A0AA82N592_SCHMA Loading...

HATPase_c domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N592, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,201 aa.

						>A0AA82N592_SCHMA|A0AA82N592
MGRPWDLSLVLSLVVVTVLACVFCDPSSLLSDIPVSRPNEGLSTASDTLTKEGEAISLDGLSVEQLKQAREHAEKRQFEAEVDRMMKIIVNSLYKNKEIFLRELISNASDALDKVRVLSLTNNEMLNESDEMSIRIKANKDARTLHIIDTGIGMTEAELTSNLGTIAKSGTSEFLTKIAQTNTASEKSDLIGQFGVGFYSSFLVANKVLVVSKSDNDDQHIWESNSTSFVVYKDPRGNTLKRGTEIVLYLTEEAEDYLQPETLKEVVKKYSQFINFPIYVWSSRVESKVVDTEEKEDSKTADSEASVEEESGKKSEGKTVENVVWDWVRVNANKPIWKRKPTDVTDKEYNELFRAYSNDNDDPLAKIHFSGEGDVLFSSILYIPKHPPTNIFQMHNTHSDRIKLYVRRVYISDAAEDLLPKYLAFVFGIVDSDELPLNVSREMLQQNKLLKMIKKRLVKKVIQMISELSESQFKNFWKEYSVNIKLGIIDDLPNRTKLSKFLRFWTSNSTENQSSLADYVSRMKNGQEDIYYLTAASIAEAKSSPFVERLIKKGYEVIYMIDPVDEYMLQSLTEYDKKKLRNVAKGTIELDKSEEAKTRKEELEKEFKPLLEWFKENLKEYVDKTALSERLSNTPCALVANEFGWSGNMERIMTAQAYQRGGDASSTYYSTMKKVFEINPRHPVMKKLNVLIKTNKDDPTISHTANLLFDVAVLRSGFSVKNPVAFAERVESVVKKSLDIDQNELLDEEPETDESEKSVTDEVNKESISNEDSTKEKSEASSQIDIHGVTEFYDNENNWTLNKTETNQFLEDNQIIESFENNITPDLLITSDCPTCRRLLGCSSRIHGHQTDRNSKVDQIDNNVDDDKDEDDYNESETTEMTNDSDNDDDDDDDGEDKDDDPRNYLGEKIYESKIKSTFRHMRKLEESKDNDNNGDVDNNTGYHECLSICASRHGKKLDLRRTPNSEDDDSKGEEDEDQLKGSTVESTTENKLVHNKNKKQLSNLKNIPEIHKNKLEADVKALNEKLQISKEHHVKYNEPKSEKITKIQNTDELYDIDEDDNDDSNDDDDDDDDDDDDGNKDHEDDIDDDQEDENEKLADNYSNDNDKHDTNKVLKPGYKKSIQNGQPPIHKTTNKKLSNDDVEDYDYDDSNDDDDGDDDTDEVGDDNENDDVHNQSNDVTSNKKVSKIDQHKNIKTTVDQFEDDEYDETDDSDPDNDIEEESEDDQPEDLDLEISPEEGYEDVDDPDYSDWIEADEELNPNWPGVRKLMAVKTTTTTPSKSKSHSETTNEHTKNKKVSSKTATNVKTISKTPSSKLSENSKTKQSKDKPSSTHHQQNQPDKLKSSTLASSKHTEDHHSKKAAHKTVPSQDKLKTPVTTNTNSKSSTQKPKPARIIGNINDHDCDGIPDDIDEDIDNDGLLDRTQDSDWDGLLNHVDEDDDNDGIPDIEDEDANGDGIPDCRSDVSDLKLKVRYKKKMRKIDSDFDGVPDDVDGDDDNDGIPDIMEDEDKDQIPDFLGLTRTDFLKGVSTKELNRRMNKRGWFDHDCDGIPDNLDPDDDNDGYFDSKQDSDRDGILNEFDDDDDNDGIPDSEDPDSNGDGIPDCIVKDSDGDHIPDHIDTDDDNDGIPDLQDPDHPNFDYLRDSDRDGIPDTLDMDDDNDGIPDSMDFDSDGDGSDDLFQDIDKDGVPDSVDDDMNNDGIPDHKQDHDCDGIPDIVDPDDDNDGYFDTKQDSDNDGLLNEWDDDDDNDGIPDVDDEDSNGDGIIDCQPHDSDNDGIPDHIDEDDDNDGIPDQRDPDSMSFLLYKHKRFLEAIPAHIARQEANLLNVDLGDPNDKDCDGIPDHIDNDLDNDGKIDRTQDSDMDGLLNHVDEDDDNDGIPDVLDPDANGDGIPDCRRDGGLHYKLVKSPSGLIKKVLRIREPTQEEQHQAYIVNEAKRKLIRIRAKLREPLPKNTIQAIPSFDFNDNMNDNPDHHNNQHQNANELKSKTKSVNSKSVQSNINSKNQNNIKHNSNNKQENGGNQNSKKTSKEGIKSTGSPSLKQSNQQQLPIKHVKEQNTVKLNNKQQNRKLAESFTPNENTDSFYSLNEDILLNIHDMNHDDDHVTTPLDNVNDDDDDDGIENDQEVNLADTNLKTSIFGSFLLPGAEASTTDEVTGLHKKNIKKMKQNEAIKMKPTDKLKSKEKQKVRRITQLNYSSIQFLI
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	36.1	Very low	33.3	Very low	193 Å²	193	142.8 Å²	142.8	95%	0.951	74%	0.74	S	S	*	*				0	41.4	0	-42.9	-167.7	-165.7	0	0	110.1	E1209	M1-E1209 WeakPolarHBondContact CA-OE2 3.33Å; M1-E1209 WeakPolarHBondContact CB-OE2 3.22Å; M1-E1209 VanDerWaalsContact N-CB 3.31Å; M1-E1209 PolarHBondContact N-OE1 2.77Å; M1-E1209 PolarHBondContact N-OE2 3.13Å
2	G	29.7	Very low	32.7	Very low	41 Å²	41	139 Å²	139	42%	0.423	74%	0.735	S	S	.	*			cis	75.6	125.6	34.5	0	0	0	0	0	111.2	D1208 E1209	G2-D1208 WeakPolarHBondContact CA-O 3.46Å; G2-E1209 PolarHBondContact N-OE1 3.02Å
3	R	36.9	Very low	32.2	Very low	222 Å²	222	139.4 Å²	139.4	84%	0.838	74%	0.736	S	S	*	*			trans	-69.2	-168.9	175.3	-82	-175	-171.8	-133.7	3.9	111	Y1207	R3-Y1207 CarbonylContact O-C 3.46Å
4	P	43.5	Very low	32.7	Very low	70 Å²	70	140.1 Å²	140.1	46%	0.455	75%	0.748	S	S	.	*				-142.5	-169.7	-50.8	40.3	-23.1	0	0	0	115.3
5	W	34.7	Very low	32.5	Very low	226 Å²	226	136.8 Å²	136.8	86%	0.856	74%	0.735	S	S	*	*			trans	80.1	117.4	138	-74.3	-7.5	0	0	0	123.8
6	D	35.6	Very low	32.4	Very low	137 Å²	137	134.9 Å²	134.9	73%	0.733	73%	0.729	S	S	*	*				86.5	157.8	123.6	-88	-32.2	0	0	0	125
7	L	30.4	Very low	32.5	Very low	160 Å²	160	134.8 Å²	134.8	84%	0.838	73%	0.734	S	S	*	*			trans	75.8	104	168.7	-63.7	130.4	0	0	0	116.7
8	S	30.8	Very low	32.9	Very low	109 Å²	109	134.6 Å²	134.6	76%	0.762	74%	0.738	S	S	*	*			cis	83.6	127.9	47.2	-164.8	0	0	0	0	116
9	L	26.3	Very low	32.7	Very low	138 Å²	138	134.1 Å²	134.1	72%	0.723	73%	0.733	S	S	*	*			trans	75.8	71.9	153.4	-143.4	171	0	0	0	119.8	L11	L9-L11 HydrophobicContact CD2-CB 4.32Å
10	V	34.5	Very low	32.4	Very low	145 Å²	145	131.8 Å²	131.8	88%	0.879	73%	0.733	S	S	*	*			trans	-137.7	84.2	142.3	-173.1	0	0	0	0	109.4
11	L	27.2	Very low	32.2	Very low	130 Å²	130	131.4 Å²	131.4	68%	0.681	74%	0.738	S	S	*	*				74.8	88.6	78	-167.1	75.8	0	0	0	115.3	L9	L9-L11 HydrophobicContact CD2-CB 4.32Å
12	S	26.4	Very low	32	Very low	97 Å²	97	128.1 Å²	128.1	68%	0.678	73%	0.728	S	S	*	*			trans	80.2	141.4	136.8	-65.1	0	0	0	0	123.2
13	L	26.8	Very low	31.9	Very low	144 Å²	144	133 Å²	133	75%	0.754	74%	0.738	S	S	*	*			trans	83.8	67	143.6	-100.4	88.7	0	0	0	121.1	V15	L13-V15 HydrophobicContact CB-CG2 3.94Å; L13-V15 HydrophobicContact CD2-CG2 3.92Å; L13-V15 HydrophobicContact CG-CG2 3.56Å
14	V	38.2	Very low	31.4	Very low	150 Å²	150	128.1 Å²	128.1	91%	0.909	74%	0.737	S	S	*	*			trans	-134.7	85.5	133.7	-176	0	0	0	0	107.5
15	V	30.7	Very low	30.7	Very low	90 Å²	90	131.4 Å²	131.4	55%	0.545	75%	0.75	S	S	.	*				78.1	86.4	59.4	-173.2	0	0	0	0	114.4	L13	L13-V15 HydrophobicContact CB-CG2 3.94Å; L13-V15 HydrophobicContact CD2-CG2 3.92Å; L13-V15 HydrophobicContact CG-CG2 3.56Å
16	V	31.1	Very low	30.5	Very low	107 Å²	107	126 Å²	126	65%	0.648	75%	0.745	S	S	*	*			trans	52.8	95.6	135.3	-172.1	0	0	0	0	118.1	L19	V16-L19 HydrophobicContact CG1-CD1 3.85Å
17	T	33.8	Very low	30.2	Very low	132 Å²	132	124.2 Å²	124.2	81%	0.81	74%	0.743	S	S	*	*			trans	-179.5	128.9	138.8	15.3	0	0	0	0	106.9
18	V	39.3	Very low	30.1	Very low	131 Å²	131	122 Å²	122	79%	0.794	74%	0.741	S	S	*	*			cis	-136.5	131.7	5.4	176.9	0	0	0	0	106.4
19	L	28.5	Very low	30	Very low	126 Å²	126	124.7 Å²	124.7	66%	0.66	75%	0.746	S	S	*	*			cis	87.4	85.9	21.5	-156.9	134.5	0	0	0	116.5	V16	V16-L19 HydrophobicContact CG1-CD1 3.85Å
20	A	28.2	Very low	30.3	Very low	88 Å²	88	125.7 Å²	125.7	73%	0.727	75%	0.751	S	S	*	*			trans	58.1	109.3	146.9	0	0	0	0	0	120.9
21	C	27.7	Very low	30.1	Very low	123 Å²	123	123.2 Å²	123.2	83%	0.831	74%	0.74	S	S	*	*			trans	-153.6	120	134.6	-91.2	0	0	0	0	106.9
22	V	32.8	Very low	30.4	Very low	124 Å²	124	123.5 Å²	123.5	75%	0.752	74%	0.742	S	S	*	*				98.3	125.3	61.8	158.2	0	0	0	0	111.3
23	F	26.7	Very low	30.8	Very low	145 Å²	145	125.7 Å²	125.7	64%	0.636	75%	0.745	S	S	*	*			trans	-26.4	140.5	163.6	-59	-105.1	0	0	0	115.5
24	C	26	Very low	31.1	Very low	119 Å²	119	124.4 Å²	124.4	80%	0.804	75%	0.745	S	S	*	*				170	153.6	116.7	-91.6	0	0	0	0	112.1
25	D	28.4	Very low	30.8	Very low	138 Å²	138	122.6 Å²	122.6	74%	0.738	73%	0.734	S	S	*	*			trans	-49.8	159.1	151.7	-57.8	-95.4	0	0	0	112
26	P	32.1	Very low	31	Very low	114 Å²	114	123.9 Å²	123.9	74%	0.74	75%	0.747	S	S	*	*				-137.2	65.2	121.6	38.6	-28.2	0	0	0	113.7	S28	P26-S28 PolarHBondContact O-N 2.8Å
27	S	29	Very low	31	Very low	99 Å²	99	130 Å²	130	69%	0.692	76%	0.758	S	S	*	*	S	Bend	trans	-57.4	117.1	140.5	-85.4	0	0	0	0	108.3
28	S	27.4	Very low	31.1	Very low	114 Å²	114	129 Å²	129	80%	0.797	76%	0.755	S	S	*	*			trans	68.5	97.1	-177.6	76	0	0	0	0	118	P26	P26-S28 PolarHBondContact O-N 2.8Å
29	L	29.7	Very low	30.9	Very low	165 Å²	165	129.6 Å²	129.6	86%	0.864	75%	0.753	S	S	*	*			trans	-145.7	88.4	137	-126.9	174.1	0	0	0	112.5
30	L	32.3	Very low	31	Very low	158 Å²	158	132.5 Å²	132.5	83%	0.827	76%	0.763	S	S	*	*			trans	-69.4	158.8	171.5	-166.1	69.9	0	0	0	110.9
31	S	30.1	Very low	31.2	Very low	93 Å²	93	132 Å²	132	65%	0.65	77%	0.767	S	S	*	*			trans	89.4	108.1	167.8	74.4	0	0	0	0	120.1
32	D	33.7	Very low	31.7	Very low	136 Å²	136	133.9 Å²	133.9	73%	0.727	77%	0.768	S	S	*	*				86	110.5	121.7	-69.2	-5.6	0	0	0	124
33	I	35	Very low	31.9	Very low	144 Å²	144	133.3 Å²	133.3	74%	0.738	77%	0.769	S	S	*	*				80.7	133.3	123.8	-67	170.8	0	0	0	118.8
34	P	32.9	Very low	32.3	Very low	117 Å²	117	132.8 Å²	132.8	76%	0.76	78%	0.778	S	S	*	*			cis	-145.7	177.6	-23.7	41.5	-21.5	0	0	0	117.4
35	V	31	Very low	33.1	Very low	112 Å²	112	129.4 Å²	129.4	68%	0.679	76%	0.759	S	S	*	*			trans	-54.2	139.3	171	175.9	0	0	0	0	116.5	R37	V35-R37 HydrophobicContact CG1-CG 3.91Å
36	S	35.2	Very low	33.9	Very low	117 Å²	117	127 Å²	127	82%	0.818	75%	0.753	S	S	*	*			trans	-172.6	90.5	143.4	-79.9	0	0	0	0	110.9
37	R	31.7	Very low	34.7	Very low	234 Å²	234	127.4 Å²	127.4	88%	0.883	75%	0.749	S	S	*	*				68.9	143.6	85.5	-78	-164.1	177.8	-144	-1.2	116.7	V35	V35-R37 HydrophobicContact CG1-CG 3.91Å
38	P	36.1	Very low	35.7	Very low	112 Å²	112	125.8 Å²	125.8	73%	0.727	74%	0.735	S	S	*	*			trans	-116.4	-176.1	-147.6	42.9	-32.1	0	0	0	115.1
39	N	34.1	Very low	36.6	Very low	143 Å²	143	126.1 Å²	126.1	77%	0.765	73%	0.727	S	S	*	*			trans	-161.9	112.6	155.6	-88.4	-36.8	0	0	0	108.3
40	E	31.1	Very low	37.6	Very low	187 Å²	187	122 Å²	122	87%	0.874	71%	0.709	S	S	*	*				84.1	105.6	90.2	-78.7	-170.1	177.5	0	0	115
41	G	33.3	Very low	38.5	Very low	78 Å²	78	121.2 Å²	121.2	80%	0.804	70%	0.699	S	S	*	*			trans	138	123.2	173.3	0	0	0	0	0	112.1
42	L	36.5	Very low	39.3	Very low	162 Å²	162	122.2 Å²	122.2	85%	0.848	69%	0.693	S	S	*	*			cis	-153.9	94.2	7.2	-176.7	68.5	0	0	0	113.7	T44	L42-T44 PolarHBondContact O-N 2.87Å
43	S	36.8	Very low	40.1	Very low	112 Å²	112	117.8 Å²	117.8	78%	0.783	68%	0.68	S	S	*	*			trans	57.5	54.3	136.2	-168.4	0	0	0	0	120.5
44	T	36	Very low	40.8	Very low	134 Å²	134	115 Å²	115	82%	0.822	66%	0.663	S	S	*	*	S	Bend	trans	-141	-37	149.8	42.3	0	0	0	0	113.8	L42 S46	L42-T44 PolarHBondContact O-N 2.87Å; T44-S46 PolarHBondContact O-N 2.99Å
45	A	43.7	Very low	41.7	Very low	49 Å²	49	112.1 Å²	112.1	41%	0.405	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.7	26.7	-175.9	0	0	0	0	0	115.8	T48 L49	A45-T48 PolarHBondContact O-OG1 2.9Å; A45-L49 WeakPolarHBondContact O-CB 3.36Å; A45-L49 WeakPolarHBondContact O-CD1 3.35Å; A45-L49 PolarHBondContact O-N 3.25Å
46	S	43.9	Very low	42.6	Very low	86 Å²	86	114.3 Å²	114.3	60%	0.601	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-29.7	-179.5	-166.5	0	0	0	0	113.2	T44	T44-S46 PolarHBondContact O-N 2.99Å
47	D	49.5	Very low	43.4	Very low	123 Å²	123	110.4 Å²	110.4	66%	0.658	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-20.4	-179.9	-59.5	-3.9	0	0	0	110.6	T50 K51	D47-T50 WeakPolarHBondContact CA-OG1 3.27Å; D47-T50 PolarHBondContact O-OG1 3.49Å; D47-K51 PolarHBondContact O-N 3.3Å
48	T	50.3	Low	44.6	Very low	66 Å²	66	106.4 Å²	106.4	41%	0.405	62%	0.624	S	S	.	*	H	α-helix	trans	-75.3	-47.5	171.1	73.2	0	0	0	0	110	A45 T50 K51 E52	A45-T48 PolarHBondContact O-OG1 2.9Å; T48-T50 PolarHBondContact O-N 3.01Å; T48-K51 CarbonylContact O-C 3.43Å; T48-K51 WeakPolarHBondContact O-CA 3.46Å; T48-K51 PolarHBondContact O-N 3.19Å; T48-E52 WeakPolarHBondContact CB-OE1 3.27Å; T48-E52 WeakPolarHBondContact O-CB 3.47Å; T48-E52 WeakPolarHBondContact O-CG 3.35Å; T48-E52 PolarHBondContact O-N 3.47Å; T48-E52 PolarHBondContact OG1-OE1 2.74Å
49	L	45.4	Very low	45.6	Very low	121 Å²	121	104.8 Å²	104.8	63%	0.634	61%	0.609	S	S	*	*	H	α-helix	trans	-62.5	-8.4	175.2	-82.1	165.3	0	0	0	115.4	A45 E52	A45-L49 WeakPolarHBondContact O-CB 3.36Å; A45-L49 WeakPolarHBondContact O-CD1 3.35Å; A45-L49 PolarHBondContact O-N 3.25Å; L49-E52 VanDerWaalsContact CD2-OE2 3.29Å; L49-E52 WeakPolarHBondContact CD2-OE2 3.14Å; L49-E52 PolarHBondContact N-OE1 2.73Å
50	T	50.1	Low	47.1	Very low	79 Å²	79	101 Å²	101	49%	0.485	60%	0.604	S	S	.	*	H	α-helix	trans	-94	-39.6	164.5	46.3	0	0	0	0	112.3	D47 T48 E52 G53 E54	D47-T50 WeakPolarHBondContact CA-OG1 3.27Å; D47-T50 PolarHBondContact O-OG1 3.49Å; T48-T50 PolarHBondContact O-N 3.01Å; T50-E52 VanDerWaalsContact C-N 3.33Å; T50-E52 PolarHBondContact O-N 2.84Å; T50-G53 CarbonylContact O-C 3.49Å; T50-G53 WeakPolarHBondContact O-CA 3.43Å; T50-G53 PolarHBondContact O-N 2.86Å; T50-E54 PolarHBondContact O-N 3.49Å
51	K	53.1	Low	48.6	Very low	140 Å²	140	94 Å²	94	61%	0.609	57%	0.573	S	S	*	*	H	α-helix	trans	-65.7	-31.8	172	-81.3	-172.3	130.3	-66.6	0	113.6	D47 T48 G53 E54 A55	D47-K51 PolarHBondContact O-N 3.3Å; T48-K51 CarbonylContact O-C 3.43Å; T48-K51 WeakPolarHBondContact O-CA 3.46Å; T48-K51 PolarHBondContact O-N 3.19Å; K51-G53 PolarHBondContact O-N 2.89Å; K51-E54 CarbonylContact O-C 3.36Å; K51-E54 VanDerWaalsContact O-C 3.26Å; K51-E54 WeakPolarHBondContact O-CA 3.23Å; K51-E54 PolarHBondContact O-N 2.86Å; K51-A55 PolarHBondContact O-N 2.75Å
52	E	46.7	Very low	50.3	Low	115 Å²	115	90.8 Å²	90.8	54%	0.537	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-10.5	171.6	-66.7	156.9	-135.2	0	0	112	T48 L49 T50	T48-E52 WeakPolarHBondContact CB-OE1 3.27Å; T48-E52 WeakPolarHBondContact O-CB 3.47Å; T48-E52 WeakPolarHBondContact O-CG 3.35Å; T48-E52 PolarHBondContact O-N 3.47Å; T48-E52 PolarHBondContact OG1-OE1 2.74Å; L49-E52 VanDerWaalsContact CD2-OE2 3.29Å; L49-E52 WeakPolarHBondContact CD2-OE2 3.14Å; L49-E52 PolarHBondContact N-OE1 2.73Å; T50-E52 VanDerWaalsContact C-N 3.33Å; T50-E52 PolarHBondContact O-N 2.84Å
53	G	50.1	Low	51.8	Low	43 Å²	43	86.4 Å²	86.4	44%	0.443	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	2.3	167.7	0	0	0	0	0	114	T50 K51	T50-G53 CarbonylContact O-C 3.49Å; T50-G53 WeakPolarHBondContact O-CA 3.43Å; T50-G53 PolarHBondContact O-N 2.86Å; K51-G53 PolarHBondContact O-N 2.89Å
54	E	49.1	Very low	53.3	Low	84 Å²	84	87 Å²	87	39%	0.393	51%	0.508	S	S	.	.	S	Bend	trans	-115.4	9.5	169.4	-64	168.6	174.2	0	0	110.3	T50 K51 I56 T2057	T50-E54 PolarHBondContact O-N 3.49Å; K51-E54 CarbonylContact O-C 3.36Å; K51-E54 VanDerWaalsContact O-C 3.26Å; K51-E54 WeakPolarHBondContact O-CA 3.23Å; K51-E54 PolarHBondContact O-N 2.86Å; E54-I56 PolarHBondContact O-N 2.96Å; E54-T2057 HydrophobicContact CG-CG2 4.08Å; E54-T2057 WeakPolarHBondContact OE1-CG2 3.1Å
55	A	51.7	Low	54.9	Low	58 Å²	58	82.9 Å²	82.9	48%	0.479	48%	0.48	S	S	.	.	S	Bend	trans	-65.5	127.1	165.9	0	0	0	0	0	106.9	K51	K51-A55 PolarHBondContact O-N 2.75Å
56	I	51.3	Low	56.2	Low	158 Å²	158	81.2 Å²	81.2	81%	0.81	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-63.5	138.7	178.1	-62.3	168.6	0	0	0	107.1	E54	E54-I56 PolarHBondContact O-N 2.96Å
57	S	51.9	Low	57.8	Low	35 Å²	35	83 Å²	83	25%	0.245	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-95.6	121.7	163.3	-155.1	0	0	0	0	104.6	D59 L66	S57-D59 PolarHBondContact O-N 3.05Å; S57-D59 PolarHBondContact OG-OD2 2.84Å; S57-L66 WeakPolarHBondContact OG-CD1 3.42Å
58	L	55.2	Low	59.1	Low	149 Å²	149	82.3 Å²	82.3	78%	0.78	45%	0.453	S	S	*	.	S	Bend	trans	-72.2	75.7	178.1	-157.5	168.6	0	0	0	106.4
59	D	58.1	Low	60.3	Low	78 Å²	78	81.4 Å²	81.4	42%	0.417	45%	0.453	S	S	.	.	S	Bend	trans	179.7	4.3	-149.7	-152.1	-8	0	0	0	111.4	S57 L61 L66	S57-D59 PolarHBondContact O-N 3.05Å; S57-D59 PolarHBondContact OG-OD2 2.84Å; D59-L61 WeakPolarHBondContact O-CB 3.07Å; D59-L61 VanDerWaalsContact O-CG 3.25Å; D59-L61 WeakPolarHBondContact O-CG 3.23Å; D59-L61 PolarHBondContact O-N 2.89Å; D59-L66 VanDerWaalsContact OD2-CD1 3.25Å; D59-L66 WeakPolarHBondContact OD2-CD1 3.07Å
60	G	65.1	Low	61.7	Low	64 Å²	64	84.5 Å²	84.5	66%	0.66	46%	0.456	S	S	*	.	S	Bend	trans	54.3	-22.3	-159.7	0	0	0	0	0	117	S62 L2060	G60-S62 PolarHBondContact O-N 2.82Å; G60-L2060 WeakPolarHBondContact O-CD2 3.29Å; G60-L2060 VanDerWaalsContact O-CG 3.26Å; G60-L2060 WeakPolarHBondContact O-CG 3.29Å
61	L	63.8	Low	63.2	Low	41 Å²	41	87.3 Å²	87.3	22%	0.215	46%	0.463	C	S	.	.			trans	-95.8	105.7	-152.9	-76.8	164.7	0	0	0	112.8	D59 V63 L66 L2060	D59-L61 WeakPolarHBondContact O-CB 3.07Å; D59-L61 VanDerWaalsContact O-CG 3.25Å; D59-L61 WeakPolarHBondContact O-CG 3.23Å; D59-L61 PolarHBondContact O-N 2.89Å; L61-V63 PolarHBondContact O-N 3.24Å; L61-L66 HydrophobicContact CB-CB 3.81Å; L61-L66 HydrophobicContact CB-CD1 4.08Å; L61-L66 HydrophobicContact CB-CG 3.71Å; L61-L66 HydrophobicContact CD1-CG 4.32Å; L61-L66 WeakPolarHBondContact O-CB 3.15Å; L61-L66 WeakPolarHBondContact O-CD1 3.5Å; L61-L2060 HydrophobicContact CB-CD1 4.44Å; L61-L2060 HydrophobicContact CD2-CD1 3.75Å; L61-L2060 HydrophobicContact CD2-CD2 4.02Å; L61-L2060 HydrophobicContact CD2-CG 4.43Å
62	S	67.1	Low	64.5	Low	9 Å²	9	88.3 Å²	88.3	6%	0.063	47%	0.47	C	S	.	.			trans	-50.5	140.6	173.2	81.9	0	0	0	0	113.1	G60 E64 Q65 L66 V2058 K2059 L2060	G60-S62 PolarHBondContact O-N 2.82Å; S62-E64 PolarHBondContact O-N 2.63Å; S62-Q65 CarbonylContact O-C 3.26Å; S62-Q65 WeakPolarHBondContact O-CA 3.16Å; S62-Q65 PolarHBondContact O-N 3.48Å; S62-L66 WeakPolarHBondContact O-CB 3.35Å; S62-L66 PolarHBondContact O-N 3.09Å; S62-V2058 VanDerWaalsContact CB-CG1 3.41Å; S62-K2059 WeakPolarHBondContact OG-CE 3.19Å; S62-K2059 VanDerWaalsContact OG-CG 3.22Å; S62-K2059 WeakPolarHBondContact OG-CG 3.05Å; S62-L2060 VanDerWaalsContact N-CD1 3.35Å
63	V	68.3	Low	66.1	Low	70 Å²	70	86 Å²	86	42%	0.424	47%	0.47	S	S	.	.	H	α-helix	trans	-50	-32.6	-173.4	-173.6	0	0	0	0	115.1	L61 K67	L61-V63 PolarHBondContact O-N 3.24Å; V63-K67 WeakPolarHBondContact O-CB 2.91Å; V63-K67 PolarHBondContact O-N 3.2Å
64	E	68.5	Low	67.7	Low	124 Å²	124	90.8 Å²	90.8	58%	0.579	48%	0.481	S	S	*	.	H	α-helix	trans	-77.5	-31.5	175.7	-77.4	-169.4	146.4	0	0	114.1	S62 Q68 K2059	S62-E64 PolarHBondContact O-N 2.63Å; E64-Q68 WeakPolarHBondContact O-CG 3.22Å; E64-Q68 PolarHBondContact O-N 2.72Å; E64-Q68 PolarHBondContact O-NE2 2.74Å; E64-K2059 IonicContact OE2-NZ 2.94Å; E64-K2059 PolarHBondContact OE2-NZ 2.98Å
65	Q	70.7	Confident	69.4	Low	49 Å²	49	96.8 Å²	96.8	23%	0.229	51%	0.506	C	S	.	.	H	α-helix	trans	-86.7	-40.8	178	-66.4	-154	50.1	0	0	111.3	S62 K67 Q68 A69 L2060 N2061	S62-Q65 CarbonylContact O-C 3.26Å; S62-Q65 WeakPolarHBondContact O-CA 3.16Å; S62-Q65 PolarHBondContact O-N 3.48Å; Q65-K67 PolarHBondContact O-N 2.95Å; Q65-Q68 CarbonylContact O-C 3.6Å; Q65-Q68 WeakPolarHBondContact O-CA 3.39Å; Q65-Q68 PolarHBondContact O-N 3.05Å; Q65-A69 WeakPolarHBondContact O-CB 3.36Å; Q65-A69 PolarHBondContact O-N 3.19Å; Q65-L2060 HydrophobicContact CB-CD1 3.31Å; Q65-L2060 HydrophobicContact CG-CD1 3.67Å; Q65-L2060 PolarHBondContact NE2-O 3.2Å; Q65-N2061 PolarHBondContact OE1-ND2 3.47Å
66	L	70.9	Confident	71	Confident	13 Å²	13	103.7 Å²	103.7	7%	0.068	52%	0.52	C	S	.	.	H	α-helix	trans	-53.9	-40.3	168.3	-150.2	177.4	0	0	0	110.4	S57 D59 L61 S62 R70	S57-L66 WeakPolarHBondContact OG-CD1 3.42Å; D59-L66 VanDerWaalsContact OD2-CD1 3.25Å; D59-L66 WeakPolarHBondContact OD2-CD1 3.07Å; L61-L66 HydrophobicContact CB-CB 3.81Å; L61-L66 HydrophobicContact CB-CD1 4.08Å; L61-L66 HydrophobicContact CB-CG 3.71Å; L61-L66 HydrophobicContact CD1-CG 4.32Å; L61-L66 WeakPolarHBondContact O-CB 3.15Å; L61-L66 WeakPolarHBondContact O-CD1 3.5Å; S62-L66 WeakPolarHBondContact O-CB 3.35Å; S62-L66 PolarHBondContact O-N 3.09Å; L66-R70 VanDerWaalsContact CD2-CD 3.5Å; L66-R70 HydrophobicContact CD2-CG 3.93Å; L66-R70 WeakPolarHBondContact O-CB 3.14Å; L66-R70 WeakPolarHBondContact O-CG 3.05Å; L66-R70 PolarHBondContact O-N 2.68Å
67	K	77	Confident	72.7	Confident	124 Å²	124	104.4 Å²	104.4	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-66.6	-39.6	171.4	-179.8	174.3	172.3	-177.8	0	113.8	V63 Q65 R70 E71	V63-K67 WeakPolarHBondContact O-CB 2.91Å; V63-K67 PolarHBondContact O-N 3.2Å; Q65-K67 PolarHBondContact O-N 2.95Å; K67-R70 PolarHBondContact O-N 3.12Å; K67-E71 WeakPolarHBondContact CE-OE1 3.29Å; K67-E71 IonicContact NZ-OE1 3.96Å; K67-E71 WeakPolarHBondContact O-CB 3.04Å; K67-E71 WeakPolarHBondContact O-CG 3.46Å; K67-E71 PolarHBondContact O-N 2.85Å
68	Q	77.1	Confident	74.3	Confident	109 Å²	109	113.2 Å²	113.2	51%	0.509	55%	0.554	S	S	.	*	H	α-helix	trans	-67.7	-40	175.5	-79.1	166.1	86.4	0	0	111.5	E64 Q65 E71 H72	E64-Q68 WeakPolarHBondContact O-CG 3.22Å; E64-Q68 PolarHBondContact O-N 2.72Å; E64-Q68 PolarHBondContact O-NE2 2.74Å; Q65-Q68 CarbonylContact O-C 3.6Å; Q65-Q68 WeakPolarHBondContact O-CA 3.39Å; Q65-Q68 PolarHBondContact O-N 3.05Å; Q68-E71 CarbonylContact O-C 3.48Å; Q68-E71 PolarHBondContact O-N 3.48Å; Q68-H72 WeakPolarHBondContact O-CB 3.03Å; Q68-H72 PolarHBondContact O-CD2 3.47Å; Q68-H72 PolarHBondContact O-N 2.69Å
69	A	75.1	Confident	75.7	Confident	47 Å²	47	115.3 Å²	115.3	39%	0.388	56%	0.56	S	S	.	*	H	α-helix	trans	-59	-51.5	170.9	0	0	0	0	0	110.5	Q65 E71 H72 A73	Q65-A69 WeakPolarHBondContact O-CB 3.36Å; Q65-A69 PolarHBondContact O-N 3.19Å; A69-E71 VanDerWaalsContact C-N 3.27Å; A69-E71 PolarHBondContact O-N 2.82Å; A69-H72 CarbonylContact O-C 3.59Å; A69-H72 WeakPolarHBondContact O-CA 3.13Å; A69-H72 PolarHBondContact O-N 2.94Å; A69-A73 VanDerWaalsContact O-CB 3.31Å; A69-A73 WeakPolarHBondContact O-CB 3.43Å; A69-A73 PolarHBondContact O-N 2.84Å
70	R	75.6	Confident	76.9	Confident	186 Å²	186	114.8 Å²	114.8	70%	0.702	57%	0.567	S	S	*	*	H	α-helix	trans	-65.7	-20.5	174.8	-72	179.8	179	163.7	7.7	114.4	L66 K67	L66-R70 VanDerWaalsContact CD2-CD 3.5Å; L66-R70 HydrophobicContact CD2-CG 3.93Å; L66-R70 WeakPolarHBondContact O-CB 3.14Å; L66-R70 WeakPolarHBondContact O-CG 3.05Å; L66-R70 PolarHBondContact O-N 2.68Å; K67-R70 PolarHBondContact O-N 3.12Å
71	E	81.8	Confident	77.9	Confident	137 Å²	137	116.6 Å²	116.6	64%	0.64	56%	0.558	S	S	*	*	H	α-helix	trans	-84.1	-14.7	169.5	-77.6	-177.6	-166.8	0	0	113.1	K67 Q68 A69	K67-E71 WeakPolarHBondContact CE-OE1 3.29Å; K67-E71 IonicContact NZ-OE1 3.96Å; K67-E71 WeakPolarHBondContact O-CB 3.04Å; K67-E71 WeakPolarHBondContact O-CG 3.46Å; K67-E71 PolarHBondContact O-N 2.85Å; Q68-E71 CarbonylContact O-C 3.48Å; Q68-E71 PolarHBondContact O-N 3.48Å; A69-E71 VanDerWaalsContact C-N 3.27Å; A69-E71 PolarHBondContact O-N 2.82Å
72	H	80.1	Confident	78.9	Confident	162 Å²	162	118.6 Å²	118.6	75%	0.75	57%	0.571	S	S	*	*	H	α-helix	trans	-107.8	-16.1	175.9	-78.5	-59.6	0	0	0	114.7	Q68 A69 E74	Q68-H72 WeakPolarHBondContact O-CB 3.03Å; Q68-H72 PolarHBondContact O-CD2 3.47Å; Q68-H72 PolarHBondContact O-N 2.69Å; A69-H72 CarbonylContact O-C 3.59Å; A69-H72 WeakPolarHBondContact O-CA 3.13Å; A69-H72 PolarHBondContact O-N 2.94Å; H72-E74 PolarHBondContact O-N 2.75Å
73	A	79.1	Confident	79.7	Confident	66 Å²	66	122.2 Å²	122.2	55%	0.545	59%	0.59	S	S	.	*			trans	-68.4	119.4	-175.2	0	0	0	0	0	112.3	A69 K75	A69-A73 VanDerWaalsContact O-CB 3.31Å; A69-A73 WeakPolarHBondContact O-CB 3.43Å; A69-A73 PolarHBondContact O-N 2.84Å; A73-K75 PolarHBondContact O-N 2.73Å
74	E	85.3	Confident	80.6	Confident	144 Å²	144	123.5 Å²	123.5	67%	0.673	59%	0.587	S	S	*	*			trans	-78.6	107.2	169.9	-65.4	-171.1	151.6	0	0	109.8	H72 R76	H72-E74 PolarHBondContact O-N 2.75Å; E74-R76 PolarHBondContact O-N 3.03Å; E74-R76 IonicContact OE2-CZ 2.91Å; E74-R76 IonicContact OE2-NE 3.86Å; E74-R76 IonicContact OE2-NH2 2.74Å; E74-R76 PolarHBondContact OE2-NH2 3.49Å
75	K	83.9	Confident	81.4	Confident	210 Å²	210	120.4 Å²	120.4	91%	0.913	57%	0.574	S	S	*	*			trans	-67.3	107.8	169.2	-68.9	-157.8	173.1	-145.5	0	110	A73	A73-K75 PolarHBondContact O-N 2.73Å
76	R	85.9	Confident	82.1	Confident	202 Å²	202	118.7 Å²	118.7	76%	0.762	57%	0.566	S	S	*	*			trans	-91.6	167.8	169.1	-62.1	179.7	-175	176.9	2.3	109.5	E74	E74-R76 PolarHBondContact O-N 3.03Å; E74-R76 IonicContact OE2-CZ 2.91Å; E74-R76 IonicContact OE2-NE 3.86Å; E74-R76 IonicContact OE2-NH2 2.74Å; E74-R76 PolarHBondContact OE2-NH2 3.49Å
77	Q	86.5	Confident	82.8	Confident	174 Å²	174	124.8 Å²	124.8	81%	0.813	59%	0.592	S	S	*	*			trans	-114	143.5	169	-57.7	-172	-93	0	0	106.5	E79	Q77-E79 PolarHBondContact O-N 2.75Å
78	F	85.9	Confident	83.3	Confident	220 Å²	220	122.9 Å²	122.9	97%	0.965	59%	0.586	S	S	*	*			trans	-64.6	127.7	169.7	-66.1	-83	0	0	0	108.6
79	E	84.1	Confident	83.7	Confident	192 Å²	192	118.1 Å²	118.1	90%	0.897	57%	0.565	S	S	*	*			trans	-104.6	145.9	170.2	-62.4	-173.1	177	0	0	107.3	Q77	Q77-E79 PolarHBondContact O-N 2.75Å
80	A	82.7	Confident	84.1	Confident	68 Å²	68	117.1 Å²	117.1	56%	0.562	55%	0.554	S	S	*	*			trans	-127.7	131.1	-177.1	0	0	0	0	0	110	V82 M85	A80-V82 PolarHBondContact O-N 2.85Å; A80-M85 HydrophobicContact CB-CE 4.05Å
81	E	86.5	Confident	84.5	Confident	102 Å²	102	114.2 Å²	114.2	48%	0.477	55%	0.552	S	S	.	*			trans	-75.8	95.7	175.9	-165.7	179.8	150	0	0	109.8	D83 R84 M85	E81-D83 PolarHBondContact O-N 2.78Å; E81-D83 VanDerWaalsContact O-N 3.15Å; E81-R84 HydrophobicContact CB-CB 4.37Å; E81-R84 HydrophobicContact CG-CB 4.49Å; E81-R84 HydrophobicContact CG-CG 4.32Å; E81-R84 PolarHBondContact O-N 2.99Å; E81-R84 VanDerWaalsContact O-N 3.13Å; E81-R84 IonicContact OE1-NE 2.68Å; E81-R84 IonicContact OE2-CZ 2.83Å; E81-R84 VanDerWaalsContact OE2-CZ 3.29Å; E81-R84 IonicContact OE2-NE 3.33Å; E81-R84 PolarHBondContact OE2-NE 2.76Å; E81-R84 IonicContact OE2-NH2 3.49Å; E81-R84 PolarHBondContact OE2-NH2 2.73Å; E81-M85 PolarHBondContact O-N 3.08Å
82	V	84.6	Confident	84.6	Confident	82 Å²	82	112 Å²	112	50%	0.497	55%	0.552	S	S	.	*	H	α-helix	trans	-52	-38.1	-176.4	173.3	0	0	0	0	112.4	A80 M86 I166	A80-V82 PolarHBondContact O-N 2.85Å; V82-M86 HydrophobicContact CG1-CG 4.44Å; V82-M86 WeakPolarHBondContact O-CB 3.26Å; V82-M86 VanDerWaalsContact O-CG 3.31Å; V82-M86 WeakPolarHBondContact O-CG 3.45Å; V82-M86 PolarHBondContact O-N 3.27Å; V82-I166 HydrophobicContact CG1-CD1 3.94Å
83	D	85.2	Confident	84.8	Confident	86 Å²	86	106.3 Å²	106.3	46%	0.46	53%	0.527	S	S	.	.	H	α-helix	trans	-72.7	-37.2	-178.5	-69.5	-32.9	0	0	0	112.9	E81 K87	E81-D83 PolarHBondContact O-N 2.78Å; E81-D83 VanDerWaalsContact O-N 3.15Å; D83-K87 WeakPolarHBondContact O-CG 2.96Å; D83-K87 PolarHBondContact O-N 3.47Å
84	R	86.7	Confident	85	Confident	97 Å²	97	104 Å²	104	37%	0.366	50%	0.504	S	S	.	.	H	α-helix	trans	-68.6	-45.8	170	-72.3	-167.4	-136.8	-171.5	15.6	111.3	E81 M86 K87 I88 E2071	E81-R84 HydrophobicContact CB-CB 4.37Å; E81-R84 HydrophobicContact CG-CB 4.49Å; E81-R84 HydrophobicContact CG-CG 4.32Å; E81-R84 PolarHBondContact O-N 2.99Å; E81-R84 VanDerWaalsContact O-N 3.13Å; E81-R84 IonicContact OE1-NE 2.68Å; E81-R84 IonicContact OE2-CZ 2.83Å; E81-R84 VanDerWaalsContact OE2-CZ 3.29Å; E81-R84 IonicContact OE2-NE 3.33Å; E81-R84 PolarHBondContact OE2-NE 2.76Å; E81-R84 IonicContact OE2-NH2 3.49Å; E81-R84 PolarHBondContact OE2-NH2 2.73Å; R84-M86 VanDerWaalsContact C-N 3.28Å; R84-M86 PolarHBondContact O-N 3.36Å; R84-K87 WeakPolarHBondContact O-CA 3.25Å; R84-K87 WeakPolarHBondContact O-CB 3.25Å; R84-K87 PolarHBondContact O-N 2.72Å; R84-I88 PolarHBondContact O-N 3.42Å; R84-E2071 IonicContact CZ-OE2 2.72Å; R84-E2071 IonicContact NH1-OE2 2.89Å; R84-E2071 PolarHBondContact NH1-OE2 2.73Å; R84-E2071 IonicContact NH2-OE1 2.55Å; R84-E2071 IonicContact NH2-OE2 3.66Å; R84-E2071 PolarHBondContact NH2-OE2 3.04Å
85	M	85.5	Confident	84.9	Confident	59 Å²	59	106.1 Å²	106.1	29%	0.291	51%	0.511	S	S	.	.	H	α-helix	trans	-60.6	-37	178.9	-178.3	167.9	47.9	0	0	112.1	A80 E81 I88 I89 I166	A80-M85 HydrophobicContact CB-CE 4.05Å; E81-M85 PolarHBondContact O-N 3.08Å; M85-I88 PolarHBondContact O-N 2.82Å; M85-I89 HydrophobicContact CG-CD1 3.87Å; M85-I89 WeakPolarHBondContact O-CB 3.37Å; M85-I89 WeakPolarHBondContact O-CD1 3.38Å; M85-I89 VanDerWaalsContact O-CG1 3.23Å; M85-I89 WeakPolarHBondContact O-CG1 2.82Å; M85-I89 PolarHBondContact O-N 2.92Å; M85-I89 VanDerWaalsContact O-N 3.1Å; M85-I166 HydrophobicContact CE-CB 4.03Å; M85-I166 HydrophobicContact CE-CD1 3.84Å; M85-I166 HydrophobicContact CE-CG2 3.97Å; M85-I166 HydrophobicContact CG-CG2 4.24Å; M85-I166 HydrophobicContact SD-CG2 3.81Å
86	M	84.5	Confident	85.1	Confident	13 Å²	13	99.6 Å²	99.6	6%	0.064	49%	0.486	C	S	.	.	H	α-helix	trans	-65.6	-34.8	172.1	-81.3	-60.4	-55.9	0	0	113.3	V82 R84 V90 I166 Y199 F202	V82-M86 HydrophobicContact CG1-CG 4.44Å; V82-M86 WeakPolarHBondContact O-CB 3.26Å; V82-M86 VanDerWaalsContact O-CG 3.31Å; V82-M86 WeakPolarHBondContact O-CG 3.45Å; V82-M86 PolarHBondContact O-N 3.27Å; R84-M86 VanDerWaalsContact C-N 3.28Å; R84-M86 PolarHBondContact O-N 3.36Å; M86-V90 HydrophobicContact CE-CG2 4.41Å; M86-V90 VanDerWaalsContact O-CG2 3.27Å; M86-V90 WeakPolarHBondContact O-CG2 2.88Å; M86-V90 PolarHBondContact O-N 3.33Å; M86-I166 HydrophobicContact CG-CD1 3.74Å; M86-I166 HydrophobicContact SD-CD1 3.63Å; M86-I166 HydrophobicContact SD-CG1 4.13Å; M86-Y199 HydrophobicContact CE-CD1 3.93Å; M86-Y199 HydrophobicContact CE-CG 4.23Å; M86-Y199 HydrophobicContact SD-CD1 3.94Å; M86-Y199 HydrophobicContact SD-CE1 4.35Å; M86-Y199 HydrophobicContact SD-CG 4.11Å; M86-F202 HydrophobicContact CE-CD2 4.16Å; M86-F202 HydrophobicContact CE-CE2 4.39Å
87	K	86.3	Confident	85.2	Confident	140 Å²	140	94.8 Å²	94.8	61%	0.609	47%	0.471	S	S	*	.	H	α-helix	trans	-65.7	-48.6	173.3	-71.4	176.3	177.9	-176	0	111.2	D83 R84 I89 V90 N91	D83-K87 WeakPolarHBondContact O-CG 2.96Å; D83-K87 PolarHBondContact O-N 3.47Å; R84-K87 WeakPolarHBondContact O-CA 3.25Å; R84-K87 WeakPolarHBondContact O-CB 3.25Å; R84-K87 PolarHBondContact O-N 2.72Å; K87-I89 VanDerWaalsContact C-N 3.32Å; K87-I89 PolarHBondContact O-N 2.94Å; K87-V90 PolarHBondContact O-N 3.26Å; K87-N91 WeakPolarHBondContact O-CB 3.36Å; K87-N91 PolarHBondContact O-N 3.21Å
88	I	86.5	Confident	85.4	Confident	84 Å²	84	88.5 Å²	88.5	43%	0.431	44%	0.441	S	S	.	.	H	α-helix	trans	-57.5	-45.4	179.9	-64.5	163.1	0	0	0	110.8	R84 M85 V90 S92 L93	R84-I88 PolarHBondContact O-N 3.42Å; M85-I88 PolarHBondContact O-N 2.82Å; I88-V90 PolarHBondContact O-N 2.98Å; I88-S92 PolarHBondContact O-N 2.97Å; I88-L93 PolarHBondContact O-N 2.98Å; I88-L93 VanDerWaalsContact O-N 3.08Å
89	I	85.2	Confident	85.6	Confident	10 Å²	10	78 Å²	78	5%	0.051	40%	0.395	C	S	.	.	H	α-helix	trans	-63.8	-24.7	178.1	-68.5	166.7	0	0	0	113.2	M85 K87 L93 Y94 I166 V196	M85-I89 HydrophobicContact CG-CD1 3.87Å; M85-I89 WeakPolarHBondContact O-CB 3.37Å; M85-I89 WeakPolarHBondContact O-CD1 3.38Å; M85-I89 VanDerWaalsContact O-CG1 3.23Å; M85-I89 WeakPolarHBondContact O-CG1 2.82Å; M85-I89 PolarHBondContact O-N 2.92Å; M85-I89 VanDerWaalsContact O-N 3.1Å; K87-I89 VanDerWaalsContact C-N 3.32Å; K87-I89 PolarHBondContact O-N 2.94Å; I89-L93 HydrophobicContact CB-CD2 4.27Å; I89-L93 HydrophobicContact CG1-CD2 4.05Å; I89-L93 HydrophobicContact CG2-CD2 4.17Å; I89-Y94 VanDerWaalsContact O-CD2 3.31Å; I89-Y94 WeakPolarHBondContact O-CD2 3.2Å; I89-Y94 WeakPolarHBondContact O-CE2 3.07Å; I89-I166 HydrophobicContact CD1-CG2 3.58Å; I89-V196 HydrophobicContact CD1-CG1 4.14Å
90	V	85	Confident	86	Confident	26 Å²	26	68.9 Å²	68.9	16%	0.158	35%	0.353	C	S	.	.	H	α-helix	trans	-101.5	-28.6	-177.5	175.9	0	0	0	0	112.9	M86 K87 I88 F202 L203	M86-V90 HydrophobicContact CE-CG2 4.41Å; M86-V90 VanDerWaalsContact O-CG2 3.27Å; M86-V90 WeakPolarHBondContact O-CG2 2.88Å; M86-V90 PolarHBondContact O-N 3.33Å; K87-V90 PolarHBondContact O-N 3.26Å; I88-V90 PolarHBondContact O-N 2.98Å; V90-F202 HydrophobicContact CG1-CB 4.19Å; V90-F202 HydrophobicContact CG2-CB 3.82Å; V90-L203 WeakPolarHBondContact O-CD2 3.24Å
91	N	83.2	Confident	86.5	Confident	124 Å²	124	65.7 Å²	65.7	66%	0.663	33%	0.326	S	S	*	.	H	α-helix	trans	-106.7	-32.8	-173.1	-67.9	23.6	0	0	0	113.8	K87	K87-N91 WeakPolarHBondContact O-CB 3.36Å; K87-N91 PolarHBondContact O-N 3.21Å
92	S	84.7	Confident	86.7	Confident	91 Å²	91	60.9 Å²	60.9	64%	0.636	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-26.2	-166	-46.6	0	0	0	0	113.7	I88 Y94	I88-S92 PolarHBondContact O-N 2.97Å; S92-Y94 VanDerWaalsContact C-N 3.26Å; S92-Y94 PolarHBondContact O-N 2.89Å
93	L	83.1	Confident	87.1	Confident	43 Å²	43	57.5 Å²	57.5	23%	0.225	28%	0.282	C	S	.	.	S	Bend	trans	-74.5	-11	-170.9	-168.3	59.8	0	0	0	115	I88 I89 V196 V439 S440	I88-L93 PolarHBondContact O-N 2.98Å; I88-L93 VanDerWaalsContact O-N 3.08Å; I89-L93 HydrophobicContact CB-CD2 4.27Å; I89-L93 HydrophobicContact CG1-CD2 4.05Å; I89-L93 HydrophobicContact CG2-CD2 4.17Å; L93-V196 HydrophobicContact CD2-CG2 4.28Å; L93-V439 HydrophobicContact CD1-CB 3.9Å; L93-V439 HydrophobicContact CD1-CG1 3.8Å; L93-V439 HydrophobicContact CD2-CG1 4.07Å; L93-V439 HydrophobicContact CG-CG1 4.29Å; L93-S440 WeakPolarHBondContact O-CB 3.45Å
94	Y	84.6	Confident	87.5	Confident	16 Å²	16	53.5 Å²	53.5	6%	0.063	26%	0.261	C	S	.	.			trans	-148.9	111.9	-159.8	-67	-52.6	0	0	0	111	I89 S92 I99 L203	I89-Y94 VanDerWaalsContact O-CD2 3.31Å; I89-Y94 WeakPolarHBondContact O-CD2 3.2Å; I89-Y94 WeakPolarHBondContact O-CE2 3.07Å; S92-Y94 VanDerWaalsContact C-N 3.26Å; S92-Y94 PolarHBondContact O-N 2.89Å; Y94-I99 HydrophobicContact CD1-CD1 3.04Å; Y94-I99 HydrophobicContact CD1-CG1 4.5Å; Y94-I99 HydrophobicContact CD2-CD1 4.02Å; Y94-I99 HydrophobicContact CE1-CD1 3.58Å; Y94-I99 HydrophobicContact CE2-CD1 4.46Å; Y94-I99 HydrophobicContact CG-CD1 3.29Å; Y94-L203 HydrophobicContact CD2-CD1 4.16Å
95	K	83.4	Confident	87.8	Confident	189 Å²	189	48.9 Å²	48.9	82%	0.822	24%	0.243	S	C	*	.	S	Bend	trans	-70.8	-47.7	-179.8	-66.4	-166.4	177.1	-169	0	111	E442	K95-E442 PolarHBondContact N-OE2 3.49Å
96	N	86.3	Confident	88	Confident	73 Å²	73	46.2 Å²	46.2	39%	0.39	23%	0.231	S	C	.	.			trans	-90.7	126.3	-178.4	-66.2	-74	0	0	0	113.6	E98 I99 E442	N96-E98 VanDerWaalsContact C-N 3.25Å; N96-E98 PolarHBondContact O-N 3.11Å; N96-I99 HydrophobicContact CB-CG2 4.14Å; N96-I99 WeakPolarHBondContact O-CG1 3.24Å; N96-E442 WeakPolarHBondContact CB-OE1 3.2Å; N96-E442 PolarHBondContact ND2-OE1 3Å
97	K	89.9	Confident	88.4	Confident	102 Å²	102	48.5 Å²	48.5	44%	0.443	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.9	172.2	-71.5	-177.1	179.9	174.5	0	113.2	I99 F100 V204 E253	K97-I99 VanDerWaalsContact C-N 3.27Å; K97-I99 PolarHBondContact O-N 2.87Å; K97-F100 WeakPolarHBondContact O-CD1 3.43Å; K97-V204 HydrophobicContact CB-CG1 4.49Å; K97-E253 IonicContact NZ-OE2 2.74Å; K97-E253 PolarHBondContact NZ-OE2 2.72Å
98	E	90.6	Very high	88.7	Confident	42 Å²	42	42.1 Å²	42.1	20%	0.196	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.2	-174.1	-58.8	-166.9	121.3	0	0	115.1	N96 F100 L101 Y257 V266 K269 Y270	N96-E98 VanDerWaalsContact C-N 3.25Å; N96-E98 PolarHBondContact O-N 3.11Å; E98-F100 PolarHBondContact O-N 2.74Å; E98-L101 PolarHBondContact O-N 2.89Å; E98-Y257 HydrophobicContact CG-CE1 4.47Å; E98-V266 HydrophobicContact CB-CG1 4.3Å; E98-V266 HydrophobicContact CB-CG2 4.47Å; E98-V266 HydrophobicContact CG-CG2 4.42Å; E98-V266 WeakPolarHBondContact OE1-CG2 3.32Å; E98-K269 IonicContact OE2-NZ 3.13Å; E98-K269 PolarHBondContact OE2-NZ 2.84Å; E98-Y270 HydrophobicContact CB-CE2 3.92Å; E98-Y270 WeakPolarHBondContact OE2-CE2 3.45Å; E98-Y270 PolarHBondContact OE2-OH 3.22Å; E98-Y270 VanDerWaalsContact OE2-OH 3.08Å
99	I	89.6	Confident	88.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-17.8	-169.5	69	179.6	0	0	0	113.9	Y94 N96 K97 L101 R102 E103 L203 E442	Y94-I99 HydrophobicContact CD1-CD1 3.04Å; Y94-I99 HydrophobicContact CD1-CG1 4.5Å; Y94-I99 HydrophobicContact CD2-CD1 4.02Å; Y94-I99 HydrophobicContact CE1-CD1 3.58Å; Y94-I99 HydrophobicContact CE2-CD1 4.46Å; Y94-I99 HydrophobicContact CG-CD1 3.29Å; N96-I99 HydrophobicContact CB-CG2 4.14Å; N96-I99 WeakPolarHBondContact O-CG1 3.24Å; K97-I99 VanDerWaalsContact C-N 3.27Å; K97-I99 PolarHBondContact O-N 2.87Å; I99-L101 PolarHBondContact O-N 2.73Å; I99-L101 VanDerWaalsContact O-N 3.08Å; I99-R102 WeakPolarHBondContact O-CA 3.49Å; I99-R102 VanDerWaalsContact O-CB 3.32Å; I99-R102 WeakPolarHBondContact O-CB 3.49Å; I99-R102 PolarHBondContact O-N 2.88Å; I99-E103 PolarHBondContact O-N 3.04Å; I99-L203 HydrophobicContact CD1-CD1 4.28Å; I99-L203 HydrophobicContact CG1-CD1 4.06Å; I99-E442 WeakPolarHBondContact CG2-OE1 3.45Å
100	F	92.7	Very high	89.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-52.6	-35.5	176.8	85.9	-87.3	0	0	0	110.5	K97 E98 L104 L145 V204 L248 Y257	K97-F100 WeakPolarHBondContact O-CD1 3.43Å; E98-F100 PolarHBondContact O-N 2.74Å; F100-L104 HydrophobicContact CD2-CD1 4.07Å; F100-L104 WeakPolarHBondContact O-CB 3.46Å; F100-L104 WeakPolarHBondContact O-CG 3.5Å; F100-L104 PolarHBondContact O-N 3Å; F100-L145 HydrophobicContact CE2-CD2 3.77Å; F100-L145 HydrophobicContact CZ-CD2 3.78Å; F100-V204 HydrophobicContact CB-CG2 4.24Å; F100-V204 HydrophobicContact CD1-CB 4.32Å; F100-V204 HydrophobicContact CD1-CG1 3.69Å; F100-V204 HydrophobicContact CD1-CG2 3.69Å; F100-V204 HydrophobicContact CD2-CG2 3.68Å; F100-V204 HydrophobicContact CE1-CB 4.45Å; F100-V204 HydrophobicContact CE1-CG1 3.95Å; F100-V204 HydrophobicContact CE1-CG2 3.93Å; F100-V204 HydrophobicContact CE2-CG2 3.94Å; F100-V204 HydrophobicContact CG-CG1 4.31Å; F100-V204 HydrophobicContact CG-CG2 3.56Å; F100-V204 HydrophobicContact CZ-CG2 4.05Å; F100-L248 HydrophobicContact CD2-CD1 3.65Å; F100-L248 HydrophobicContact CE2-CD1 3.51Å; F100-Y257 AromaticContact CE1-CD1 3.95Å; F100-Y257 HydrophobicContact CE1-CD1 3.95Å; F100-Y257 AromaticContact CE1-CD2 3.89Å; F100-Y257 HydrophobicContact CE1-CD2 3.89Å; F100-Y257 HydrophobicContact CE1-CE1 4.09Å; F100-Y257 HydrophobicContact CE1-CE2 4.02Å; F100-Y257 AromaticContact CE1-CG 3.86Å; F100-Y257 HydrophobicContact CE1-CG 3.86Å; F100-Y257 HydrophobicContact CZ-CD1 4.35Å; F100-Y257 HydrophobicContact CZ-CD2 4.37Å; F100-Y257 HydrophobicContact CZ-CG 4.07Å
101	L	93.4	Very high	89.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-76	-37.7	178.8	-163.6	59.4	0	0	0	111.6	E98 I99 I105 I136 I147 L263 V266 V267	E98-L101 PolarHBondContact O-N 2.89Å; I99-L101 PolarHBondContact O-N 2.73Å; I99-L101 VanDerWaalsContact O-N 3.08Å; L101-I105 HydrophobicContact CD1-CD1 4.16Å; L101-I105 HydrophobicContact CD1-CG1 4.39Å; L101-I105 HydrophobicContact CG-CD1 3.83Å; L101-I105 HydrophobicContact CG-CG1 4.46Å; L101-I105 WeakPolarHBondContact O-CB 3.29Å; L101-I105 WeakPolarHBondContact O-CD1 3.48Å; L101-I105 WeakPolarHBondContact O-CG1 3.39Å; L101-I105 PolarHBondContact O-N 3.1Å; L101-I136 HydrophobicContact CD1-CD1 4.29Å; L101-I147 HydrophobicContact CD1-CD1 3.66Å; L101-I147 HydrophobicContact CD1-CG1 4.29Å; L101-L263 HydrophobicContact CD2-CD2 3.8Å; L101-V266 HydrophobicContact CB-CG1 3.92Å; L101-V266 HydrophobicContact CD2-CB 4.04Å; L101-V266 HydrophobicContact CD2-CG1 3.8Å; L101-V266 HydrophobicContact CG-CG1 4.35Å; L101-V267 HydrophobicContact CD2-CG2 3.86Å; L101-V267 HydrophobicContact CG-CG2 4.48Å
102	R	90.3	Very high	89.9	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-57.5	-50.7	171.7	179.8	-171.4	78.3	-157.3	-5.7	111.2	I99 S106 Y270 V409 S440 R441	I99-R102 WeakPolarHBondContact O-CA 3.49Å; I99-R102 VanDerWaalsContact O-CB 3.32Å; I99-R102 WeakPolarHBondContact O-CB 3.49Å; I99-R102 PolarHBondContact O-N 2.88Å; R102-S106 VanDerWaalsContact O-CB 3.28Å; R102-S106 WeakPolarHBondContact O-CB 3.14Å; R102-S106 PolarHBondContact O-N 2.65Å; R102-S106 PolarHBondContact O-OG 3.01Å; R102-Y270 HydrophobicContact CB-CD1 4.37Å; R102-Y270 HydrophobicContact CB-CG 4.01Å; R102-Y270 HydrophobicContact CG-CD1 4.3Å; R102-Y270 HydrophobicContact CG-CG 4.25Å; R102-V409 HydrophobicContact CG-CG1 3.97Å; R102-S440 PolarHBondContact NH2-O 3.3Å; R102-R441 PolarHBondContact NH1-O 2.97Å; R102-R441 VanDerWaalsContact NH1-O 3.11Å
103	E	91.6	Very high	90.1	Very high	10 Å²	10	27.2 Å²	27.2	5%	0.047	13%	0.132	C	C	.	.	H	α-helix	trans	-68.6	-41.9	-178.1	-64.9	-53.1	126.9	0	0	111.8	I99 S106 N107 G197 R441	I99-E103 PolarHBondContact O-N 3.04Å; E103-S106 PolarHBondContact O-N 3.05Å; E103-N107 WeakPolarHBondContact O-CB 3.24Å; E103-N107 PolarHBondContact O-N 3.27Å; E103-N107 PolarHBondContact O-ND2 2.9Å; E103-G197 WeakPolarHBondContact CB-O 3.35Å; E103-R441 IonicContact OE2-NH1 2.7Å
104	L	93.7	Very high	90.4	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-68.3	-36.5	178.6	-67.9	176.6	0	0	0	112.6	F100 A108 I147 F198 I246 L248	F100-L104 HydrophobicContact CD2-CD1 4.07Å; F100-L104 WeakPolarHBondContact O-CB 3.46Å; F100-L104 WeakPolarHBondContact O-CG 3.5Å; F100-L104 PolarHBondContact O-N 3Å; L104-A108 WeakPolarHBondContact O-CB 3.41Å; L104-A108 PolarHBondContact O-N 3.33Å; L104-I147 HydrophobicContact CB-CD1 3.97Å; L104-I147 HydrophobicContact CD1-CD1 3.59Å; L104-I147 HydrophobicContact CG-CD1 4.45Å; L104-F198 HydrophobicContact CD2-CD2 3.94Å; L104-F198 HydrophobicContact CD2-CE2 4.4Å; L104-I246 HydrophobicContact CD2-CD1 3.87Å; L104-L248 HydrophobicContact CD1-CD1 3.9Å; L104-L248 HydrophobicContact CD1-CD2 4.24Å; L104-L248 HydrophobicContact CD1-CG 4.5Å
105	I	93	Very high	90.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69.3	-37.8	172.7	-64.9	169.6	0	0	0	110.6	L101 A108 S109 I134 I136 V267 I274 I278	L101-I105 HydrophobicContact CD1-CD1 4.16Å; L101-I105 HydrophobicContact CD1-CG1 4.39Å; L101-I105 HydrophobicContact CG-CD1 3.83Å; L101-I105 HydrophobicContact CG-CG1 4.46Å; L101-I105 WeakPolarHBondContact O-CB 3.29Å; L101-I105 WeakPolarHBondContact O-CD1 3.48Å; L101-I105 WeakPolarHBondContact O-CG1 3.39Å; L101-I105 PolarHBondContact O-N 3.1Å; I105-A108 WeakPolarHBondContact O-CB 3.3Å; I105-A108 PolarHBondContact O-N 2.89Å; I105-S109 PolarHBondContact O-N 3.33Å; I105-I134 HydrophobicContact CG2-CD1 3.87Å; I105-I136 HydrophobicContact CD1-CD1 3.77Å; I105-I136 HydrophobicContact CG1-CD1 4.28Å; I105-V267 HydrophobicContact CD1-CG2 3.82Å; I105-I274 HydrophobicContact CG2-CD1 3.55Å; I105-I278 HydrophobicContact CG2-CD1 3.73Å; I105-I278 HydrophobicContact CG2-CG1 4.37Å
106	S	90.5	Very high	90.8	Very high	4 Å²	4	20.3 Å²	20.3	3%	0.028	10%	0.099	C	C	.	.	H	α-helix	trans	-62.4	-44.6	175.2	-64.1	0	0	0	0	112	R102 E103 A108 S109 D110	R102-S106 VanDerWaalsContact O-CB 3.28Å; R102-S106 WeakPolarHBondContact O-CB 3.14Å; R102-S106 PolarHBondContact O-N 2.65Å; R102-S106 PolarHBondContact O-OG 3.01Å; E103-S106 PolarHBondContact O-N 3.05Å; S106-A108 VanDerWaalsContact C-N 3.33Å; S106-A108 PolarHBondContact O-N 3.36Å; S106-S109 WeakPolarHBondContact O-CB 3.4Å; S106-S109 PolarHBondContact O-N 3.2Å; S106-D110 PolarHBondContact O-N 3.29Å
107	N	92	Very high	90.7	Very high	60 Å²	60	18.5 Å²	18.5	32%	0.321	9%	0.09	S	C	.	.	H	α-helix	trans	-63	-36.8	173.8	-78	-68	0	0	0	112.5	E103 A111	E103-N107 WeakPolarHBondContact O-CB 3.24Å; E103-N107 PolarHBondContact O-N 3.27Å; E103-N107 PolarHBondContact O-ND2 2.9Å; N107-A111 WeakPolarHBondContact O-CB 3.48Å; N107-A111 PolarHBondContact O-N 3.44Å
108	A	93.2	Very high	90.5	Very high	6 Å²	6	16.1 Å²	16.1	5%	0.05	8%	0.082	C	C	.	.	H	α-helix	trans	-67.3	-37.8	172.4	0	0	0	0	0	112.4	L104 I105 S106 A111 L112 I134 D149	L104-A108 WeakPolarHBondContact O-CB 3.41Å; L104-A108 PolarHBondContact O-N 3.33Å; I105-A108 WeakPolarHBondContact O-CB 3.3Å; I105-A108 PolarHBondContact O-N 2.89Å; S106-A108 VanDerWaalsContact C-N 3.33Å; S106-A108 PolarHBondContact O-N 3.36Å; A108-A111 PolarHBondContact O-N 3.27Å; A108-L112 WeakPolarHBondContact O-CB 3.36Å; A108-L112 WeakPolarHBondContact O-CD1 3.38Å; A108-L112 VanDerWaalsContact O-CG 3.3Å; A108-L112 WeakPolarHBondContact O-CG 3.24Å; A108-L112 PolarHBondContact O-N 3.12Å; A108-I134 HydrophobicContact CB-CD1 3.8Å; A108-I134 HydrophobicContact CB-CG1 4.07Å; A108-I134 HydrophobicContact CB-CG2 4.39Å; A108-D149 HydrophobicContact CB-CB 3.77Å
109	S	91.5	Very high	90.3	Very high	5 Å²	5	15 Å²	15	4%	0.035	8%	0.078	C	C	.	.	H	α-helix	trans	-64	-45.4	173	-167	0	0	0	0	111.4	I105 S106 A111 L112 D113	I105-S109 PolarHBondContact O-N 3.33Å; S106-S109 WeakPolarHBondContact O-CB 3.4Å; S106-S109 PolarHBondContact O-N 3.2Å; S109-A111 VanDerWaalsContact C-N 3.3Å; S109-A111 PolarHBondContact O-N 3.19Å; S109-L112 CarbonylContact O-C 3.58Å; S109-L112 PolarHBondContact O-N 3.1Å; S109-D113 WeakPolarHBondContact O-CB 3.41Å; S109-D113 PolarHBondContact O-N 2.85Å
110	D	90.5	Very high	90	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-57.4	-40.4	172.8	-91.7	7.3	0	0	0	112.1	S106 D113 K114 T171 L190 I191 G192	S106-D110 PolarHBondContact O-N 3.29Å; D110-D113 PolarHBondContact O-N 3.39Å; D110-K114 WeakPolarHBondContact O-CB 3.09Å; D110-K114 WeakPolarHBondContact O-CD 3.46Å; D110-K114 WeakPolarHBondContact O-CG 3.43Å; D110-K114 PolarHBondContact O-N 2.71Å; D110-T171 VanDerWaalsContact OD2-CB 3.31Å; D110-T171 WeakPolarHBondContact OD2-CB 2.87Å; D110-T171 WeakPolarHBondContact OD2-CG2 2.95Å; D110-T171 PolarHBondContact OD2-OG1 2.74Å; D110-L190 HydrophobicContact CB-CD2 4.18Å; D110-L190 WeakPolarHBondContact OD1-CA 3.34Å; D110-L190 WeakPolarHBondContact OD1-CD2 3.29Å; D110-I191 PolarHBondContact OD1-N 2.84Å; D110-G192 WeakPolarHBondContact OD2-CA 3.45Å; D110-G192 PolarHBondContact OD2-N 3.33Å
111	A	92.1	Very high	89.4	Confident	13 Å²	13	26 Å²	26	11%	0.107	14%	0.141	C	C	.	.	H	α-helix	trans	-68.1	-37.6	177.2	0	0	0	0	0	112.5	N107 A108 S109 V115 G151 I152	N107-A111 WeakPolarHBondContact O-CB 3.48Å; N107-A111 PolarHBondContact O-N 3.44Å; A108-A111 PolarHBondContact O-N 3.27Å; S109-A111 VanDerWaalsContact C-N 3.3Å; S109-A111 PolarHBondContact O-N 3.19Å; A111-V115 PolarHBondContact O-N 2.92Å; A111-G151 CarbonylContact O-C 3.46Å; A111-G151 VanDerWaalsContact O-CA 3.3Å; A111-G151 WeakPolarHBondContact O-CA 3.49Å; A111-I152 HydrophobicContact CB-CG2 4.35Å; A111-I152 PolarHBondContact O-N 3.06Å
112	L	91.9	Very high	88.8	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-70	-35.3	174.1	-72.2	162.7	0	0	0	111.6	A108 S109 V115 R116 M132 I134 F276	A108-L112 WeakPolarHBondContact O-CB 3.36Å; A108-L112 WeakPolarHBondContact O-CD1 3.38Å; A108-L112 VanDerWaalsContact O-CG 3.3Å; A108-L112 WeakPolarHBondContact O-CG 3.24Å; A108-L112 PolarHBondContact O-N 3.12Å; S109-L112 CarbonylContact O-C 3.58Å; S109-L112 PolarHBondContact O-N 3.1Å; L112-V115 WeakPolarHBondContact O-CG1 3.15Å; L112-V115 PolarHBondContact O-N 2.78Å; L112-R116 WeakPolarHBondContact O-CB 3.06Å; L112-R116 PolarHBondContact O-N 2.85Å; L112-M132 HydrophobicContact CD2-CB 3.84Å; L112-M132 HydrophobicContact CD2-CG 4.13Å; L112-I134 HydrophobicContact CD1-CD1 4.02Å; L112-I134 HydrophobicContact CD1-CG1 3.51Å; L112-F276 HydrophobicContact CB-CD1 4.03Å; L112-F276 HydrophobicContact CB-CD2 3.69Å; L112-F276 HydrophobicContact CB-CE1 3.83Å; L112-F276 HydrophobicContact CB-CE2 3.47Å; L112-F276 VanDerWaalsContact CB-CE2 3.47Å; L112-F276 HydrophobicContact CB-CG 3.96Å; L112-F276 HydrophobicContact CB-CZ 3.54Å; L112-F276 HydrophobicContact CD1-CB 3.83Å; L112-F276 HydrophobicContact CD1-CD1 4.17Å; L112-F276 HydrophobicContact CD1-CD2 3.97Å; L112-F276 HydrophobicContact CD1-CG 3.72Å; L112-F276 HydrophobicContact CG-CD2 4.47Å; L112-F276 HydrophobicContact CG-CG 4.39Å
113	D	88.7	Confident	88.4	Confident	3 Å²	3	34.1 Å²	34.1	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-73.4	-35.6	176.4	-89.1	-14.2	0	0	0	113.8	S109 D110 V115 R116 V117 L190 F276	S109-D113 WeakPolarHBondContact O-CB 3.41Å; S109-D113 PolarHBondContact O-N 2.85Å; D110-D113 PolarHBondContact O-N 3.39Å; D113-V115 VanDerWaalsContact C-N 3.33Å; D113-V115 PolarHBondContact O-N 3.02Å; D113-R116 WeakPolarHBondContact O-CB 3.15Å; D113-R116 PolarHBondContact O-N 2.72Å; D113-R116 IonicContact OD1-CZ 2.69Å; D113-R116 IonicContact OD1-NE 2.66Å; D113-R116 PolarHBondContact OD1-NE 2.49Å; D113-R116 IonicContact OD1-NH2 3.61Å; D113-R116 PolarHBondContact OD1-NH2 3.37Å; D113-R116 IonicContact OD2-NH2 3.54Å; D113-R116 PolarHBondContact OD2-NH2 2.9Å; D113-R116 VanDerWaalsContact OD2-NH2 3.1Å; D113-V117 WeakPolarHBondContact O-CG2 3.46Å; D113-V117 PolarHBondContact O-N 2.63Å; D113-L190 HydrophobicContact CB-CD2 3.75Å; D113-F276 WeakPolarHBondContact OD1-CE2 3.04Å; D113-F276 WeakPolarHBondContact OD1-CZ 3.23Å
114	K	88.7	Confident	87.9	Confident	28 Å²	28	40.5 Å²	40.5	12%	0.122	22%	0.215	C	C	.	.	H	α-helix	trans	-58.5	-44.2	170.5	-73.3	164	-164.2	-177.6	0	111.4	D110 L118 I152 G170 T171 F174	D110-K114 WeakPolarHBondContact O-CB 3.09Å; D110-K114 WeakPolarHBondContact O-CD 3.46Å; D110-K114 WeakPolarHBondContact O-CG 3.43Å; D110-K114 PolarHBondContact O-N 2.71Å; K114-L118 VanDerWaalsContact O-CB 3.32Å; K114-L118 WeakPolarHBondContact O-CB 3.08Å; K114-L118 WeakPolarHBondContact O-CG 3.5Å; K114-L118 PolarHBondContact O-N 3.3Å; K114-I152 HydrophobicContact CB-CB 4.2Å; K114-I152 HydrophobicContact CB-CD1 4.2Å; K114-I152 HydrophobicContact CB-CG2 3.89Å; K114-I152 HydrophobicContact CD-CG2 4.22Å; K114-G170 PolarHBondContact NZ-O 2.91Å; K114-T171 VanDerWaalsContact CE-OG1 3.24Å; K114-T171 WeakPolarHBondContact CE-OG1 3.31Å; K114-T171 PolarHBondContact NZ-OG1 2.93Å; K114-F174 HydrophobicContact CB-CE1 4.21Å; K114-F174 HydrophobicContact CB-CE2 4.41Å; K114-F174 HydrophobicContact CB-CZ 4.07Å; K114-F174 HydrophobicContact CD-CG 4.48Å; K114-F174 HydrophobicContact CG-CD1 3.7Å; K114-F174 HydrophobicContact CG-CD2 4.22Å; K114-F174 HydrophobicContact CG-CE1 3.64Å; K114-F174 HydrophobicContact CG-CE2 4.2Å; K114-F174 HydrophobicContact CG-CG 3.98Å; K114-F174 HydrophobicContact CG-CZ 3.92Å
115	V	89.1	Confident	87.1	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-73.7	-33.2	175	70.8	0	0	0	0	112.6	A111 L112 D113 L118 S119 M125 L126 I152	A111-V115 PolarHBondContact O-N 2.92Å; L112-V115 WeakPolarHBondContact O-CG1 3.15Å; L112-V115 PolarHBondContact O-N 2.78Å; D113-V115 VanDerWaalsContact C-N 3.33Å; D113-V115 PolarHBondContact O-N 3.02Å; V115-L118 PolarHBondContact O-N 2.96Å; V115-S119 VanDerWaalsContact O-CB 3.25Å; V115-S119 WeakPolarHBondContact O-CB 3.16Å; V115-S119 PolarHBondContact O-N 3.27Å; V115-S119 PolarHBondContact O-OG 2.87Å; V115-M125 HydrophobicContact CG2-CB 4.43Å; V115-L126 HydrophobicContact CG2-CD2 4.24Å; V115-I152 HydrophobicContact CB-CB 4.3Å
116	R	87.4	Confident	86.5	Confident	73 Å²	73	43.8 Å²	43.8	28%	0.275	23%	0.231	S	C	.	.	H	α-helix	trans	-55.3	-57.6	171.2	177.8	166.6	63.4	126.3	-13.6	110.5	L112 D113 L118 S119 L120 D189	L112-R116 WeakPolarHBondContact O-CB 3.06Å; L112-R116 PolarHBondContact O-N 2.85Å; D113-R116 WeakPolarHBondContact O-CB 3.15Å; D113-R116 PolarHBondContact O-N 2.72Å; D113-R116 IonicContact OD1-CZ 2.69Å; D113-R116 IonicContact OD1-NE 2.66Å; D113-R116 PolarHBondContact OD1-NE 2.49Å; D113-R116 IonicContact OD1-NH2 3.61Å; D113-R116 PolarHBondContact OD1-NH2 3.37Å; D113-R116 IonicContact OD2-NH2 3.54Å; D113-R116 PolarHBondContact OD2-NH2 2.9Å; D113-R116 VanDerWaalsContact OD2-NH2 3.1Å; R116-L118 PolarHBondContact O-N 3.05Å; R116-S119 PolarHBondContact O-N 3.11Å; R116-S119 PolarHBondContact O-OG 2.83Å; R116-L120 PolarHBondContact O-N 2.98Å; R116-D189 IonicContact CZ-OD2 2.72Å; R116-D189 IonicContact NH1-OD2 3.1Å; R116-D189 IonicContact NH2-OD2 3.55Å; R116-D189 PolarHBondContact NH2-OD2 2.93Å
117	V	85	Confident	85.8	Confident	35 Å²	35	49.7 Å²	49.7	21%	0.212	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-43.5	-179.4	177.3	0	0	0	0	111.7	D113 S119 L120 F174 I178	D113-V117 WeakPolarHBondContact O-CG2 3.46Å; D113-V117 PolarHBondContact O-N 2.63Å; V117-S119 VanDerWaalsContact C-N 3.31Å; V117-S119 PolarHBondContact O-N 2.98Å; V117-L120 PolarHBondContact O-N 3.49Å; V117-F174 HydrophobicContact CB-CZ 4.42Å; V117-I178 HydrophobicContact CG1-CD1 3.94Å
118	L	85.1	Confident	85	Confident	51 Å²	51	52.1 Å²	52.1	27%	0.267	27%	0.272	S	S	.	.	H	α-helix	trans	-62.6	-37.2	176.8	-73.1	173.2	0	0	0	112.4	K114 V115 R116 L120 T121 N122 I152 F174	K114-L118 VanDerWaalsContact O-CB 3.32Å; K114-L118 WeakPolarHBondContact O-CB 3.08Å; K114-L118 WeakPolarHBondContact O-CG 3.5Å; K114-L118 PolarHBondContact O-N 3.3Å; V115-L118 PolarHBondContact O-N 2.96Å; R116-L118 PolarHBondContact O-N 3.05Å; L118-L120 VanDerWaalsContact C-N 3.28Å; L118-L120 PolarHBondContact O-N 3.17Å; L118-T121 PolarHBondContact O-N 2.7Å; L118-T121 PolarHBondContact O-OG1 3.45Å; L118-N122 PolarHBondContact O-N 2.9Å; L118-I152 HydrophobicContact CD1-CD1 3.53Å; L118-I152 HydrophobicContact CD1-CG1 4.44Å; L118-F174 HydrophobicContact CD1-CE2 4.46Å; L118-F174 HydrophobicContact CD2-CE2 4.48Å; L118-F174 HydrophobicContact CG-CE2 4.31Å; L118-F174 HydrophobicContact CG-CZ 4.36Å
119	S	85.4	Confident	84.1	Confident	18 Å²	18	52.7 Å²	52.7	13%	0.126	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-30.9	-179.9	76.2	0	0	0	0	113.6	V115 R116 V117 T121 N122 N123	V115-S119 VanDerWaalsContact O-CB 3.25Å; V115-S119 WeakPolarHBondContact O-CB 3.16Å; V115-S119 PolarHBondContact O-N 3.27Å; V115-S119 PolarHBondContact O-OG 2.87Å; R116-S119 PolarHBondContact O-N 3.11Å; R116-S119 PolarHBondContact O-OG 2.83Å; V117-S119 VanDerWaalsContact C-N 3.31Å; V117-S119 PolarHBondContact O-N 2.98Å; S119-T121 VanDerWaalsContact C-N 3.26Å; S119-T121 PolarHBondContact O-N 2.85Å; S119-N122 CarbonylContact O-C 3.34Å; S119-N123 WeakPolarHBondContact O-CA 3.19Å; S119-N123 PolarHBondContact O-N 2.62Å; S119-N123 VanDerWaalsContact O-N 3.15Å
120	L	83.4	Confident	83.7	Confident	113 Å²	113	58.9 Å²	58.9	59%	0.592	31%	0.308	S	S	*	.	H	α-helix	trans	-64.6	-32	174.5	-60.9	173.6	0	0	0	111.7	R116 V117 L118 E186	R116-L120 PolarHBondContact O-N 2.98Å; V117-L120 PolarHBondContact O-N 3.49Å; L118-L120 VanDerWaalsContact C-N 3.28Å; L118-L120 PolarHBondContact O-N 3.17Å; L120-E186 VanDerWaalsContact CD1-OE2 3.29Å; L120-E186 WeakPolarHBondContact CD1-OE2 3.46Å
121	T	81.1	Confident	83.5	Confident	118 Å²	118	62.7 Å²	62.7	72%	0.724	33%	0.326	S	S	*	.	H	α-helix	trans	-90	-36.1	176.7	72.2	0	0	0	0	113	L118 S119	L118-T121 PolarHBondContact O-N 2.7Å; L118-T121 PolarHBondContact O-OG1 3.45Å; S119-T121 VanDerWaalsContact C-N 3.26Å; S119-T121 PolarHBondContact O-N 2.85Å
122	N	80.1	Confident	83.4	Confident	59 Å²	59	64.8 Å²	64.8	32%	0.316	33%	0.334	S	S	.	.			trans	-141.5	92.5	179.9	-176.4	21.2	0	0	0	111.4	L118 S119 E124 M125	L118-N122 PolarHBondContact O-N 2.9Å; S119-N122 CarbonylContact O-C 3.34Å; N122-E124 PolarHBondContact O-N 2.97Å; N122-E124 WeakPolarHBondContact OD1-CB 3.41Å; N122-E124 WeakPolarHBondContact OD1-CG 3.11Å; N122-E124 PolarHBondContact OD1-N 2.71Å; N122-E124 VanDerWaalsContact OD1-N 3.15Å; N122-M125 PolarHBondContact O-N 3.2Å
123	N	82.1	Confident	83.4	Confident	115 Å²	115	64.8 Å²	64.8	62%	0.615	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-62.2	-8.9	176.5	-165.6	32.2	0	0	0	113.5	S119 M125 L126	S119-N123 WeakPolarHBondContact O-CA 3.19Å; S119-N123 PolarHBondContact O-N 2.62Å; S119-N123 VanDerWaalsContact O-N 3.15Å; N123-M125 PolarHBondContact O-N 2.93Å; N123-L126 PolarHBondContact O-N 2.64Å
124	E	80.4	Confident	83.7	Confident	144 Å²	144	64.7 Å²	64.7	67%	0.673	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-67.4	-21.1	177.6	-62.3	-172.2	162.9	0	0	113.5	N122 L126 N127	N122-E124 PolarHBondContact O-N 2.97Å; N122-E124 WeakPolarHBondContact OD1-CB 3.41Å; N122-E124 WeakPolarHBondContact OD1-CG 3.11Å; N122-E124 PolarHBondContact OD1-N 2.71Å; N122-E124 VanDerWaalsContact OD1-N 3.15Å; E124-L126 VanDerWaalsContact C-N 3.3Å; E124-L126 PolarHBondContact O-N 2.87Å; E124-N127 VanDerWaalsContact CA-ND2 3.31Å; E124-N127 WeakPolarHBondContact CA-ND2 3.4Å; E124-N127 PolarHBondContact O-N 2.74Å; E124-N127 PolarHBondContact O-ND2 2.73Å
125	M	77.8	Confident	84	Confident	46 Å²	46	65.7 Å²	65.7	23%	0.227	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-70.3	-19.8	179.6	-54.9	-53.2	-152	0	0	114.2	V115 N122 N123 D215 R242	V115-M125 HydrophobicContact CG2-CB 4.43Å; N122-M125 PolarHBondContact O-N 3.2Å; N123-M125 PolarHBondContact O-N 2.93Å; M125-D215 HydrophobicContact SD-CB 4.48Å; M125-R242 PolarHBondContact O-NH1 2.93Å
126	L	81.1	Confident	84.4	Confident	25 Å²	25	65.6 Å²	65.6	13%	0.131	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-83.5	-19.8	-179.4	-65.1	-179.1	0	0	0	113.3	V115 N123 E124 E128 S129 D130	V115-L126 HydrophobicContact CG2-CD2 4.24Å; N123-L126 PolarHBondContact O-N 2.64Å; E124-L126 VanDerWaalsContact C-N 3.3Å; E124-L126 PolarHBondContact O-N 2.87Å; L126-E128 PolarHBondContact O-N 2.66Å; L126-S129 CarbonylContact O-C 3.07Å; L126-S129 PolarHBondContact O-N 2.76Å; L126-D130 PolarHBondContact O-N 2.96Å
127	N	76	Confident	84.7	Confident	128 Å²	128	65.9 Å²	65.9	68%	0.684	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-28.3	-167.6	-78.1	-57	0	0	0	116.8	E124	E124-N127 VanDerWaalsContact CA-ND2 3.31Å; E124-N127 WeakPolarHBondContact CA-ND2 3.4Å; E124-N127 PolarHBondContact O-N 2.74Å; E124-N127 PolarHBondContact O-ND2 2.73Å
128	E	74.1	Confident	85.1	Confident	111 Å²	111	65.2 Å²	65.2	52%	0.519	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-27.9	178.5	-59.5	-152.1	173.4	0	0	113.1	L126 K241	L126-E128 PolarHBondContact O-N 2.66Å; E128-K241 HydrophobicContact CB-CB 4.29Å; E128-K241 HydrophobicContact CB-CD 4.43Å; E128-K241 WeakPolarHBondContact O-CD 3.35Å; E128-K241 PolarHBondContact O-NZ 3.15Å
129	S	75.4	Confident	85.4	Confident	18 Å²	18	65 Å²	65	13%	0.126	34%	0.337	C	S	.	.			trans	-157.6	107.3	177.2	-162.4	0	0	0	0	111.5	L126 E131 R242	L126-S129 CarbonylContact O-C 3.07Å; L126-S129 PolarHBondContact O-N 2.76Å; S129-E131 PolarHBondContact O-N 3.16Å; S129-R242 PolarHBondContact O-NH1 2.91Å; S129-R242 PolarHBondContact O-NH2 3.22Å
130	D	81.9	Confident	85.6	Confident	135 Å²	135	68.8 Å²	68.8	72%	0.722	35%	0.351	S	S	*	.			trans	-71	-16	169.3	-55.6	-46.7	0	0	0	112.3	L126 M132	L126-D130 PolarHBondContact O-N 2.96Å; D130-M132 PolarHBondContact O-N 3.17Å
131	E	86	Confident	85.9	Confident	80 Å²	80	71.2 Å²	71.2	37%	0.374	37%	0.365	S	S	.	.			trans	-73	123.1	179.1	-166.4	-165	180	0	0	110.7	S129 S133 R135 T150	S129-E131 PolarHBondContact O-N 3.16Å; E131-S133 PolarHBondContact OE1-OG 3.42Å; E131-R135 IonicContact OE1-CZ 3.22Å; E131-R135 IonicContact OE1-NH1 3.3Å; E131-R135 PolarHBondContact OE1-NH1 2.68Å; E131-R135 IonicContact OE2-CZ 2.61Å; E131-R135 IonicContact OE2-NH1 2.77Å; E131-R135 PolarHBondContact OE2-NH1 3.08Å; E131-R135 IonicContact OE2-NH2 3.08Å; E131-R135 PolarHBondContact OE2-NH2 2.76Å; E131-T150 VanDerWaalsContact O-CB 3.31Å; E131-T150 WeakPolarHBondContact O-CB 3.39Å; E131-T150 PolarHBondContact O-OG1 2.76Å
132	M	90	Very high	86.3	Confident	57 Å²	57	68.1 Å²	68.1	28%	0.281	35%	0.351	S	S	.	.			trans	-113.4	100.7	170.1	-72.1	-175.7	-65.6	0	0	108.2	L112 D130 T150 F276 P277	L112-M132 HydrophobicContact CD2-CB 3.84Å; L112-M132 HydrophobicContact CD2-CG 4.13Å; D130-M132 PolarHBondContact O-N 3.17Å; M132-T150 VanDerWaalsContact CA-OG1 3.3Å; M132-T150 WeakPolarHBondContact CA-OG1 2.99Å; M132-F276 HydrophobicContact CB-CD1 3.95Å; M132-F276 HydrophobicContact CB-CE1 4.03Å; M132-F276 HydrophobicContact SD-CE1 4.07Å; M132-P277 WeakPolarHBondContact O-CD 3.43Å
133	S	93.5	Very high	86.8	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.007	35%	0.347	C	S	.	.			trans	-151.2	159.3	-175.2	62.2	0	0	0	0	112.6	E131 T150	E131-S133 PolarHBondContact OE1-OG 3.42Å; S133-T150 PolarHBondContact N-OG1 2.9Å; S133-T150 PolarHBondContact O-N 2.85Å
134	I	95.1	Very high	87.4	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.3	173.5	-55.1	177.5	0	0	0	107.7	I105 A108 L112 P277 I278 Y279	I105-I134 HydrophobicContact CG2-CD1 3.87Å; A108-I134 HydrophobicContact CB-CD1 3.8Å; A108-I134 HydrophobicContact CB-CG1 4.07Å; A108-I134 HydrophobicContact CB-CG2 4.39Å; L112-I134 HydrophobicContact CD1-CD1 4.02Å; L112-I134 HydrophobicContact CD1-CG1 3.51Å; I134-P277 PolarHBondContact N-O 2.81Å; I134-I278 HydrophobicContact CB-CG1 4.21Å; I134-I278 HydrophobicContact CD1-CG1 4.3Å; I134-I278 WeakPolarHBondContact O-CA 3.22Å; I134-Y279 PolarHBondContact O-N 2.82Å
135	R	95.1	Very high	88.1	Confident	50 Å²	50	56.3 Å²	56.3	19%	0.189	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	121	-175.2	-83.1	-178.6	-71.7	-122.3	-5.3	111.3	E131 I148 Y279 W327	E131-R135 IonicContact OE1-CZ 3.22Å; E131-R135 IonicContact OE1-NH1 3.3Å; E131-R135 PolarHBondContact OE1-NH1 2.68Å; E131-R135 IonicContact OE2-CZ 2.61Å; E131-R135 IonicContact OE2-NH1 2.77Å; E131-R135 PolarHBondContact OE2-NH1 3.08Å; E131-R135 IonicContact OE2-NH2 3.08Å; E131-R135 PolarHBondContact OE2-NH2 2.76Å; R135-I148 HydrophobicContact CB-CB 4.25Å; R135-I148 PolarHBondContact N-O 3.45Å; R135-I148 PolarHBondContact O-N 3.24Å; R135-Y279 WeakPolarHBondContact CA-O 3.08Å; R135-Y279 HydrophobicContact CG-CD2 4.37Å; R135-W327 HydrophobicContact CB-CE3 4.2Å; R135-W327 HydrophobicContact CB-CH2 3.71Å; R135-W327 HydrophobicContact CB-CZ2 4.39Å; R135-W327 HydrophobicContact CB-CZ3 3.6Å; R135-W327 HydrophobicContact CG-CD2 4.21Å; R135-W327 HydrophobicContact CG-CE3 3.9Å; R135-W327 HydrophobicContact CG-CH2 4.08Å; R135-W327 HydrophobicContact CG-CZ2 4.39Å; R135-W327 HydrophobicContact CG-CZ3 3.83Å
136	I	95.6	Very high	88.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125	-176.1	-53.6	168.7	0	0	0	109.2	L101 I105 L145 H146 I147 L263 V267 I278 Y279 V280 W281 W327	L101-I136 HydrophobicContact CD1-CD1 4.29Å; I105-I136 HydrophobicContact CD1-CD1 3.77Å; I105-I136 HydrophobicContact CG1-CD1 4.28Å; I136-L145 HydrophobicContact CG2-CD1 3.87Å; I136-H146 CarbonylContact C-O 3.56Å; I136-H146 WeakPolarHBondContact CA-O 3.47Å; I136-I147 HydrophobicContact CG2-CG1 4.49Å; I136-L263 HydrophobicContact CG2-CD1 4.23Å; I136-L263 HydrophobicContact CG2-CD2 4.39Å; I136-V267 HydrophobicContact CD1-CG2 3.7Å; I136-I278 HydrophobicContact CD1-CG2 3.73Å; I136-I278 HydrophobicContact CG1-CG2 4.44Å; I136-Y279 PolarHBondContact N-O 2.78Å; I136-V280 HydrophobicContact CB-CG2 4.31Å; I136-V280 HydrophobicContact CD1-CG2 4.37Å; I136-V280 WeakPolarHBondContact O-CA 3.44Å; I136-W281 PolarHBondContact O-N 2.87Å; I136-W327 WeakPolarHBondContact O-CZ3 3.42Å
137	K	94.3	Very high	89.6	Confident	79 Å²	79	54.8 Å²	54.8	34%	0.343	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	114.2	-179.5	178	-176.3	176.2	-156.6	0	111.7	H146 W281 W327	K137-H146 HydrophobicContact CB-CB 4.47Å; K137-H146 PolarHBondContact N-O 2.67Å; K137-H146 PolarHBondContact O-N 2.97Å; K137-W281 HydrophobicContact CB-CB 3.97Å; K137-W281 HydrophobicContact CD-CG 4.31Å; K137-W281 HydrophobicContact CG-CB 3.9Å; K137-W281 HydrophobicContact CG-CG 4.03Å; K137-W327 HydrophobicContact CB-CH2 3.97Å; K137-W327 HydrophobicContact CB-CZ3 4.43Å
138	A	93.3	Very high	90.6	Very high	21 Å²	21	50.3 Å²	50.3	17%	0.174	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	149.9	163.1	0	0	0	0	0	112	L145 L258 L263	A138-L145 HydrophobicContact CB-CD1 4.37Å; A138-L258 HydrophobicContact CB-CB 4.22Å; A138-L258 HydrophobicContact CB-CD2 4.07Å; A138-L258 WeakPolarHBondContact CB-O 3.22Å; A138-L263 HydrophobicContact CB-CD1 3.97Å
139	N	91.9	Very high	91.5	Very high	46 Å²	46	45.6 Å²	45.6	25%	0.246	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	85.9	175.9	-178.4	35.5	0	0	0	110.1	D141 A142 R143 T144	N139-D141 VanDerWaalsContact C-N 3.33Å; N139-D141 PolarHBondContact O-N 2.74Å; N139-A142 VanDerWaalsContact ND2-CB 3.3Å; N139-A142 WeakPolarHBondContact ND2-CB 3.48Å; N139-A142 PolarHBondContact O-N 2.98Å; N139-A142 VanDerWaalsContact O-N 3.13Å; N139-R143 PolarHBondContact O-N 2.96Å; N139-R143 VanDerWaalsContact O-N 3.13Å; N139-T144 WeakPolarHBondContact CB-O 2.96Å; N139-T144 PolarHBondContact N-O 2.77Å; N139-T144 PolarHBondContact ND2-OG1 3.47Å; N139-T144 PolarHBondContact O-N 3.14Å
140	K	89.9	Confident	92.4	Very high	99 Å²	99	45.1 Å²	45.1	43%	0.43	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-53	-46	-176.7	-67.1	-172.6	176	-165.4	0	112.9	A142 R143 L258	K140-A142 PolarHBondContact O-N 2.8Å; K140-R143 PolarHBondContact O-N 2.77Å; K140-L258 WeakPolarHBondContact CE-O 3.29Å; K140-L258 HydrophobicContact CG-CB 3.91Å
141	D	88.3	Confident	92.9	Very high	164 Å²	164	38.7 Å²	38.7	88%	0.877	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-52.3	-22.9	178.6	-64.7	-1.7	0	0	0	115.2	N139	N139-D141 VanDerWaalsContact C-N 3.33Å; N139-D141 PolarHBondContact O-N 2.74Å
142	A	89.7	Confident	93.2	Very high	52 Å²	52	36.8 Å²	36.8	43%	0.43	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-120.8	-0.2	179.9	0	0	0	0	0	114	N139 K140 T144	N139-A142 VanDerWaalsContact ND2-CB 3.3Å; N139-A142 WeakPolarHBondContact ND2-CB 3.48Å; N139-A142 PolarHBondContact O-N 2.98Å; N139-A142 VanDerWaalsContact O-N 3.13Å; K140-A142 PolarHBondContact O-N 2.8Å; A142-T144 HydrophobicContact CB-CG2 4.12Å; A142-T144 PolarHBondContact O-N 2.6Å
143	R	92	Very high	93.3	Very high	65 Å²	65	34.2 Å²	34.2	25%	0.245	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	43.9	-164.7	-80	170.9	42.2	-151.1	-10.1	112.8	N139 K140 L250 T251 E252 L258	N139-R143 PolarHBondContact O-N 2.96Å; N139-R143 VanDerWaalsContact O-N 3.13Å; K140-R143 PolarHBondContact O-N 2.77Å; R143-L250 PolarHBondContact NH2-O 3.45Å; R143-L250 PolarHBondContact O-N 2.78Å; R143-T251 PolarHBondContact NE-O 3.39Å; R143-T251 VanDerWaalsContact NH2-C 3.28Å; R143-T251 PolarHBondContact NH2-O 3.45Å; R143-E252 VanDerWaalsContact CZ-CG 3.46Å; R143-E252 IonicContact CZ-OE1 3.26Å; R143-E252 VanDerWaalsContact NH1-CG 3.33Å; R143-E252 IonicContact NH1-OE1 3.02Å; R143-E252 PolarHBondContact NH1-OE1 2.71Å; R143-E252 IonicContact NH2-OE1 2.67Å; R143-L258 HydrophobicContact CB-CD1 4.17Å; R143-L258 HydrophobicContact CG-CD1 3.77Å
144	T	93.8	Very high	93.3	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.4	175.8	60.5	0	0	0	0	113.5	N139 A142 H146 V247 L248 Y249	N139-T144 WeakPolarHBondContact CB-O 2.96Å; N139-T144 PolarHBondContact N-O 2.77Å; N139-T144 PolarHBondContact ND2-OG1 3.47Å; N139-T144 PolarHBondContact O-N 3.14Å; A142-T144 HydrophobicContact CB-CG2 4.12Å; A142-T144 PolarHBondContact O-N 2.6Å; T144-H146 PolarHBondContact OG1-CD2 2.85Å; T144-H146 PolarHBondContact OG1-NE2 3.5Å; T144-V247 HydrophobicContact CG2-CG1 3.96Å; T144-L248 WeakPolarHBondContact CA-O 3.45Å; T144-Y249 HydrophobicContact CG2-CD1 3.53Å; T144-Y249 HydrophobicContact CG2-CE1 3.57Å; T144-Y249 HydrophobicContact CG2-CG 4.08Å
145	L	95.6	Very high	93.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.4	168.6	-178.6	57.2	0	0	0	108.9	F100 I136 A138 L248 L250 L263	F100-L145 HydrophobicContact CE2-CD2 3.77Å; F100-L145 HydrophobicContact CZ-CD2 3.78Å; I136-L145 HydrophobicContact CG2-CD1 3.87Å; A138-L145 HydrophobicContact CB-CD1 4.37Å; L145-L248 HydrophobicContact CB-CB 4.37Å; L145-L248 HydrophobicContact CD2-CD1 4.45Å; L145-L248 PolarHBondContact N-O 3.37Å; L145-L248 PolarHBondContact O-N 2.99Å; L145-L250 HydrophobicContact CB-CD1 4.24Å; L145-L250 HydrophobicContact CB-CD2 4.45Å; L145-L250 HydrophobicContact CB-CG 4.5Å; L145-L263 HydrophobicContact CD1-CD1 3.81Å; L145-L263 HydrophobicContact CD1-CD2 4.2Å; L145-L263 HydrophobicContact CD2-CD2 4.01Å
146	H	95.3	Very high	93.1	Very high	36 Å²	36	39.8 Å²	39.8	17%	0.167	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.5	-179.8	-65	-116.3	0	0	0	109.8	I136 K137 T144 E245 I246	I136-H146 CarbonylContact C-O 3.56Å; I136-H146 WeakPolarHBondContact CA-O 3.47Å; K137-H146 HydrophobicContact CB-CB 4.47Å; K137-H146 PolarHBondContact N-O 2.67Å; K137-H146 PolarHBondContact O-N 2.97Å; T144-H146 PolarHBondContact OG1-CD2 2.85Å; T144-H146 PolarHBondContact OG1-NE2 3.5Å; H146-E245 IonicContact CE1-OE1 2.84Å; H146-E245 IonicContact ND1-OE1 3.9Å; H146-E245 PolarHBondContact ND1-OE1 2.82Å; H146-I246 WeakPolarHBondContact CA-O 3.32Å
147	I	95.8	Very high	92.9	Very high	3 Å²	3	43 Å²	43	2%	0.015	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118	174.4	-62.3	163.3	0	0	0	107.3	L101 L104 I136 I246 L248	L101-I147 HydrophobicContact CD1-CD1 3.66Å; L101-I147 HydrophobicContact CD1-CG1 4.29Å; L104-I147 HydrophobicContact CB-CD1 3.97Å; L104-I147 HydrophobicContact CD1-CD1 3.59Å; L104-I147 HydrophobicContact CG-CD1 4.45Å; I136-I147 HydrophobicContact CG2-CG1 4.49Å; I147-I246 PolarHBondContact N-O 2.95Å; I147-I246 PolarHBondContact O-N 2.82Å; I147-L248 HydrophobicContact CD1-CD1 4.43Å
148	I	95.2	Very high	92.8	Very high	35 Å²	35	42.7 Å²	42.7	18%	0.179	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	119.8	-169	-53.9	172.2	0	0	0	109.8	R135 T244 E245	R135-I148 HydrophobicContact CB-CB 4.25Å; R135-I148 PolarHBondContact N-O 3.45Å; R135-I148 PolarHBondContact O-N 3.24Å; I148-T244 WeakPolarHBondContact CA-O 3.43Å; I148-E245 HydrophobicContact CG1-CB 4.14Å; I148-E245 HydrophobicContact CG1-CG 4.09Å
149	D	94.9	Very high	92.7	Very high	11 Å²	11	41.7 Å²	41.7	6%	0.059	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	159.6	173.7	86.8	-88.7	0	0	0	112	A108 G151 T244	A108-D149 HydrophobicContact CB-CB 3.77Å; D149-G151 VanDerWaalsContact OD2-CA 3.24Å; D149-G151 WeakPolarHBondContact OD2-CA 3.42Å; D149-G151 PolarHBondContact OD2-N 3.31Å; D149-T244 PolarHBondContact N-O 2.85Å; D149-T244 PolarHBondContact O-N 2.77Å; D149-T244 VanDerWaalsContact OD1-CA 3.27Å; D149-T244 WeakPolarHBondContact OD1-CA 3.17Å; D149-T244 WeakPolarHBondContact OD1-CB 3.35Å; D149-T244 PolarHBondContact OD1-N 3.1Å; D149-T244 PolarHBondContact OD1-OG1 3.48Å; D149-T244 VanDerWaalsContact OD1-OG1 3.08Å
150	T	94	Very high	92.7	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.055	23%	0.231	C	C	.	.			trans	-117.1	26	172.5	62.1	0	0	0	0	113.3	E131 M132 S133 R242	E131-T150 VanDerWaalsContact O-CB 3.31Å; E131-T150 WeakPolarHBondContact O-CB 3.39Å; E131-T150 PolarHBondContact O-OG1 2.76Å; M132-T150 VanDerWaalsContact CA-OG1 3.3Å; M132-T150 WeakPolarHBondContact CA-OG1 2.99Å; S133-T150 PolarHBondContact N-OG1 2.9Å; S133-T150 PolarHBondContact O-N 2.85Å; T150-R242 PolarHBondContact O-NE 3.17Å; T150-R242 PolarHBondContact O-NH2 3.36Å
151	G	92.4	Very high	92.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-72	-150.4	179.1	0	0	0	0	0	113.9	A111 D149 R242	A111-G151 CarbonylContact O-C 3.46Å; A111-G151 VanDerWaalsContact O-CA 3.3Å; A111-G151 WeakPolarHBondContact O-CA 3.49Å; D149-G151 VanDerWaalsContact OD2-CA 3.24Å; D149-G151 WeakPolarHBondContact OD2-CA 3.42Å; D149-G151 PolarHBondContact OD2-N 3.31Å; G151-R242 WeakPolarHBondContact O-CD 3.12Å; G151-R242 VanDerWaalsContact O-CG 3.28Å; G151-R242 WeakPolarHBondContact O-CG 3.22Å; G151-R242 PolarHBondContact O-NE 3.15Å
152	I	91.5	Very high	92.9	Very high	39 Å²	39	33.4 Å²	33.4	20%	0.2	19%	0.19	C	C	.	.			trans	-69.7	-33.2	-175.5	-169.5	175.6	0	0	0	114.1	A111 K114 V115 L118 S214	A111-I152 HydrophobicContact CB-CG2 4.35Å; A111-I152 PolarHBondContact O-N 3.06Å; K114-I152 HydrophobicContact CB-CB 4.2Å; K114-I152 HydrophobicContact CB-CD1 4.2Å; K114-I152 HydrophobicContact CB-CG2 3.89Å; K114-I152 HydrophobicContact CD-CG2 4.22Å; V115-I152 HydrophobicContact CB-CB 4.3Å; L118-I152 HydrophobicContact CD1-CD1 3.53Å; L118-I152 HydrophobicContact CD1-CG1 4.44Å; I152-S214 WeakPolarHBondContact O-CA 3.43Å
153	G	92.2	Very high	92.9	Very high	4 Å²	4	31.9 Å²	31.9	4%	0.041	18%	0.175	C	C	.	.			trans	66.1	172	-169.2	0	0	0	0	0	113.9
154	M	93.8	Very high	92.5	Very high	40 Å²	40	30.1 Å²	30.1	20%	0.197	18%	0.177	C	C	.	.			trans	-119	148.1	-177	-69.3	174.6	-80.3	0	0	112.1	E158 L159 L163 V210 S212 S214 T244	M154-E158 HydrophobicContact CB-CB 4Å; M154-E158 HydrophobicContact CG-CB 4.22Å; M154-L159 HydrophobicContact CB-CD2 3.98Å; M154-L159 HydrophobicContact CB-CG 3.93Å; M154-L159 HydrophobicContact CE-CD2 3.81Å; M154-L159 HydrophobicContact SD-CD2 4.09Å; M154-L163 HydrophobicContact CE-CD1 4.07Å; M154-L163 HydrophobicContact SD-CD1 4.46Å; M154-L163 HydrophobicContact SD-CG 4.38Å; M154-V210 HydrophobicContact CE-CG1 4.35Å; M154-S212 PolarHBondContact N-OG 2.83Å; M154-S214 PolarHBondContact O-N 2.96Å; M154-T244 HydrophobicContact CE-CG2 4.44Å
155	T	93.4	Very high	92	Very high	25 Å²	25	33 Å²	33	15%	0.153	19%	0.194	C	C	.	.			trans	-83.8	167.4	169.2	60.4	0	0	0	0	112.1	A157 E158 L159 N216 D217	T155-A157 PolarHBondContact O-N 3.23Å; T155-E158 WeakPolarHBondContact CB-OE2 3.11Å; T155-E158 VanDerWaalsContact CG2-OE2 3.29Å; T155-E158 WeakPolarHBondContact CG2-OE2 3.5Å; T155-E158 PolarHBondContact N-OE2 3.43Å; T155-E158 PolarHBondContact O-N 2.88Å; T155-E158 VanDerWaalsContact O-N 3.08Å; T155-E158 WeakPolarHBondContact OG1-CG 2.92Å; T155-E158 PolarHBondContact OG1-N 3.47Å; T155-E158 PolarHBondContact OG1-OE2 2.91Å; T155-L159 WeakPolarHBondContact O-CG 3.15Å; T155-L159 PolarHBondContact O-N 3.18Å; T155-N216 HydrophobicContact CG2-CB 4.39Å; T155-D217 WeakPolarHBondContact CA-OD2 3.28Å; T155-D217 HydrophobicContact CG2-CB 3.77Å
156	E	92.4	Very high	91.5	Very high	103 Å²	103	34.3 Å²	34.3	48%	0.481	20%	0.201	S	C	.	.	H	α-helix	trans	-50.8	-39.7	174.5	-174.4	-177.8	-156.2	0	0	112.5	T160 D217 V231	E156-T160 WeakPolarHBondContact O-CB 3.49Å; E156-T160 PolarHBondContact O-N 2.97Å; E156-T160 VanDerWaalsContact O-N 3.13Å; E156-T160 PolarHBondContact O-OG1 2.76Å; E156-D217 PolarHBondContact N-OD2 3.35Å; E156-V231 HydrophobicContact CG-CG1 4.17Å
157	A	91.9	Very high	90.9	Very high	68 Å²	68	36 Å²	36	56%	0.562	22%	0.221	S	C	*	.	H	α-helix	trans	-73.1	-36.4	179.3	0	0	0	0	0	113.1	T155 S161	T155-A157 PolarHBondContact O-N 3.23Å; A157-S161 WeakPolarHBondContact O-CB 3.47Å; A157-S161 PolarHBondContact O-N 3.3Å; A157-S161 PolarHBondContact O-OG 2.84Å
158	E	91.7	Very high	90.5	Very high	71 Å²	71	39 Å²	39	33%	0.332	23%	0.234	S	C	.	.	H	α-helix	trans	-74.3	-37.4	177.2	-73	160.2	141.8	0	0	111.9	M154 T155 T160 S161 N162	M154-E158 HydrophobicContact CB-CB 4Å; M154-E158 HydrophobicContact CG-CB 4.22Å; T155-E158 WeakPolarHBondContact CB-OE2 3.11Å; T155-E158 VanDerWaalsContact CG2-OE2 3.29Å; T155-E158 WeakPolarHBondContact CG2-OE2 3.5Å; T155-E158 PolarHBondContact N-OE2 3.43Å; T155-E158 PolarHBondContact O-N 2.88Å; T155-E158 VanDerWaalsContact O-N 3.08Å; T155-E158 WeakPolarHBondContact OG1-CG 2.92Å; T155-E158 PolarHBondContact OG1-N 3.47Å; T155-E158 PolarHBondContact OG1-OE2 2.91Å; E158-T160 VanDerWaalsContact C-N 3.34Å; E158-S161 PolarHBondContact O-N 3.01Å; E158-N162 VanDerWaalsContact O-CB 3.23Å; E158-N162 WeakPolarHBondContact O-CB 3.26Å; E158-N162 PolarHBondContact O-N 3.44Å; E158-N162 PolarHBondContact O-ND2 3.4Å
159	L	91.9	Very high	90	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.9	-46.9	169.8	-71.9	171.3	0	0	0	110.9	M154 T155 S161 L163 V210 H220 W222	M154-L159 HydrophobicContact CB-CD2 3.98Å; M154-L159 HydrophobicContact CB-CG 3.93Å; M154-L159 HydrophobicContact CE-CD2 3.81Å; M154-L159 HydrophobicContact SD-CD2 4.09Å; T155-L159 WeakPolarHBondContact O-CG 3.15Å; T155-L159 PolarHBondContact O-N 3.18Å; L159-S161 PolarHBondContact O-N 2.72Å; L159-L163 HydrophobicContact CD2-CD1 3.81Å; L159-L163 WeakPolarHBondContact O-CB 3.4Å; L159-L163 PolarHBondContact O-N 2.75Å; L159-V210 HydrophobicContact CD2-CG1 4.22Å; L159-H220 HydrophobicContact CD1-CB 3.73Å; L159-W222 HydrophobicContact CD2-CB 4.22Å
160	T	91	Very high	89.5	Confident	64 Å²	64	38.5 Å²	38.5	39%	0.393	24%	0.238	S	C	.	.	H	α-helix	trans	-67.8	-34.4	-179	-53.9	0	0	0	0	112.8	E156 E158 G164 F229	E156-T160 WeakPolarHBondContact O-CB 3.49Å; E156-T160 PolarHBondContact O-N 2.97Å; E156-T160 VanDerWaalsContact O-N 3.13Å; E156-T160 PolarHBondContact O-OG1 2.76Å; E158-T160 VanDerWaalsContact C-N 3.34Å; T160-G164 WeakPolarHBondContact O-CA 3.48Å; T160-F229 HydrophobicContact CG2-CE2 4.41Å
161	S	90.9	Very high	89	Confident	42 Å²	42	38.3 Å²	38.3	29%	0.294	24%	0.237	S	C	.	.	H	α-helix	trans	-94.2	-39.2	-175.8	55.4	0	0	0	0	114.2	A157 E158 L159 T165 K168	A157-S161 WeakPolarHBondContact O-CB 3.47Å; A157-S161 PolarHBondContact O-N 3.3Å; A157-S161 PolarHBondContact O-OG 2.84Å; E158-S161 PolarHBondContact O-N 3.01Å; L159-S161 PolarHBondContact O-N 2.72Å; S161-T165 VanDerWaalsContact O-CB 3.25Å; S161-T165 WeakPolarHBondContact O-CB 3.1Å; S161-T165 PolarHBondContact O-N 3.42Å; S161-T165 PolarHBondContact O-OG1 3.3Å; S161-K168 WeakPolarHBondContact O-CD 3.18Å
162	N	91	Very high	88.6	Confident	30 Å²	30	40.6 Å²	40.6	16%	0.16	25%	0.253	C	S	.	.	H	α-helix	trans	-87.4	-32.9	-176.4	-57.5	-32.7	0	0	0	113.1	E158 K168	E158-N162 VanDerWaalsContact O-CB 3.23Å; E158-N162 WeakPolarHBondContact O-CB 3.26Å; E158-N162 PolarHBondContact O-N 3.44Å; E158-N162 PolarHBondContact O-ND2 3.4Å; N162-K168 VanDerWaalsContact OD1-CE 3.29Å; N162-K168 WeakPolarHBondContact OD1-CE 3.33Å
163	L	89.6	Confident	88.3	Confident	19 Å²	19	42.3 Å²	42.3	10%	0.099	26%	0.26	C	S	.	.	S	Bend	trans	-100.1	-8.1	175.3	-51.5	-177.2	0	0	0	113.1	M154 L159 F198 Y199 V210 W222	M154-L163 HydrophobicContact CE-CD1 4.07Å; M154-L163 HydrophobicContact SD-CD1 4.46Å; M154-L163 HydrophobicContact SD-CG 4.38Å; L159-L163 HydrophobicContact CD2-CD1 3.81Å; L159-L163 WeakPolarHBondContact O-CB 3.4Å; L159-L163 PolarHBondContact O-N 2.75Å; L163-F198 HydrophobicContact CB-CE1 4.37Å; L163-F198 HydrophobicContact CD1-CE1 4.45Å; L163-F198 HydrophobicContact CD1-CZ 4.27Å; L163-F198 HydrophobicContact CD2-CD1 3.86Å; L163-F198 HydrophobicContact CD2-CD2 4.27Å; L163-F198 HydrophobicContact CD2-CE1 4.06Å; L163-F198 HydrophobicContact CD2-CE2 4.46Å; L163-F198 HydrophobicContact CD2-CG 3.96Å; L163-F198 HydrophobicContact CD2-CZ 4.36Å; L163-Y199 PolarHBondContact O-OH 3.24Å; L163-V210 HydrophobicContact CD1-CB 4.3Å; L163-V210 HydrophobicContact CD1-CG1 4.02Å; L163-V210 HydrophobicContact CD1-CG2 4.2Å; L163-W222 HydrophobicContact CB-CD2 4.45Å; L163-W222 HydrophobicContact CB-CZ2 4.01Å; L163-W222 HydrophobicContact CD1-CD2 4.31Å; L163-W222 HydrophobicContact CD1-CG 4.44Å; L163-W222 WeakPolarHBondContact O-CZ2 3.28Å
164	G	84.1	Confident	88	Confident	28 Å²	28	43.7 Å²	43.7	29%	0.289	27%	0.265	S	S	.	.	S	Bend	trans	-105.9	4.7	177	0	0	0	0	0	114.5	T160 F229	T160-G164 WeakPolarHBondContact O-CA 3.48Å; G164-F229 VanDerWaalsContact CA-CE1 3.41Å
165	T	84.5	Confident	87.4	Confident	66 Å²	66	44.1 Å²	44.1	41%	0.405	27%	0.268	S	S	.	.	S	Bend	trans	-130.1	126.6	173.7	-38.2	0	0	0	0	108.5	S161 K168 Y199	S161-T165 VanDerWaalsContact O-CB 3.25Å; S161-T165 WeakPolarHBondContact O-CB 3.1Å; S161-T165 PolarHBondContact O-N 3.42Å; S161-T165 PolarHBondContact O-OG1 3.3Å; T165-K168 HydrophobicContact CG2-CB 4.26Å; T165-Y199 PolarHBondContact O-OH 2.8Å; T165-Y199 VanDerWaalsContact O-OH 3.06Å
166	I	84.3	Confident	87	Confident	28 Å²	28	46.2 Å²	46.2	14%	0.144	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	152.1	175.2	-64.4	160.2	0	0	0	109.1	V82 M85 M86 I89 K168 V196 Y199	V82-I166 HydrophobicContact CG1-CD1 3.94Å; M85-I166 HydrophobicContact CE-CB 4.03Å; M85-I166 HydrophobicContact CE-CD1 3.84Å; M85-I166 HydrophobicContact CE-CG2 3.97Å; M85-I166 HydrophobicContact CG-CG2 4.24Å; M85-I166 HydrophobicContact SD-CG2 3.81Å; M86-I166 HydrophobicContact CG-CD1 3.74Å; M86-I166 HydrophobicContact SD-CD1 3.63Å; M86-I166 HydrophobicContact SD-CG1 4.13Å; I89-I166 HydrophobicContact CD1-CG2 3.58Å; I166-K168 PolarHBondContact O-N 3.03Å; I166-K168 VanDerWaalsContact O-N 3.13Å; I166-V196 HydrophobicContact CG2-CG1 4.37Å; I166-Y199 HydrophobicContact CB-CE2 4.37Å; I166-Y199 HydrophobicContact CG1-CE2 3.89Å
167	A	83	Confident	86.5	Confident	71 Å²	71	45.8 Å²	45.8	59%	0.587	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	20.2	-175.8	0	0	0	0	0	115.8	F194	A167-F194 CarbonylContact C-O 3.44Å; A167-F194 WeakPolarHBondContact CA-O 3.46Å
168	K	86	Confident	85.8	Confident	65 Å²	65	44.3 Å²	44.3	28%	0.283	26%	0.259	S	S	.	.			trans	-105.9	97.7	177.3	-179.8	163.8	167.9	116.9	0	112.7	S161 N162 T165 I166 G170 E173	S161-K168 WeakPolarHBondContact O-CD 3.18Å; N162-K168 VanDerWaalsContact OD1-CE 3.29Å; N162-K168 WeakPolarHBondContact OD1-CE 3.33Å; T165-K168 HydrophobicContact CG2-CB 4.26Å; I166-K168 PolarHBondContact O-N 3.03Å; I166-K168 VanDerWaalsContact O-N 3.13Å; K168-G170 PolarHBondContact O-N 3.11Å; K168-E173 WeakPolarHBondContact CE-OE1 3.46Å; K168-E173 IonicContact NZ-OE1 2.65Å; K168-E173 PolarHBondContact NZ-OE1 2.68Å
169	S	85.2	Confident	85	Confident	16 Å²	16	44.5 Å²	44.5	11%	0.112	27%	0.273	C	S	.	.			trans	-82.9	109.1	173.5	177.5	0	0	0	0	113.5	T171 S172 E173 G192 Q193	S169-T171 PolarHBondContact O-N 3.35Å; S169-T171 VanDerWaalsContact O-N 3.14Å; S169-T171 WeakPolarHBondContact OG-CB 2.73Å; S169-T171 PolarHBondContact OG-N 2.71Å; S169-T171 VanDerWaalsContact OG-N 3.07Å; S169-S172 PolarHBondContact O-N 3.35Å; S169-S172 PolarHBondContact OG-N 2.57Å; S169-E173 PolarHBondContact O-N 3.42Å; S169-E173 VanDerWaalsContact O-N 3.14Å; S169-G192 PolarHBondContact OG-O 2.88Å; S169-Q193 WeakPolarHBondContact CB-O 3.17Å
170	G	84.1	Confident	84.3	Confident	21 Å²	21	50 Å²	50	22%	0.216	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	0.7	163.6	0	0	0	0	0	114.6	K114 K168	K114-G170 PolarHBondContact NZ-O 2.91Å; K168-G170 PolarHBondContact O-N 3.11Å
171	T	84.3	Confident	83.1	Confident	4 Å²	4	50.3 Å²	50.3	3%	0.025	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-42	168.4	-66.6	0	0	0	0	111.1	D110 K114 S169 E173 F174 L175 L190 G192	D110-T171 VanDerWaalsContact OD2-CB 3.31Å; D110-T171 WeakPolarHBondContact OD2-CB 2.87Å; D110-T171 WeakPolarHBondContact OD2-CG2 2.95Å; D110-T171 PolarHBondContact OD2-OG1 2.74Å; K114-T171 VanDerWaalsContact CE-OG1 3.24Å; K114-T171 WeakPolarHBondContact CE-OG1 3.31Å; K114-T171 PolarHBondContact NZ-OG1 2.93Å; S169-T171 PolarHBondContact O-N 3.35Å; S169-T171 VanDerWaalsContact O-N 3.14Å; S169-T171 WeakPolarHBondContact OG-CB 2.73Å; S169-T171 PolarHBondContact OG-N 2.71Å; S169-T171 VanDerWaalsContact OG-N 3.07Å; T171-E173 VanDerWaalsContact C-N 3.29Å; T171-E173 PolarHBondContact O-N 2.92Å; T171-F174 CarbonylContact O-C 3.54Å; T171-F174 WeakPolarHBondContact O-CA 3.07Å; T171-F174 WeakPolarHBondContact O-CB 3.29Å; T171-F174 PolarHBondContact O-N 3.15Å; T171-L175 HydrophobicContact CG2-CD1 4.14Å; T171-L175 HydrophobicContact CG2-CG 4.48Å; T171-L175 PolarHBondContact O-N 3.13Å; T171-L190 HydrophobicContact CG2-CB 3.76Å; T171-L190 HydrophobicContact CG2-CD1 4.14Å; T171-L190 HydrophobicContact CG2-CD2 4.18Å; T171-L190 HydrophobicContact CG2-CG 4.24Å; T171-G192 WeakPolarHBondContact CB-O 3.47Å; T171-G192 VanDerWaalsContact CG2-O 3.24Å; T171-G192 WeakPolarHBondContact CG2-O 3.37Å
172	S	83.7	Confident	81.3	Confident	48 Å²	48	55.7 Å²	55.7	34%	0.336	33%	0.326	S	S	.	.	H	α-helix	trans	-59	-42.3	171.9	-178.9	0	0	0	0	111.2	S169 F174 L175 T176	S169-S172 PolarHBondContact O-N 3.35Å; S169-S172 PolarHBondContact OG-N 2.57Å; S172-F174 PolarHBondContact O-N 2.96Å; S172-F174 VanDerWaalsContact O-N 3.14Å; S172-L175 PolarHBondContact O-N 3.36Å; S172-T176 WeakPolarHBondContact O-CG2 3.48Å; S172-T176 PolarHBondContact O-N 3.36Å; S172-T176 PolarHBondContact O-OG1 3.07Å
173	E	85.9	Confident	79.6	Confident	76 Å²	76	59.5 Å²	59.5	36%	0.355	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-16.9	170.6	-102.2	-151.7	-127.4	0	0	114.6	K168 S169 T171 T176 K177	K168-E173 WeakPolarHBondContact CE-OE1 3.46Å; K168-E173 IonicContact NZ-OE1 2.65Å; K168-E173 PolarHBondContact NZ-OE1 2.68Å; S169-E173 PolarHBondContact O-N 3.42Å; S169-E173 VanDerWaalsContact O-N 3.14Å; T171-E173 VanDerWaalsContact C-N 3.29Å; T171-E173 PolarHBondContact O-N 2.92Å; E173-T176 WeakPolarHBondContact CA-OG1 3.29Å; E173-T176 PolarHBondContact O-OG1 3.02Å; E173-K177 WeakPolarHBondContact O-CD 3.34Å; E173-K177 WeakPolarHBondContact O-CE 3.32Å; E173-K177 WeakPolarHBondContact O-CG 3.28Å; E173-K177 PolarHBondContact O-NZ 3.23Å; E173-K177 IonicContact OE2-NZ 3.58Å; E173-K177 PolarHBondContact OE2-NZ 3.12Å
174	F	85.5	Confident	77.5	Confident	32 Å²	32	63 Å²	63	14%	0.14	38%	0.382	C	S	.	.	H	α-helix	trans	-97.2	-42.3	177.6	-175.6	-102	0	0	0	111.3	K114 V117 L118 T171 S172 T176 K177 I178 L190	K114-F174 HydrophobicContact CB-CE1 4.21Å; K114-F174 HydrophobicContact CB-CE2 4.41Å; K114-F174 HydrophobicContact CB-CZ 4.07Å; K114-F174 HydrophobicContact CD-CG 4.48Å; K114-F174 HydrophobicContact CG-CD1 3.7Å; K114-F174 HydrophobicContact CG-CD2 4.22Å; K114-F174 HydrophobicContact CG-CE1 3.64Å; K114-F174 HydrophobicContact CG-CE2 4.2Å; K114-F174 HydrophobicContact CG-CG 3.98Å; K114-F174 HydrophobicContact CG-CZ 3.92Å; V117-F174 HydrophobicContact CB-CZ 4.42Å; L118-F174 HydrophobicContact CD1-CE2 4.46Å; L118-F174 HydrophobicContact CD2-CE2 4.48Å; L118-F174 HydrophobicContact CG-CE2 4.31Å; L118-F174 HydrophobicContact CG-CZ 4.36Å; T171-F174 CarbonylContact O-C 3.54Å; T171-F174 WeakPolarHBondContact O-CA 3.07Å; T171-F174 WeakPolarHBondContact O-CB 3.29Å; T171-F174 PolarHBondContact O-N 3.15Å; S172-F174 PolarHBondContact O-N 2.96Å; S172-F174 VanDerWaalsContact O-N 3.14Å; F174-T176 PolarHBondContact O-N 2.74Å; F174-K177 PolarHBondContact O-N 2.82Å; F174-K177 VanDerWaalsContact O-N 3.14Å; F174-I178 HydrophobicContact CD1-CD1 3.7Å; F174-I178 HydrophobicContact CD1-CG1 4.47Å; F174-I178 HydrophobicContact CE1-CD1 3.31Å; F174-I178 HydrophobicContact CE1-CG1 4.28Å; F174-I178 HydrophobicContact CZ-CD1 3.9Å; F174-I178 PolarHBondContact O-N 3.35Å; F174-L190 HydrophobicContact CD1-CD1 3.79Å; F174-L190 HydrophobicContact CE1-CD1 4.24Å
175	L	81.7	Confident	75.8	Confident	49 Å²	49	67.2 Å²	67.2	26%	0.257	41%	0.407	S	S	.	.	H	α-helix	trans	-53.4	-50.2	170.9	-78.6	165.1	0	0	0	111.6	T171 S172 K177 I178 A179 S188 L190	T171-L175 HydrophobicContact CG2-CD1 4.14Å; T171-L175 HydrophobicContact CG2-CG 4.48Å; T171-L175 PolarHBondContact O-N 3.13Å; S172-L175 PolarHBondContact O-N 3.36Å; L175-K177 VanDerWaalsContact C-N 3.3Å; L175-K177 PolarHBondContact O-N 3.18Å; L175-I178 PolarHBondContact O-N 2.85Å; L175-I178 VanDerWaalsContact O-N 3.14Å; L175-A179 PolarHBondContact O-N 3.13Å; L175-S188 VanDerWaalsContact CD2-OG 3.29Å; L175-S188 WeakPolarHBondContact CD2-OG 3.29Å; L175-L190 HydrophobicContact CD1-CB 4.41Å; L175-L190 HydrophobicContact CD2-CB 4.24Å; L175-L190 HydrophobicContact CD2-CD1 3.79Å; L175-L190 HydrophobicContact CG-CB 4.42Å; L175-L190 HydrophobicContact CG-CD1 3.89Å
176	T	83.8	Confident	74.2	Confident	70 Å²	70	70.3 Å²	70.3	43%	0.429	42%	0.417	S	S	.	.	H	α-helix	trans	-61.8	-34.2	177	47.4	0	0	0	0	113.4	S172 E173 F174 Q180	S172-T176 WeakPolarHBondContact O-CG2 3.48Å; S172-T176 PolarHBondContact O-N 3.36Å; S172-T176 PolarHBondContact O-OG1 3.07Å; E173-T176 WeakPolarHBondContact CA-OG1 3.29Å; E173-T176 PolarHBondContact O-OG1 3.02Å; F174-T176 PolarHBondContact O-N 2.74Å; T176-Q180 WeakPolarHBondContact O-CG 3.27Å; T176-Q180 PolarHBondContact O-N 3.46Å
177	K	83.2	Confident	72.7	Confident	94 Å²	94	76.1 Å²	76.1	41%	0.409	44%	0.441	S	S	.	.	H	α-helix	trans	-72.3	-35.8	174.2	-69.9	170.3	-165.3	129.4	0	111.8	E173 F174 L175	E173-K177 WeakPolarHBondContact O-CD 3.34Å; E173-K177 WeakPolarHBondContact O-CE 3.32Å; E173-K177 WeakPolarHBondContact O-CG 3.28Å; E173-K177 PolarHBondContact O-NZ 3.23Å; E173-K177 IonicContact OE2-NZ 3.58Å; E173-K177 PolarHBondContact OE2-NZ 3.12Å; F174-K177 PolarHBondContact O-N 2.82Å; F174-K177 VanDerWaalsContact O-N 3.14Å; L175-K177 VanDerWaalsContact C-N 3.3Å; L175-K177 PolarHBondContact O-N 3.18Å
178	I	77.6	Confident	71.5	Confident	36 Å²	36	74.4 Å²	74.4	19%	0.185	43%	0.425	C	S	.	.	H	α-helix	trans	-66.9	-45.4	172.9	-74.1	175.7	0	0	0	111.1	V117 F174 L175 Q180 T181	V117-I178 HydrophobicContact CG1-CD1 3.94Å; F174-I178 HydrophobicContact CD1-CD1 3.7Å; F174-I178 HydrophobicContact CD1-CG1 4.47Å; F174-I178 HydrophobicContact CE1-CD1 3.31Å; F174-I178 HydrophobicContact CE1-CG1 4.28Å; F174-I178 HydrophobicContact CZ-CD1 3.9Å; F174-I178 PolarHBondContact O-N 3.35Å; L175-I178 PolarHBondContact O-N 2.85Å; L175-I178 VanDerWaalsContact O-N 3.14Å; I178-Q180 PolarHBondContact O-N 2.77Å; I178-T181 CarbonylContact O-C 3.48Å; I178-T181 WeakPolarHBondContact O-CA 3.36Å; I178-T181 PolarHBondContact O-N 2.68Å; I178-T181 PolarHBondContact O-OG1 3.06Å
179	A	74	Confident	70.7	Confident	75 Å²	75	73.3 Å²	73.3	62%	0.62	42%	0.422	S	S	*	.	H	α-helix	trans	-59.4	-31.2	179.8	0	0	0	0	0	113	L175 T181	L175-A179 PolarHBondContact O-N 3.13Å; A179-T181 VanDerWaalsContact C-N 3.28Å; A179-T181 PolarHBondContact O-N 2.64Å
180	Q	76.5	Confident	70.4	Confident	116 Å²	116	72.7 Å²	72.7	54%	0.542	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.2	173.2	-68.8	172.3	28.5	0	0	113.7	T176 I178	T176-Q180 WeakPolarHBondContact O-CG 3.27Å; T176-Q180 PolarHBondContact O-N 3.46Å; I178-Q180 PolarHBondContact O-N 2.77Å
181	T	65.9	Low	70	Confident	70 Å²	70	72.3 Å²	72.3	43%	0.429	41%	0.411	S	S	.	.	S	Bend	trans	-98.6	109.7	172.8	57.3	0	0	0	0	110.1	I178 A179 T183	I178-T181 CarbonylContact O-C 3.48Å; I178-T181 WeakPolarHBondContact O-CA 3.36Å; I178-T181 PolarHBondContact O-N 2.68Å; I178-T181 PolarHBondContact O-OG1 3.06Å; A179-T181 VanDerWaalsContact C-N 3.28Å; A179-T181 PolarHBondContact O-N 2.64Å; T181-T183 PolarHBondContact O-N 2.69Å; T181-T183 PolarHBondContact O-OG1 2.81Å
182	N	53.9	Low	69.5	Low	156 Å²	156	72.8 Å²	72.8	83%	0.834	42%	0.417	S	S	*	.	S	Bend	trans	-61.8	16	-173.8	-70.4	12.8	0	0	0	116.8	A184	N182-A184 PolarHBondContact O-N 2.84Å
183	T	54.1	Low	69.1	Low	110 Å²	110	75.6 Å²	75.6	68%	0.675	42%	0.424	S	S	*	.			trans	-72.2	37.8	161.8	32	0	0	0	0	112.4	T181 S185	T181-T183 PolarHBondContact O-N 2.69Å; T181-T183 PolarHBondContact O-OG1 2.81Å; T183-S185 PolarHBondContact O-N 3.24Å
184	A	45.6	Very low	68.8	Low	92 Å²	92	75.3 Å²	75.3	76%	0.76	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	33.2	-172	0	0	0	0	0	114.8	N182	N182-A184 PolarHBondContact O-N 2.84Å
185	S	48.5	Very low	68.6	Low	116 Å²	116	74.8 Å²	74.8	81%	0.811	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-4.4	-178.8	-170.7	0	0	0	0	113.7	T183	T183-S185 PolarHBondContact O-N 3.24Å
186	E	51.8	Low	68.7	Low	131 Å²	131	73.2 Å²	73.2	61%	0.612	42%	0.419	S	S	*	.	S	Bend	trans	-115.4	94.8	175.3	-67.3	178.9	178.3	0	0	107.4	L120 S188	L120-E186 VanDerWaalsContact CD1-OE2 3.29Å; L120-E186 WeakPolarHBondContact CD1-OE2 3.46Å; E186-S188 PolarHBondContact O-N 3Å; E186-S188 VanDerWaalsContact O-N 3.1Å
187	K	53.5	Low	68.9	Low	150 Å²	150	70.3 Å²	70.3	65%	0.652	40%	0.402	S	S	*	.			trans	-56.9	114.5	170.2	-77.7	-162.6	176.1	-162.1	0	107	E434	K187-E434 IonicContact NZ-OE1 3.03Å; K187-E434 PolarHBondContact NZ-OE1 3.07Å
188	S	57.7	Low	69.3	Low	36 Å²	36	66.6 Å²	66.6	25%	0.252	39%	0.386	S	S	.	.			trans	-77.8	124	178.9	53.6	0	0	0	0	110	L175 E186 L190	L175-S188 VanDerWaalsContact CD2-OG 3.29Å; L175-S188 WeakPolarHBondContact CD2-OG 3.29Å; E186-S188 PolarHBondContact O-N 3Å; E186-S188 VanDerWaalsContact O-N 3.1Å; S188-L190 PolarHBondContact O-N 3.35Å
189	D	68.9	Low	69.9	Low	41 Å²	41	65.4 Å²	65.4	22%	0.219	38%	0.38	C	S	.	.			trans	-67.6	29.6	-177.8	-56.2	-84	0	0	0	114.7	R116 R408	R116-D189 IonicContact CZ-OD2 2.72Å; R116-D189 IonicContact NH1-OD2 3.1Å; R116-D189 IonicContact NH2-OD2 3.55Å; R116-D189 PolarHBondContact NH2-OD2 2.93Å; D189-R408 IonicContact OD1-CZ 3.66Å; D189-R408 IonicContact OD1-NE 2.77Å; D189-R408 PolarHBondContact OD1-NE 3.46Å; D189-R408 IonicContact OD1-NH2 3.34Å; D189-R408 PolarHBondContact OD1-NH2 2.67Å
190	L	78.3	Confident	70.7	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.016	35%	0.35	C	S	.	.			trans	-78.7	133.6	-168.4	-68	168.4	0	0	0	112.7	D110 D113 T171 F174 L175 S188 R407	D110-L190 HydrophobicContact CB-CD2 4.18Å; D110-L190 WeakPolarHBondContact OD1-CA 3.34Å; D110-L190 WeakPolarHBondContact OD1-CD2 3.29Å; D113-L190 HydrophobicContact CB-CD2 3.75Å; T171-L190 HydrophobicContact CG2-CB 3.76Å; T171-L190 HydrophobicContact CG2-CD1 4.14Å; T171-L190 HydrophobicContact CG2-CD2 4.18Å; T171-L190 HydrophobicContact CG2-CG 4.24Å; F174-L190 HydrophobicContact CD1-CD1 3.79Å; F174-L190 HydrophobicContact CE1-CD1 4.24Å; L175-L190 HydrophobicContact CD1-CB 4.41Å; L175-L190 HydrophobicContact CD2-CB 4.24Å; L175-L190 HydrophobicContact CD2-CD1 3.79Å; L175-L190 HydrophobicContact CG-CB 4.42Å; L175-L190 HydrophobicContact CG-CD1 3.89Å; S188-L190 PolarHBondContact O-N 3.35Å; L190-R407 PolarHBondContact O-NH1 3.08Å
191	I	76	Confident	71.5	Confident	13 Å²	13	56.3 Å²	56.3	7%	0.067	32%	0.324	C	S	.	.			trans	-102.9	-34.5	-166.8	-65.4	160.5	0	0	0	111.7	D110 Q193 V409 R441	D110-I191 PolarHBondContact OD1-N 2.84Å; I191-Q193 PolarHBondContact O-N 3.01Å; I191-V409 HydrophobicContact CD1-CG2 3.72Å; I191-V409 HydrophobicContact CG1-CG2 4.14Å; I191-V409 HydrophobicContact CG2-CG2 4.11Å; I191-R441 PolarHBondContact O-NH1 3.14Å; I191-R441 PolarHBondContact O-NH2 2.86Å
192	G	74.1	Confident	72.8	Confident	15 Å²	15	53.9 Å²	53.9	16%	0.155	31%	0.308	C	S	.	.			trans	-82	104.8	-172.4	0	0	0	0	0	114.9	D110 S169 T171	D110-G192 WeakPolarHBondContact OD2-CA 3.45Å; D110-G192 PolarHBondContact OD2-N 3.33Å; S169-G192 PolarHBondContact OG-O 2.88Å; T171-G192 WeakPolarHBondContact CB-O 3.47Å; T171-G192 VanDerWaalsContact CG2-O 3.24Å; T171-G192 WeakPolarHBondContact CG2-O 3.37Å
193	Q	74.6	Confident	74.6	Confident	106 Å²	106	47.6 Å²	47.6	50%	0.495	27%	0.274	S	S	.	.			trans	-104.3	-50.9	176.3	-171.1	157.9	-39	0	0	113.6	S169 I191	S169-Q193 WeakPolarHBondContact CB-O 3.17Å; I191-Q193 PolarHBondContact O-N 3.01Å
194	F	79.1	Confident	76.5	Confident	70 Å²	70	42.4 Å²	42.4	31%	0.307	24%	0.242	S	C	.	.	S	Bend	trans	-73	-37.5	-167.9	-51.9	-55.3	0	0	0	115.3	A167 V196 R441	A167-F194 CarbonylContact C-O 3.44Å; A167-F194 WeakPolarHBondContact CA-O 3.46Å; F194-V196 HydrophobicContact CB-CG2 4.09Å; F194-R441 HydrophobicContact CE2-CG 4.17Å
195	G	81	Confident	78.8	Confident	22 Å²	22	38.1 Å²	38.1	23%	0.227	21%	0.206	C	C	.	.	S	Bend	trans	79.6	16.5	-175.6	0	0	0	0	0	115.4
196	V	85.6	Confident	80.9	Confident	16 Å²	16	38 Å²	38	10%	0.097	20%	0.197	C	C	.	.			trans	-101.6	-29.3	170.9	-62.8	0	0	0	0	113.7	I89 L93 I166 F194 F198 Y199 V439	I89-V196 HydrophobicContact CD1-CG1 4.14Å; L93-V196 HydrophobicContact CD2-CG2 4.28Å; I166-V196 HydrophobicContact CG2-CG1 4.37Å; F194-V196 HydrophobicContact CB-CG2 4.09Å; V196-F198 PolarHBondContact O-N 2.86Å; V196-Y199 WeakPolarHBondContact O-CD2 3.12Å; V196-Y199 PolarHBondContact O-N 3.26Å; V196-V439 HydrophobicContact CG2-CG1 4.07Å
197	G	86.2	Confident	82.8	Confident	8 Å²	8	34.3 Å²	34.3	8%	0.082	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-15.8	-169.5	0	0	0	0	0	117	E103 S200	E103-G197 WeakPolarHBondContact CB-O 3.35Å; G197-S200 PolarHBondContact O-OG 3.19Å
198	F	92	Very high	84.9	Confident	16 Å²	16	27.2 Å²	27.2	7%	0.07	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-34.1	170.3	170.1	-103.8	0	0	0	112.5	L104 L163 V196 S200 S201 V208 V210 W222 I246	L104-F198 HydrophobicContact CD2-CD2 3.94Å; L104-F198 HydrophobicContact CD2-CE2 4.4Å; L163-F198 HydrophobicContact CB-CE1 4.37Å; L163-F198 HydrophobicContact CD1-CE1 4.45Å; L163-F198 HydrophobicContact CD1-CZ 4.27Å; L163-F198 HydrophobicContact CD2-CD1 3.86Å; L163-F198 HydrophobicContact CD2-CD2 4.27Å; L163-F198 HydrophobicContact CD2-CE1 4.06Å; L163-F198 HydrophobicContact CD2-CE2 4.46Å; L163-F198 HydrophobicContact CD2-CG 3.96Å; L163-F198 HydrophobicContact CD2-CZ 4.36Å; V196-F198 PolarHBondContact O-N 2.86Å; F198-S200 VanDerWaalsContact C-N 3.25Å; F198-S200 PolarHBondContact O-N 3.29Å; F198-S201 WeakPolarHBondContact O-CB 3Å; F198-S201 PolarHBondContact O-N 3.43Å; F198-S201 PolarHBondContact O-OG 2.98Å; F198-V208 HydrophobicContact CE2-CG1 4.26Å; F198-V208 HydrophobicContact CZ-CG1 3.87Å; F198-V210 HydrophobicContact CE2-CG2 3.81Å; F198-V210 HydrophobicContact CZ-CG2 3.65Å; F198-W222 AromaticContact CE1-CH2 3.6Å; F198-W222 HydrophobicContact CE1-CH2 3.6Å; F198-W222 HydrophobicContact CE1-CZ2 4.26Å; F198-W222 AromaticContact CE1-CZ3 3.93Å; F198-W222 HydrophobicContact CE1-CZ3 3.93Å; F198-W222 HydrophobicContact CZ-CE3 4.48Å; F198-W222 AromaticContact CZ-CH2 3.94Å; F198-W222 HydrophobicContact CZ-CH2 3.94Å; F198-W222 AromaticContact CZ-CZ3 3.76Å; F198-W222 HydrophobicContact CZ-CZ3 3.76Å; F198-I246 HydrophobicContact CE2-CD1 4.37Å
199	Y	91.4	Very high	86.6	Confident	12 Å²	12	26.4 Å²	26.4	5%	0.047	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-73.6	-16	-176.9	-53.9	-67.8	0	0	0	112.9	M86 L163 T165 I166 V196 S201 F202	M86-Y199 HydrophobicContact CE-CD1 3.93Å; M86-Y199 HydrophobicContact CE-CG 4.23Å; M86-Y199 HydrophobicContact SD-CD1 3.94Å; M86-Y199 HydrophobicContact SD-CE1 4.35Å; M86-Y199 HydrophobicContact SD-CG 4.11Å; L163-Y199 PolarHBondContact O-OH 3.24Å; T165-Y199 PolarHBondContact O-OH 2.8Å; T165-Y199 VanDerWaalsContact O-OH 3.06Å; I166-Y199 HydrophobicContact CB-CE2 4.37Å; I166-Y199 HydrophobicContact CG1-CE2 3.89Å; V196-Y199 WeakPolarHBondContact O-CD2 3.12Å; V196-Y199 PolarHBondContact O-N 3.26Å; Y199-S201 PolarHBondContact O-N 3.43Å; Y199-F202 HydrophobicContact CD1-CE2 4.42Å; Y199-F202 WeakPolarHBondContact O-CD2 3.44Å; Y199-F202 PolarHBondContact O-N 3.28Å
200	S	91	Very high	87.9	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-55	-22.6	167.5	70.2	0	0	0	0	112.8	G197 F198 F202 L203	G197-S200 PolarHBondContact O-OG 3.19Å; F198-S200 VanDerWaalsContact C-N 3.25Å; F198-S200 PolarHBondContact O-N 3.29Å; S200-F202 PolarHBondContact O-N 2.84Å; S200-F202 VanDerWaalsContact O-N 3.1Å; S200-L203 WeakPolarHBondContact O-CB 3.49Å; S200-L203 WeakPolarHBondContact O-CD1 3.17Å; S200-L203 WeakPolarHBondContact O-CG 3.38Å; S200-L203 PolarHBondContact O-N 3.19Å
201	S	93.3	Very high	88.7	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-57.7	-21.2	172.2	60.3	0	0	0	0	114.4	F198 Y199 A205	F198-S201 WeakPolarHBondContact O-CB 3Å; F198-S201 PolarHBondContact O-N 3.43Å; F198-S201 PolarHBondContact O-OG 2.98Å; Y199-S201 PolarHBondContact O-N 3.43Å; S201-A205 VanDerWaalsContact O-CB 3.28Å; S201-A205 WeakPolarHBondContact O-CB 3.08Å; S201-A205 PolarHBondContact O-N 3.07Å
202	F	93	Very high	89.6	Confident	19 Å²	19	23.8 Å²	23.8	8%	0.083	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-79.9	-12.9	174.6	-68.1	-74.5	0	0	0	114.1	M86 V90 Y199 S200 V204 A205 V208	M86-F202 HydrophobicContact CE-CD2 4.16Å; M86-F202 HydrophobicContact CE-CE2 4.39Å; V90-F202 HydrophobicContact CG1-CB 4.19Å; V90-F202 HydrophobicContact CG2-CB 3.82Å; Y199-F202 HydrophobicContact CD1-CE2 4.42Å; Y199-F202 WeakPolarHBondContact O-CD2 3.44Å; Y199-F202 PolarHBondContact O-N 3.28Å; S200-F202 PolarHBondContact O-N 2.84Å; S200-F202 VanDerWaalsContact O-N 3.1Å; F202-V204 PolarHBondContact O-N 3.12Å; F202-A205 WeakPolarHBondContact CD1-O 3.39Å; F202-V208 HydrophobicContact CD1-CG2 4.01Å; F202-V208 HydrophobicContact CE1-CB 4.15Å; F202-V208 HydrophobicContact CE1-CG2 3.61Å; F202-V208 HydrophobicContact CE2-CG2 4.24Å; F202-V208 HydrophobicContact CG-CG2 4.47Å; F202-V208 HydrophobicContact CZ-CB 3.98Å; F202-V208 HydrophobicContact CZ-CG2 3.74Å
203	L	91.9	Very high	90.6	Very high	23 Å²	23	23.5 Å²	23.5	12%	0.12	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-54.9	-34.5	171	-74.1	162.8	0	0	0	112.4	V90 Y94 I99 S200	V90-L203 WeakPolarHBondContact O-CD2 3.24Å; Y94-L203 HydrophobicContact CD2-CD1 4.16Å; I99-L203 HydrophobicContact CD1-CD1 4.28Å; I99-L203 HydrophobicContact CG1-CD1 4.06Å; S200-L203 WeakPolarHBondContact O-CB 3.49Å; S200-L203 WeakPolarHBondContact O-CD1 3.17Å; S200-L203 WeakPolarHBondContact O-CG 3.38Å; S200-L203 PolarHBondContact O-N 3.19Å
204	V	93.5	Very high	91.4	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.099	C	C	.	.	S	Bend	trans	-120.1	-5.1	-172.7	-61.8	0	0	0	0	113.3	K97 F100 F202 L248 L250 T251 A254 Y257	K97-V204 HydrophobicContact CB-CG1 4.49Å; F100-V204 HydrophobicContact CB-CG2 4.24Å; F100-V204 HydrophobicContact CD1-CB 4.32Å; F100-V204 HydrophobicContact CD1-CG1 3.69Å; F100-V204 HydrophobicContact CD1-CG2 3.69Å; F100-V204 HydrophobicContact CD2-CG2 3.68Å; F100-V204 HydrophobicContact CE1-CB 4.45Å; F100-V204 HydrophobicContact CE1-CG1 3.95Å; F100-V204 HydrophobicContact CE1-CG2 3.93Å; F100-V204 HydrophobicContact CE2-CG2 3.94Å; F100-V204 HydrophobicContact CG-CG1 4.31Å; F100-V204 HydrophobicContact CG-CG2 3.56Å; F100-V204 HydrophobicContact CZ-CG2 4.05Å; F202-V204 PolarHBondContact O-N 3.12Å; V204-L248 HydrophobicContact CG2-CD1 4.43Å; V204-L250 HydrophobicContact CB-CD2 4.26Å; V204-L250 HydrophobicContact CG2-CD2 3.98Å; V204-L250 CarbonylContact O-C 3.6Å; V204-L250 WeakPolarHBondContact O-CA 3.17Å; V204-L250 WeakPolarHBondContact O-CD2 3.23Å; V204-T251 PolarHBondContact O-N 2.94Å; V204-A254 HydrophobicContact CB-CB 3.86Å; V204-A254 HydrophobicContact CG1-CB 4.32Å; V204-A254 WeakPolarHBondContact O-CB 3.38Å; V204-Y257 HydrophobicContact CB-CD2 4.46Å; V204-Y257 HydrophobicContact CG1-CD2 4Å; V204-Y257 HydrophobicContact CG1-CE2 3.64Å
205	A	93.7	Very high	91.7	Very high	2 Å²	2	17.6 Å²	17.6	2%	0.017	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	120.4	-171.3	0	0	0	0	0	113.7	S201 F202 K207 V208 L248 Y249 L250	S201-A205 VanDerWaalsContact O-CB 3.28Å; S201-A205 WeakPolarHBondContact O-CB 3.08Å; S201-A205 PolarHBondContact O-N 3.07Å; F202-A205 WeakPolarHBondContact CD1-O 3.39Å; A205-K207 PolarHBondContact O-N 3.04Å; A205-K207 VanDerWaalsContact O-N 3.12Å; A205-V208 HydrophobicContact CB-CG2 4.39Å; A205-L248 HydrophobicContact CB-CB 3.95Å; A205-L248 HydrophobicContact CB-CD2 4.47Å; A205-Y249 CarbonylContact C-O 3.44Å; A205-Y249 VanDerWaalsContact CA-O 3.24Å; A205-Y249 WeakPolarHBondContact CA-O 3.37Å; A205-Y249 WeakPolarHBondContact CB-O 3.38Å; A205-L250 HydrophobicContact CB-CD2 4.29Å
206	N	91.8	Very high	91.9	Very high	114 Å²	114	22.7 Å²	22.7	61%	0.61	12%	0.119	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	-17.5	173.9	-76.9	-44	0	0	0	113.6	Y249	N206-Y249 PolarHBondContact N-O 3.37Å; N206-Y249 VanDerWaalsContact N-O 3.12Å
207	K	93.4	Very high	92.1	Very high	54 Å²	54	24.1 Å²	24.1	24%	0.235	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	138.3	-176.5	172.4	175.7	-171.2	173.9	0	111.1	A205 E223 S224 N225 Y249	A205-K207 PolarHBondContact O-N 3.04Å; A205-K207 VanDerWaalsContact O-N 3.12Å; K207-E223 VanDerWaalsContact CE-CG 3.47Å; K207-E223 WeakPolarHBondContact CE-OE1 2.91Å; K207-E223 IonicContact NZ-OE1 3.74Å; K207-E223 PolarHBondContact NZ-OE1 3.14Å; K207-S224 WeakPolarHBondContact CA-O 2.97Å; K207-N225 WeakPolarHBondContact CG-OD1 3.38Å; K207-Y249 HydrophobicContact CB-CD2 4.14Å; K207-Y249 HydrophobicContact CB-CG 4.38Å; K207-Y249 HydrophobicContact CD-CD2 4.03Å; K207-Y249 HydrophobicContact CD-CE2 4.27Å; K207-Y249 HydrophobicContact CG-CD2 3.83Å; K207-Y249 HydrophobicContact CG-CE2 4.36Å; K207-Y249 HydrophobicContact CG-CG 4.47Å; K207-Y249 PolarHBondContact O-N 3.11Å
208	V	95.6	Very high	92.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	130	179.7	-179	0	0	0	0	109.4	F198 F202 A205 V210 W222 S224 I246 L248	F198-V208 HydrophobicContact CE2-CG1 4.26Å; F198-V208 HydrophobicContact CZ-CG1 3.87Å; F202-V208 HydrophobicContact CD1-CG2 4.01Å; F202-V208 HydrophobicContact CE1-CB 4.15Å; F202-V208 HydrophobicContact CE1-CG2 3.61Å; F202-V208 HydrophobicContact CE2-CG2 4.24Å; F202-V208 HydrophobicContact CG-CG2 4.47Å; F202-V208 HydrophobicContact CZ-CB 3.98Å; F202-V208 HydrophobicContact CZ-CG2 3.74Å; A205-V208 HydrophobicContact CB-CG2 4.39Å; V208-V210 HydrophobicContact CG1-CG2 4.04Å; V208-W222 HydrophobicContact CB-CZ3 4.35Å; V208-W222 HydrophobicContact CG1-CZ3 4.22Å; V208-S224 PolarHBondContact N-O 2.85Å; V208-S224 PolarHBondContact O-N 2.73Å; V208-I246 HydrophobicContact CG1-CG2 4.24Å; V208-L248 HydrophobicContact CB-CD2 4.5Å; V208-L248 HydrophobicContact CG1-CD2 4.05Å; V208-L248 HydrophobicContact CG2-CD2 3.91Å
209	L	95	Very high	92.4	Very high	19 Å²	19	26.1 Å²	26.1	10%	0.099	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	115	178.5	-172.9	161.7	0	0	0	109.2	V211 I221 W222 V247 Y249	L209-V211 HydrophobicContact CD2-CG2 3.43Å; L209-V211 VanDerWaalsContact CD2-CG2 3.43Å; L209-I221 HydrophobicContact CD1-CG2 4.25Å; L209-I221 HydrophobicContact CD2-CG2 3.63Å; L209-I221 HydrophobicContact CG-CG2 3.72Å; L209-W222 CarbonylContact C-O 3.52Å; L209-W222 WeakPolarHBondContact CA-O 3.48Å; L209-V247 HydrophobicContact CB-CB 4.39Å; L209-V247 PolarHBondContact N-O 3.1Å; L209-V247 PolarHBondContact O-N 2.86Å; L209-Y249 HydrophobicContact CB-CE2 4.15Å; L209-Y249 HydrophobicContact CD1-CE2 4.49Å
210	V	95.8	Very high	92.5	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	108.4	-176.8	-178.4	0	0	0	0	109.2	M154 L159 L163 F198 V208 I221 W222 T244 I246	M154-V210 HydrophobicContact CE-CG1 4.35Å; L159-V210 HydrophobicContact CD2-CG1 4.22Å; L163-V210 HydrophobicContact CD1-CB 4.3Å; L163-V210 HydrophobicContact CD1-CG1 4.02Å; L163-V210 HydrophobicContact CD1-CG2 4.2Å; F198-V210 HydrophobicContact CE2-CG2 3.81Å; F198-V210 HydrophobicContact CZ-CG2 3.65Å; V208-V210 HydrophobicContact CG1-CG2 4.04Å; V210-I221 WeakPolarHBondContact O-CA 3.26Å; V210-W222 HydrophobicContact CB-CB 4.31Å; V210-W222 HydrophobicContact CB-CE3 4.16Å; V210-W222 HydrophobicContact CG2-CE3 3.82Å; V210-W222 HydrophobicContact CG2-CZ3 4.18Å; V210-W222 PolarHBondContact N-O 2.83Å; V210-W222 PolarHBondContact O-N 2.98Å; V210-T244 HydrophobicContact CG1-CG2 3.4Å; V210-I246 HydrophobicContact CG1-CG1 4.32Å; V210-I246 HydrophobicContact CG2-CG1 4.28Å; V210-I246 HydrophobicContact CG2-CG2 4.44Å
211	V	95.3	Very high	92.7	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	116.5	172.9	-169.9	0	0	0	0	107.6	L209 Q219 H220 I221 L240 T244 E245	L209-V211 HydrophobicContact CD2-CG2 3.43Å; L209-V211 VanDerWaalsContact CD2-CG2 3.43Å; V211-Q219 HydrophobicContact CG1-CG 3.79Å; V211-H220 CarbonylContact C-O 3.54Å; V211-H220 WeakPolarHBondContact CA-O 3.43Å; V211-I221 HydrophobicContact CG1-CG1 4.27Å; V211-I221 HydrophobicContact CG2-CG1 4.26Å; V211-L240 HydrophobicContact CB-CD1 4.09Å; V211-L240 HydrophobicContact CG1-CD1 3.79Å; V211-L240 HydrophobicContact CG1-CG 4.37Å; V211-L240 VanDerWaalsContact O-CD1 3.25Å; V211-L240 WeakPolarHBondContact O-CD1 3.08Å; V211-T244 CarbonylContact O-C 3.33Å; V211-T244 VanDerWaalsContact O-CA 3.26Å; V211-T244 WeakPolarHBondContact O-CA 3.47Å; V211-T244 WeakPolarHBondContact O-CG2 3.26Å; V211-E245 HydrophobicContact CB-CB 4.2Å; V211-E245 PolarHBondContact N-O 2.88Å; V211-E245 PolarHBondContact O-N 3.33Å
212	S	95.4	Very high	92.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	150.3	179.6	-152.4	0	0	0	0	113.1	M154 Q219 H220 G243 T244	M154-S212 PolarHBondContact N-OG 2.83Å; S212-Q219 WeakPolarHBondContact O-CA 3.09Å; S212-H220 PolarHBondContact N-O 3.11Å; S212-H220 PolarHBondContact O-N 2.82Å; S212-G243 PolarHBondContact OG-O 2.96Å; S212-T244 PolarHBondContact OG-OG1 2.79Å
213	K	93.7	Very high	92.9	Very high	9 Å²	9	28 Å²	28	4%	0.039	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	101	178.8	172.5	58.8	-178.1	60.6	0	109.6	D217 Q219 N238 L240 K241 R242 G243	K213-D217 WeakPolarHBondContact CD-O 3.46Å; K213-D217 WeakPolarHBondContact CE-O 3.14Å; K213-D217 PolarHBondContact NZ-O 3.17Å; K213-Q219 HydrophobicContact CB-CB 4.24Å; K213-Q219 HydrophobicContact CB-CG 4.33Å; K213-Q219 HydrophobicContact CD-CB 4.29Å; K213-N238 HydrophobicContact CD-CB 4.45Å; K213-N238 WeakPolarHBondContact CE-ND2 2.92Å; K213-L240 HydrophobicContact CB-CB 4.1Å; K213-K241 WeakPolarHBondContact CG-O 3.42Å; K213-K241 PolarHBondContact NZ-O 3.48Å; K213-K241 VanDerWaalsContact NZ-O 3.16Å; K213-R242 WeakPolarHBondContact O-CA 3.36Å; K213-G243 PolarHBondContact N-O 3.3Å; K213-G243 PolarHBondContact O-N 3.39Å; K213-G243 VanDerWaalsContact O-N 3.11Å
214	S	91.3	Very high	93	Very high	4 Å²	4	27.1 Å²	27.1	3%	0.028	14%	0.141	C	C	.	.			trans	-77.4	152.1	164.5	-174.2	0	0	0	0	111.2	I152 M154 N216 D217	I152-S214 WeakPolarHBondContact O-CA 3.43Å; M154-S214 PolarHBondContact O-N 2.96Å; S214-N216 PolarHBondContact O-N 2.75Å; S214-D217 PolarHBondContact O-N 3.2Å
215	D	86.2	Confident	92.7	Very high	48 Å²	48	30.9 Å²	30.9	26%	0.257	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.8	174.3	-69.7	-33.3	0	0	0	113.2	M125 R242	M125-D215 HydrophobicContact SD-CB 4.48Å; D215-R242 WeakPolarHBondContact OD1-CD 3.45Å; D215-R242 WeakPolarHBondContact OD1-CG 3.28Å; D215-R242 WeakPolarHBondContact OD2-CD 3.25Å
216	N	85.2	Confident	92.3	Very high	129 Å²	129	33.3 Å²	33.3	69%	0.69	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-8.4	-177.7	-62.8	-65.4	0	0	0	114.7	T155 S214	T155-N216 HydrophobicContact CG2-CB 4.39Å; S214-N216 PolarHBondContact O-N 2.75Å
217	D	88.9	Confident	91.9	Very high	47 Å²	47	32.3 Å²	32.3	25%	0.251	18%	0.176	S	C	.	.	S	Bend	trans	-143.8	172.7	-169.7	-164.6	6.5	0	0	0	111.3	T155 E156 K213 S214 H220	T155-D217 WeakPolarHBondContact CA-OD2 3.28Å; T155-D217 HydrophobicContact CG2-CB 3.77Å; E156-D217 PolarHBondContact N-OD2 3.35Å; K213-D217 WeakPolarHBondContact CD-O 3.46Å; K213-D217 WeakPolarHBondContact CE-O 3.14Å; K213-D217 PolarHBondContact NZ-O 3.17Å; S214-D217 PolarHBondContact O-N 3.2Å; D217-H220 IonicContact OD1-CE1 2.77Å; D217-H220 PolarHBondContact OD1-CE1 2.72Å; D217-H220 IonicContact OD2-CE1 3.73Å; D217-H220 PolarHBondContact OD2-CE1 3.39Å; D217-H220 IonicContact OD2-ND1 3.33Å; D217-H220 PolarHBondContact OD2-ND1 3.09Å
218	D	91.4	Very high	91.6	Very high	65 Å²	65	33.5 Å²	33.5	35%	0.348	19%	0.191	S	C	.	.			trans	-83.3	169.8	169.6	-80.6	-46.6	0	0	0	111.6	H220 K233 N238	D218-H220 PolarHBondContact O-CE1 2.72Å; D218-H220 PolarHBondContact O-N 2.82Å; D218-H220 PolarHBondContact O-ND1 2.73Å; D218-K233 VanDerWaalsContact CG-NZ 3.31Å; D218-K233 IonicContact OD2-NZ 3.19Å; D218-K233 PolarHBondContact OD2-NZ 2.94Å; D218-N238 PolarHBondContact OD1-ND2 2.83Å; D218-N238 PolarHBondContact OD1-OD1 3.04Å
219	Q	93.3	Very high	91.5	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	21%	0.207	C	C	.	.			trans	-72.1	126.5	-179.4	-174.4	171.9	-47	0	0	111.9	V211 S212 K213 D234 G237 N238 L240	V211-Q219 HydrophobicContact CG1-CG 3.79Å; S212-Q219 WeakPolarHBondContact O-CA 3.09Å; K213-Q219 HydrophobicContact CB-CB 4.24Å; K213-Q219 HydrophobicContact CB-CG 4.33Å; K213-Q219 HydrophobicContact CD-CB 4.29Å; Q219-D234 HydrophobicContact CB-CB 4.23Å; Q219-D234 HydrophobicContact CG-CB 3.87Å; Q219-D234 PolarHBondContact NE2-OD2 3.39Å; Q219-D234 PolarHBondContact O-N 2.94Å; Q219-G237 PolarHBondContact OE1-O 3.18Å; Q219-N238 WeakPolarHBondContact CB-OD1 3.11Å; Q219-N238 PolarHBondContact N-OD1 3.12Å; Q219-L240 PolarHBondContact OE1-O 2.7Å
220	H	94.2	Very high	91.5	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.037	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	155.5	178.8	-69.3	95.6	0	0	0	111	L159 V211 S212 D217 D218 Y232	L159-H220 HydrophobicContact CD1-CB 3.73Å; V211-H220 CarbonylContact C-O 3.54Å; V211-H220 WeakPolarHBondContact CA-O 3.43Å; S212-H220 PolarHBondContact N-O 3.11Å; S212-H220 PolarHBondContact O-N 2.82Å; D217-H220 IonicContact OD1-CE1 2.77Å; D217-H220 PolarHBondContact OD1-CE1 2.72Å; D217-H220 IonicContact OD2-CE1 3.73Å; D217-H220 PolarHBondContact OD2-CE1 3.39Å; D217-H220 IonicContact OD2-ND1 3.33Å; D217-H220 PolarHBondContact OD2-ND1 3.09Å; D218-H220 PolarHBondContact O-CE1 2.72Å; D218-H220 PolarHBondContact O-N 2.82Å; D218-H220 PolarHBondContact O-ND1 2.73Å; H220-Y232 WeakPolarHBondContact CA-O 3.4Å
221	I	95.1	Very high	91.4	Very high	8 Å²	8	42 Å²	42	4%	0.041	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.2	173.2	-58.3	180	0	0	0	107.4	L209 V210 V211 V231 Y232 D234	L209-I221 HydrophobicContact CD1-CG2 4.25Å; L209-I221 HydrophobicContact CD2-CG2 3.63Å; L209-I221 HydrophobicContact CG-CG2 3.72Å; V210-I221 WeakPolarHBondContact O-CA 3.26Å; V211-I221 HydrophobicContact CG1-CG1 4.27Å; V211-I221 HydrophobicContact CG2-CG1 4.26Å; I221-V231 CarbonylContact O-C 3.57Å; I221-V231 WeakPolarHBondContact O-CA 3.39Å; I221-Y232 HydrophobicContact CB-CD1 4.4Å; I221-Y232 HydrophobicContact CB-CD2 4.45Å; I221-Y232 HydrophobicContact CB-CE1 3.99Å; I221-Y232 HydrophobicContact CB-CE2 4.04Å; I221-Y232 HydrophobicContact CD1-CE2 3.78Å; I221-Y232 HydrophobicContact CG1-CE2 4.33Å; I221-Y232 HydrophobicContact CG2-CE1 3.82Å; I221-Y232 HydrophobicContact CG2-CE2 4.47Å; I221-Y232 PolarHBondContact N-O 3.04Å; I221-Y232 PolarHBondContact O-N 3.41Å; I221-D234 HydrophobicContact CD1-CB 4.14Å; I221-D234 HydrophobicContact CG1-CB 4.04Å
222	W	95.5	Very high	91.3	Very high	3 Å²	3	46 Å²	46	1%	0.011	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132	164.3	176.9	110.3	0	0	0	107.1	L159 L163 F198 V208 L209 V210 F229 V230 V231	L159-W222 HydrophobicContact CD2-CB 4.22Å; L163-W222 HydrophobicContact CB-CD2 4.45Å; L163-W222 HydrophobicContact CB-CZ2 4.01Å; L163-W222 HydrophobicContact CD1-CD2 4.31Å; L163-W222 HydrophobicContact CD1-CG 4.44Å; L163-W222 WeakPolarHBondContact O-CZ2 3.28Å; F198-W222 AromaticContact CE1-CH2 3.6Å; F198-W222 HydrophobicContact CE1-CH2 3.6Å; F198-W222 HydrophobicContact CE1-CZ2 4.26Å; F198-W222 AromaticContact CE1-CZ3 3.93Å; F198-W222 HydrophobicContact CE1-CZ3 3.93Å; F198-W222 HydrophobicContact CZ-CE3 4.48Å; F198-W222 AromaticContact CZ-CH2 3.94Å; F198-W222 HydrophobicContact CZ-CH2 3.94Å; F198-W222 AromaticContact CZ-CZ3 3.76Å; F198-W222 HydrophobicContact CZ-CZ3 3.76Å; V208-W222 HydrophobicContact CB-CZ3 4.35Å; V208-W222 HydrophobicContact CG1-CZ3 4.22Å; L209-W222 CarbonylContact C-O 3.52Å; L209-W222 WeakPolarHBondContact CA-O 3.48Å; V210-W222 HydrophobicContact CB-CB 4.31Å; V210-W222 HydrophobicContact CB-CE3 4.16Å; V210-W222 HydrophobicContact CG2-CE3 3.82Å; V210-W222 HydrophobicContact CG2-CZ3 4.18Å; V210-W222 PolarHBondContact N-O 2.83Å; V210-W222 PolarHBondContact O-N 2.98Å; W222-F229 AromaticContact CD1-CD2 3.69Å; W222-F229 HydrophobicContact CD2-CB 4.31Å; W222-F229 AromaticContact CE2-CG 3.92Å; W222-F229 HydrophobicContact CZ2-CB 3.74Å; W222-F229 HydrophobicContact CZ2-CG 4.2Å; W222-F229 AromaticContact NE1-CD2 3.29Å; W222-F229 VanDerWaalsContact NE1-CD2 3.29Å; W222-F229 AromaticContact NE1-CE2 3.95Å; W222-F229 AromaticContact NE1-CG 3.44Å; W222-V230 CarbonylContact C-O 3.6Å; W222-V230 WeakPolarHBondContact CA-O 3.06Å; W222-V231 HydrophobicContact CB-CG2 4.4Å; W222-V231 HydrophobicContact CG-CG2 4.35Å
223	E	94.6	Very high	91.1	Very high	51 Å²	51	51.2 Å²	51.2	24%	0.238	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	125.9	-175.1	179.6	-177.9	155.6	0	0	109	K207 F229 V230 Y232	K207-E223 VanDerWaalsContact CE-CG 3.47Å; K207-E223 WeakPolarHBondContact CE-OE1 2.91Å; K207-E223 IonicContact NZ-OE1 3.74Å; K207-E223 PolarHBondContact NZ-OE1 3.14Å; E223-F229 CarbonylContact O-C 3.59Å; E223-F229 WeakPolarHBondContact O-CA 3.14Å; E223-V230 PolarHBondContact N-O 2.83Å; E223-V230 PolarHBondContact O-N 3.4Å; E223-Y232 HydrophobicContact CB-CE1 4.42Å
224	S	93.1	Very high	91.1	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.028	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	148.5	-176.3	-175.2	0	0	0	0	113.9	K207 V208 S226 S228	K207-S224 WeakPolarHBondContact CA-O 2.97Å; V208-S224 PolarHBondContact N-O 2.85Å; V208-S224 PolarHBondContact O-N 2.73Å; S224-S226 PolarHBondContact OG-N 3.25Å; S224-S228 WeakPolarHBondContact CA-O 3.22Å; S224-S228 PolarHBondContact OG-O 3.05Å
225	N	88.8	Confident	90.9	Very high	81 Å²	81	56.7 Å²	56.7	43%	0.433	31%	0.311	S	S	.	.			trans	-123.3	57	173.1	-59.6	4.2	0	0	0	109.1	K207 T227 S228	K207-N225 WeakPolarHBondContact CG-OD1 3.38Å; N225-T227 PolarHBondContact O-N 2.69Å; N225-T227 PolarHBondContact O-OG1 3.36Å; N225-S228 PolarHBondContact N-O 2.77Å
226	S	84.1	Confident	91.1	Very high	52 Å²	52	60.6 Å²	60.6	36%	0.364	32%	0.322	S	S	.	.	S	Bend	trans	53.4	-60	-169.8	67.8	0	0	0	0	116.3	S224 S228	S224-S226 PolarHBondContact OG-N 3.25Å; S226-S228 PolarHBondContact O-N 2.78Å
227	T	84.7	Confident	91.1	Very high	94 Å²	94	55.9 Å²	55.9	58%	0.577	30%	0.304	S	S	*	.	S	Bend	trans	-59.7	-31.6	-178.3	54.5	0	0	0	0	116.1	N225	N225-T227 PolarHBondContact O-N 2.69Å; N225-T227 PolarHBondContact O-OG1 3.36Å
228	S	87	Confident	90.9	Very high	78 Å²	78	57.3 Å²	57.3	55%	0.545	31%	0.311	S	S	.	.			trans	-161.5	148.9	-178.4	57.7	0	0	0	0	112.1	S224 N225 S226	S224-S228 WeakPolarHBondContact CA-O 3.22Å; S224-S228 PolarHBondContact OG-O 3.05Å; N225-S228 PolarHBondContact N-O 2.77Å; S226-S228 PolarHBondContact O-N 2.78Å
229	F	92.6	Very high	90.8	Very high	79 Å²	79	58.3 Å²	58.3	35%	0.346	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	152.5	-179.2	69.2	-92.2	0	0	0	113.1	T160 G164 W222 E223 V231	T160-F229 HydrophobicContact CG2-CE2 4.41Å; G164-F229 VanDerWaalsContact CA-CE1 3.41Å; W222-F229 AromaticContact CD1-CD2 3.69Å; W222-F229 HydrophobicContact CD2-CB 4.31Å; W222-F229 AromaticContact CE2-CG 3.92Å; W222-F229 HydrophobicContact CZ2-CB 3.74Å; W222-F229 HydrophobicContact CZ2-CG 4.2Å; W222-F229 AromaticContact NE1-CD2 3.29Å; W222-F229 VanDerWaalsContact NE1-CD2 3.29Å; W222-F229 AromaticContact NE1-CE2 3.95Å; W222-F229 AromaticContact NE1-CG 3.44Å; E223-F229 CarbonylContact O-C 3.59Å; E223-F229 WeakPolarHBondContact O-CA 3.14Å; F229-V231 HydrophobicContact CD2-CG2 3.99Å; F229-V231 HydrophobicContact CE2-CG2 4.1Å
230	V	94.3	Very high	90.3	Very high	85 Å²	85	59.5 Å²	59.5	52%	0.515	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.4	176.9	-174.5	0	0	0	0	109.3	W222 E223 Y232	W222-V230 CarbonylContact C-O 3.6Å; W222-V230 WeakPolarHBondContact CA-O 3.06Å; E223-V230 PolarHBondContact N-O 2.83Å; E223-V230 PolarHBondContact O-N 3.4Å; V230-Y232 HydrophobicContact CG1-CD1 4.25Å
231	V	93.7	Very high	89.9	Confident	35 Å²	35	64.6 Å²	64.6	21%	0.212	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.8	173.7	-172.3	0	0	0	0	110	E156 I221 W222 F229	E156-V231 HydrophobicContact CG-CG1 4.17Å; I221-V231 CarbonylContact O-C 3.57Å; I221-V231 WeakPolarHBondContact O-CA 3.39Å; W222-V231 HydrophobicContact CB-CG2 4.4Å; W222-V231 HydrophobicContact CG-CG2 4.35Å; F229-V231 HydrophobicContact CD2-CG2 3.99Å; F229-V231 HydrophobicContact CE2-CG2 4.1Å
232	Y	93.5	Very high	89.7	Confident	84 Å²	84	64.6 Å²	64.6	33%	0.329	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	160.2	176.4	65.8	-85.3	0	0	0	112.4	H220 I221 E223 V230	H220-Y232 WeakPolarHBondContact CA-O 3.4Å; I221-Y232 HydrophobicContact CB-CD1 4.4Å; I221-Y232 HydrophobicContact CB-CD2 4.45Å; I221-Y232 HydrophobicContact CB-CE1 3.99Å; I221-Y232 HydrophobicContact CB-CE2 4.04Å; I221-Y232 HydrophobicContact CD1-CE2 3.78Å; I221-Y232 HydrophobicContact CG1-CE2 4.33Å; I221-Y232 HydrophobicContact CG2-CE1 3.82Å; I221-Y232 HydrophobicContact CG2-CE2 4.47Å; I221-Y232 PolarHBondContact N-O 3.04Å; I221-Y232 PolarHBondContact O-N 3.41Å; E223-Y232 HydrophobicContact CB-CE1 4.42Å; V230-Y232 HydrophobicContact CG1-CD1 4.25Å
233	K	92.6	Very high	89.6	Confident	110 Å²	110	64.4 Å²	64.4	48%	0.478	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	136.5	-179	-171.9	168.1	-170.2	139.5	0	112.3	D218 P235	D218-K233 VanDerWaalsContact CG-NZ 3.31Å; D218-K233 IonicContact OD2-NZ 3.19Å; D218-K233 PolarHBondContact OD2-NZ 2.94Å; K233-P235 WeakPolarHBondContact O-CD 3.13Å
234	D	92.1	Very high	89.6	Confident	8 Å²	8	62.3 Å²	62.3	4%	0.043	34%	0.338	C	S	.	.			trans	-67.4	121.8	-175	-164.5	-40	0	0	0	112.1	Q219 I221 R236 G237	Q219-D234 HydrophobicContact CB-CB 4.23Å; Q219-D234 HydrophobicContact CG-CB 3.87Å; Q219-D234 PolarHBondContact NE2-OD2 3.39Å; Q219-D234 PolarHBondContact O-N 2.94Å; I221-D234 HydrophobicContact CD1-CB 4.14Å; I221-D234 HydrophobicContact CG1-CB 4.04Å; D234-R236 PolarHBondContact O-N 3.22Å; D234-R236 WeakPolarHBondContact OD1-CA 3.47Å; D234-R236 WeakPolarHBondContact OD1-CB 3.42Å; D234-R236 WeakPolarHBondContact OD1-CG 2.95Å; D234-R236 PolarHBondContact OD1-N 2.94Å; D234-R236 IonicContact OD1-NE 2.65Å; D234-R236 PolarHBondContact OD1-NE 2.67Å; D234-R236 VanDerWaalsContact OD1-NE 3.1Å; D234-R236 IonicContact OD2-CZ 2.8Å; D234-R236 VanDerWaalsContact OD2-CZ 3.24Å; D234-R236 IonicContact OD2-NE 2.81Å; D234-R236 PolarHBondContact OD2-NE 3.41Å; D234-R236 IonicContact OD2-NH2 2.66Å; D234-R236 PolarHBondContact OD2-NH2 2.81Å; D234-G237 PolarHBondContact O-N 2.82Å
235	P	88.8	Confident	89.7	Confident	120 Å²	120	63.2 Å²	63.2	78%	0.779	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-15.4	178.6	29.3	-36.6	0	0	0	114	K233 G237	K233-P235 WeakPolarHBondContact O-CD 3.13Å; P235-G237 VanDerWaalsContact C-N 3.27Å
236	R	88.8	Confident	90.1	Very high	131 Å²	131	60.3 Å²	60.3	49%	0.494	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-22.2	172	-55.9	174.9	-75.5	-178.5	-0.2	111.6	D234 T239 E245	D234-R236 PolarHBondContact O-N 3.22Å; D234-R236 WeakPolarHBondContact OD1-CA 3.47Å; D234-R236 WeakPolarHBondContact OD1-CB 3.42Å; D234-R236 WeakPolarHBondContact OD1-CG 2.95Å; D234-R236 PolarHBondContact OD1-N 2.94Å; D234-R236 IonicContact OD1-NE 2.65Å; D234-R236 PolarHBondContact OD1-NE 2.67Å; D234-R236 VanDerWaalsContact OD1-NE 3.1Å; D234-R236 IonicContact OD2-CZ 2.8Å; D234-R236 VanDerWaalsContact OD2-CZ 3.24Å; D234-R236 IonicContact OD2-NE 2.81Å; D234-R236 PolarHBondContact OD2-NE 3.41Å; D234-R236 IonicContact OD2-NH2 2.66Å; D234-R236 PolarHBondContact OD2-NH2 2.81Å; R236-T239 WeakPolarHBondContact CB-OG1 3.41Å; R236-E245 IonicContact NH1-OE2 3.39Å
237	G	85.2	Confident	90.7	Very high	29 Å²	29	58.2 Å²	58.2	30%	0.299	31%	0.311	S	S	.	.			trans	73.4	-171.2	-165.4	0	0	0	0	0	112	Q219 D234 P235 T239	Q219-G237 PolarHBondContact OE1-O 3.18Å; D234-G237 PolarHBondContact O-N 2.82Å; P235-G237 VanDerWaalsContact C-N 3.27Å; G237-T239 VanDerWaalsContact C-N 3.31Å; G237-T239 PolarHBondContact O-N 2.77Å; G237-T239 PolarHBondContact O-OG1 2.58Å
238	N	86.3	Confident	91.2	Very high	77 Å²	77	53.8 Å²	53.8	41%	0.412	28%	0.283	S	S	.	.	S	Bend	trans	-68	87.4	-174.1	-53.5	-7.7	0	0	0	110.2	K213 D218 Q219 L240	K213-N238 HydrophobicContact CD-CB 4.45Å; K213-N238 WeakPolarHBondContact CE-ND2 2.92Å; D218-N238 PolarHBondContact OD1-ND2 2.83Å; D218-N238 PolarHBondContact OD1-OD1 3.04Å; Q219-N238 WeakPolarHBondContact CB-OD1 3.11Å; Q219-N238 PolarHBondContact N-OD1 3.12Å; N238-L240 CarbonylContact C-O 3.57Å
239	T	87.9	Confident	91.6	Very high	87 Å²	87	54.3 Å²	54.3	53%	0.534	27%	0.274	S	S	.	.			trans	-98.4	-42.6	-175.4	-53.8	0	0	0	0	109.4	R236 G237	R236-T239 WeakPolarHBondContact CB-OG1 3.41Å; G237-T239 VanDerWaalsContact C-N 3.31Å; G237-T239 PolarHBondContact O-N 2.77Å; G237-T239 PolarHBondContact O-OG1 2.58Å
240	L	83.9	Confident	91.7	Very high	26 Å²	26	50.8 Å²	50.8	14%	0.136	26%	0.259	C	S	.	.	S	Bend	trans	-67.8	135.9	150.1	-52	-179.2	0	0	0	106.9	V211 K213 Q219 N238 E245	V211-L240 HydrophobicContact CB-CD1 4.09Å; V211-L240 HydrophobicContact CG1-CD1 3.79Å; V211-L240 HydrophobicContact CG1-CG 4.37Å; V211-L240 VanDerWaalsContact O-CD1 3.25Å; V211-L240 WeakPolarHBondContact O-CD1 3.08Å; K213-L240 HydrophobicContact CB-CB 4.1Å; Q219-L240 PolarHBondContact OE1-O 2.7Å; N238-L240 CarbonylContact C-O 3.57Å; L240-E245 HydrophobicContact CD1-CB 4.07Å; L240-E245 HydrophobicContact CD2-CB 4.07Å
241	K	85.1	Confident	91.6	Very high	114 Å²	114	47.4 Å²	47.4	50%	0.496	24%	0.239	S	C	.	.	S	Bend	trans	-78	-49.5	173	-53.3	-179.2	-171.4	168.1	0	110.4	E128 K213	E128-K241 HydrophobicContact CB-CB 4.29Å; E128-K241 HydrophobicContact CB-CD 4.43Å; E128-K241 WeakPolarHBondContact O-CD 3.35Å; E128-K241 PolarHBondContact O-NZ 3.15Å; K213-K241 WeakPolarHBondContact CG-O 3.42Å; K213-K241 PolarHBondContact NZ-O 3.48Å; K213-K241 VanDerWaalsContact NZ-O 3.16Å
242	R	90.7	Very high	91.3	Very high	8 Å²	8	53 Å²	53	3%	0.03	26%	0.262	C	S	.	.	S	Bend	trans	-157.5	149.4	-177.8	-165.4	-168	63.8	-126.3	-9.2	107.9	M125 S129 T150 G151 K213 D215	M125-R242 PolarHBondContact O-NH1 2.93Å; S129-R242 PolarHBondContact O-NH1 2.91Å; S129-R242 PolarHBondContact O-NH2 3.22Å; T150-R242 PolarHBondContact O-NE 3.17Å; T150-R242 PolarHBondContact O-NH2 3.36Å; G151-R242 WeakPolarHBondContact O-CD 3.12Å; G151-R242 VanDerWaalsContact O-CG 3.28Å; G151-R242 WeakPolarHBondContact O-CG 3.22Å; G151-R242 PolarHBondContact O-NE 3.15Å; K213-R242 WeakPolarHBondContact O-CA 3.36Å; D215-R242 WeakPolarHBondContact OD1-CD 3.45Å; D215-R242 WeakPolarHBondContact OD1-CG 3.28Å; D215-R242 WeakPolarHBondContact OD2-CD 3.25Å
243	G	93.2	Very high	91.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	99.5	-163.1	-177.1	0	0	0	0	0	113.3	S212 K213	S212-G243 PolarHBondContact OG-O 2.96Å; K213-G243 PolarHBondContact N-O 3.3Å; K213-G243 PolarHBondContact O-N 3.39Å; K213-G243 VanDerWaalsContact O-N 3.11Å
244	T	95.4	Very high	91	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.037	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.6	-174.5	-38.6	0	0	0	0	111.6	I148 D149 M154 V210 V211 S212 I246	I148-T244 WeakPolarHBondContact CA-O 3.43Å; D149-T244 PolarHBondContact N-O 2.85Å; D149-T244 PolarHBondContact O-N 2.77Å; D149-T244 VanDerWaalsContact OD1-CA 3.27Å; D149-T244 WeakPolarHBondContact OD1-CA 3.17Å; D149-T244 WeakPolarHBondContact OD1-CB 3.35Å; D149-T244 PolarHBondContact OD1-N 3.1Å; D149-T244 PolarHBondContact OD1-OG1 3.48Å; D149-T244 VanDerWaalsContact OD1-OG1 3.08Å; M154-T244 HydrophobicContact CE-CG2 4.44Å; V210-T244 HydrophobicContact CG1-CG2 3.4Å; V211-T244 CarbonylContact O-C 3.33Å; V211-T244 VanDerWaalsContact O-CA 3.26Å; V211-T244 WeakPolarHBondContact O-CA 3.47Å; V211-T244 WeakPolarHBondContact O-CG2 3.26Å; S212-T244 PolarHBondContact OG-OG1 2.79Å; T244-I246 HydrophobicContact CG2-CG1 4.09Å
245	E	95.7	Very high	90.8	Very high	24 Å²	24	54.4 Å²	54.4	11%	0.112	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	113.6	163.6	164.6	-179.9	-143.2	0	0	107.2	H146 I148 V211 R236 L240 V247	H146-E245 IonicContact CE1-OE1 2.84Å; H146-E245 IonicContact ND1-OE1 3.9Å; H146-E245 PolarHBondContact ND1-OE1 2.82Å; I148-E245 HydrophobicContact CG1-CB 4.14Å; I148-E245 HydrophobicContact CG1-CG 4.09Å; V211-E245 HydrophobicContact CB-CB 4.2Å; V211-E245 PolarHBondContact N-O 2.88Å; V211-E245 PolarHBondContact O-N 3.33Å; R236-E245 IonicContact NH1-OE2 3.39Å; L240-E245 HydrophobicContact CD1-CB 4.07Å; L240-E245 HydrophobicContact CD2-CB 4.07Å; E245-V247 HydrophobicContact CG-CG2 3.77Å
246	I	96.3	Very high	91	Very high	19 Å²	19	53.3 Å²	53.3	10%	0.097	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.4	172.3	-57.9	-180	0	0	0	107.3	L104 H146 I147 F198 V208 V210 T244 L248	L104-I246 HydrophobicContact CD2-CD1 3.87Å; H146-I246 WeakPolarHBondContact CA-O 3.32Å; I147-I246 PolarHBondContact N-O 2.95Å; I147-I246 PolarHBondContact O-N 2.82Å; F198-I246 HydrophobicContact CE2-CD1 4.37Å; V208-I246 HydrophobicContact CG1-CG2 4.24Å; V210-I246 HydrophobicContact CG1-CG1 4.32Å; V210-I246 HydrophobicContact CG2-CG1 4.28Å; V210-I246 HydrophobicContact CG2-CG2 4.44Å; T244-I246 HydrophobicContact CG2-CG1 4.09Å; I246-L248 HydrophobicContact CG2-CD2 3.89Å; I246-L248 HydrophobicContact CG2-CG 4.5Å
247	V	96.1	Very high	91.2	Very high	9 Å²	9	48.5 Å²	48.5	6%	0.055	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	112.3	178.4	-170.5	0	0	0	0	108.5	T144 L209 E245 Y249	T144-V247 HydrophobicContact CG2-CG1 3.96Å; L209-V247 HydrophobicContact CB-CB 4.39Å; L209-V247 PolarHBondContact N-O 3.1Å; L209-V247 PolarHBondContact O-N 2.86Å; E245-V247 HydrophobicContact CG-CG2 3.77Å; V247-Y249 HydrophobicContact CG1-CE2 4.22Å
248	L	96.6	Very high	91.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.8	174.7	-52.5	-178	0	0	0	108.8	F100 L104 T144 L145 I147 V204 A205 V208 I246 L250	F100-L248 HydrophobicContact CD2-CD1 3.65Å; F100-L248 HydrophobicContact CE2-CD1 3.51Å; L104-L248 HydrophobicContact CD1-CD1 3.9Å; L104-L248 HydrophobicContact CD1-CD2 4.24Å; L104-L248 HydrophobicContact CD1-CG 4.5Å; T144-L248 WeakPolarHBondContact CA-O 3.45Å; L145-L248 HydrophobicContact CB-CB 4.37Å; L145-L248 HydrophobicContact CD2-CD1 4.45Å; L145-L248 PolarHBondContact N-O 3.37Å; L145-L248 PolarHBondContact O-N 2.99Å; I147-L248 HydrophobicContact CD1-CD1 4.43Å; V204-L248 HydrophobicContact CG2-CD1 4.43Å; A205-L248 HydrophobicContact CB-CB 3.95Å; A205-L248 HydrophobicContact CB-CD2 4.47Å; V208-L248 HydrophobicContact CB-CD2 4.5Å; V208-L248 HydrophobicContact CG1-CD2 4.05Å; V208-L248 HydrophobicContact CG2-CD2 3.91Å; I246-L248 HydrophobicContact CG2-CD2 3.89Å; I246-L248 HydrophobicContact CG2-CG 4.5Å; L248-L250 HydrophobicContact CB-CD2 3.86Å; L248-L250 HydrophobicContact CD1-CD2 4.46Å
249	Y	95.1	Very high	91.8	Very high	89 Å²	89	46.8 Å²	46.8	35%	0.349	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	101.4	169.9	-69	-95.4	0	0	0	108.3	T144 A205 N206 K207 L209 V247	T144-Y249 HydrophobicContact CG2-CD1 3.53Å; T144-Y249 HydrophobicContact CG2-CE1 3.57Å; T144-Y249 HydrophobicContact CG2-CG 4.08Å; A205-Y249 CarbonylContact C-O 3.44Å; A205-Y249 VanDerWaalsContact CA-O 3.24Å; A205-Y249 WeakPolarHBondContact CA-O 3.37Å; A205-Y249 WeakPolarHBondContact CB-O 3.38Å; N206-Y249 PolarHBondContact N-O 3.37Å; N206-Y249 VanDerWaalsContact N-O 3.12Å; K207-Y249 HydrophobicContact CB-CD2 4.14Å; K207-Y249 HydrophobicContact CB-CG 4.38Å; K207-Y249 HydrophobicContact CD-CD2 4.03Å; K207-Y249 HydrophobicContact CD-CE2 4.27Å; K207-Y249 HydrophobicContact CG-CD2 3.83Å; K207-Y249 HydrophobicContact CG-CE2 4.36Å; K207-Y249 HydrophobicContact CG-CG 4.47Å; K207-Y249 PolarHBondContact O-N 3.11Å; L209-Y249 HydrophobicContact CB-CE2 4.15Å; L209-Y249 HydrophobicContact CD1-CE2 4.49Å; V247-Y249 HydrophobicContact CG1-CE2 4.22Å
250	L	94.2	Very high	91.8	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	153.4	-164.7	-58.2	-177.9	0	0	0	113.1	R143 L145 V204 A205 L248 A254 L258	R143-L250 PolarHBondContact NH2-O 3.45Å; R143-L250 PolarHBondContact O-N 2.78Å; L145-L250 HydrophobicContact CB-CD1 4.24Å; L145-L250 HydrophobicContact CB-CD2 4.45Å; L145-L250 HydrophobicContact CB-CG 4.5Å; V204-L250 HydrophobicContact CB-CD2 4.26Å; V204-L250 HydrophobicContact CG2-CD2 3.98Å; V204-L250 CarbonylContact O-C 3.6Å; V204-L250 WeakPolarHBondContact O-CA 3.17Å; V204-L250 WeakPolarHBondContact O-CD2 3.23Å; A205-L250 HydrophobicContact CB-CD2 4.29Å; L248-L250 HydrophobicContact CB-CD2 3.86Å; L248-L250 HydrophobicContact CD1-CD2 4.46Å; L250-A254 HydrophobicContact CB-CB 4.18Å; L250-A254 WeakPolarHBondContact CD1-O 3.48Å; L250-L258 HydrophobicContact CD1-CD1 4.44Å; L250-L258 HydrophobicContact CD1-CD2 3.57Å; L250-L258 HydrophobicContact CD1-CG 3.77Å
251	T	92.2	Very high	92.2	Very high	15 Å²	15	46 Å²	46	9%	0.092	22%	0.217	C	C	.	.			trans	-64.5	-174	170.9	61	0	0	0	0	111.1	R143 V204 A254	R143-T251 PolarHBondContact NE-O 3.39Å; R143-T251 VanDerWaalsContact NH2-C 3.28Å; R143-T251 PolarHBondContact NH2-O 3.45Å; V204-T251 PolarHBondContact O-N 2.94Å; T251-A254 WeakPolarHBondContact OG1-CB 3.18Å; T251-A254 PolarHBondContact OG1-N 3.27Å
252	E	88	Confident	92.5	Very high	151 Å²	151	42.4 Å²	42.4	71%	0.706	20%	0.204	S	C	*	.	S	Bend	trans	-88.3	-30.9	175	-66.9	-169	169.7	0	0	111.5	R143 A254	R143-E252 VanDerWaalsContact CZ-CG 3.46Å; R143-E252 IonicContact CZ-OE1 3.26Å; R143-E252 VanDerWaalsContact NH1-CG 3.33Å; R143-E252 IonicContact NH1-OE1 3.02Å; R143-E252 PolarHBondContact NH1-OE1 2.71Å; R143-E252 IonicContact NH2-OE1 2.67Å; E252-A254 VanDerWaalsContact C-N 3.32Å; E252-A254 PolarHBondContact O-N 3.44Å
253	E	88.9	Confident	92.6	Very high	135 Å²	135	42 Å²	42	63%	0.631	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-62.4	-35.5	166.9	-61.6	149.4	-118.7	0	0	112.9	K97 E255	K97-E253 IonicContact NZ-OE2 2.74Å; K97-E253 PolarHBondContact NZ-OE2 2.72Å; E253-E255 VanDerWaalsContact C-N 3.29Å; E253-E255 PolarHBondContact O-N 3.35Å
254	A	90	Very high	92.5	Very high	5 Å²	5	43.8 Å²	43.8	4%	0.041	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-86.9	21.4	-171.6	0	0	0	0	0	114.6	V204 L250 T251 E252 D256 Y257	V204-A254 HydrophobicContact CB-CB 3.86Å; V204-A254 HydrophobicContact CG1-CB 4.32Å; V204-A254 WeakPolarHBondContact O-CB 3.38Å; L250-A254 HydrophobicContact CB-CB 4.18Å; L250-A254 WeakPolarHBondContact CD1-O 3.48Å; T251-A254 WeakPolarHBondContact OG1-CB 3.18Å; T251-A254 PolarHBondContact OG1-N 3.27Å; E252-A254 VanDerWaalsContact C-N 3.32Å; E252-A254 PolarHBondContact O-N 3.44Å; A254-D256 PolarHBondContact O-N 3.39Å; A254-Y257 HydrophobicContact CB-CD2 4.1Å; A254-Y257 PolarHBondContact O-N 3.31Å
255	E	88.8	Confident	92.3	Very high	93 Å²	93	48.1 Å²	48.1	44%	0.435	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-67.9	-24	-177	-153.5	173.9	141.7	0	0	112.9	E253 Y257 L258	E253-E255 VanDerWaalsContact C-N 3.29Å; E253-E255 PolarHBondContact O-N 3.35Å; E255-Y257 VanDerWaalsContact C-N 3.3Å; E255-Y257 PolarHBondContact O-N 2.84Å; E255-L258 HydrophobicContact CG-CD1 3.81Å; E255-L258 VanDerWaalsContact O-CB 3.25Å; E255-L258 WeakPolarHBondContact O-CB 3.06Å; E255-L258 PolarHBondContact O-N 2.75Å
256	D	91.8	Very high	92.1	Very high	96 Å²	96	47 Å²	47	51%	0.513	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-63.5	-31	179.5	-61.2	-49.1	0	0	0	113.5	A254 L258 Q259	A254-D256 PolarHBondContact O-N 3.39Å; D256-L258 PolarHBondContact O-N 2.73Å; D256-Q259 VanDerWaalsContact O-CB 3.28Å; D256-Q259 WeakPolarHBondContact O-CB 3.31Å; D256-Q259 VanDerWaalsContact O-CG 3.27Å; D256-Q259 WeakPolarHBondContact O-CG 3.32Å; D256-Q259 PolarHBondContact O-N 3.16Å
257	Y	93.2	Very high	91.8	Very high	30 Å²	30	46.1 Å²	46.1	12%	0.118	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-70.4	4.8	172.5	-54.9	-62.6	0	0	0	113.6	E98 F100 V204 A254 E255 T262 L263 V266	E98-Y257 HydrophobicContact CG-CE1 4.47Å; F100-Y257 AromaticContact CE1-CD1 3.95Å; F100-Y257 HydrophobicContact CE1-CD1 3.95Å; F100-Y257 AromaticContact CE1-CD2 3.89Å; F100-Y257 HydrophobicContact CE1-CD2 3.89Å; F100-Y257 HydrophobicContact CE1-CE1 4.09Å; F100-Y257 HydrophobicContact CE1-CE2 4.02Å; F100-Y257 AromaticContact CE1-CG 3.86Å; F100-Y257 HydrophobicContact CE1-CG 3.86Å; F100-Y257 HydrophobicContact CZ-CD1 4.35Å; F100-Y257 HydrophobicContact CZ-CD2 4.37Å; F100-Y257 HydrophobicContact CZ-CG 4.07Å; V204-Y257 HydrophobicContact CB-CD2 4.46Å; V204-Y257 HydrophobicContact CG1-CD2 4Å; V204-Y257 HydrophobicContact CG1-CE2 3.64Å; A254-Y257 HydrophobicContact CB-CD2 4.1Å; A254-Y257 PolarHBondContact O-N 3.31Å; E255-Y257 VanDerWaalsContact C-N 3.3Å; E255-Y257 PolarHBondContact O-N 2.84Å; Y257-T262 HydrophobicContact CD1-CG2 4.21Å; Y257-T262 HydrophobicContact CE1-CG2 4.41Å; Y257-L263 WeakPolarHBondContact O-CD1 3.07Å; Y257-L263 WeakPolarHBondContact O-CG 3.43Å; Y257-V266 HydrophobicContact CE1-CG2 4.35Å
258	L	92.3	Very high	91.4	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-95.8	-5.1	165.3	-55	173.5	0	0	0	113.4	A138 K140 R143 L250 E255 D256	A138-L258 HydrophobicContact CB-CB 4.22Å; A138-L258 HydrophobicContact CB-CD2 4.07Å; A138-L258 WeakPolarHBondContact CB-O 3.22Å; K140-L258 WeakPolarHBondContact CE-O 3.29Å; K140-L258 HydrophobicContact CG-CB 3.91Å; R143-L258 HydrophobicContact CB-CD1 4.17Å; R143-L258 HydrophobicContact CG-CD1 3.77Å; L250-L258 HydrophobicContact CD1-CD1 4.44Å; L250-L258 HydrophobicContact CD1-CD2 3.57Å; L250-L258 HydrophobicContact CD1-CG 3.77Å; E255-L258 HydrophobicContact CG-CD1 3.81Å; E255-L258 VanDerWaalsContact O-CB 3.25Å; E255-L258 WeakPolarHBondContact O-CB 3.06Å; E255-L258 PolarHBondContact O-N 2.75Å; D256-L258 PolarHBondContact O-N 2.73Å
259	Q	91.7	Very high	90.9	Very high	68 Å²	68	55.2 Å²	55.2	32%	0.318	26%	0.259	S	S	.	.	S	Bend	trans	-77.5	128.6	169.7	-52.2	-65.5	-1.8	0	0	109.3	D256 E261 L263	D256-Q259 VanDerWaalsContact O-CB 3.28Å; D256-Q259 WeakPolarHBondContact O-CB 3.31Å; D256-Q259 VanDerWaalsContact O-CG 3.27Å; D256-Q259 WeakPolarHBondContact O-CG 3.32Å; D256-Q259 PolarHBondContact O-N 3.16Å; Q259-E261 PolarHBondContact O-N 2.8Å; Q259-L263 WeakPolarHBondContact O-CG 3.18Å; Q259-L263 PolarHBondContact O-N 2.8Å
260	P	89.7	Confident	90.5	Very high	13 Å²	13	51.3 Å²	51.3	8%	0.084	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-14.3	178.6	25.6	-26.2	0	0	0	112.8	K264 V280	P260-K264 WeakPolarHBondContact O-CD 3.49Å; P260-K264 WeakPolarHBondContact O-CE 3.43Å; P260-K264 WeakPolarHBondContact O-CG 3.26Å; P260-K264 PolarHBondContact O-N 3.01Å; P260-V280 HydrophobicContact CB-CG1 4.44Å
261	E	90.9	Very high	90	Very high	85 Å²	85	51.1 Å²	51.1	40%	0.397	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-60.8	174	-75.8	51.9	-113.1	0	0	110.6	Q259 L263 K264 E265	Q259-E261 PolarHBondContact O-N 2.8Å; E261-L263 PolarHBondContact O-N 2.75Å; E261-L263 VanDerWaalsContact O-N 3.16Å; E261-K264 WeakPolarHBondContact O-CA 3.06Å; E261-K264 VanDerWaalsContact O-CB 3.29Å; E261-K264 WeakPolarHBondContact O-CB 3.23Å; E261-K264 PolarHBondContact O-N 2.67Å; E261-K264 IonicContact OE1-NZ 3.95Å; E261-K264 PolarHBondContact OE1-NZ 3.45Å; E261-E265 VanDerWaalsContact C-OE2 3.25Å; E261-E265 PolarHBondContact O-N 3.26Å
262	T	92	Very high	89.6	Confident	37 Å²	37	52.1 Å²	52.1	23%	0.227	25%	0.247	C	C	.	.	H	α-helix	trans	-51.6	-41.3	174.4	-44.6	0	0	0	0	112.1	Y257 K264 E265 V266	Y257-T262 HydrophobicContact CD1-CG2 4.21Å; Y257-T262 HydrophobicContact CE1-CG2 4.41Å; T262-K264 VanDerWaalsContact C-N 3.28Å; T262-K264 PolarHBondContact O-N 3.19Å; T262-E265 VanDerWaalsContact CA-OE2 3.32Å; T262-E265 WeakPolarHBondContact CA-OE2 3Å; T262-E265 PolarHBondContact N-OE2 3.47Å; T262-E265 PolarHBondContact O-N 2.76Å; T262-V266 WeakPolarHBondContact O-CG2 3.41Å; T262-V266 PolarHBondContact O-N 2.69Å
263	L	92.4	Very high	89.5	Confident	1 Å²	1	45 Å²	45	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-65.3	-23.9	174.3	-72	176.3	0	0	0	114.4	L101 I136 A138 L145 Y257 Q259 E261 V267 V280	L101-L263 HydrophobicContact CD2-CD2 3.8Å; I136-L263 HydrophobicContact CG2-CD1 4.23Å; I136-L263 HydrophobicContact CG2-CD2 4.39Å; A138-L263 HydrophobicContact CB-CD1 3.97Å; L145-L263 HydrophobicContact CD1-CD1 3.81Å; L145-L263 HydrophobicContact CD1-CD2 4.2Å; L145-L263 HydrophobicContact CD2-CD2 4.01Å; Y257-L263 WeakPolarHBondContact O-CD1 3.07Å; Y257-L263 WeakPolarHBondContact O-CG 3.43Å; Q259-L263 WeakPolarHBondContact O-CG 3.18Å; Q259-L263 PolarHBondContact O-N 2.8Å; E261-L263 PolarHBondContact O-N 2.75Å; E261-L263 VanDerWaalsContact O-N 3.16Å; L263-V267 WeakPolarHBondContact O-CB 3.42Å; L263-V267 WeakPolarHBondContact O-CG2 2.98Å; L263-V280 HydrophobicContact CB-CG1 4.26Å
264	K	91.2	Very high	89.3	Confident	36 Å²	36	39 Å²	39	16%	0.157	19%	0.186	C	C	.	.	H	α-helix	trans	-79.8	-40	170	-64.8	150.9	-165.3	164.6	0	110.8	P260 E261 T262 V267 K268 V280 S282 V330	P260-K264 WeakPolarHBondContact O-CD 3.49Å; P260-K264 WeakPolarHBondContact O-CE 3.43Å; P260-K264 WeakPolarHBondContact O-CG 3.26Å; P260-K264 PolarHBondContact O-N 3.01Å; E261-K264 WeakPolarHBondContact O-CA 3.06Å; E261-K264 VanDerWaalsContact O-CB 3.29Å; E261-K264 WeakPolarHBondContact O-CB 3.23Å; E261-K264 PolarHBondContact O-N 2.67Å; E261-K264 IonicContact OE1-NZ 3.95Å; E261-K264 PolarHBondContact OE1-NZ 3.45Å; T262-K264 VanDerWaalsContact C-N 3.28Å; T262-K264 PolarHBondContact O-N 3.19Å; K264-V267 PolarHBondContact O-N 2.7Å; K264-K268 WeakPolarHBondContact O-CB 3.47Å; K264-K268 VanDerWaalsContact O-CG 3.25Å; K264-K268 WeakPolarHBondContact O-CG 3.28Å; K264-K268 PolarHBondContact O-N 3.01Å; K264-V280 HydrophobicContact CG-CG1 4.5Å; K264-S282 WeakPolarHBondContact CE-OG 3.24Å; K264-S282 PolarHBondContact NZ-OG 2.87Å; K264-V330 HydrophobicContact CG-CG2 4.08Å
265	E	90.3	Very high	88.9	Confident	97 Å²	97	43.1 Å²	43.1	45%	0.453	21%	0.207	S	C	.	.	H	α-helix	trans	-60.1	-55.3	176.9	-81.9	100.9	-125.7	0	0	111.7	E261 T262 V267 K268 K269	E261-E265 VanDerWaalsContact C-OE2 3.25Å; E261-E265 PolarHBondContact O-N 3.26Å; T262-E265 VanDerWaalsContact CA-OE2 3.32Å; T262-E265 WeakPolarHBondContact CA-OE2 3Å; T262-E265 PolarHBondContact N-OE2 3.47Å; T262-E265 PolarHBondContact O-N 2.76Å; E265-V267 VanDerWaalsContact C-N 3.26Å; E265-V267 PolarHBondContact O-N 2.77Å; E265-K268 WeakPolarHBondContact O-CA 3.4Å; E265-K268 WeakPolarHBondContact O-CB 3.42Å; E265-K268 PolarHBondContact O-N 2.65Å; E265-K269 PolarHBondContact O-N 2.71Å
266	V	91.6	Very high	88.9	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-58.5	-38.3	179.1	-178.8	0	0	0	0	111.7	E98 L101 Y257 T262 K269 Y270	E98-V266 HydrophobicContact CB-CG1 4.3Å; E98-V266 HydrophobicContact CB-CG2 4.47Å; E98-V266 HydrophobicContact CG-CG2 4.42Å; E98-V266 WeakPolarHBondContact OE1-CG2 3.32Å; L101-V266 HydrophobicContact CB-CG1 3.92Å; L101-V266 HydrophobicContact CD2-CB 4.04Å; L101-V266 HydrophobicContact CD2-CG1 3.8Å; L101-V266 HydrophobicContact CG-CG1 4.35Å; Y257-V266 HydrophobicContact CE1-CG2 4.35Å; T262-V266 WeakPolarHBondContact O-CG2 3.41Å; T262-V266 PolarHBondContact O-N 2.69Å; V266-K269 PolarHBondContact O-N 3.35Å; V266-Y270 HydrophobicContact CG1-CD2 3.82Å; V266-Y270 HydrophobicContact CG1-CE2 4.12Å; V266-Y270 WeakPolarHBondContact O-CD2 3.13Å; V266-Y270 PolarHBondContact O-N 2.84Å
267	V	91.3	Very high	88.9	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-71.6	-31.4	176.9	172.4	0	0	0	0	112.6	L101 I105 I136 L263 K264 E265 S271 Q272 I278 V330	L101-V267 HydrophobicContact CD2-CG2 3.86Å; L101-V267 HydrophobicContact CG-CG2 4.48Å; I105-V267 HydrophobicContact CD1-CG2 3.82Å; I136-V267 HydrophobicContact CD1-CG2 3.7Å; L263-V267 WeakPolarHBondContact O-CB 3.42Å; L263-V267 WeakPolarHBondContact O-CG2 2.98Å; K264-V267 PolarHBondContact O-N 2.7Å; E265-V267 VanDerWaalsContact C-N 3.26Å; E265-V267 PolarHBondContact O-N 2.77Å; V267-S271 CarbonylContact O-C 3.58Å; V267-S271 VanDerWaalsContact O-C 3.23Å; V267-S271 VanDerWaalsContact O-CA 3.32Å; V267-S271 WeakPolarHBondContact O-CA 3.12Å; V267-S271 WeakPolarHBondContact O-CB 3.44Å; V267-S271 PolarHBondContact O-N 2.68Å; V267-S271 VanDerWaalsContact O-N 3.12Å; V267-Q272 PolarHBondContact O-N 2.91Å; V267-I278 HydrophobicContact CG1-CB 4.41Å; V267-I278 HydrophobicContact CG1-CD1 4.2Å; V267-I278 HydrophobicContact CG1-CG2 3.86Å; V267-V330 HydrophobicContact CB-CG1 4.16Å; V267-V330 HydrophobicContact CG1-CB 3.84Å; V267-V330 HydrophobicContact CG1-CG1 3.73Å; V267-V330 HydrophobicContact CG1-CG2 4.45Å
268	K	88.3	Confident	89	Confident	113 Å²	113	34.8 Å²	34.8	49%	0.491	17%	0.169	S	C	.	.	H	α-helix	trans	-67.8	-51.5	169.8	-73.7	166.6	178.3	177.6	0	110.4	K264 E265 Q272 V330	K264-K268 WeakPolarHBondContact O-CB 3.47Å; K264-K268 VanDerWaalsContact O-CG 3.25Å; K264-K268 WeakPolarHBondContact O-CG 3.28Å; K264-K268 PolarHBondContact O-N 3.01Å; E265-K268 WeakPolarHBondContact O-CA 3.4Å; E265-K268 WeakPolarHBondContact O-CB 3.42Å; E265-K268 PolarHBondContact O-N 2.65Å; K268-Q272 VanDerWaalsContact O-CB 3.28Å; K268-Q272 WeakPolarHBondContact O-CB 3.45Å; K268-V330 HydrophobicContact CG-CG1 3.98Å
269	K	85.4	Confident	89.1	Confident	87 Å²	87	37.8 Å²	37.8	38%	0.378	18%	0.18	S	C	.	.	H	α-helix	trans	-54.6	-58.8	-177.7	-174.3	173.2	174.5	-174.3	0	111.5	E98 E265 V266 Y410	E98-K269 IonicContact OE2-NZ 3.13Å; E98-K269 PolarHBondContact OE2-NZ 2.84Å; E265-K269 PolarHBondContact O-N 2.71Å; V266-K269 PolarHBondContact O-N 3.35Å; K269-Y410 HydrophobicContact CG-CD1 4.41Å; K269-Y410 HydrophobicContact CG-CE1 4.27Å; K269-Y410 WeakPolarHBondContact O-CB 3.3Å
270	Y	86.2	Confident	89.2	Confident	6 Å²	6	34.6 Å²	34.6	2%	0.024	17%	0.166	C	C	.	.	H	α-helix	trans	-96.9	-17.8	-171.5	-59.1	-78.3	0	0	0	116	E98 R102 V266 Y410	E98-Y270 HydrophobicContact CB-CE2 3.92Å; E98-Y270 WeakPolarHBondContact OE2-CE2 3.45Å; E98-Y270 PolarHBondContact OE2-OH 3.22Å; E98-Y270 VanDerWaalsContact OE2-OH 3.08Å; R102-Y270 HydrophobicContact CB-CD1 4.37Å; R102-Y270 HydrophobicContact CB-CG 4.01Å; R102-Y270 HydrophobicContact CG-CD1 4.3Å; R102-Y270 HydrophobicContact CG-CG 4.25Å; V266-Y270 HydrophobicContact CG1-CD2 3.82Å; V266-Y270 HydrophobicContact CG1-CE2 4.12Å; V266-Y270 WeakPolarHBondContact O-CD2 3.13Å; V266-Y270 PolarHBondContact O-N 2.84Å; Y270-Y410 AromaticContact CD1-CD1 3.68Å; Y270-Y410 HydrophobicContact CD1-CD1 3.68Å; Y270-Y410 HydrophobicContact CD1-CE1 4.26Å; Y270-Y410 AromaticContact CE1-CD1 3.96Å; Y270-Y410 HydrophobicContact CE1-CD1 3.96Å; Y270-Y410 HydrophobicContact CE1-CE1 4.06Å
271	S	84.2	Confident	89.3	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.014	17%	0.174	C	C	.	.	H	α-helix	trans	-134.6	11	-161.9	-70.8	0	0	0	0	115.7	V267 F273 I274	V267-S271 CarbonylContact O-C 3.58Å; V267-S271 VanDerWaalsContact O-C 3.23Å; V267-S271 VanDerWaalsContact O-CA 3.32Å; V267-S271 WeakPolarHBondContact O-CA 3.12Å; V267-S271 WeakPolarHBondContact O-CB 3.44Å; V267-S271 PolarHBondContact O-N 2.68Å; V267-S271 VanDerWaalsContact O-N 3.12Å; S271-F273 PolarHBondContact O-N 2.75Å; S271-F273 VanDerWaalsContact O-N 3.15Å; S271-I274 PolarHBondContact O-N 3.46Å; S271-I274 WeakPolarHBondContact OG-CD1 3.23Å
272	Q	83.7	Confident	89.2	Confident	36 Å²	36	33.5 Å²	33.5	17%	0.168	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.5	-178	-176.7	-179.6	43.5	0	0	114.4	V267 K268 N331 N333	V267-Q272 PolarHBondContact O-N 2.91Å; K268-Q272 VanDerWaalsContact O-CB 3.28Å; K268-Q272 WeakPolarHBondContact O-CB 3.45Å; Q272-N331 WeakPolarHBondContact O-CB 3.48Å; Q272-N333 HydrophobicContact CG-CB 4.27Å; Q272-N333 PolarHBondContact NE2-ND2 2.92Å; Q272-N333 VanDerWaalsContact NE2-ND2 3.13Å
273	F	84.9	Confident	88.9	Confident	2 Å²	2	34 Å²	34	1%	0.009	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	7.1	-172.4	-61.7	-73.8	0	0	0	115.2	S271 N275 N333 P335 W337 L352 Y405 R408 I429	S271-F273 PolarHBondContact O-N 2.75Å; S271-F273 VanDerWaalsContact O-N 3.15Å; F273-N275 PolarHBondContact O-N 3.21Å; F273-N333 HydrophobicContact CE1-CB 3.99Å; F273-P335 HydrophobicContact CB-CB 4.35Å; F273-P335 HydrophobicContact CD1-CB 4.33Å; F273-W337 HydrophobicContact CB-CH2 4.13Å; F273-W337 HydrophobicContact CB-CZ2 4.27Å; F273-W337 AromaticContact CD1-CH2 3.36Å; F273-W337 HydrophobicContact CD1-CH2 3.36Å; F273-W337 HydrophobicContact CD1-CZ2 4.23Å; F273-W337 AromaticContact CD1-CZ3 3.89Å; F273-W337 HydrophobicContact CD1-CZ3 3.89Å; F273-W337 AromaticContact CD2-CH2 3.68Å; F273-W337 HydrophobicContact CD2-CH2 3.68Å; F273-W337 HydrophobicContact CD2-CZ2 4.42Å; F273-W337 AromaticContact CE1-CH2 3.53Å; F273-W337 HydrophobicContact CE1-CH2 3.53Å; F273-W337 AromaticContact CE1-CZ3 3.66Å; F273-W337 HydrophobicContact CE1-CZ3 3.66Å; F273-W337 AromaticContact CE2-CH2 3.84Å; F273-W337 HydrophobicContact CE2-CH2 3.84Å; F273-W337 HydrophobicContact CE2-CZ3 4.46Å; F273-W337 AromaticContact CG-CH2 3.42Å; F273-W337 HydrophobicContact CG-CH2 3.42Å; F273-W337 VanDerWaalsContact CG-CH2 3.42Å; F273-W337 HydrophobicContact CG-CZ2 4.04Å; F273-W337 HydrophobicContact CG-CZ3 4.37Å; F273-W337 AromaticContact CZ-CH2 3.77Å; F273-W337 HydrophobicContact CZ-CH2 3.77Å; F273-W337 AromaticContact CZ-CZ3 3.97Å; F273-W337 HydrophobicContact CZ-CZ3 3.97Å; F273-L352 HydrophobicContact CE1-CD1 3.84Å; F273-L352 HydrophobicContact CZ-CD1 3.91Å; F273-Y405 HydrophobicContact CD2-CD1 4.48Å; F273-Y405 AromaticContact CD2-CE1 3.62Å; F273-Y405 HydrophobicContact CD2-CE1 3.62Å; F273-Y405 AromaticContact CD2-CZ 3.8Å; F273-Y405 HydrophobicContact CE2-CE1 4.16Å; F273-Y405 AromaticContact CE2-CZ 3.85Å; F273-Y405 WeakPolarHBondContact CE2-OH 3.27Å; F273-R408 HydrophobicContact CB-CB 4.29Å; F273-I429 HydrophobicContact CE2-CD1 4.34Å; F273-I429 HydrophobicContact CZ-CD1 4.09Å
274	I	84.8	Confident	88.3	Confident	9 Å²	9	42.2 Å²	42.2	5%	0.046	19%	0.193	C	C	.	.			trans	-63.9	133.5	172.6	-67.7	179.9	0	0	0	109.8	I105 S271 F276 I278 N331	I105-I274 HydrophobicContact CG2-CD1 3.55Å; S271-I274 PolarHBondContact O-N 3.46Å; S271-I274 WeakPolarHBondContact OG-CD1 3.23Å; I274-F276 VanDerWaalsContact C-N 3.3Å; I274-F276 PolarHBondContact O-N 2.9Å; I274-I278 HydrophobicContact CB-CD1 4.27Å; I274-N331 PolarHBondContact O-ND2 3.28Å
275	N	83.1	Confident	87.8	Confident	91 Å²	91	44.4 Å²	44.4	49%	0.487	21%	0.209	S	C	.	.	S	Bend	trans	-67.9	-23.9	-167	-168.4	27.2	0	0	0	114.2	F273	F273-N275 PolarHBondContact O-N 3.21Å
276	F	88.6	Confident	87	Confident	11 Å²	11	43.1 Å²	43.1	5%	0.048	20%	0.203	C	C	.	.	S	Bend	trans	-93	141	179.7	-62.8	-74.6	0	0	0	111.7	L112 D113 M132 I274 I278 N331	L112-F276 HydrophobicContact CB-CD1 4.03Å; L112-F276 HydrophobicContact CB-CD2 3.69Å; L112-F276 HydrophobicContact CB-CE1 3.83Å; L112-F276 HydrophobicContact CB-CE2 3.47Å; L112-F276 VanDerWaalsContact CB-CE2 3.47Å; L112-F276 HydrophobicContact CB-CG 3.96Å; L112-F276 HydrophobicContact CB-CZ 3.54Å; L112-F276 HydrophobicContact CD1-CB 3.83Å; L112-F276 HydrophobicContact CD1-CD1 4.17Å; L112-F276 HydrophobicContact CD1-CD2 3.97Å; L112-F276 HydrophobicContact CD1-CG 3.72Å; L112-F276 HydrophobicContact CG-CD2 4.47Å; L112-F276 HydrophobicContact CG-CG 4.39Å; D113-F276 WeakPolarHBondContact OD1-CE2 3.04Å; D113-F276 WeakPolarHBondContact OD1-CZ 3.23Å; M132-F276 HydrophobicContact CB-CD1 3.95Å; M132-F276 HydrophobicContact CB-CE1 4.03Å; M132-F276 HydrophobicContact SD-CE1 4.07Å; I274-F276 VanDerWaalsContact C-N 3.3Å; I274-F276 PolarHBondContact O-N 2.9Å; F276-I278 PolarHBondContact O-N 2.57Å; F276-N331 PolarHBondContact O-ND2 3.33Å
277	P	92	Very high	85.9	Confident	33 Å²	33	46.9 Å²	46.9	21%	0.214	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-66.8	123.3	-177.9	28.4	-35.4	0	0	0	111.7	M132 I134 Y279 N331	M132-P277 WeakPolarHBondContact O-CD 3.43Å; I134-P277 PolarHBondContact N-O 2.81Å; P277-Y279 HydrophobicContact CB-CD2 4.45Å; P277-Y279 HydrophobicContact CB-CE2 3.67Å; P277-Y279 HydrophobicContact CG-CE2 3.98Å; P277-N331 WeakPolarHBondContact CA-OD1 3.34Å
278	I	94	Very high	84.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.3	176.7	-55.4	166.2	0	0	0	108.4	I105 I134 I136 V267 I274 F276 R329 V330 N331	I105-I278 HydrophobicContact CG2-CD1 3.73Å; I105-I278 HydrophobicContact CG2-CG1 4.37Å; I134-I278 HydrophobicContact CB-CG1 4.21Å; I134-I278 HydrophobicContact CD1-CG1 4.3Å; I134-I278 WeakPolarHBondContact O-CA 3.22Å; I136-I278 HydrophobicContact CD1-CG2 3.73Å; I136-I278 HydrophobicContact CG1-CG2 4.44Å; V267-I278 HydrophobicContact CG1-CB 4.41Å; V267-I278 HydrophobicContact CG1-CD1 4.2Å; V267-I278 HydrophobicContact CG1-CG2 3.86Å; I274-I278 HydrophobicContact CB-CD1 4.27Å; F276-I278 PolarHBondContact O-N 2.57Å; I278-R329 WeakPolarHBondContact O-CA 3.29Å; I278-V330 PolarHBondContact O-N 2.75Å; I278-N331 HydrophobicContact CD1-CB 4.45Å; I278-N331 PolarHBondContact N-OD1 3.26Å
279	Y	94.3	Very high	83	Confident	65 Å²	65	51 Å²	51	26%	0.255	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.8	178.9	-59.8	-93.5	0	0	0	111.3	I134 R135 I136 P277 W327 V328 R329	I134-Y279 PolarHBondContact O-N 2.82Å; R135-Y279 WeakPolarHBondContact CA-O 3.08Å; R135-Y279 HydrophobicContact CG-CD2 4.37Å; I136-Y279 PolarHBondContact N-O 2.78Å; P277-Y279 HydrophobicContact CB-CD2 4.45Å; P277-Y279 HydrophobicContact CB-CE2 3.67Å; P277-Y279 HydrophobicContact CG-CE2 3.98Å; Y279-W327 HydrophobicContact CD1-CB 3.95Å; Y279-W327 WeakPolarHBondContact CD1-O 3.3Å; Y279-W327 HydrophobicContact CG-CB 4.25Å; Y279-V328 CarbonylContact C-O 3.57Å; Y279-V328 WeakPolarHBondContact CA-O 3.36Å; Y279-R329 HydrophobicContact CD1-CB 3.87Å; Y279-R329 HydrophobicContact CE1-CB 3.8Å
280	V	94.1	Very high	81.6	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.8	170.1	175.8	0	0	0	0	109	I136 P260 L263 K264 S282 V328 V330	I136-V280 HydrophobicContact CB-CG2 4.31Å; I136-V280 HydrophobicContact CD1-CG2 4.37Å; I136-V280 WeakPolarHBondContact O-CA 3.44Å; P260-V280 HydrophobicContact CB-CG1 4.44Å; L263-V280 HydrophobicContact CB-CG1 4.26Å; K264-V280 HydrophobicContact CG-CG1 4.5Å; V280-S282 PolarHBondContact O-N 3.19Å; V280-V328 PolarHBondContact N-O 3.22Å; V280-V328 PolarHBondContact O-N 2.89Å; V280-V330 HydrophobicContact CB-CG2 4.02Å; V280-V330 HydrophobicContact CG2-CG2 3.6Å
281	W	92.8	Very high	79.8	Confident	70 Å²	70	56.9 Å²	56.9	27%	0.265	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	107.6	175.3	-174.5	-104.2	0	0	0	110.5	I136 K137 W325 W327	I136-W281 PolarHBondContact O-N 2.87Å; K137-W281 HydrophobicContact CB-CB 3.97Å; K137-W281 HydrophobicContact CD-CG 4.31Å; K137-W281 HydrophobicContact CG-CB 3.9Å; K137-W281 HydrophobicContact CG-CG 4.03Å; W281-W325 AromaticContact CD1-CE3 3.59Å; W281-W325 HydrophobicContact CG-CE3 4.44Å; W281-W325 HydrophobicContact CH2-CB 4.11Å; W281-W325 WeakPolarHBondContact CH2-O 3.43Å; W281-W325 HydrophobicContact CZ2-CB 3.44Å; W281-W325 VanDerWaalsContact CZ2-CB 3.44Å; W281-W325 HydrophobicContact CZ2-CG 4.48Å; W281-W325 AromaticContact NE1-CD2 3.99Å; W281-W325 AromaticContact NE1-CE3 3.44Å; W281-W327 HydrophobicContact CB-CE3 4.17Å; W281-W327 HydrophobicContact CB-CH2 4.24Å; W281-W327 HydrophobicContact CB-CZ3 3.91Å; W281-W327 AromaticContact CE3-CD1 3.82Å; W281-W327 AromaticContact CE3-CD2 3.66Å; W281-W327 HydrophobicContact CE3-CD2 3.66Å; W281-W327 AromaticContact CE3-CE2 3.54Å; W281-W327 HydrophobicContact CE3-CE3 4.22Å; W281-W327 AromaticContact CE3-CG 3.87Å; W281-W327 HydrophobicContact CE3-CG 3.87Å; W281-W327 HydrophobicContact CE3-CZ2 4.04Å; W281-W327 AromaticContact CE3-NE1 3.63Å; W281-W327 AromaticContact CZ3-CD1 3.63Å; W281-W327 HydrophobicContact CZ3-CD2 4.26Å; W281-W327 AromaticContact CZ3-CE2 3.97Å; W281-W327 HydrophobicContact CZ3-CG 4.09Å; W281-W327 AromaticContact CZ3-NE1 3.54Å
282	S	87.9	Confident	77.6	Confident	5 Å²	5	63.2 Å²	63.2	4%	0.035	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	149	-172.1	-176.4	0	0	0	0	111.7	K264 V280 W325 D326	K264-S282 WeakPolarHBondContact CE-OG 3.24Å; K264-S282 PolarHBondContact NZ-OG 2.87Å; V280-S282 PolarHBondContact O-N 3.19Å; S282-W325 VanDerWaalsContact C-CE3 3.43Å; S282-W325 WeakPolarHBondContact O-CA 3.37Å; S282-D326 PolarHBondContact N-O 2.67Å; S282-D326 PolarHBondContact O-N 3.38Å
283	S	85.9	Confident	75.5	Confident	47 Å²	47	70.3 Å²	70.3	33%	0.329	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	149.4	163.7	39	0	0	0	0	111.7	V324 W325	S283-V324 CarbonylContact C-O 3.49Å; S283-V324 WeakPolarHBondContact CA-O 3.09Å; S283-W325 VanDerWaalsContact N-CE3 3.31Å
284	R	78.8	Confident	73.3	Confident	173 Å²	173	77.9 Å²	77.9	65%	0.653	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.3	137.2	163.5	-176.9	-177.3	-175.9	-175.5	5.4	108.9	V324	R284-V324 PolarHBondContact N-O 3.2Å; R284-V324 PolarHBondContact O-N 3.38Å
285	V	81	Confident	70.8	Confident	83 Å²	83	87.6 Å²	87.6	50%	0.503	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	120.7	170.6	-175	0	0	0	0	109.2	E321	V285-E321 HydrophobicContact CG1-CB 3.8Å; V285-E321 HydrophobicContact CG1-CG 3.72Å
286	E	73.5	Confident	68.4	Low	70 Å²	70	91.5 Å²	91.5	33%	0.327	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	111.2	168.6	-71.4	-163	151.8	0	0	110.8	K288 N322 V324	E286-K288 PolarHBondContact O-N 2.81Å; E286-K288 IonicContact OE2-NZ 3.63Å; E286-K288 PolarHBondContact OE2-NZ 3.05Å; E286-N322 PolarHBondContact N-O 2.77Å; E286-N322 PolarHBondContact O-N 3.4Å; E286-V324 HydrophobicContact CB-CG2 4.34Å; E286-V324 HydrophobicContact CG-CG2 4.19Å
287	S	69.1	Low	65.9	Low	81 Å²	81	97.7 Å²	97.7	57%	0.566	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	86.7	170.9	59.6	0	0	0	0	110.6	V289	S287-V289 PolarHBondContact O-N 2.86Å
288	K	60	Low	63.1	Low	101 Å²	101	101.2 Å²	101.2	44%	0.439	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	119.9	174	-73.6	-169.2	175.4	71.1	0	109.9	E286 V290 V320	E286-K288 PolarHBondContact O-N 2.81Å; E286-K288 IonicContact OE2-NZ 3.63Å; E286-K288 PolarHBondContact OE2-NZ 3.05Å; K288-V290 PolarHBondContact O-N 2.71Å; K288-V320 PolarHBondContact N-O 3.34Å; K288-V320 VanDerWaalsContact N-O 3.11Å; K288-V320 PolarHBondContact O-N 3.31Å
289	V	58.6	Low	60.1	Low	97 Å²	97	109.8 Å²	109.8	59%	0.588	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-66.9	117.2	163.8	179.2	0	0	0	0	107.2	S287 D291 T319	S287-V289 PolarHBondContact O-N 2.86Å; V289-D291 PolarHBondContact O-N 2.88Å; V289-D291 VanDerWaalsContact O-N 3.07Å; V289-T319 HydrophobicContact CG2-CG2 4.14Å
290	V	56.3	Low	57.2	Low	83 Å²	83	113 Å²	113	50%	0.503	58%	0.581	S	S	.	*			trans	-83.8	86.1	179.4	-175.7	0	0	0	0	109.1	K288 T292 V320	K288-V290 PolarHBondContact O-N 2.71Å; V290-T292 PolarHBondContact O-N 2.85Å; V290-T292 VanDerWaalsContact O-N 3.12Å; V290-T292 PolarHBondContact O-OG1 2.65Å; V290-V320 HydrophobicContact CG2-CB 4.11Å; V290-V320 HydrophobicContact CG2-CG2 3.74Å
291	D	47.4	Very low	54.3	Low	134 Å²	134	117.3 Å²	117.3	72%	0.717	62%	0.617	S	S	*	*			trans	-51.1	120	162.6	-85.6	-38.1	0	0	0	108.4	V289 E293	V289-D291 PolarHBondContact O-N 2.88Å; V289-D291 VanDerWaalsContact O-N 3.07Å; D291-E293 PolarHBondContact O-N 2.95Å
292	T	38	Very low	51.7	Low	135 Å²	135	121 Å²	121	83%	0.828	64%	0.642	S	S	*	*			trans	-82.2	72.5	-171.9	-56.4	0	0	0	0	109.6	V290 E294	V290-T292 PolarHBondContact O-N 2.85Å; V290-T292 VanDerWaalsContact O-N 3.12Å; V290-T292 PolarHBondContact O-OG1 2.65Å; T292-E294 VanDerWaalsContact C-N 3.34Å; T292-E294 PolarHBondContact O-N 3.21Å
293	E	41.1	Very low	49.2	Very low	186 Å²	186	125.6 Å²	125.6	87%	0.869	67%	0.674	S	S	*	*			trans	-64.1	92.5	176.9	-72.1	-157.3	149.6	0	0	111.4	D291	D291-E293 PolarHBondContact O-N 2.95Å
294	E	38.3	Very low	46.9	Very low	160 Å²	160	132.3 Å²	132.3	75%	0.748	70%	0.7	S	S	*	*			trans	20.6	104.5	148.3	-58.6	-170.5	149	0	0	117	T292 E296	T292-E294 VanDerWaalsContact C-N 3.34Å; T292-E294 PolarHBondContact O-N 3.21Å; E294-E296 HydrophobicContact CB-CG 4.36Å; E294-E296 PolarHBondContact O-N 3.3Å
295	K	31.9	Very low	44.9	Very low	213 Å²	213	128.5 Å²	128.5	93%	0.926	71%	0.706	S	S	*	*			trans	-68.5	70.4	152.7	-72.7	177.6	178.9	167	0	110
296	E	33.5	Very low	42.7	Very low	174 Å²	174	129.1 Å²	129.1	81%	0.813	71%	0.714	S	S	*	*			trans	-68.2	130.6	172	-102	-97.8	111.2	0	0	110.4	E294	E294-E296 HydrophobicContact CB-CG 4.36Å; E294-E296 PolarHBondContact O-N 3.3Å
297	D	34.5	Very low	40.9	Very low	140 Å²	140	130.7 Å²	130.7	75%	0.749	73%	0.728	S	S	*	*			trans	-98.6	165.9	-149.3	-135.2	-33.3	0	0	0	114.3	K299	D297-K299 PolarHBondContact O-N 2.62Å
298	S	34.4	Very low	39.3	Very low	107 Å²	107	134.1 Å²	134.1	75%	0.748	74%	0.735	S	S	*	*	S	Bend	trans	-77.3	57.1	171.9	64	0	0	0	0	113.9
299	K	31	Very low	38.1	Very low	180 Å²	180	137.6 Å²	137.6	78%	0.783	75%	0.753	S	S	*	*	S	Bend	trans	89.4	123.7	163.5	-52	153.2	-175.8	160.5	0	118.6	D297	D297-K299 PolarHBondContact O-N 2.62Å
300	T	32.6	Very low	36.9	Very low	133 Å²	133	141.4 Å²	141.4	82%	0.816	76%	0.764	S	S	*	*			trans	73.7	103.2	137.9	52.6	0	0	0	0	121.7
301	A	34.3	Very low	35.8	Very low	91 Å²	91	142.4 Å²	142.4	75%	0.752	78%	0.775	S	S	*	*				94.9	142.8	119.6	0	0	0	0	0	122.7
302	D	37.4	Very low	35.1	Very low	148 Å²	148	139.4 Å²	139.4	79%	0.791	78%	0.775	S	S	*	*			trans	80.8	98.6	153	-63.3	-9.5	0	0	0	122.9
303	S	36.1	Very low	35	Very low	101 Å²	101	143.1 Å²	143.1	71%	0.706	78%	0.78	S	S	*	*				98.5	109.5	116.1	67.9	0	0	0	0	123.7
304	E	36.7	Very low	34.6	Very low	188 Å²	188	144.3 Å²	144.3	88%	0.879	78%	0.782	S	S	*	*				77.2	125.4	121.8	-66.2	-176.6	-176.5	0	0	124.7
305	A	37	Very low	34.4	Very low	93 Å²	93	142.3 Å²	142.3	77%	0.769	79%	0.786	S	S	*	*			trans	80.5	140.2	135.9	0	0	0	0	0	121
306	S	35.6	Very low	34.7	Very low	97 Å²	97	141.4 Å²	141.4	68%	0.678	79%	0.785	S	S	*	*			cis	-176.3	152.6	-8.1	51.1	0	0	0	0	113.1
307	V	35	Very low	35.3	Very low	102 Å²	102	135.9 Å²	135.9	62%	0.618	78%	0.775	S	S	*	*			trans	74.9	106.8	145.3	170.8	0	0	0	0	116.8
308	E	34.9	Very low	35.4	Very low	154 Å²	154	138.1 Å²	138.1	72%	0.72	78%	0.778	S	S	*	*				71.4	154	54.1	-50.4	133.1	-118.9	0	0	110
309	E	35.5	Very low	36.3	Very low	174 Å²	174	136.9 Å²	136.9	81%	0.813	77%	0.766	S	S	*	*			cis	-84.3	-109.2	18.3	-56.1	94.1	161.6	0	0	117.9
310	E	33.8	Very low	37.5	Very low	177 Å²	177	131.5 Å²	131.5	83%	0.827	75%	0.748	S	S	*	*			trans	-153	169.8	-139.1	-85.7	-155.4	-109.7	0	0	114.6
311	S	33.6	Very low	39.4	Very low	104 Å²	104	132 Å²	132	73%	0.727	74%	0.741	S	S	*	*			cis	-173.7	172.6	-25.1	61.7	0	0	0	0	110.4
312	G	32.8	Very low	41.3	Very low	70 Å²	70	131 Å²	131	72%	0.722	72%	0.723	S	S	*	*			trans	153.4	155.1	174.9	0	0	0	0	0	115.2
313	K	35.6	Very low	43.5	Very low	213 Å²	213	128.4 Å²	128.4	93%	0.926	71%	0.712	S	S	*	*			trans	57.3	136.2	-172.2	-73.6	-164.3	174.3	-166.6	0	116.4
314	K	31.7	Very low	45.8	Very low	212 Å²	212	126 Å²	126	92%	0.922	69%	0.693	S	S	*	*			trans	-71.5	152.5	159.2	-71.3	178.7	-179.6	173.5	0	108.5
315	S	34.9	Very low	48.1	Very low	118 Å²	118	123 Å²	123	83%	0.825	67%	0.674	S	S	*	*			trans	-115	136.9	169.8	35.9	0	0	0	0	109.6
316	E	38.3	Very low	50.6	Low	194 Å²	194	123.3 Å²	123.3	91%	0.907	66%	0.663	S	S	*	*			trans	-82.7	148.8	177.1	-72.1	147	153.2	0	0	111
317	G	44.7	Very low	53.3	Low	57 Å²	57	122.5 Å²	122.5	59%	0.588	65%	0.645	S	S	*	*			trans	-78.6	143.8	173.2	0	0	0	0	0	110.3	T319	G317-T319 PolarHBondContact O-N 2.98Å
318	K	38.2	Very low	55.9	Low	187 Å²	187	120.6 Å²	120.6	81%	0.813	63%	0.633	S	S	*	*			trans	-65.1	108.7	173.8	-74.9	-164.3	169.6	-154.8	0	110.5
319	T	52.6	Low	58.5	Low	81 Å²	81	118.6 Å²	118.6	50%	0.497	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-60.4	144.7	153.9	37.7	0	0	0	0	109.4	V289 G317	V289-T319 HydrophobicContact CG2-CG2 4.14Å; G317-T319 PolarHBondContact O-N 2.98Å
320	V	56.9	Low	61	Low	68 Å²	68	111.6 Å²	111.6	41%	0.412	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.6	115.9	165	-179.5	0	0	0	0	107.1	K288 V290 N322	K288-V320 PolarHBondContact N-O 3.34Å; K288-V320 VanDerWaalsContact N-O 3.11Å; K288-V320 PolarHBondContact O-N 3.31Å; V290-V320 HydrophobicContact CG2-CB 4.11Å; V290-V320 HydrophobicContact CG2-CG2 3.74Å; V320-N322 PolarHBondContact O-ND2 3.2Å
321	E	72.3	Confident	63.6	Low	142 Å²	142	103.3 Å²	103.3	66%	0.664	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.7	171.9	-74.2	167.7	-148.7	0	0	109.6	V285	V285-E321 HydrophobicContact CG1-CB 3.8Å; V285-E321 HydrophobicContact CG1-CG 3.72Å
322	N	74.5	Confident	65.7	Low	72 Å²	72	101.2 Å²	101.2	39%	0.385	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.2	175.1	-69.5	-103.2	0	0	0	107.5	E286 V320 V324	E286-N322 PolarHBondContact N-O 2.77Å; E286-N322 PolarHBondContact O-N 3.4Å; V320-N322 PolarHBondContact O-ND2 3.2Å; N322-V324 PolarHBondContact O-N 3.24Å; N322-V324 VanDerWaalsContact O-N 3.16Å
323	V	82.3	Confident	68	Low	93 Å²	93	99.9 Å²	99.9	56%	0.564	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	105	171.6	-176.2	0	0	0	0	108.1
324	V	84.3	Confident	70.2	Confident	50 Å²	50	95.8 Å²	95.8	30%	0.303	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.5	175.6	-177.9	0	0	0	0	107.9	S283 R284 E286 N322	S283-V324 CarbonylContact C-O 3.49Å; S283-V324 WeakPolarHBondContact CA-O 3.09Å; R284-V324 PolarHBondContact N-O 3.2Å; R284-V324 PolarHBondContact O-N 3.38Å; E286-V324 HydrophobicContact CB-CG2 4.34Å; E286-V324 HydrophobicContact CG-CG2 4.19Å; N322-V324 PolarHBondContact O-N 3.24Å; N322-V324 VanDerWaalsContact O-N 3.16Å
325	W	86.2	Confident	72.8	Confident	125 Å²	125	86.5 Å²	86.5	47%	0.473	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127.1	170	-71.6	82.9	0	0	0	109.5	W281 S282 S283	W281-W325 AromaticContact CD1-CE3 3.59Å; W281-W325 HydrophobicContact CG-CE3 4.44Å; W281-W325 HydrophobicContact CH2-CB 4.11Å; W281-W325 WeakPolarHBondContact CH2-O 3.43Å; W281-W325 HydrophobicContact CZ2-CB 3.44Å; W281-W325 VanDerWaalsContact CZ2-CB 3.44Å; W281-W325 HydrophobicContact CZ2-CG 4.48Å; W281-W325 AromaticContact NE1-CD2 3.99Å; W281-W325 AromaticContact NE1-CE3 3.44Å; S282-W325 VanDerWaalsContact C-CE3 3.43Å; S282-W325 WeakPolarHBondContact O-CA 3.37Å; S283-W325 VanDerWaalsContact N-CE3 3.31Å
326	D	89.3	Confident	75.5	Confident	99 Å²	99	81.2 Å²	81.2	53%	0.529	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	169.4	-178.7	-156.6	1.6	0	0	0	111.8	S282 V328	S282-D326 PolarHBondContact N-O 2.67Å; S282-D326 PolarHBondContact O-N 3.38Å; D326-V328 PolarHBondContact O-N 3.38Å
327	W	91.2	Very high	77.9	Confident	80 Å²	80	72.1 Å²	72.1	30%	0.303	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	96.2	175.9	-71	106.4	0	0	0	110.6	R135 I136 K137 Y279 W281	R135-W327 HydrophobicContact CB-CE3 4.2Å; R135-W327 HydrophobicContact CB-CH2 3.71Å; R135-W327 HydrophobicContact CB-CZ2 4.39Å; R135-W327 HydrophobicContact CB-CZ3 3.6Å; R135-W327 HydrophobicContact CG-CD2 4.21Å; R135-W327 HydrophobicContact CG-CE3 3.9Å; R135-W327 HydrophobicContact CG-CH2 4.08Å; R135-W327 HydrophobicContact CG-CZ2 4.39Å; R135-W327 HydrophobicContact CG-CZ3 3.83Å; I136-W327 WeakPolarHBondContact O-CZ3 3.42Å; K137-W327 HydrophobicContact CB-CH2 3.97Å; K137-W327 HydrophobicContact CB-CZ3 4.43Å; Y279-W327 HydrophobicContact CD1-CB 3.95Å; Y279-W327 WeakPolarHBondContact CD1-O 3.3Å; Y279-W327 HydrophobicContact CG-CB 4.25Å; W281-W327 HydrophobicContact CB-CE3 4.17Å; W281-W327 HydrophobicContact CB-CH2 4.24Å; W281-W327 HydrophobicContact CB-CZ3 3.91Å; W281-W327 AromaticContact CE3-CD1 3.82Å; W281-W327 AromaticContact CE3-CD2 3.66Å; W281-W327 HydrophobicContact CE3-CD2 3.66Å; W281-W327 AromaticContact CE3-CE2 3.54Å; W281-W327 HydrophobicContact CE3-CE3 4.22Å; W281-W327 AromaticContact CE3-CG 3.87Å; W281-W327 HydrophobicContact CE3-CG 3.87Å; W281-W327 HydrophobicContact CE3-CZ2 4.04Å; W281-W327 AromaticContact CE3-NE1 3.63Å; W281-W327 AromaticContact CZ3-CD1 3.63Å; W281-W327 HydrophobicContact CZ3-CD2 4.26Å; W281-W327 AromaticContact CZ3-CE2 3.97Å; W281-W327 HydrophobicContact CZ3-CG 4.09Å; W281-W327 AromaticContact CZ3-NE1 3.54Å
328	V	90.4	Very high	80	Confident	62 Å²	62	72.1 Å²	72.1	38%	0.376	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	119.4	177.2	179.6	0	0	0	0	109.3	Y279 V280 D326 V330	Y279-V328 CarbonylContact C-O 3.57Å; Y279-V328 WeakPolarHBondContact CA-O 3.36Å; V280-V328 PolarHBondContact N-O 3.22Å; V280-V328 PolarHBondContact O-N 2.89Å; D326-V328 PolarHBondContact O-N 3.38Å; V328-V330 PolarHBondContact O-N 2.58Å
329	R	89.8	Confident	82.4	Confident	112 Å²	112	67 Å²	67	42%	0.423	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	124.6	172.9	-179.8	176.9	167.7	-147.5	-7.9	109.5	I278 Y279 N331 A332	I278-R329 WeakPolarHBondContact O-CA 3.29Å; Y279-R329 HydrophobicContact CD1-CB 3.87Å; Y279-R329 HydrophobicContact CE1-CB 3.8Å; R329-N331 PolarHBondContact NE-O 2.87Å; R329-N331 PolarHBondContact NE-OD1 3.08Å; R329-N331 PolarHBondContact NH2-O 2.94Å; R329-A332 PolarHBondContact NH2-O 2.84Å; R329-A332 VanDerWaalsContact NH2-O 3.14Å
330	V	88.3	Confident	84.2	Confident	27 Å²	27	70.2 Å²	70.2	16%	0.164	35%	0.345	C	S	.	.			trans	-92	-46.2	-179.1	-176.4	0	0	0	0	111.4	K264 V267 K268 I278 V280 V328 A332	K264-V330 HydrophobicContact CG-CG2 4.08Å; V267-V330 HydrophobicContact CB-CG1 4.16Å; V267-V330 HydrophobicContact CG1-CB 3.84Å; V267-V330 HydrophobicContact CG1-CG1 3.73Å; V267-V330 HydrophobicContact CG1-CG2 4.45Å; K268-V330 HydrophobicContact CG-CG1 3.98Å; I278-V330 PolarHBondContact O-N 2.75Å; V280-V330 HydrophobicContact CB-CG2 4.02Å; V280-V330 HydrophobicContact CG2-CG2 3.6Å; V328-V330 PolarHBondContact O-N 2.58Å; V330-A332 VanDerWaalsContact C-N 3.28Å; V330-A332 PolarHBondContact O-N 2.73Å
331	N	86.9	Confident	85.8	Confident	3 Å²	3	70.1 Å²	70.1	2%	0.016	35%	0.346	C	S	.	.			trans	-78.5	68.5	-179.2	69.2	-22.3	0	0	0	112.4	Q272 I274 F276 P277 I278 R329	Q272-N331 WeakPolarHBondContact O-CB 3.48Å; I274-N331 PolarHBondContact O-ND2 3.28Å; F276-N331 PolarHBondContact O-ND2 3.33Å; P277-N331 WeakPolarHBondContact CA-OD1 3.34Å; I278-N331 HydrophobicContact CD1-CB 4.45Å; I278-N331 PolarHBondContact N-OD1 3.26Å; R329-N331 PolarHBondContact NE-O 2.87Å; R329-N331 PolarHBondContact NE-OD1 3.08Å; R329-N331 PolarHBondContact NH2-O 2.94Å
332	A	77.9	Confident	86.6	Confident	61 Å²	61	69.1 Å²	69.1	50%	0.504	35%	0.349	S	S	.	.			trans	-66.7	-41.9	179.1	0	0	0	0	0	112.8	R329 V330	R329-A332 PolarHBondContact NH2-O 2.84Å; R329-A332 VanDerWaalsContact NH2-O 3.14Å; V330-A332 VanDerWaalsContact C-N 3.28Å; V330-A332 PolarHBondContact O-N 2.73Å
333	N	81	Confident	87.4	Confident	41 Å²	41	70.3 Å²	70.3	22%	0.219	36%	0.356	C	S	.	.			trans	-66.5	168.1	-174.7	-66.2	-0.8	0	0	0	112.5	Q272 F273 A355	Q272-N333 HydrophobicContact CG-CB 4.27Å; Q272-N333 PolarHBondContact NE2-ND2 2.92Å; Q272-N333 VanDerWaalsContact NE2-ND2 3.13Å; F273-N333 HydrophobicContact CE1-CB 3.99Å; N333-A355 WeakPolarHBondContact ND2-CB 3.27Å
334	K	83.2	Confident	87.8	Confident	127 Å²	127	66.5 Å²	66.5	55%	0.552	33%	0.332	S	S	*	.			trans	-134.1	142.8	179.4	-63.3	175.2	-173.6	165.7	0	109.7	I336	K334-I336 PolarHBondContact O-N 3.32Å
335	P	86.3	Confident	88.1	Confident	18 Å²	18	67.9 Å²	67.9	12%	0.117	34%	0.341	C	S	.	.			trans	-69.7	89.8	174.7	27.7	-34	0	0	0	110.4	F273 W337 R408	F273-P335 HydrophobicContact CB-CB 4.35Å; F273-P335 HydrophobicContact CD1-CB 4.33Å; P335-W337 VanDerWaalsContact C-N 3.32Å; P335-W337 HydrophobicContact CB-CD2 4.11Å; P335-W337 HydrophobicContact CB-CE3 4.41Å; P335-W337 HydrophobicContact CB-CH2 3.94Å; P335-W337 HydrophobicContact CB-CZ2 3.53Å; P335-W337 HydrophobicContact CB-CZ3 4.33Å; P335-R408 VanDerWaalsContact CG-NH1 3.32Å
336	I	90.1	Very high	88.3	Confident	6 Å²	6	67 Å²	67	3%	0.031	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-75	-19.7	-177.7	51.1	160.4	0	0	0	113.3	K334 K338 R339 V344 Y349 L352 H368 I380	K334-I336 PolarHBondContact O-N 3.32Å; I336-K338 VanDerWaalsContact C-N 3.3Å; I336-K338 PolarHBondContact O-N 3.11Å; I336-R339 WeakPolarHBondContact O-CB 3.35Å; I336-R339 PolarHBondContact O-N 3.45Å; I336-V344 HydrophobicContact CB-CG1 4.13Å; I336-V344 HydrophobicContact CB-CG2 4.27Å; I336-V344 HydrophobicContact CD1-CG1 4.06Å; I336-V344 HydrophobicContact CG2-CG1 4.23Å; I336-Y349 HydrophobicContact CD1-CD1 3.72Å; I336-Y349 HydrophobicContact CD1-CE1 4.16Å; I336-Y349 HydrophobicContact CD1-CG 4.26Å; I336-L352 HydrophobicContact CD1-CB 4.04Å; I336-L352 HydrophobicContact CD1-CD2 3.72Å; I336-L352 HydrophobicContact CD1-CG 4.48Å; I336-L352 HydrophobicContact CG1-CD2 3.74Å; I336-H368 PolarHBondContact O-CE1 3.14Å; I336-I380 HydrophobicContact CD1-CD1 3.77Å; I336-I380 HydrophobicContact CG1-CD1 3.68Å
337	W	90.2	Very high	88.4	Confident	4 Å²	4	69.7 Å²	69.7	2%	0.015	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-68.5	-22.4	176.7	56.2	88.8	0	0	0	114.4	F273 P335 R339 L352 H368 I380 I429 D431	F273-W337 HydrophobicContact CB-CH2 4.13Å; F273-W337 HydrophobicContact CB-CZ2 4.27Å; F273-W337 AromaticContact CD1-CH2 3.36Å; F273-W337 HydrophobicContact CD1-CH2 3.36Å; F273-W337 HydrophobicContact CD1-CZ2 4.23Å; F273-W337 AromaticContact CD1-CZ3 3.89Å; F273-W337 HydrophobicContact CD1-CZ3 3.89Å; F273-W337 AromaticContact CD2-CH2 3.68Å; F273-W337 HydrophobicContact CD2-CH2 3.68Å; F273-W337 HydrophobicContact CD2-CZ2 4.42Å; F273-W337 AromaticContact CE1-CH2 3.53Å; F273-W337 HydrophobicContact CE1-CH2 3.53Å; F273-W337 AromaticContact CE1-CZ3 3.66Å; F273-W337 HydrophobicContact CE1-CZ3 3.66Å; F273-W337 AromaticContact CE2-CH2 3.84Å; F273-W337 HydrophobicContact CE2-CH2 3.84Å; F273-W337 HydrophobicContact CE2-CZ3 4.46Å; F273-W337 AromaticContact CG-CH2 3.42Å; F273-W337 HydrophobicContact CG-CH2 3.42Å; F273-W337 VanDerWaalsContact CG-CH2 3.42Å; F273-W337 HydrophobicContact CG-CZ2 4.04Å; F273-W337 HydrophobicContact CG-CZ3 4.37Å; F273-W337 AromaticContact CZ-CH2 3.77Å; F273-W337 HydrophobicContact CZ-CH2 3.77Å; F273-W337 AromaticContact CZ-CZ3 3.97Å; F273-W337 HydrophobicContact CZ-CZ3 3.97Å; P335-W337 VanDerWaalsContact C-N 3.32Å; P335-W337 HydrophobicContact CB-CD2 4.11Å; P335-W337 HydrophobicContact CB-CE3 4.41Å; P335-W337 HydrophobicContact CB-CH2 3.94Å; P335-W337 HydrophobicContact CB-CZ2 3.53Å; P335-W337 HydrophobicContact CB-CZ3 4.33Å; W337-R339 VanDerWaalsContact C-N 3.31Å; W337-L352 HydrophobicContact CE3-CD2 4.45Å; W337-L352 HydrophobicContact CZ3-CD2 4.35Å; W337-H368 WeakPolarHBondContact CA-NE2 3.03Å; W337-H368 PolarHBondContact O-NE2 2.9Å; W337-I380 HydrophobicContact CB-CD1 3.8Å; W337-I380 HydrophobicContact CB-CG1 3.91Å; W337-I429 HydrophobicContact CD2-CG2 4.18Å; W337-I429 HydrophobicContact CE3-CD1 4.36Å; W337-I429 HydrophobicContact CE3-CG2 4.04Å; W337-I429 HydrophobicContact CH2-CD1 4.02Å; W337-I429 HydrophobicContact CH2-CG2 3.86Å; W337-I429 HydrophobicContact CZ2-CG2 4.06Å; W337-I429 HydrophobicContact CZ3-CB 4.49Å; W337-I429 HydrophobicContact CZ3-CD1 3.6Å; W337-I429 HydrophobicContact CZ3-CG2 3.89Å; W337-D431 VanDerWaalsContact NE1-CG 3.3Å; W337-D431 PolarHBondContact NE1-OD2 3.12Å
338	K	87.2	Confident	88.3	Confident	56 Å²	56	68 Å²	68	24%	0.243	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-85.2	0.3	170.3	-61.2	-61.8	-146.6	-154.4	0	112.9	I336 D431 D433	I336-K338 VanDerWaalsContact C-N 3.3Å; I336-K338 PolarHBondContact O-N 3.11Å; K338-D431 WeakPolarHBondContact CE-OD2 3.16Å; K338-D431 IonicContact NZ-OD2 3.53Å; K338-D431 PolarHBondContact NZ-OD2 2.85Å; K338-D433 WeakPolarHBondContact CE-OD1 3.25Å; K338-D433 IonicContact NZ-OD1 3.87Å; K338-D433 PolarHBondContact NZ-OD1 3.33Å; K338-D433 IonicContact NZ-OD2 2.77Å; K338-D433 PolarHBondContact NZ-OD2 2.76Å
339	R	89.8	Confident	88.4	Confident	81 Å²	81	65.7 Å²	65.7	31%	0.306	33%	0.333	S	S	.	.	S	Bend	trans	-92.8	154.3	167.8	-72.1	161.4	64.1	179.9	-3.2	108.8	I336 W337 D343 V344 E348 H368	I336-R339 WeakPolarHBondContact O-CB 3.35Å; I336-R339 PolarHBondContact O-N 3.45Å; W337-R339 VanDerWaalsContact C-N 3.31Å; R339-D343 PolarHBondContact NH2-O 2.66Å; R339-V344 HydrophobicContact CB-CG2 3.65Å; R339-E348 IonicContact CZ-OE1 3.41Å; R339-E348 VanDerWaalsContact CZ-OE1 3.28Å; R339-E348 IonicContact CZ-OE2 3.12Å; R339-E348 IonicContact NH1-OE1 3.44Å; R339-E348 PolarHBondContact NH1-OE1 2.89Å; R339-E348 IonicContact NH1-OE2 2.63Å; R339-E348 IonicContact NH2-OE1 2.68Å; R339-E348 PolarHBondContact NH2-OE1 3.41Å; R339-E348 IonicContact NH2-OE2 3.08Å; R339-E348 PolarHBondContact NH2-OE2 2.92Å; R339-H368 PolarHBondContact O-CE1 3.39Å
340	K	89.5	Confident	88.5	Confident	148 Å²	148	61.9 Å²	61.9	64%	0.643	32%	0.321	S	S	*	.			trans	-64.3	140.2	172.8	-62.2	-170	175.7	-164.5	0	109.8	T342 D343	K340-T342 PolarHBondContact O-N 2.95Å; K340-D343 PolarHBondContact O-N 3.35Å
341	P	90.2	Very high	88.4	Confident	66 Å²	66	66.4 Å²	66.4	43%	0.429	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-54.1	-31.1	179.2	-27.3	32.6	0	0	0	114	D343 Y349 H368	P341-D343 PolarHBondContact O-N 3.18Å; P341-Y349 PolarHBondContact O-OH 3.11Å; P341-H368 HydrophobicContact CG-CB 4.4Å
342	T	90.8	Very high	88.5	Confident	120 Å²	120	66.7 Å²	66.7	74%	0.736	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-63	-23.5	175.2	52.7	0	0	0	0	114.9	K340	K340-T342 PolarHBondContact O-N 2.95Å
343	D	91	Very high	89	Confident	98 Å²	98	63.9 Å²	63.9	52%	0.524	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-103.8	-2.7	-169.1	-56.8	-3.2	0	0	0	111.4	R339 K340 P341	R339-D343 PolarHBondContact NH2-O 2.66Å; K340-D343 PolarHBondContact O-N 3.35Å; P341-D343 PolarHBondContact O-N 3.18Å
344	V	90.2	Very high	89.3	Confident	12 Å²	12	66.7 Å²	66.7	7%	0.073	33%	0.326	C	S	.	.	S	Bend	trans	-107.2	129.6	-180	-174.5	0	0	0	0	109	I336 R339 E348 Y349	I336-V344 HydrophobicContact CB-CG1 4.13Å; I336-V344 HydrophobicContact CB-CG2 4.27Å; I336-V344 HydrophobicContact CD1-CG1 4.06Å; I336-V344 HydrophobicContact CG2-CG1 4.23Å; R339-V344 HydrophobicContact CB-CG2 3.65Å; V344-E348 HydrophobicContact CG1-CB 3.83Å; V344-Y349 HydrophobicContact CB-CD2 4.47Å; V344-Y349 HydrophobicContact CB-CE2 3.69Å; V344-Y349 HydrophobicContact CG1-CD1 4.37Å; V344-Y349 HydrophobicContact CG1-CD2 3.76Å; V344-Y349 HydrophobicContact CG1-CE1 4.09Å; V344-Y349 HydrophobicContact CG1-CE2 3.44Å; V344-Y349 VanDerWaalsContact CG1-CE2 3.44Å; V344-Y349 HydrophobicContact CG1-CG 4.22Å
345	T	91.5	Very high	89.3	Confident	79 Å²	79	62.5 Å²	62.5	49%	0.485	32%	0.315	S	S	.	.			trans	-87.4	154.4	-179.5	61	0	0	0	0	112	K347 E348 Y349	T345-K347 PolarHBondContact O-N 3.11Å; T345-K347 VanDerWaalsContact O-N 3.09Å; T345-E348 PolarHBondContact N-OE2 2.76Å; T345-E348 WeakPolarHBondContact O-CB 3.07Å; T345-E348 PolarHBondContact O-N 3.24Å; T345-E348 WeakPolarHBondContact OG1-CG 3.46Å; T345-E348 PolarHBondContact OG1-OE2 3.43Å; T345-Y349 VanDerWaalsContact O-CD2 3.28Å; T345-Y349 WeakPolarHBondContact O-CD2 3.28Å; T345-Y349 PolarHBondContact O-N 2.89Å
346	D	90.4	Very high	89	Confident	108 Å²	108	63.2 Å²	63.2	58%	0.578	32%	0.315	S	S	*	.	H	α-helix	trans	-52.6	-36.4	179.1	-64	-57.6	0	0	0	113.5	Y349 N350 K366	D346-Y349 PolarHBondContact O-N 3.12Å; D346-N350 PolarHBondContact O-N 2.95Å; D346-N350 PolarHBondContact O-OD1 2.9Å; D346-K366 IonicContact OD1-NZ 3.87Å; D346-K366 PolarHBondContact OD1-NZ 2.77Å
347	K	89.9	Confident	88.4	Confident	154 Å²	154	63.8 Å²	63.8	67%	0.67	32%	0.32	S	S	*	.	H	α-helix	trans	-64.6	-38.9	176.4	-62.2	-167.5	174.7	-161.5	0	113	T345 Y349 N350 E351	T345-K347 PolarHBondContact O-N 3.11Å; T345-K347 VanDerWaalsContact O-N 3.09Å; K347-Y349 VanDerWaalsContact C-N 3.3Å; K347-Y349 PolarHBondContact O-N 3.23Å; K347-N350 PolarHBondContact O-N 3.3Å; K347-E351 VanDerWaalsContact O-CB 3.23Å; K347-E351 WeakPolarHBondContact O-CB 3.49Å; K347-E351 WeakPolarHBondContact O-CG 3.5Å; K347-E351 PolarHBondContact O-N 2.67Å
348	E	90.2	Very high	87.7	Confident	46 Å²	46	70.1 Å²	70.1	22%	0.215	35%	0.354	C	S	.	.	H	α-helix	trans	-67.4	-32.6	177	-69.1	168.7	115.1	0	0	111.6	R339 V344 T345 L352	R339-E348 IonicContact CZ-OE1 3.41Å; R339-E348 VanDerWaalsContact CZ-OE1 3.28Å; R339-E348 IonicContact CZ-OE2 3.12Å; R339-E348 IonicContact NH1-OE1 3.44Å; R339-E348 PolarHBondContact NH1-OE1 2.89Å; R339-E348 IonicContact NH1-OE2 2.63Å; R339-E348 IonicContact NH2-OE1 2.68Å; R339-E348 PolarHBondContact NH2-OE1 3.41Å; R339-E348 IonicContact NH2-OE2 3.08Å; R339-E348 PolarHBondContact NH2-OE2 2.92Å; V344-E348 HydrophobicContact CG1-CB 3.83Å; T345-E348 PolarHBondContact N-OE2 2.76Å; T345-E348 WeakPolarHBondContact O-CB 3.07Å; T345-E348 PolarHBondContact O-N 3.24Å; T345-E348 WeakPolarHBondContact OG1-CG 3.46Å; T345-E348 PolarHBondContact OG1-OE2 3.43Å; E348-L352 PolarHBondContact O-N 2.91Å; E348-L352 VanDerWaalsContact O-N 3.1Å
349	Y	92	Very high	87.3	Confident	13 Å²	13	70.7 Å²	70.7	5%	0.051	36%	0.36	C	S	.	.	H	α-helix	trans	-69.2	-41.5	171.6	-68.1	-79.2	0	0	0	112.3	I336 P341 V344 T345 D346 K347 L352 F353 K366 H368 I380 Y382	I336-Y349 HydrophobicContact CD1-CD1 3.72Å; I336-Y349 HydrophobicContact CD1-CE1 4.16Å; I336-Y349 HydrophobicContact CD1-CG 4.26Å; P341-Y349 PolarHBondContact O-OH 3.11Å; V344-Y349 HydrophobicContact CB-CD2 4.47Å; V344-Y349 HydrophobicContact CB-CE2 3.69Å; V344-Y349 HydrophobicContact CG1-CD1 4.37Å; V344-Y349 HydrophobicContact CG1-CD2 3.76Å; V344-Y349 HydrophobicContact CG1-CE1 4.09Å; V344-Y349 HydrophobicContact CG1-CE2 3.44Å; V344-Y349 VanDerWaalsContact CG1-CE2 3.44Å; V344-Y349 HydrophobicContact CG1-CG 4.22Å; T345-Y349 VanDerWaalsContact O-CD2 3.28Å; T345-Y349 WeakPolarHBondContact O-CD2 3.28Å; T345-Y349 PolarHBondContact O-N 2.89Å; D346-Y349 PolarHBondContact O-N 3.12Å; K347-Y349 VanDerWaalsContact C-N 3.3Å; K347-Y349 PolarHBondContact O-N 3.23Å; Y349-L352 PolarHBondContact O-N 2.89Å; Y349-F353 PolarHBondContact O-N 2.77Å; Y349-K366 HydrophobicContact CD1-CD 4.23Å; Y349-K366 HydrophobicContact CD2-CD 4.25Å; Y349-K366 HydrophobicContact CG-CD 3.86Å; Y349-H368 HydrophobicContact CE1-CB 3.96Å; Y349-H368 AromaticContact CE1-ND1 3.61Å; Y349-H368 AromaticContact CZ-ND1 3.67Å; Y349-H368 PolarHBondContact OH-ND1 3.28Å; Y349-I380 HydrophobicContact CD1-CD1 4.26Å; Y349-I380 HydrophobicContact CD1-CG2 4.3Å; Y349-I380 HydrophobicContact CE1-CD1 3.97Å; Y349-I380 HydrophobicContact CE1-CG2 4.47Å; Y349-Y382 PolarHBondContact O-OH 3.5Å
350	N	91.3	Very high	86.9	Confident	31 Å²	31	73.9 Å²	73.9	17%	0.166	38%	0.383	C	S	.	.	H	α-helix	trans	-74.3	-34.9	-179.2	-64.4	23.7	0	0	0	111.5	D346 K347 L352 F353 R354 D362	D346-N350 PolarHBondContact O-N 2.95Å; D346-N350 PolarHBondContact O-OD1 2.9Å; K347-N350 PolarHBondContact O-N 3.3Å; N350-L352 VanDerWaalsContact C-N 3.33Å; N350-F353 PolarHBondContact O-N 3.23Å; N350-R354 VanDerWaalsContact O-CD 3.3Å; N350-R354 WeakPolarHBondContact O-CD 3.14Å; N350-R354 VanDerWaalsContact O-CG 3.24Å; N350-R354 WeakPolarHBondContact O-CG 3.44Å; N350-R354 PolarHBondContact O-N 3.5Å; N350-D362 WeakPolarHBondContact CB-OD1 3.36Å; N350-D362 PolarHBondContact ND2-OD1 2.94Å
351	E	87	Confident	86.7	Confident	123 Å²	123	70.2 Å²	70.2	58%	0.575	37%	0.371	S	S	*	.	H	α-helix	trans	-64.3	-34.6	170.7	-75.5	168.8	-158.2	0	0	111.8	K347 A355	K347-E351 VanDerWaalsContact O-CB 3.23Å; K347-E351 WeakPolarHBondContact O-CB 3.49Å; K347-E351 WeakPolarHBondContact O-CG 3.5Å; K347-E351 PolarHBondContact O-N 2.67Å; E351-A355 VanDerWaalsContact O-CB 3.26Å; E351-A355 WeakPolarHBondContact O-CB 3.23Å; E351-A355 PolarHBondContact O-N 2.76Å
352	L	88.1	Confident	86.7	Confident	9 Å²	9	69.7 Å²	69.7	5%	0.047	36%	0.364	C	S	.	.	H	α-helix	trans	-67.4	-50.4	170.1	-178.4	70.3	0	0	0	111.3	F273 I336 W337 E348 Y349 N350 R354 A355 Y356 I380 Y382 I429	F273-L352 HydrophobicContact CE1-CD1 3.84Å; F273-L352 HydrophobicContact CZ-CD1 3.91Å; I336-L352 HydrophobicContact CD1-CB 4.04Å; I336-L352 HydrophobicContact CD1-CD2 3.72Å; I336-L352 HydrophobicContact CD1-CG 4.48Å; I336-L352 HydrophobicContact CG1-CD2 3.74Å; W337-L352 HydrophobicContact CE3-CD2 4.45Å; W337-L352 HydrophobicContact CZ3-CD2 4.35Å; E348-L352 PolarHBondContact O-N 2.91Å; E348-L352 VanDerWaalsContact O-N 3.1Å; Y349-L352 PolarHBondContact O-N 2.89Å; N350-L352 VanDerWaalsContact C-N 3.33Å; L352-R354 PolarHBondContact O-N 2.68Å; L352-A355 CarbonylContact O-C 3.59Å; L352-A355 PolarHBondContact O-N 3.05Å; L352-A355 VanDerWaalsContact O-N 3.15Å; L352-Y356 WeakPolarHBondContact O-CB 3.24Å; L352-Y356 PolarHBondContact O-N 2.77Å; L352-I380 HydrophobicContact CD2-CD1 4.48Å; L352-Y382 HydrophobicContact CD2-CE2 4.47Å; L352-I429 HydrophobicContact CD2-CD1 4.31Å
353	F	89.2	Confident	86.8	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.009	33%	0.334	C	S	.	.	H	α-helix	trans	-55.6	-54.7	-176.8	176.9	-99	0	0	0	112.2	Y349 N350 A355 Y356 S357 D359 P363 Y382 P384 F427	Y349-F353 PolarHBondContact O-N 2.77Å; N350-F353 PolarHBondContact O-N 3.23Å; F353-A355 PolarHBondContact O-N 2.8Å; F353-Y356 WeakPolarHBondContact O-CA 3Å; F353-Y356 WeakPolarHBondContact O-CB 3.31Å; F353-Y356 PolarHBondContact O-N 2.88Å; F353-S357 WeakPolarHBondContact CZ-OG 3.24Å; F353-S357 PolarHBondContact O-N 3.1Å; F353-S357 PolarHBondContact O-OG 2.96Å; F353-D359 HydrophobicContact CE1-CB 4.16Å; F353-P363 HydrophobicContact CB-CG 4.27Å; F353-P363 HydrophobicContact CD1-CB 4.14Å; F353-P363 HydrophobicContact CD1-CG 4.16Å; F353-P363 HydrophobicContact CD2-CB 4.07Å; F353-P363 HydrophobicContact CD2-CG 4.42Å; F353-P363 HydrophobicContact CE1-CB 4.23Å; F353-P363 HydrophobicContact CE2-CB 4.17Å; F353-P363 HydrophobicContact CG-CB 4.06Å; F353-P363 HydrophobicContact CG-CG 4.01Å; F353-P363 HydrophobicContact CZ-CB 4.27Å; F353-Y382 HydrophobicContact CB-CD1 4.17Å; F353-Y382 HydrophobicContact CB-CE1 3.85Å; F353-Y382 AromaticContact CD2-CD1 3.83Å; F353-Y382 HydrophobicContact CD2-CD1 3.83Å; F353-Y382 HydrophobicContact CD2-CD2 4.15Å; F353-Y382 HydrophobicContact CD2-CE1 4.34Å; F353-Y382 AromaticContact CD2-CG 3.69Å; F353-Y382 HydrophobicContact CD2-CG 3.69Å; F353-Y382 HydrophobicContact CE2-CG 4.38Å; F353-Y382 HydrophobicContact CG-CD1 4.26Å; F353-Y382 HydrophobicContact CG-CE1 4.43Å; F353-P384 HydrophobicContact CZ-CB 4.13Å; F353-F427 HydrophobicContact CE2-CB 4.34Å
354	R	87.3	Confident	86.8	Confident	99 Å²	99	61.1 Å²	61.1	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-59.7	-29	178.6	-64.4	159.7	179.2	-112.7	2.6	113.4	N350 L352 Y356 D359 N360 D361 D362	N350-R354 VanDerWaalsContact O-CD 3.3Å; N350-R354 WeakPolarHBondContact O-CD 3.14Å; N350-R354 VanDerWaalsContact O-CG 3.24Å; N350-R354 WeakPolarHBondContact O-CG 3.44Å; N350-R354 PolarHBondContact O-N 3.5Å; L352-R354 PolarHBondContact O-N 2.68Å; R354-Y356 VanDerWaalsContact C-N 3.29Å; R354-D359 WeakPolarHBondContact CA-O 3.28Å; R354-D359 WeakPolarHBondContact CB-O 3.49Å; R354-D359 WeakPolarHBondContact CG-O 3.38Å; R354-N360 VanDerWaalsContact CZ-O 3.24Å; R354-N360 PolarHBondContact NH1-O 2.66Å; R354-D361 VanDerWaalsContact CG-O 3.26Å; R354-D361 WeakPolarHBondContact CG-O 3.12Å; R354-D362 IonicContact CZ-OD1 2.68Å; R354-D362 IonicContact NE-OD1 3.44Å; R354-D362 PolarHBondContact NE-OD1 3.38Å; R354-D362 IonicContact NH2-OD1 3.28Å; R354-D362 PolarHBondContact NH2-OD1 3.14Å; R354-D362 IonicContact NH2-OD2 2.7Å; R354-D362 PolarHBondContact NH2-OD2 3.04Å
355	A	82.2	Confident	86.9	Confident	40 Å²	40	61.3 Å²	61.3	33%	0.331	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	12.5	178	0	0	0	0	0	113.3	N333 E351 L352 F353	N333-A355 WeakPolarHBondContact ND2-CB 3.27Å; E351-A355 VanDerWaalsContact O-CB 3.26Å; E351-A355 WeakPolarHBondContact O-CB 3.23Å; E351-A355 PolarHBondContact O-N 2.76Å; L352-A355 CarbonylContact O-C 3.59Å; L352-A355 PolarHBondContact O-N 3.05Å; L352-A355 VanDerWaalsContact O-N 3.15Å; F353-A355 PolarHBondContact O-N 2.8Å
356	Y	81.3	Confident	87	Confident	32 Å²	32	60.5 Å²	60.5	13%	0.125	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-53.1	-178.3	176.9	-95.4	0	0	0	111.8	L352 F353 R354 N358 R401 K403 F427 G428 I429	L352-Y356 WeakPolarHBondContact O-CB 3.24Å; L352-Y356 PolarHBondContact O-N 2.77Å; F353-Y356 WeakPolarHBondContact O-CA 3Å; F353-Y356 WeakPolarHBondContact O-CB 3.31Å; F353-Y356 PolarHBondContact O-N 2.88Å; R354-Y356 VanDerWaalsContact C-N 3.29Å; Y356-N358 VanDerWaalsContact C-N 3.27Å; Y356-N358 PolarHBondContact O-N 2.84Å; Y356-R401 WeakPolarHBondContact CE1-O 3.06Å; Y356-R401 VanDerWaalsContact OH-C 3.25Å; Y356-R401 PolarHBondContact OH-O 2.79Å; Y356-K403 HydrophobicContact CE2-CB 4.21Å; Y356-K403 HydrophobicContact CE2-CD 4.29Å; Y356-K403 HydrophobicContact CE2-CG 3.75Å; Y356-K403 VanDerWaalsContact OH-CG 3.28Å; Y356-K403 WeakPolarHBondContact OH-CG 3.37Å; Y356-K403 PolarHBondContact OH-N 3.1Å; Y356-K403 VanDerWaalsContact OH-N 3.1Å; Y356-F427 HydrophobicContact CD1-CB 4.5Å; Y356-F427 HydrophobicContact CD1-CD1 4.19Å; Y356-F427 HydrophobicContact CE1-CB 4.12Å; Y356-F427 AromaticContact CE1-CD1 3.9Å; Y356-F427 HydrophobicContact CE1-CD1 3.9Å; Y356-G428 PolarHBondContact OH-O 3.44Å; Y356-I429 HydrophobicContact CD2-CD1 4.08Å; Y356-I429 HydrophobicContact CD2-CG1 4.3Å; Y356-I429 HydrophobicContact CE2-CD1 4.11Å; Y356-I429 HydrophobicContact CE2-CG1 3.86Å
357	S	76.7	Confident	87.1	Confident	18 Å²	18	56.2 Å²	56.2	13%	0.126	28%	0.284	C	S	.	.	S	Bend	trans	-79.8	-8.6	175.1	68.6	0	0	0	0	113.6	F353 D359	F353-S357 WeakPolarHBondContact CZ-OG 3.24Å; F353-S357 PolarHBondContact O-N 3.1Å; F353-S357 PolarHBondContact O-OG 2.96Å; S357-D359 WeakPolarHBondContact CB-OD2 3.13Å; S357-D359 PolarHBondContact O-N 2.88Å; S357-D359 WeakPolarHBondContact OG-CB 3.49Å; S357-D359 VanDerWaalsContact OG-CG 3.27Å; S357-D359 PolarHBondContact OG-N 2.85Å; S357-D359 PolarHBondContact OG-OD2 2.8Å
358	N	76.8	Confident	87.3	Confident	138 Å²	138	50.2 Å²	50.2	74%	0.738	26%	0.258	S	S	*	.			trans	63.2	1.9	-168.7	-55.1	-61.4	0	0	0	115.3	Y356	Y356-N358 VanDerWaalsContact C-N 3.27Å; Y356-N358 PolarHBondContact O-N 2.84Å
359	D	78.2	Confident	87.5	Confident	67 Å²	67	49.2 Å²	49.2	36%	0.358	25%	0.253	S	S	.	.			trans	-65.6	144.6	174.1	-62.2	-55.2	0	0	0	112	F353 R354 S357 D361	F353-D359 HydrophobicContact CE1-CB 4.16Å; R354-D359 WeakPolarHBondContact CA-O 3.28Å; R354-D359 WeakPolarHBondContact CB-O 3.49Å; R354-D359 WeakPolarHBondContact CG-O 3.38Å; S357-D359 WeakPolarHBondContact CB-OD2 3.13Å; S357-D359 PolarHBondContact O-N 2.88Å; S357-D359 WeakPolarHBondContact OG-CB 3.49Å; S357-D359 VanDerWaalsContact OG-CG 3.27Å; S357-D359 PolarHBondContact OG-N 2.85Å; S357-D359 PolarHBondContact OG-OD2 2.8Å; D359-D361 PolarHBondContact O-N 2.76Å
360	N	80.8	Confident	87.4	Confident	148 Å²	148	51.4 Å²	51.4	79%	0.791	27%	0.271	S	S	*	.	S	Bend	trans	-79	-8.2	168.3	-75.7	-79.5	0	0	0	113	R354	R354-N360 VanDerWaalsContact CZ-O 3.24Å; R354-N360 PolarHBondContact NH1-O 2.66Å
361	D	86.4	Confident	87	Confident	72 Å²	72	50.3 Å²	50.3	39%	0.385	27%	0.266	S	S	.	.	S	Bend	trans	-91.1	167.5	-168.8	-128.3	-48.5	0	0	0	113.9	R354 D359 K385	R354-D361 VanDerWaalsContact CG-O 3.26Å; R354-D361 WeakPolarHBondContact CG-O 3.12Å; D359-D361 PolarHBondContact O-N 2.76Å; D361-K385 IonicContact OD1-NZ 3.89Å; D361-K385 PolarHBondContact OD1-NZ 2.96Å
362	D	89.8	Confident	86.5	Confident	55 Å²	55	52 Å²	52	29%	0.294	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-89.9	142.9	170.2	-69.1	-47.4	0	0	0	110.4	N350 R354 K385	N350-D362 WeakPolarHBondContact CB-OD1 3.36Å; N350-D362 PolarHBondContact ND2-OD1 2.94Å; R354-D362 IonicContact CZ-OD1 2.68Å; R354-D362 IonicContact NE-OD1 3.44Å; R354-D362 PolarHBondContact NE-OD1 3.38Å; R354-D362 IonicContact NH2-OD1 3.28Å; R354-D362 PolarHBondContact NH2-OD1 3.14Å; R354-D362 IonicContact NH2-OD2 2.7Å; R354-D362 PolarHBondContact NH2-OD2 3.04Å; D362-K385 WeakPolarHBondContact O-CD 3.27Å; D362-K385 WeakPolarHBondContact O-CE 3.07Å; D362-K385 WeakPolarHBondContact O-CG 3.48Å
363	P	91.9	Very high	85.8	Confident	17 Å²	17	53.8 Å²	53.8	11%	0.11	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-67.3	149.9	177.4	29	-34.4	0	0	0	111.5	F353 Y382	F353-P363 HydrophobicContact CB-CG 4.27Å; F353-P363 HydrophobicContact CD1-CB 4.14Å; F353-P363 HydrophobicContact CD1-CG 4.16Å; F353-P363 HydrophobicContact CD2-CB 4.07Å; F353-P363 HydrophobicContact CD2-CG 4.42Å; F353-P363 HydrophobicContact CE1-CB 4.23Å; F353-P363 HydrophobicContact CE2-CB 4.17Å; F353-P363 HydrophobicContact CG-CB 4.06Å; F353-P363 HydrophobicContact CG-CG 4.01Å; F353-P363 HydrophobicContact CZ-CB 4.27Å; P363-Y382 HydrophobicContact CB-CD1 3.8Å; P363-Y382 HydrophobicContact CG-CD1 3.68Å; P363-Y382 HydrophobicContact CG-CE1 4.02Å
364	L	91.5	Very high	85.2	Confident	21 Å²	21	60.1 Å²	60.1	11%	0.11	33%	0.329	C	S	.	.	S	Bend	trans	-69.7	-40.4	178.5	179.2	60.9	0	0	0	111.9	I383 K385 Q472 F476	L364-I383 HydrophobicContact CB-CG2 4.46Å; L364-I383 HydrophobicContact CD2-CG2 4.32Å; L364-I383 PolarHBondContact N-O 3Å; L364-K385 HydrophobicContact CB-CG 4.22Å; L364-Q472 HydrophobicContact CD1-CB 4.31Å; L364-Q472 HydrophobicContact CD1-CG 4.39Å; L364-Q472 PolarHBondContact O-NE2 3.05Å; L364-F476 HydrophobicContact CD2-CB 3.94Å; L364-F476 HydrophobicContact CD2-CD2 4.29Å
365	A	92.6	Very high	84.8	Confident	16 Å²	16	55.8 Å²	55.8	13%	0.132	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	164.4	177.1	0	0	0	0	0	111.1	Y382 I383 M464 L468	A365-Y382 WeakPolarHBondContact O-CA 3.38Å; A365-I383 HydrophobicContact CB-CB 4.36Å; A365-I383 HydrophobicContact CB-CD1 4.31Å; A365-I383 HydrophobicContact CB-CG1 4.47Å; A365-I383 PolarHBondContact O-N 2.83Å; A365-M464 HydrophobicContact CB-CG 4.01Å; A365-M464 HydrophobicContact CB-SD 4.11Å; A365-L468 HydrophobicContact CB-CD2 3.69Å
366	K	93	Very high	85	Confident	62 Å²	62	56.6 Å²	56.6	27%	0.27	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	149.9	177	69.5	-164.3	177	-157	0	110.6	D346 Y349 L381 Y382 M464	D346-K366 IonicContact OD1-NZ 3.87Å; D346-K366 PolarHBondContact OD1-NZ 2.77Å; Y349-K366 HydrophobicContact CD1-CD 4.23Å; Y349-K366 HydrophobicContact CD2-CD 4.25Å; Y349-K366 HydrophobicContact CG-CD 3.86Å; K366-L381 CarbonylContact C-O 3.25Å; K366-L381 VanDerWaalsContact CA-O 3.24Å; K366-L381 WeakPolarHBondContact CA-O 3.41Å; K366-Y382 HydrophobicContact CB-CD1 3.64Å; K366-Y382 HydrophobicContact CB-CE1 3.93Å; K366-Y382 HydrophobicContact CB-CG 4.42Å; K366-Y382 HydrophobicContact CD-CE1 4.37Å; K366-M464 VanDerWaalsContact CA-SD 3.57Å
367	I	94.1	Very high	85.4	Confident	17 Å²	17	55.2 Å²	55.2	9%	0.087	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137.8	171.3	-168.8	169	0	0	0	109.6	F369 I380 L381 K460 M464	I367-F369 HydrophobicContact CG1-CD1 4.21Å; I367-F369 HydrophobicContact CG2-CD1 4.38Å; I367-F369 HydrophobicContact CG2-CE1 4.35Å; I367-I380 VanDerWaalsContact O-CA 3.32Å; I367-I380 WeakPolarHBondContact O-CA 2.95Å; I367-L381 HydrophobicContact CG2-CB 3.91Å; I367-L381 HydrophobicContact CG2-CD1 4.42Å; I367-L381 HydrophobicContact CG2-CG 4.4Å; I367-L381 PolarHBondContact N-O 2.71Å; I367-L381 PolarHBondContact O-N 2.88Å; I367-K460 HydrophobicContact CD1-CB 4.28Å; I367-K460 HydrophobicContact CD1-CD 3.75Å; I367-M464 HydrophobicContact CB-CB 4.17Å; I367-M464 HydrophobicContact CB-CG 4.36Å; I367-M464 HydrophobicContact CB-SD 3.95Å; I367-M464 HydrophobicContact CD1-CB 4.38Å; I367-M464 HydrophobicContact CG2-CB 4.16Å; I367-M464 HydrophobicContact CG2-CE 3.92Å; I367-M464 HydrophobicContact CG2-CG 4.48Å; I367-M464 HydrophobicContact CG2-SD 3.75Å
368	H	94.1	Very high	86.1	Confident	28 Å²	28	55.2 Å²	55.2	13%	0.13	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	118	179.3	176.9	-172.1	0	0	0	108.6	I336 W337 R339 P341 Y349 S379 I380	I336-H368 PolarHBondContact O-CE1 3.14Å; W337-H368 WeakPolarHBondContact CA-NE2 3.03Å; W337-H368 PolarHBondContact O-NE2 2.9Å; R339-H368 PolarHBondContact O-CE1 3.39Å; P341-H368 HydrophobicContact CG-CB 4.4Å; Y349-H368 HydrophobicContact CE1-CB 3.96Å; Y349-H368 AromaticContact CE1-ND1 3.61Å; Y349-H368 AromaticContact CZ-ND1 3.67Å; Y349-H368 PolarHBondContact OH-ND1 3.28Å; H368-S379 WeakPolarHBondContact CA-O 3.16Å; H368-S379 PolarHBondContact CD2-O 2.89Å; H368-I380 HydrophobicContact CB-CG1 3.92Å
369	F	92.6	Very high	86.9	Confident	26 Å²	26	48.6 Å²	48.6	11%	0.114	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	169.2	-176.6	65.7	-80.7	0	0	0	111.6	I367 F377 S379 L381 L457 K460	I367-F369 HydrophobicContact CG1-CD1 4.21Å; I367-F369 HydrophobicContact CG2-CD1 4.38Å; I367-F369 HydrophobicContact CG2-CE1 4.35Å; F369-F377 AromaticContact CE2-CE2 3.76Å; F369-F377 HydrophobicContact CE2-CE2 3.76Å; F369-F377 HydrophobicContact CE2-CZ 4.18Å; F369-F377 HydrophobicContact CZ-CE2 4.26Å; F369-S379 PolarHBondContact N-O 3.18Å; F369-S379 PolarHBondContact O-N 3.16Å; F369-S379 VanDerWaalsContact O-O 3.12Å; F369-L381 HydrophobicContact CE1-CD1 4.14Å; F369-L381 HydrophobicContact CE1-CG 4.33Å; F369-L457 HydrophobicContact CE2-CD2 4.44Å; F369-L457 HydrophobicContact CZ-CD2 3.76Å; F369-K460 HydrophobicContact CB-CD 4.5Å; F369-K460 HydrophobicContact CD1-CB 4.23Å; F369-K460 HydrophobicContact CD1-CD 4.01Å; F369-K460 HydrophobicContact CD1-CG 4.06Å; F369-K460 HydrophobicContact CD2-CD 4.18Å; F369-K460 HydrophobicContact CD2-CG 4.02Å; F369-K460 HydrophobicContact CE1-CB 3.67Å; F369-K460 HydrophobicContact CE1-CD 4.26Å; F369-K460 HydrophobicContact CE1-CG 3.81Å; F369-K460 HydrophobicContact CE2-CB 4.39Å; F369-K460 HydrophobicContact CE2-CD 4.43Å; F369-K460 HydrophobicContact CE2-CG 3.77Å; F369-K460 HydrophobicContact CG-CD 3.97Å; F369-K460 HydrophobicContact CG-CG 4.17Å; F369-K460 HydrophobicContact CZ-CB 3.76Å; F369-K460 HydrophobicContact CZ-CD 4.46Å; F369-K460 HydrophobicContact CZ-CG 3.65Å
370	S	89.8	Confident	87.6	Confident	59 Å²	59	45.5 Å²	45.5	41%	0.413	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140.5	164.1	-125.2	0	0	0	0	109.3	F377 S378	S370-F377 CarbonylContact C-O 3.55Å; S370-F377 VanDerWaalsContact CA-O 3.23Å; S370-F377 WeakPolarHBondContact CA-O 3.49Å; S370-F377 WeakPolarHBondContact CB-O 3.25Å; S370-F377 PolarHBondContact OG-O 3.12Å; S370-S378 WeakPolarHBondContact OG-CA 3.47Å; S370-S378 PolarHBondContact OG-OG 3.08Å
371	G	83.5	Confident	88.3	Confident	7 Å²	7	38.4 Å²	38.4	7%	0.072	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	124.7	161.8	0	0	0	0	0	109.2	F377	G371-F377 PolarHBondContact N-O 3.47Å; G371-F377 PolarHBondContact O-N 3.43Å
372	E	76.1	Confident	88.6	Confident	159 Å²	159	35.2 Å²	35.2	74%	0.743	20%	0.199	S	C	*	.			trans	-115.1	154	170.2	-65	-177.1	174.9	0	0	108.9	L376 R456	E372-L376 HydrophobicContact CB-CD2 4.44Å; E372-R456 PolarHBondContact O-NH1 2.8Å; E372-R456 PolarHBondContact O-NH2 3.39Å; E372-R456 VanDerWaalsContact O-NH2 3.15Å
373	G	73.7	Confident	88.8	Confident	47 Å²	47	32.6 Å²	32.6	49%	0.485	19%	0.185	S	C	.	.	S	Bend	trans	113.2	-145.4	-167.5	0	0	0	0	0	111	V375 L376	G373-V375 VanDerWaalsContact C-N 3.31Å; G373-V375 PolarHBondContact O-N 3.12Å; G373-L376 WeakPolarHBondContact O-CD2 3.23Å
374	D	76.2	Confident	88.7	Confident	134 Å²	134	32 Å²	32	72%	0.717	18%	0.181	S	C	*	.	S	Bend	trans	-66	-32.1	-166.4	-33.7	-75.9	0	0	0	112.9	R456	D374-R456 IonicContact OD2-NH2 2.69Å
375	V	80.2	Confident	88.7	Confident	8 Å²	8	34.6 Å²	34.6	5%	0.048	19%	0.192	C	C	.	.	S	Bend	trans	-116.7	114.2	168.9	-171.1	0	0	0	0	109.4	G373 F377 L435 L449 M452 I453	G373-V375 VanDerWaalsContact C-N 3.31Å; G373-V375 PolarHBondContact O-N 3.12Å; V375-F377 HydrophobicContact CB-CD1 4.44Å; V375-F377 HydrophobicContact CG1-CD1 4.05Å; V375-L435 HydrophobicContact CG1-CD2 4.45Å; V375-L449 HydrophobicContact CG2-CB 4.41Å; V375-L449 HydrophobicContact CG2-CD2 4.04Å; V375-M452 HydrophobicContact CG2-CE 4.02Å; V375-I453 HydrophobicContact CG1-CD1 4.13Å; V375-I453 HydrophobicContact CG1-CG1 4.12Å
376	L	86	Confident	88.5	Confident	57 Å²	57	39.1 Å²	39.1	30%	0.298	21%	0.21	S	C	.	.			trans	-85.1	115.7	171.4	-61	-168.5	0	0	0	110.6	E372 G373 S432 E434	E372-L376 HydrophobicContact CB-CD2 4.44Å; G373-L376 WeakPolarHBondContact O-CD2 3.23Å; L376-S432 WeakPolarHBondContact O-CB 3.47Å; L376-S432 PolarHBondContact O-OG 2.64Å; L376-E434 WeakPolarHBondContact CD1-OE2 3.04Å; L376-E434 WeakPolarHBondContact CG-OE2 3.43Å
377	F	90.1	Very high	88.1	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157.4	174.3	68.4	-90.4	0	0	0	111.9	F369 S370 G371 V375 V430 I453 R456 L457	F369-F377 AromaticContact CE2-CE2 3.76Å; F369-F377 HydrophobicContact CE2-CE2 3.76Å; F369-F377 HydrophobicContact CE2-CZ 4.18Å; F369-F377 HydrophobicContact CZ-CE2 4.26Å; S370-F377 CarbonylContact C-O 3.55Å; S370-F377 VanDerWaalsContact CA-O 3.23Å; S370-F377 WeakPolarHBondContact CA-O 3.49Å; S370-F377 WeakPolarHBondContact CB-O 3.25Å; S370-F377 PolarHBondContact OG-O 3.12Å; G371-F377 PolarHBondContact N-O 3.47Å; G371-F377 PolarHBondContact O-N 3.43Å; V375-F377 HydrophobicContact CB-CD1 4.44Å; V375-F377 HydrophobicContact CG1-CD1 4.05Å; F377-V430 HydrophobicContact CB-CG1 4.47Å; F377-V430 HydrophobicContact CD2-CG1 4Å; F377-V430 HydrophobicContact CG-CG1 4.44Å; F377-I453 HydrophobicContact CD1-CG1 4.22Å; F377-I453 HydrophobicContact CE1-CG1 4.08Å; F377-I453 HydrophobicContact CZ-CG2 4.36Å; F377-R456 HydrophobicContact CE1-CB 4.41Å; F377-R456 HydrophobicContact CZ-CB 3.97Å; F377-L457 HydrophobicContact CE2-CD2 3.78Å; F377-L457 HydrophobicContact CZ-CD2 4.17Å
378	S	91.9	Very high	87.4	Confident	17 Å²	17	39.5 Å²	39.5	12%	0.119	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137.1	170.4	-55.2	0	0	0	0	109.1	S370 D431	S370-S378 WeakPolarHBondContact OG-CA 3.47Å; S370-S378 PolarHBondContact OG-OG 3.08Å; S378-D431 PolarHBondContact N-O 3.08Å; S378-D431 PolarHBondContact O-N 3.49Å
379	S	92.6	Very high	86.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	148	-176.9	-179.2	0	0	0	0	113	H368 F369 I429	H368-S379 WeakPolarHBondContact CA-O 3.16Å; H368-S379 PolarHBondContact CD2-O 2.89Å; F369-S379 PolarHBondContact N-O 3.18Å; F369-S379 PolarHBondContact O-N 3.16Å; F369-S379 VanDerWaalsContact O-O 3.12Å; S379-I429 WeakPolarHBondContact CA-O 3.41Å; S379-I429 WeakPolarHBondContact CB-O 2.97Å; S379-I429 PolarHBondContact OG-O 2.79Å
380	I	94.1	Very high	85.6	Confident	1 Å²	1	47 Å²	47	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.9	165.3	-58.1	170.9	0	0	0	107.6	I336 W337 Y349 L352 I367 H368 Y382 G428 I429	I336-I380 HydrophobicContact CD1-CD1 3.77Å; I336-I380 HydrophobicContact CG1-CD1 3.68Å; W337-I380 HydrophobicContact CB-CD1 3.8Å; W337-I380 HydrophobicContact CB-CG1 3.91Å; Y349-I380 HydrophobicContact CD1-CD1 4.26Å; Y349-I380 HydrophobicContact CD1-CG2 4.3Å; Y349-I380 HydrophobicContact CE1-CD1 3.97Å; Y349-I380 HydrophobicContact CE1-CG2 4.47Å; L352-I380 HydrophobicContact CD2-CD1 4.48Å; I367-I380 VanDerWaalsContact O-CA 3.32Å; I367-I380 WeakPolarHBondContact O-CA 2.95Å; H368-I380 HydrophobicContact CB-CG1 3.92Å; I380-Y382 HydrophobicContact CB-CE2 4.35Å; I380-Y382 HydrophobicContact CG2-CD2 4.04Å; I380-Y382 HydrophobicContact CG2-CE1 4.44Å; I380-Y382 HydrophobicContact CG2-CE2 3.4Å; I380-Y382 VanDerWaalsContact CG2-CE2 3.4Å; I380-G428 CarbonylContact O-C 3.48Å; I380-G428 VanDerWaalsContact O-CA 3.26Å; I380-G428 WeakPolarHBondContact O-CA 3.26Å; I380-I429 PolarHBondContact N-O 2.91Å; I380-I429 VanDerWaalsContact N-O 3.13Å; I380-I429 PolarHBondContact O-N 2.94Å
381	L	93.6	Very high	84.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150.9	174.5	-50.1	177	0	0	0	109.7	K366 I367 F369 V426 F427 V461 M464	K366-L381 CarbonylContact C-O 3.25Å; K366-L381 VanDerWaalsContact CA-O 3.24Å; K366-L381 WeakPolarHBondContact CA-O 3.41Å; I367-L381 HydrophobicContact CG2-CB 3.91Å; I367-L381 HydrophobicContact CG2-CD1 4.42Å; I367-L381 HydrophobicContact CG2-CG 4.4Å; I367-L381 PolarHBondContact N-O 2.71Å; I367-L381 PolarHBondContact O-N 2.88Å; F369-L381 HydrophobicContact CE1-CD1 4.14Å; F369-L381 HydrophobicContact CE1-CG 4.33Å; L381-V426 HydrophobicContact CB-CG1 3.93Å; L381-V426 HydrophobicContact CD1-CG1 4.49Å; L381-V426 HydrophobicContact CD2-CG1 4.44Å; L381-F427 CarbonylContact C-O 3.56Å; L381-V461 HydrophobicContact CD1-CG2 3.72Å; L381-M464 HydrophobicContact CB-CE 4.24Å
382	Y	93.3	Very high	84.4	Confident	5 Å²	5	48.7 Å²	48.7	2%	0.02	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	147.1	-175.5	-65	-91.3	0	0	0	110.9	Y349 L352 F353 P363 A365 K366 I380 F427	Y349-Y382 PolarHBondContact O-OH 3.5Å; L352-Y382 HydrophobicContact CD2-CE2 4.47Å; F353-Y382 HydrophobicContact CB-CD1 4.17Å; F353-Y382 HydrophobicContact CB-CE1 3.85Å; F353-Y382 AromaticContact CD2-CD1 3.83Å; F353-Y382 HydrophobicContact CD2-CD1 3.83Å; F353-Y382 HydrophobicContact CD2-CD2 4.15Å; F353-Y382 HydrophobicContact CD2-CE1 4.34Å; F353-Y382 AromaticContact CD2-CG 3.69Å; F353-Y382 HydrophobicContact CD2-CG 3.69Å; F353-Y382 HydrophobicContact CE2-CG 4.38Å; F353-Y382 HydrophobicContact CG-CD1 4.26Å; F353-Y382 HydrophobicContact CG-CE1 4.43Å; P363-Y382 HydrophobicContact CB-CD1 3.8Å; P363-Y382 HydrophobicContact CG-CD1 3.68Å; P363-Y382 HydrophobicContact CG-CE1 4.02Å; A365-Y382 WeakPolarHBondContact O-CA 3.38Å; K366-Y382 HydrophobicContact CB-CD1 3.64Å; K366-Y382 HydrophobicContact CB-CE1 3.93Å; K366-Y382 HydrophobicContact CB-CG 4.42Å; K366-Y382 HydrophobicContact CD-CE1 4.37Å; I380-Y382 HydrophobicContact CB-CE2 4.35Å; I380-Y382 HydrophobicContact CG2-CD2 4.04Å; I380-Y382 HydrophobicContact CG2-CE1 4.44Å; I380-Y382 HydrophobicContact CG2-CE2 3.4Å; I380-Y382 VanDerWaalsContact CG2-CE2 3.4Å; Y382-F427 PolarHBondContact N-O 3.32Å; Y382-F427 PolarHBondContact O-N 3.37Å; Y382-F427 VanDerWaalsContact O-N 3.11Å
383	I	93.2	Very high	84	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.2	166.5	-57.5	179.8	0	0	0	107.4	L364 A365 F425 M464 I465 F476 Y480	L364-I383 HydrophobicContact CB-CG2 4.46Å; L364-I383 HydrophobicContact CD2-CG2 4.32Å; L364-I383 PolarHBondContact N-O 3Å; A365-I383 HydrophobicContact CB-CB 4.36Å; A365-I383 HydrophobicContact CB-CD1 4.31Å; A365-I383 HydrophobicContact CB-CG1 4.47Å; A365-I383 PolarHBondContact O-N 2.83Å; I383-F425 HydrophobicContact CD1-CE2 4.48Å; I383-F425 HydrophobicContact CG1-CE2 4.34Å; I383-F425 HydrophobicContact CG2-CD2 4.27Å; I383-F425 HydrophobicContact CG2-CE2 4.16Å; I383-M464 HydrophobicContact CD1-CE 3.96Å; I383-M464 HydrophobicContact CD1-CG 4.24Å; I383-M464 HydrophobicContact CD1-SD 4.3Å; I383-M464 HydrophobicContact CG1-CE 3.67Å; I383-M464 HydrophobicContact CG1-SD 4.12Å; I383-I465 HydrophobicContact CD1-CG1 3.95Å; I383-F476 HydrophobicContact CD1-CD2 4.41Å; I383-F476 HydrophobicContact CD1-CE2 4.08Å; I383-F476 HydrophobicContact CG2-CD2 4.08Å; I383-F476 HydrophobicContact CG2-CE2 4.12Å; I383-Y480 HydrophobicContact CG2-CD2 4.47Å; I383-Y480 HydrophobicContact CG2-CE2 3.9Å
384	P	91.7	Very high	83.1	Confident	4 Å²	4	47.6 Å²	47.6	3%	0.026	25%	0.248	C	C	.	.			trans	-68.6	160.2	173.8	21.2	-20.7	0	0	0	111.3	F353 F425 F427 Y480	F353-P384 HydrophobicContact CZ-CB 4.13Å; P384-F425 WeakPolarHBondContact CD-O 3.05Å; P384-F427 HydrophobicContact CG-CD2 3.87Å; P384-F427 HydrophobicContact CG-CE2 3.95Å; P384-Y480 WeakPolarHBondContact CG-OH 3.4Å; P384-Y480 PolarHBondContact O-OH 3.08Å
385	K	90.7	Very high	82	Confident	75 Å²	75	44.5 Å²	44.5	33%	0.326	23%	0.23	S	C	.	.	S	Bend	trans	-72.2	-34.5	-180	-80.6	173.5	177.8	171.2	0	113.9	D361 D362 L364	D361-K385 IonicContact OD1-NZ 3.89Å; D361-K385 PolarHBondContact OD1-NZ 2.96Å; D362-K385 WeakPolarHBondContact O-CD 3.27Å; D362-K385 WeakPolarHBondContact O-CE 3.07Å; D362-K385 WeakPolarHBondContact O-CG 3.48Å; L364-K385 HydrophobicContact CB-CG 4.22Å
386	H	87.5	Confident	80.6	Confident	112 Å²	112	51.3 Å²	51.3	52%	0.519	27%	0.266	S	S	.	.	S	Bend	trans	-130.3	146.4	-178.4	-62.4	-62.2	0	0	0	107.2	E479 Y480	H386-E479 IonicContact CE1-OE2 2.68Å; H386-E479 IonicContact CG-OE2 2.57Å; H386-E479 IonicContact ND1-OE2 2.74Å; H386-E479 PolarHBondContact ND1-OE2 2.99Å; H386-Y480 VanDerWaalsContact C-OH 3.3Å; H386-Y480 PolarHBondContact O-OH 3.29Å
387	P	85.5	Confident	79.1	Confident	43 Å²	43	52.1 Å²	52.1	28%	0.279	27%	0.273	S	S	.	.			trans	-65.4	149.7	173	29.6	-35.5	0	0	0	110.1	I391 Y480	P387-I391 HydrophobicContact CB-CB 4.11Å; P387-I391 HydrophobicContact CB-CD1 3.65Å; P387-I391 HydrophobicContact CB-CG1 4.47Å; P387-I391 HydrophobicContact CB-CG2 3.93Å; P387-Y480 HydrophobicContact CB-CE1 4.02Å
388	P	78.2	Confident	77.3	Confident	43 Å²	43	59 Å²	59	28%	0.279	31%	0.305	S	S	.	.			trans	-62.3	146.3	162.3	29.1	-33.4	0	0	0	109.2	N390 I391	P388-N390 PolarHBondContact O-N 3.19Å; P388-N390 VanDerWaalsContact O-N 3.1Å; P388-I391 HydrophobicContact CG-CB 4.29Å; P388-I391 WeakPolarHBondContact O-CB 3.46Å; P388-I391 PolarHBondContact O-N 3.23Å
389	T	76.7	Confident	75.7	Confident	137 Å²	137	58.8 Å²	58.8	84%	0.84	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-39.2	-175.5	41.8	0	0	0	0	113.4	I391	T389-I391 VanDerWaalsContact C-N 3.27Å; T389-I391 PolarHBondContact O-N 3.04Å
390	N	73.3	Confident	74.5	Confident	75 Å²	75	63.1 Å²	63.1	40%	0.401	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	20.8	-174.3	-55.5	46.9	0	0	0	112.1	P388 F392 Q393 M394	P388-N390 PolarHBondContact O-N 3.19Å; P388-N390 VanDerWaalsContact O-N 3.1Å; N390-F392 VanDerWaalsContact C-N 3.29Å; N390-F392 PolarHBondContact O-N 2.97Å; N390-F392 VanDerWaalsContact O-N 3.15Å; N390-Q393 HydrophobicContact CB-CB 4.19Å; N390-Q393 VanDerWaalsContact CG-OE1 3.23Å; N390-Q393 PolarHBondContact ND2-OE1 3.47Å; N390-Q393 PolarHBondContact O-N 2.8Å; N390-M394 HydrophobicContact CB-CG 4.4Å; N390-M394 WeakPolarHBondContact O-CG 3.14Å; N390-M394 PolarHBondContact O-N 2.64Å
391	I	75.7	Confident	73.9	Confident	15 Å²	15	63.8 Å²	63.8	8%	0.077	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-40.4	-170.1	-178.2	168.5	0	0	0	114.1	P387 P388 T389 F425 Y480	P387-I391 HydrophobicContact CB-CB 4.11Å; P387-I391 HydrophobicContact CB-CD1 3.65Å; P387-I391 HydrophobicContact CB-CG1 4.47Å; P387-I391 HydrophobicContact CB-CG2 3.93Å; P388-I391 HydrophobicContact CG-CB 4.29Å; P388-I391 WeakPolarHBondContact O-CB 3.46Å; P388-I391 PolarHBondContact O-N 3.23Å; T389-I391 VanDerWaalsContact C-N 3.27Å; T389-I391 PolarHBondContact O-N 3.04Å; I391-F425 HydrophobicContact CD1-CB 3.91Å; I391-Y480 HydrophobicContact CD1-CD1 4.31Å; I391-Y480 HydrophobicContact CD1-CE1 4.29Å
392	F	72	Confident	73.5	Confident	86 Å²	86	64 Å²	64	38%	0.377	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-27.8	178.6	-57.2	-63	0	0	0	113	N390 M394 H395 V482 L486	N390-F392 VanDerWaalsContact C-N 3.29Å; N390-F392 PolarHBondContact O-N 2.97Å; N390-F392 VanDerWaalsContact O-N 3.15Å; F392-M394 PolarHBondContact O-N 2.78Å; F392-H395 AromaticContact CD1-NE2 3.63Å; F392-H395 WeakPolarHBondContact O-CB 3.23Å; F392-H395 PolarHBondContact O-CD2 3.02Å; F392-H395 PolarHBondContact O-N 3.02Å; F392-V482 HydrophobicContact CE1-CB 4.49Å; F392-V482 HydrophobicContact CE1-CG1 3.98Å; F392-V482 HydrophobicContact CZ-CB 3.98Å; F392-V482 HydrophobicContact CZ-CG1 3.85Å; F392-L486 HydrophobicContact CE1-CD1 4.39Å
393	Q	68.6	Low	73.2	Confident	131 Å²	131	65.6 Å²	65.6	61%	0.612	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-60.1	-25.1	168.1	-69.9	174.1	-24.9	0	0	112.2	N390 H395	N390-Q393 HydrophobicContact CB-CB 4.19Å; N390-Q393 VanDerWaalsContact CG-OE1 3.23Å; N390-Q393 PolarHBondContact ND2-OE1 3.47Å; N390-Q393 PolarHBondContact O-N 2.8Å; Q393-H395 PolarHBondContact O-N 3.07Å
394	M	54.1	Low	72.9	Confident	52 Å²	52	65.9 Å²	65.9	26%	0.256	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-79.4	16.6	172.9	-63	-165.9	81.8	0	0	114.6	N390 F392 N396 T397 R401	N390-M394 HydrophobicContact CB-CG 4.4Å; N390-M394 WeakPolarHBondContact O-CG 3.14Å; N390-M394 PolarHBondContact O-N 2.64Å; F392-M394 PolarHBondContact O-N 2.78Å; M394-N396 PolarHBondContact O-N 2.83Å; M394-T397 WeakPolarHBondContact CA-OG1 2.8Å; M394-T397 WeakPolarHBondContact CG-OG1 3.45Å; M394-R401 PolarHBondContact SD-NH2 2.66Å
395	H	53.9	Low	72.7	Confident	69 Å²	69	66 Å²	66	32%	0.319	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-64.7	-27.7	167.6	-85.1	-65.9	0	0	0	112.8	F392 Q393	F392-H395 AromaticContact CD1-NE2 3.63Å; F392-H395 WeakPolarHBondContact O-CB 3.23Å; F392-H395 PolarHBondContact O-CD2 3.02Å; F392-H395 PolarHBondContact O-N 3.02Å; Q393-H395 PolarHBondContact O-N 3.07Å
396	N	49.5	Very low	72.4	Confident	151 Å²	151	62.9 Å²	62.9	81%	0.807	33%	0.326	S	S	*	.	S	Bend	trans	-112.2	8.2	-176.3	-58.6	22.7	0	0	0	113.1	M394	M394-N396 PolarHBondContact O-N 2.83Å
397	T	54.4	Low	72.1	Confident	74 Å²	74	61.1 Å²	61.1	45%	0.454	32%	0.315	S	S	.	.	S	Bend	trans	-130.2	131.2	-177.3	58.8	0	0	0	0	112.8	M394 S399	M394-T397 WeakPolarHBondContact CA-OG1 2.8Å; M394-T397 WeakPolarHBondContact CG-OG1 3.45Å; T397-S399 PolarHBondContact O-N 3.34Å
398	H	53.3	Low	72.1	Confident	149 Å²	149	61 Å²	61	69%	0.69	31%	0.309	S	S	*	.			trans	-49.9	124.8	-175.7	-61.8	-54.5	0	0	0	112.7	D400 E416	H398-D400 PolarHBondContact O-N 3.12Å; H398-D400 VanDerWaalsContact O-N 3.17Å; H398-E416 IonicContact CE1-OE2 3.82Å; H398-E416 IonicContact CG-OE2 3.26Å; H398-E416 IonicContact ND1-OE2 2.58Å; H398-E416 PolarHBondContact ND1-OE2 2.78Å
399	S	57.6	Low	72.2	Confident	13 Å²	13	59.4 Å²	59.4	9%	0.091	30%	0.298	C	S	.	.			trans	-93	87.8	-162.7	58	0	0	0	0	113.6	T397 R401 A415 E416	T397-S399 PolarHBondContact O-N 3.34Å; S399-R401 PolarHBondContact O-N 3.46Å; S399-A415 WeakPolarHBondContact O-CB 3.39Å; S399-E416 PolarHBondContact N-OE1 2.87Å; S399-E416 PolarHBondContact OG-OE1 3.05Å; S399-E416 VanDerWaalsContact OG-OE1 3.14Å
400	D	68.6	Low	72.7	Confident	91 Å²	91	53.6 Å²	53.6	49%	0.487	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.4	-0.7	-178.5	-131.1	53.3	0	0	0	118.9	H398 K403 D413	H398-D400 PolarHBondContact O-N 3.12Å; H398-D400 VanDerWaalsContact O-N 3.17Å; D400-K403 VanDerWaalsContact CG-NZ 3.27Å; D400-K403 PolarHBondContact O-NZ 3.1Å; D400-K403 IonicContact OD1-NZ 3.42Å; D400-K403 IonicContact OD2-NZ 2.95Å; D400-K403 PolarHBondContact OD2-NZ 3.38Å; D400-D413 WeakPolarHBondContact OD1-CB 3.37Å
401	R	79.9	Confident	73.1	Confident	15 Å²	15	50.4 Å²	50.4	6%	0.057	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-17.8	-164.2	-57.2	170.9	-174.4	175.3	7.5	113.5	Y356 M394 S399 A424 F427 G428	Y356-R401 WeakPolarHBondContact CE1-O 3.06Å; Y356-R401 VanDerWaalsContact OH-C 3.25Å; Y356-R401 PolarHBondContact OH-O 2.79Å; M394-R401 PolarHBondContact SD-NH2 2.66Å; S399-R401 PolarHBondContact O-N 3.46Å; R401-A424 WeakPolarHBondContact CD-O 3.46Å; R401-A424 PolarHBondContact NH1-O 2.77Å; R401-F427 HydrophobicContact CB-CD1 4.18Å; R401-F427 HydrophobicContact CB-CE1 4.23Å; R401-F427 HydrophobicContact CB-CG 4.34Å; R401-F427 HydrophobicContact CB-CZ 4.43Å; R401-F427 HydrophobicContact CG-CD1 4.41Å; R401-F427 HydrophobicContact CG-CE1 3.96Å; R401-F427 HydrophobicContact CG-CE2 4.23Å; R401-F427 HydrophobicContact CG-CZ 3.86Å; R401-F427 WeakPolarHBondContact O-CA 3.46Å; R401-G428 PolarHBondContact O-N 3.43Å
402	I	86.5	Confident	73.3	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	96.7	174.9	-57.3	-179.1	0	0	0	110.6	A415 L418 L419 V426 G428 V430	I402-A415 HydrophobicContact CB-CB 4.09Å; I402-L418 HydrophobicContact CG2-CD1 3.95Å; I402-L419 HydrophobicContact CD1-CB 4.3Å; I402-L419 HydrophobicContact CD1-CD1 3.41Å; I402-L419 VanDerWaalsContact CD1-CD1 3.41Å; I402-L419 HydrophobicContact CD1-CG 3.68Å; I402-V426 WeakPolarHBondContact CG1-O 3.42Å; I402-G428 WeakPolarHBondContact CA-O 3.34Å; I402-V430 HydrophobicContact CG2-CG2 4.02Å
403	K	86.3	Confident	73.2	Confident	38 Å²	38	48.6 Å²	48.6	17%	0.165	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124	-179.7	-55	-142.7	178.4	-66.1	0	111	Y356 D400 Y405 Y410 D413 G428 V430	Y356-K403 HydrophobicContact CE2-CB 4.21Å; Y356-K403 HydrophobicContact CE2-CD 4.29Å; Y356-K403 HydrophobicContact CE2-CG 3.75Å; Y356-K403 VanDerWaalsContact OH-CG 3.28Å; Y356-K403 WeakPolarHBondContact OH-CG 3.37Å; Y356-K403 PolarHBondContact OH-N 3.1Å; Y356-K403 VanDerWaalsContact OH-N 3.1Å; D400-K403 VanDerWaalsContact CG-NZ 3.27Å; D400-K403 PolarHBondContact O-NZ 3.1Å; D400-K403 IonicContact OD1-NZ 3.42Å; D400-K403 IonicContact OD2-NZ 2.95Å; D400-K403 PolarHBondContact OD2-NZ 3.38Å; K403-Y405 HydrophobicContact CB-CE2 3.71Å; K403-Y405 WeakPolarHBondContact O-CD2 3.48Å; K403-Y410 HydrophobicContact CB-CD2 4.13Å; K403-Y410 HydrophobicContact CB-CE2 4.13Å; K403-Y410 HydrophobicContact CD-CD2 4.31Å; K403-Y410 HydrophobicContact CD-CE2 3.99Å; K403-Y410 HydrophobicContact CG-CE2 4.43Å; K403-D413 WeakPolarHBondContact CD-OD1 3.4Å; K403-D413 WeakPolarHBondContact CE-OD1 3.1Å; K403-D413 WeakPolarHBondContact CG-OD1 3.35Å; K403-D413 IonicContact NZ-OD1 3.72Å; K403-D413 PolarHBondContact NZ-OD1 3.3Å; K403-D413 IonicContact NZ-OD2 2.64Å; K403-D413 PolarHBondContact NZ-OD2 3.35Å; K403-G428 PolarHBondContact N-O 3.15Å; K403-V430 PolarHBondContact O-N 3.38Å
404	L	86.8	Confident	72.9	Confident	7 Å²	7	44.5 Å²	44.5	4%	0.037	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133.7	175.7	-178.6	68.4	0	0	0	111.2	I411 S412 L418 V430 L435 L444	L404-I411 PolarHBondContact O-N 2.82Å; L404-S412 PolarHBondContact N-O 3.46Å; L404-L418 HydrophobicContact CB-CD1 4.47Å; L404-V430 HydrophobicContact CD1-CB 4.11Å; L404-V430 HydrophobicContact CD1-CG1 4.04Å; L404-L435 HydrophobicContact CD1-CD1 4.18Å; L404-L435 HydrophobicContact CD2-CD1 4.47Å; L404-L444 HydrophobicContact CD2-CD1 3.58Å; L404-L444 HydrophobicContact CD2-CG 4.11Å
405	Y	87	Confident	73.1	Confident	6 Å²	6	42.2 Å²	42.2	2%	0.024	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.2	174.6	-67.1	-100.7	0	0	0	111.1	F273 K403 V409 I429 V430 D431 S432	F273-Y405 HydrophobicContact CD2-CD1 4.48Å; F273-Y405 AromaticContact CD2-CE1 3.62Å; F273-Y405 HydrophobicContact CD2-CE1 3.62Å; F273-Y405 AromaticContact CD2-CZ 3.8Å; F273-Y405 HydrophobicContact CE2-CE1 4.16Å; F273-Y405 AromaticContact CE2-CZ 3.85Å; F273-Y405 WeakPolarHBondContact CE2-OH 3.27Å; K403-Y405 HydrophobicContact CB-CE2 3.71Å; K403-Y405 WeakPolarHBondContact O-CD2 3.48Å; Y405-V409 CarbonylContact C-O 3.58Å; Y405-V409 VanDerWaalsContact CA-O 3.24Å; Y405-V409 WeakPolarHBondContact CA-O 3.21Å; Y405-I429 HydrophobicContact CD2-CG2 3.69Å; Y405-I429 HydrophobicContact CE2-CG1 4.43Å; Y405-I429 HydrophobicContact CE2-CG2 3.91Å; Y405-V430 PolarHBondContact N-O 3.41Å; Y405-D431 WeakPolarHBondContact O-CA 3.32Å; Y405-S432 PolarHBondContact O-N 3.37Å; Y405-S432 VanDerWaalsContact O-N 3.11Å
406	V	83.9	Confident	73.7	Confident	10 Å²	10	42.1 Å²	42.1	6%	0.061	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.9	163.9	174.7	0	0	0	0	108.6	R408 V409 I411 S432 L435 L437	V406-R408 VanDerWaalsContact C-N 3.25Å; V406-R408 PolarHBondContact O-N 3.1Å; V406-V409 PolarHBondContact N-O 2.76Å; V406-V409 PolarHBondContact O-N 3.43Å; V406-I411 HydrophobicContact CB-CD1 4.23Å; V406-I411 HydrophobicContact CB-CG1 4.02Å; V406-I411 HydrophobicContact CG2-CG1 3.99Å; V406-S432 CarbonylContact C-O 3.56Å; V406-S432 VanDerWaalsContact CA-O 3.3Å; V406-S432 WeakPolarHBondContact CA-O 3.27Å; V406-L435 HydrophobicContact CG2-CB 3.93Å; V406-L435 HydrophobicContact CG2-CD1 4.09Å; V406-L437 HydrophobicContact CB-CD1 4.09Å; V406-L437 HydrophobicContact CB-CD2 4.31Å; V406-L437 HydrophobicContact CB-CG 4.42Å; V406-L437 HydrophobicContact CG1-CD1 3.98Å; V406-L437 HydrophobicContact CG1-CG 4.3Å; V406-L437 HydrophobicContact CG2-CD2 3.92Å; V406-L437 HydrophobicContact CG2-CG 4.39Å
407	R	81.9	Confident	74.8	Confident	74 Å²	74	38 Å²	38	28%	0.279	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	42	-174.3	-58.2	-178.2	-171.5	160.3	14.5	112.9	L190 V409 D431 S432 D433	L190-R407 PolarHBondContact O-NH1 3.08Å; R407-V409 PolarHBondContact O-N 3.4Å; R407-D431 PolarHBondContact N-OD1 2.99Å; R407-S432 PolarHBondContact N-O 2.68Å; R407-D433 HydrophobicContact CG-CB 4.43Å; R407-D433 PolarHBondContact NE-O 2.58Å; R407-D433 PolarHBondContact NH2-O 2.94Å
408	R	84.9	Confident	76.1	Confident	41 Å²	41	34.5 Å²	34.5	16%	0.155	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	7.7	-177.7	-34	149.2	-166	-78.3	1.5	115.1	D189 F273 P335 V406 D431	D189-R408 IonicContact OD1-CZ 3.66Å; D189-R408 IonicContact OD1-NE 2.77Å; D189-R408 PolarHBondContact OD1-NE 3.46Å; D189-R408 IonicContact OD1-NH2 3.34Å; D189-R408 PolarHBondContact OD1-NH2 2.67Å; F273-R408 HydrophobicContact CB-CB 4.29Å; P335-R408 VanDerWaalsContact CG-NH1 3.32Å; V406-R408 VanDerWaalsContact C-N 3.25Å; V406-R408 PolarHBondContact O-N 3.1Å; R408-D431 PolarHBondContact N-OD1 2.85Å
409	V	81.7	Confident	77.7	Confident	9 Å²	9	27.8 Å²	27.8	6%	0.055	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.1	168.9	-177	0	0	0	0	108	R102 I191 Y405 V406 R407	R102-V409 HydrophobicContact CG-CG1 3.97Å; I191-V409 HydrophobicContact CD1-CG2 3.72Å; I191-V409 HydrophobicContact CG1-CG2 4.14Å; I191-V409 HydrophobicContact CG2-CG2 4.11Å; Y405-V409 CarbonylContact C-O 3.58Å; Y405-V409 VanDerWaalsContact CA-O 3.24Å; Y405-V409 WeakPolarHBondContact CA-O 3.21Å; V406-V409 PolarHBondContact N-O 2.76Å; V406-V409 PolarHBondContact O-N 3.43Å; R407-V409 PolarHBondContact O-N 3.4Å
410	Y	86.6	Confident	79.1	Confident	16 Å²	16	28.2 Å²	28.2	6%	0.063	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	139.8	177.9	164.2	-99.7	0	0	0	110.8	K269 Y270 K403 S412 D413	K269-Y410 HydrophobicContact CG-CD1 4.41Å; K269-Y410 HydrophobicContact CG-CE1 4.27Å; K269-Y410 WeakPolarHBondContact O-CB 3.3Å; Y270-Y410 AromaticContact CD1-CD1 3.68Å; Y270-Y410 HydrophobicContact CD1-CD1 3.68Å; Y270-Y410 HydrophobicContact CD1-CE1 4.26Å; Y270-Y410 AromaticContact CE1-CD1 3.96Å; Y270-Y410 HydrophobicContact CE1-CD1 3.96Å; Y270-Y410 HydrophobicContact CE1-CE1 4.06Å; K403-Y410 HydrophobicContact CB-CD2 4.13Å; K403-Y410 HydrophobicContact CB-CE2 4.13Å; K403-Y410 HydrophobicContact CD-CD2 4.31Å; K403-Y410 HydrophobicContact CD-CE2 3.99Å; K403-Y410 HydrophobicContact CG-CE2 4.43Å; Y410-S412 VanDerWaalsContact CE2-C 3.5Å; Y410-S412 WeakPolarHBondContact CE2-O 3.41Å; Y410-D413 WeakPolarHBondContact CE2-OD1 3.31Å; Y410-D413 PolarHBondContact OH-N 3.09Å; Y410-D413 PolarHBondContact OH-OD1 3.39Å; Y410-D413 PolarHBondContact OH-OD2 3.33Å
411	I	82.8	Confident	79.9	Confident	8 Å²	8	30.3 Å²	30.3	4%	0.041	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-64.1	-174.9	-54.7	-59.9	0	0	0	111.2	L404 V406 L437	L404-I411 PolarHBondContact O-N 2.82Å; V406-I411 HydrophobicContact CB-CD1 4.23Å; V406-I411 HydrophobicContact CB-CG1 4.02Å; V406-I411 HydrophobicContact CG2-CG1 3.99Å; I411-L437 HydrophobicContact CD1-CD1 3.75Å; I411-L437 HydrophobicContact CD1-CD2 3.69Å; I411-L437 HydrophobicContact CD1-CG 4.4Å; I411-L437 HydrophobicContact CG1-CD2 3.87Å; I411-L437 HydrophobicContact CG2-CD2 3.84Å
412	S	78	Confident	80.3	Confident	37 Å²	37	29.7 Å²	29.7	26%	0.259	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	160.1	-175.3	-177.8	0	0	0	0	111.5	L404 Y410 A414	L404-S412 PolarHBondContact N-O 3.46Å; Y410-S412 VanDerWaalsContact CE2-C 3.5Å; Y410-S412 WeakPolarHBondContact CE2-O 3.41Å; S412-A414 PolarHBondContact OG-N 3.13Å
413	D	71.4	Confident	80.5	Confident	25 Å²	25	29.5 Å²	29.5	13%	0.134	15%	0.149	C	C	.	.			trans	-103.3	-3	174.9	-78.2	-32.5	0	0	0	114.3	D400 K403 Y410 A415	D400-D413 WeakPolarHBondContact OD1-CB 3.37Å; K403-D413 WeakPolarHBondContact CD-OD1 3.4Å; K403-D413 WeakPolarHBondContact CE-OD1 3.1Å; K403-D413 WeakPolarHBondContact CG-OD1 3.35Å; K403-D413 IonicContact NZ-OD1 3.72Å; K403-D413 PolarHBondContact NZ-OD1 3.3Å; K403-D413 IonicContact NZ-OD2 2.64Å; K403-D413 PolarHBondContact NZ-OD2 3.35Å; Y410-D413 WeakPolarHBondContact CE2-OD1 3.31Å; Y410-D413 PolarHBondContact OH-N 3.09Å; Y410-D413 PolarHBondContact OH-OD1 3.39Å; Y410-D413 PolarHBondContact OH-OD2 3.33Å; D413-A415 PolarHBondContact O-N 2.77Å
414	A	62.1	Low	80.4	Confident	45 Å²	45	28.6 Å²	28.6	37%	0.372	15%	0.148	S	C	.	.			trans	-58	100.7	179.5	0	0	0	0	0	111.4	S412	S412-A414 PolarHBondContact OG-N 3.13Å
415	A	58.3	Low	80.4	Confident	4 Å²	4	28.2 Å²	28.2	3%	0.033	15%	0.146	C	C	.	.			trans	-101	-17.1	-172.7	0	0	0	0	0	113.4	S399 I402 D413 D417 L418 L419	S399-A415 WeakPolarHBondContact O-CB 3.39Å; I402-A415 HydrophobicContact CB-CB 4.09Å; D413-A415 PolarHBondContact O-N 2.77Å; A415-D417 PolarHBondContact O-N 2.85Å; A415-L418 CarbonylContact O-C 3.43Å; A415-L418 WeakPolarHBondContact O-CA 3.21Å; A415-L418 PolarHBondContact O-N 3.25Å; A415-L419 PolarHBondContact O-N 3.39Å
416	E	65.8	Low	80.6	Confident	67 Å²	67	28 Å²	28	31%	0.313	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-38.6	174.1	-68.7	84.5	-103.7	0	0	112	H398 S399 L418 L419 K454	H398-E416 IonicContact CE1-OE2 3.82Å; H398-E416 IonicContact CG-OE2 3.26Å; H398-E416 IonicContact ND1-OE2 2.58Å; H398-E416 PolarHBondContact ND1-OE2 2.78Å; S399-E416 PolarHBondContact N-OE1 2.87Å; S399-E416 PolarHBondContact OG-OE1 3.05Å; S399-E416 VanDerWaalsContact OG-OE1 3.14Å; E416-L418 PolarHBondContact O-N 2.72Å; E416-L419 VanDerWaalsContact O-O 3.1Å; E416-K454 PolarHBondContact O-NZ 2.95Å
417	D	73	Confident	80.8	Confident	65 Å²	65	28.7 Å²	28.7	35%	0.348	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-15.7	173.2	-88.5	-34	0	0	0	114.8	A415 L450 K454	A415-D417 PolarHBondContact O-N 2.85Å; D417-L450 HydrophobicContact CB-CB 4.39Å; D417-L450 HydrophobicContact CB-CD1 4.06Å; D417-L450 HydrophobicContact CB-CD2 4.33Å; D417-K454 WeakPolarHBondContact O-CB 3.38Å; D417-K454 VanDerWaalsContact O-CD 3.26Å; D417-K454 WeakPolarHBondContact O-CD 3.11Å
418	L	82.6	Confident	81.1	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-32.6	-173.2	-67	176.3	0	0	0	113.2	I402 L404 A415 E416 L450 I453 K454 L457	I402-L418 HydrophobicContact CG2-CD1 3.95Å; L404-L418 HydrophobicContact CB-CD1 4.47Å; A415-L418 CarbonylContact O-C 3.43Å; A415-L418 WeakPolarHBondContact O-CA 3.21Å; A415-L418 PolarHBondContact O-N 3.25Å; E416-L418 PolarHBondContact O-N 2.72Å; L418-L450 HydrophobicContact CD2-CD2 3.58Å; L418-L450 HydrophobicContact CG-CD2 4.3Å; L418-I453 HydrophobicContact CD2-CB 4.32Å; L418-I453 HydrophobicContact CD2-CG2 3.71Å; L418-K454 WeakPolarHBondContact O-CA 3.23Å; L418-L457 HydrophobicContact CB-CD1 4.2Å
419	L	86.7	Confident	81.4	Confident	7 Å²	7	23.4 Å²	23.4	4%	0.037	13%	0.128	C	C	.	.	S	Bend	trans	-141.5	149.8	170.5	-74.1	-172.7	0	0	0	111.7	I402 A415 E416 L423 V426 L457 V458 V461	I402-L419 HydrophobicContact CD1-CB 4.3Å; I402-L419 HydrophobicContact CD1-CD1 3.41Å; I402-L419 VanDerWaalsContact CD1-CD1 3.41Å; I402-L419 HydrophobicContact CD1-CG 3.68Å; A415-L419 PolarHBondContact O-N 3.39Å; E416-L419 VanDerWaalsContact O-O 3.1Å; L419-L423 HydrophobicContact CB-CB 4.25Å; L419-L423 HydrophobicContact CD1-CB 3.96Å; L419-L423 HydrophobicContact CD2-CD1 4.15Å; L419-V426 HydrophobicContact CD1-CB 3.8Å; L419-V426 HydrophobicContact CD1-CG1 4.09Å; L419-V426 HydrophobicContact CD1-CG2 4.28Å; L419-L457 HydrophobicContact CD2-CB 3.7Å; L419-V458 HydrophobicContact CD2-CG2 3.68Å; L419-V461 HydrophobicContact CD1-CG2 4.37Å; L419-V461 HydrophobicContact CD2-CG2 4.48Å
420	P	86.9	Confident	81.8	Confident	23 Å²	23	23 Å²	23	15%	0.149	13%	0.126	C	C	.	.			trans	-62.3	155.8	170.3	-21.2	33.6	0	0	0	113.5	Y422 L423 V458	P420-Y422 VanDerWaalsContact C-N 3.31Å; P420-Y422 HydrophobicContact CB-CD1 3.64Å; P420-Y422 HydrophobicContact CB-CE1 3.68Å; P420-Y422 HydrophobicContact CG-CD1 4.39Å; P420-Y422 HydrophobicContact CG-CE1 3.91Å; P420-Y422 PolarHBondContact O-N 3.12Å; P420-L423 PolarHBondContact O-N 3.38Å; P420-V458 VanDerWaalsContact CD-CG2 3.42Å; P420-V458 HydrophobicContact CG-CG2 3.96Å
421	K	84.9	Confident	82	Confident	135 Å²	135	22.2 Å²	22.2	59%	0.587	12%	0.123	S	C	*	.	G	3₁₀ helix	trans	-48.1	-48	-179.4	-66.9	-174.9	179.3	-177.6	0	112.1	L423 A424	K421-L423 PolarHBondContact O-N 3.2Å; K421-A424 VanDerWaalsContact O-CB 3.26Å; K421-A424 WeakPolarHBondContact O-CB 3.22Å; K421-A424 PolarHBondContact O-N 2.86Å
422	Y	88.6	Confident	82.2	Confident	1 Å²	1	21.9 Å²	21.9	0%	0.004	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-58.3	-23.9	179.4	85.5	-89.3	0	0	0	115.4	P420 F425 N483 G487 D490 D491 L498	P420-Y422 VanDerWaalsContact C-N 3.31Å; P420-Y422 HydrophobicContact CB-CD1 3.64Å; P420-Y422 HydrophobicContact CB-CE1 3.68Å; P420-Y422 HydrophobicContact CG-CD1 4.39Å; P420-Y422 HydrophobicContact CG-CE1 3.91Å; P420-Y422 PolarHBondContact O-N 3.12Å; Y422-F425 WeakPolarHBondContact O-CD1 3.23Å; Y422-F425 WeakPolarHBondContact O-CE1 3.38Å; Y422-N483 WeakPolarHBondContact CB-O 3.35Å; Y422-N483 VanDerWaalsContact CD2-O 3.31Å; Y422-N483 WeakPolarHBondContact CD2-O 3.22Å; Y422-N483 WeakPolarHBondContact O-CB 3.43Å; Y422-N483 PolarHBondContact O-ND2 3.19Å; Y422-G487 VanDerWaalsContact CD2-CA 3.46Å; Y422-D490 HydrophobicContact CD1-CB 4.16Å; Y422-D491 HydrophobicContact CE1-CB 3.71Å; Y422-D491 PolarHBondContact OH-OD2 2.77Å; Y422-L498 HydrophobicContact CE2-CD1 4.07Å; Y422-L498 HydrophobicContact CE2-CD2 4.31Å
423	L	90.1	Very high	82.3	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-95.9	8.5	177.4	-67.9	-175.7	0	0	0	114.6	L419 P420 K421 F425 V426 V458 V461	L419-L423 HydrophobicContact CB-CB 4.25Å; L419-L423 HydrophobicContact CD1-CB 3.96Å; L419-L423 HydrophobicContact CD2-CD1 4.15Å; P420-L423 PolarHBondContact O-N 3.38Å; K421-L423 PolarHBondContact O-N 3.2Å; L423-F425 HydrophobicContact CD2-CE1 3.87Å; L423-F425 HydrophobicContact CD2-CZ 3.9Å; L423-F425 PolarHBondContact O-N 3.16Å; L423-V426 WeakPolarHBondContact O-CB 2.98Å; L423-V426 WeakPolarHBondContact O-CG2 2.92Å; L423-V426 PolarHBondContact O-N 2.94Å; L423-V458 HydrophobicContact CD1-CB 4.48Å; L423-V458 HydrophobicContact CD1-CG1 4.18Å; L423-V458 HydrophobicContact CD1-CG2 4.21Å; L423-V461 HydrophobicContact CD1-CB 4.14Å; L423-V461 HydrophobicContact CD1-CG1 4.05Å; L423-V461 HydrophobicContact CD1-CG2 4.46Å; L423-V461 HydrophobicContact CD2-CG1 3.91Å
424	A	84	Confident	82.6	Confident	18 Å²	18	25.9 Å²	25.9	15%	0.149	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-19.6	-179.4	0	0	0	0	0	114	R401 K421 V426	R401-A424 WeakPolarHBondContact CD-O 3.46Å; R401-A424 PolarHBondContact NH1-O 2.77Å; K421-A424 VanDerWaalsContact O-CB 3.26Å; K421-A424 WeakPolarHBondContact O-CB 3.22Å; K421-A424 PolarHBondContact O-N 2.86Å; A424-V426 PolarHBondContact O-N 2.82Å
425	F	87.4	Confident	83.5	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-9.5	174.3	67.1	-93.8	0	0	0	114.7	I383 P384 I391 Y422 L423 F427 F476 Y480 N483	I383-F425 HydrophobicContact CD1-CE2 4.48Å; I383-F425 HydrophobicContact CG1-CE2 4.34Å; I383-F425 HydrophobicContact CG2-CD2 4.27Å; I383-F425 HydrophobicContact CG2-CE2 4.16Å; P384-F425 WeakPolarHBondContact CD-O 3.05Å; I391-F425 HydrophobicContact CD1-CB 3.91Å; Y422-F425 WeakPolarHBondContact O-CD1 3.23Å; Y422-F425 WeakPolarHBondContact O-CE1 3.38Å; L423-F425 HydrophobicContact CD2-CE1 3.87Å; L423-F425 HydrophobicContact CD2-CZ 3.9Å; L423-F425 PolarHBondContact O-N 3.16Å; F425-F427 WeakPolarHBondContact O-CD2 3.18Å; F425-F476 AromaticContact CE2-CE2 3.91Å; F425-F476 HydrophobicContact CE2-CE2 3.91Å; F425-F476 HydrophobicContact CE2-CZ 4.43Å; F425-F476 HydrophobicContact CZ-CE2 4.08Å; F425-F476 HydrophobicContact CZ-CZ 4.15Å; F425-Y480 HydrophobicContact CB-CD1 3.94Å; F425-Y480 HydrophobicContact CB-CE1 3.66Å; F425-Y480 HydrophobicContact CD1-CD1 4.09Å; F425-Y480 AromaticContact CD2-CD1 3.94Å; F425-Y480 HydrophobicContact CD2-CD1 3.94Å; F425-Y480 AromaticContact CD2-CE1 3.93Å; F425-Y480 HydrophobicContact CD2-CE1 3.93Å; F425-Y480 HydrophobicContact CD2-CG 4.36Å; F425-Y480 AromaticContact CG-CD1 3.72Å; F425-Y480 HydrophobicContact CG-CD1 3.72Å; F425-Y480 AromaticContact CG-CE1 3.84Å; F425-Y480 HydrophobicContact CG-CE1 3.84Å; F425-Y480 HydrophobicContact CG-CG 4.47Å; F425-N483 HydrophobicContact CD1-CB 3.98Å; F425-N483 HydrophobicContact CE1-CB 3.85Å
426	V	90.2	Very high	84.3	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.006	13%	0.134	C	C	.	.			trans	-82.6	116.2	-179.1	178.4	0	0	0	0	110.9	L381 I402 L419 L423 A424 V461	L381-V426 HydrophobicContact CB-CG1 3.93Å; L381-V426 HydrophobicContact CD1-CG1 4.49Å; L381-V426 HydrophobicContact CD2-CG1 4.44Å; I402-V426 WeakPolarHBondContact CG1-O 3.42Å; L419-V426 HydrophobicContact CD1-CB 3.8Å; L419-V426 HydrophobicContact CD1-CG1 4.09Å; L419-V426 HydrophobicContact CD1-CG2 4.28Å; L423-V426 WeakPolarHBondContact O-CB 2.98Å; L423-V426 WeakPolarHBondContact O-CG2 2.92Å; L423-V426 PolarHBondContact O-N 2.94Å; A424-V426 PolarHBondContact O-N 2.82Å; V426-V461 HydrophobicContact CG1-CG2 4.12Å; V426-V461 HydrophobicContact CG2-CG1 3.83Å; V426-V461 HydrophobicContact CG2-CG2 4.09Å
427	F	89.1	Confident	84.8	Confident	24 Å²	24	24.5 Å²	24.5	11%	0.105	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	135.7	173.4	-76.3	-108.7	0	0	0	109.7	F353 Y356 L381 Y382 P384 R401 F425	F353-F427 HydrophobicContact CE2-CB 4.34Å; Y356-F427 HydrophobicContact CD1-CB 4.5Å; Y356-F427 HydrophobicContact CD1-CD1 4.19Å; Y356-F427 HydrophobicContact CE1-CB 4.12Å; Y356-F427 AromaticContact CE1-CD1 3.9Å; Y356-F427 HydrophobicContact CE1-CD1 3.9Å; L381-F427 CarbonylContact C-O 3.56Å; Y382-F427 PolarHBondContact N-O 3.32Å; Y382-F427 PolarHBondContact O-N 3.37Å; Y382-F427 VanDerWaalsContact O-N 3.11Å; P384-F427 HydrophobicContact CG-CD2 3.87Å; P384-F427 HydrophobicContact CG-CE2 3.95Å; R401-F427 HydrophobicContact CB-CD1 4.18Å; R401-F427 HydrophobicContact CB-CE1 4.23Å; R401-F427 HydrophobicContact CB-CG 4.34Å; R401-F427 HydrophobicContact CB-CZ 4.43Å; R401-F427 HydrophobicContact CG-CD1 4.41Å; R401-F427 HydrophobicContact CG-CE1 3.96Å; R401-F427 HydrophobicContact CG-CE2 4.23Å; R401-F427 HydrophobicContact CG-CZ 3.86Å; R401-F427 WeakPolarHBondContact O-CA 3.46Å; F425-F427 WeakPolarHBondContact O-CD2 3.18Å
428	G	89.1	Confident	84.9	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	165.7	-173.9	0	0	0	0	0	116.8	Y356 I380 R401 I402 K403	Y356-G428 PolarHBondContact OH-O 3.44Å; I380-G428 CarbonylContact O-C 3.48Å; I380-G428 VanDerWaalsContact O-CA 3.26Å; I380-G428 WeakPolarHBondContact O-CA 3.26Å; R401-G428 PolarHBondContact O-N 3.43Å; I402-G428 WeakPolarHBondContact CA-O 3.34Å; K403-G428 PolarHBondContact N-O 3.15Å
429	I	90.5	Very high	84.6	Confident	4 Å²	4	26.3 Å²	26.3	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.8	172.2	-66.5	179.9	0	0	0	108.4	F273 W337 L352 Y356 S379 I380 Y405	F273-I429 HydrophobicContact CE2-CD1 4.34Å; F273-I429 HydrophobicContact CZ-CD1 4.09Å; W337-I429 HydrophobicContact CD2-CG2 4.18Å; W337-I429 HydrophobicContact CE3-CD1 4.36Å; W337-I429 HydrophobicContact CE3-CG2 4.04Å; W337-I429 HydrophobicContact CH2-CD1 4.02Å; W337-I429 HydrophobicContact CH2-CG2 3.86Å; W337-I429 HydrophobicContact CZ2-CG2 4.06Å; W337-I429 HydrophobicContact CZ3-CB 4.49Å; W337-I429 HydrophobicContact CZ3-CD1 3.6Å; W337-I429 HydrophobicContact CZ3-CG2 3.89Å; L352-I429 HydrophobicContact CD2-CD1 4.31Å; Y356-I429 HydrophobicContact CD2-CD1 4.08Å; Y356-I429 HydrophobicContact CD2-CG1 4.3Å; Y356-I429 HydrophobicContact CE2-CD1 4.11Å; Y356-I429 HydrophobicContact CE2-CG1 3.86Å; S379-I429 WeakPolarHBondContact CA-O 3.41Å; S379-I429 WeakPolarHBondContact CB-O 2.97Å; S379-I429 PolarHBondContact OG-O 2.79Å; I380-I429 PolarHBondContact N-O 2.91Å; I380-I429 VanDerWaalsContact N-O 3.13Å; I380-I429 PolarHBondContact O-N 2.94Å; Y405-I429 HydrophobicContact CD2-CG2 3.69Å; Y405-I429 HydrophobicContact CE2-CG1 4.43Å; Y405-I429 HydrophobicContact CE2-CG2 3.91Å
430	V	90.4	Very high	84.1	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122.2	175.8	-176.9	0	0	0	0	108.2	F377 I402 K403 L404 Y405 I453 L457	F377-V430 HydrophobicContact CB-CG1 4.47Å; F377-V430 HydrophobicContact CD2-CG1 4Å; F377-V430 HydrophobicContact CG-CG1 4.44Å; I402-V430 HydrophobicContact CG2-CG2 4.02Å; K403-V430 PolarHBondContact O-N 3.38Å; L404-V430 HydrophobicContact CD1-CB 4.11Å; L404-V430 HydrophobicContact CD1-CG1 4.04Å; Y405-V430 PolarHBondContact N-O 3.41Å; V430-I453 HydrophobicContact CG1-CG2 4.43Å; V430-L457 HydrophobicContact CG2-CD1 3.94Å; V430-L457 HydrophobicContact CG2-CD2 4.33Å
431	D	90.1	Very high	83.5	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	107.4	-178.3	179.8	40	0	0	0	111.5	W337 K338 S378 Y405 R407 R408	W337-D431 VanDerWaalsContact NE1-CG 3.3Å; W337-D431 PolarHBondContact NE1-OD2 3.12Å; K338-D431 WeakPolarHBondContact CE-OD2 3.16Å; K338-D431 IonicContact NZ-OD2 3.53Å; K338-D431 PolarHBondContact NZ-OD2 2.85Å; S378-D431 PolarHBondContact N-O 3.08Å; S378-D431 PolarHBondContact O-N 3.49Å; Y405-D431 WeakPolarHBondContact O-CA 3.32Å; R407-D431 PolarHBondContact N-OD1 2.99Å; R408-D431 PolarHBondContact N-OD1 2.85Å
432	S	86.7	Confident	83	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.007	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	153.8	173.6	-175.5	0	0	0	0	111.7	L376 Y405 V406 R407 E434 L435	L376-S432 WeakPolarHBondContact O-CB 3.47Å; L376-S432 PolarHBondContact O-OG 2.64Å; Y405-S432 PolarHBondContact O-N 3.37Å; Y405-S432 VanDerWaalsContact O-N 3.11Å; V406-S432 CarbonylContact C-O 3.56Å; V406-S432 VanDerWaalsContact CA-O 3.3Å; V406-S432 WeakPolarHBondContact CA-O 3.27Å; R407-S432 PolarHBondContact N-O 2.68Å; S432-E434 PolarHBondContact OG-N 3.03Å; S432-L435 PolarHBondContact OG-N 2.93Å
433	D	81.6	Confident	82.1	Confident	44 Å²	44	26.7 Å²	26.7	24%	0.235	14%	0.141	C	C	.	.	S	Bend	trans	-99.4	-10.2	172.4	-63.8	-44.6	0	0	0	113	K338 R407	K338-D433 WeakPolarHBondContact CE-OD1 3.25Å; K338-D433 IonicContact NZ-OD1 3.87Å; K338-D433 PolarHBondContact NZ-OD1 3.33Å; K338-D433 IonicContact NZ-OD2 2.77Å; K338-D433 PolarHBondContact NZ-OD2 2.76Å; R407-D433 HydrophobicContact CG-CB 4.43Å; R407-D433 PolarHBondContact NE-O 2.58Å; R407-D433 PolarHBondContact NH2-O 2.94Å
434	E	77.7	Confident	81	Confident	102 Å²	102	28.5 Å²	28.5	48%	0.477	15%	0.151	S	C	.	.	S	Bend	trans	-133.4	-4.4	-157.9	-75.5	161.4	-160.8	0	0	114.5	K187 L376 S432	K187-E434 IonicContact NZ-OE1 3.03Å; K187-E434 PolarHBondContact NZ-OE1 3.07Å; L376-E434 WeakPolarHBondContact CD1-OE2 3.04Å; L376-E434 WeakPolarHBondContact CG-OE2 3.43Å; S432-E434 PolarHBondContact OG-N 3.03Å
435	L	79.4	Confident	80.2	Confident	14 Å²	14	33.7 Å²	33.7	7%	0.073	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-59.6	136.4	174.4	-78.8	172.1	0	0	0	112.7	V375 L404 V406 S432 L437 L444 L449 I453	V375-L435 HydrophobicContact CG1-CD2 4.45Å; L404-L435 HydrophobicContact CD1-CD1 4.18Å; L404-L435 HydrophobicContact CD2-CD1 4.47Å; V406-L435 HydrophobicContact CG2-CB 3.93Å; V406-L435 HydrophobicContact CG2-CD1 4.09Å; S432-L435 PolarHBondContact OG-N 2.93Å; L435-L437 PolarHBondContact O-N 2.81Å; L435-L444 HydrophobicContact CB-CD2 3.98Å; L435-L444 HydrophobicContact CD1-CD1 4.44Å; L435-L444 HydrophobicContact CD1-CD2 4.11Å; L435-L444 HydrophobicContact CD2-CD2 4.47Å; L435-L444 HydrophobicContact CG-CD2 4.42Å; L435-L449 HydrophobicContact CD2-CB 4.08Å; L435-L449 HydrophobicContact CD2-CD1 3.95Å; L435-I453 HydrophobicContact CD1-CD1 4.26Å; L435-I453 HydrophobicContact CD2-CD1 4.27Å
436	P	75.1	Confident	79.1	Confident	44 Å²	44	39.6 Å²	39.6	29%	0.286	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-69.7	118.2	171	29.2	-33.1	0	0	0	110.5	L444 Q445 L449	P436-L444 WeakPolarHBondContact O-CD2 3.38Å; P436-Q445 WeakPolarHBondContact CG-O 3.2Å; P436-L449 HydrophobicContact CG-CD1 3.92Å
437	L	76	Confident	78	Confident	29 Å²	29	44.5 Å²	44.5	15%	0.152	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-96.9	140.9	173.1	-66.5	176.5	0	0	0	109.9	V406 I411 L435 R441 L444	V406-L437 HydrophobicContact CB-CD1 4.09Å; V406-L437 HydrophobicContact CB-CD2 4.31Å; V406-L437 HydrophobicContact CB-CG 4.42Å; V406-L437 HydrophobicContact CG1-CD1 3.98Å; V406-L437 HydrophobicContact CG1-CG 4.3Å; V406-L437 HydrophobicContact CG2-CD2 3.92Å; V406-L437 HydrophobicContact CG2-CG 4.39Å; I411-L437 HydrophobicContact CD1-CD1 3.75Å; I411-L437 HydrophobicContact CD1-CD2 3.69Å; I411-L437 HydrophobicContact CD1-CG 4.4Å; I411-L437 HydrophobicContact CG1-CD2 3.87Å; I411-L437 HydrophobicContact CG2-CD2 3.84Å; L435-L437 PolarHBondContact O-N 2.81Å; L437-R441 HydrophobicContact CB-CG 4.38Å; L437-R441 HydrophobicContact CD1-CB 4.32Å; L437-R441 HydrophobicContact CD1-CG 4.17Å; L437-L444 HydrophobicContact CD2-CD2 4.09Å
438	N	76.7	Confident	77.6	Confident	36 Å²	36	51.7 Å²	51.7	19%	0.193	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-61.4	171.4	165.5	81.6	-15.1	0	0	0	111.1	S440 R441 E442 M443	N438-S440 VanDerWaalsContact C-N 3.31Å; N438-S440 PolarHBondContact ND2-OG 3.38Å; N438-S440 PolarHBondContact O-N 2.96Å; N438-S440 PolarHBondContact OD1-N 2.99Å; N438-S440 PolarHBondContact OD1-OG 3.16Å; N438-S440 VanDerWaalsContact OD1-OG 3.09Å; N438-R441 PolarHBondContact O-N 2.89Å; N438-R441 WeakPolarHBondContact OD1-CA 3.35Å; N438-R441 PolarHBondContact OD1-N 2.91Å; N438-E442 PolarHBondContact OD1-N 3.18Å; N438-M443 PolarHBondContact N-O 2.94Å; N438-M443 PolarHBondContact OD1-N 2.92Å; N438-M443 PolarHBondContact OD1-O 3.04Å; N438-M443 VanDerWaalsContact OD1-O 3.1Å
439	V	75.4	Confident	77.3	Confident	67 Å²	67	53.4 Å²	53.4	41%	0.406	27%	0.266	S	S	.	.	S	Bend	trans	-70.1	-28.5	-176	-167.7	0	0	0	0	112.2	L93 V196 R441	L93-V439 HydrophobicContact CD1-CB 3.9Å; L93-V439 HydrophobicContact CD1-CG1 3.8Å; L93-V439 HydrophobicContact CD2-CG1 4.07Å; L93-V439 HydrophobicContact CG-CG1 4.29Å; V196-V439 HydrophobicContact CG2-CG1 4.07Å; V439-R441 VanDerWaalsContact C-N 3.28Å; V439-R441 PolarHBondContact O-N 3.48Å
440	S	76.6	Confident	76.9	Confident	13 Å²	13	53.8 Å²	53.8	9%	0.091	27%	0.268	C	S	.	.	S	Bend	trans	-69.3	-26.8	174.2	84.9	0	0	0	0	112.9	L93 R102 N438 E442	L93-S440 WeakPolarHBondContact O-CB 3.45Å; R102-S440 PolarHBondContact NH2-O 3.3Å; N438-S440 VanDerWaalsContact C-N 3.31Å; N438-S440 PolarHBondContact ND2-OG 3.38Å; N438-S440 PolarHBondContact O-N 2.96Å; N438-S440 PolarHBondContact OD1-N 2.99Å; N438-S440 PolarHBondContact OD1-OG 3.16Å; N438-S440 VanDerWaalsContact OD1-OG 3.09Å; S440-E442 VanDerWaalsContact C-N 3.34Å; S440-E442 WeakPolarHBondContact OG-CB 3.44Å; S440-E442 PolarHBondContact OG-N 2.76Å; S440-E442 PolarHBondContact OG-OE2 3.09Å
441	R	74	Confident	76.5	Confident	25 Å²	25	60.5 Å²	60.5	9%	0.094	30%	0.297	C	S	.	.	S	Bend	trans	61.9	36.6	-172.5	-55.5	171	155.6	-150.2	-19.7	113.4	R102 E103 I191 F194 L437 N438 V439	R102-R441 PolarHBondContact NH1-O 2.97Å; R102-R441 VanDerWaalsContact NH1-O 3.11Å; E103-R441 IonicContact OE2-NH1 2.7Å; I191-R441 PolarHBondContact O-NH1 3.14Å; I191-R441 PolarHBondContact O-NH2 2.86Å; F194-R441 HydrophobicContact CE2-CG 4.17Å; L437-R441 HydrophobicContact CB-CG 4.38Å; L437-R441 HydrophobicContact CD1-CB 4.32Å; L437-R441 HydrophobicContact CD1-CG 4.17Å; N438-R441 PolarHBondContact O-N 2.89Å; N438-R441 WeakPolarHBondContact OD1-CA 3.35Å; N438-R441 PolarHBondContact OD1-N 2.91Å; V439-R441 VanDerWaalsContact C-N 3.28Å; V439-R441 PolarHBondContact O-N 3.48Å
442	E	74	Confident	76.3	Confident	20 Å²	20	63.6 Å²	63.6	9%	0.093	31%	0.312	C	S	.	.	S	Bend	trans	-120.3	-34.4	178.7	-57.2	179.6	113.2	0	0	111.1	K95 N96 I99 N438 S440	K95-E442 PolarHBondContact N-OE2 3.49Å; N96-E442 WeakPolarHBondContact CB-OE1 3.2Å; N96-E442 PolarHBondContact ND2-OE1 3Å; I99-E442 WeakPolarHBondContact CG2-OE1 3.45Å; N438-E442 PolarHBondContact OD1-N 3.18Å; S440-E442 VanDerWaalsContact C-N 3.34Å; S440-E442 WeakPolarHBondContact OG-CB 3.44Å; S440-E442 PolarHBondContact OG-N 2.76Å; S440-E442 PolarHBondContact OG-OE2 3.09Å
443	M	69	Low	76.4	Confident	116 Å²	116	63.6 Å²	63.6	57%	0.571	31%	0.312	S	S	*	.	S	Bend	trans	-112.4	152.4	175.3	-59.5	165.7	76.1	0	0	110.4	N438	N438-M443 PolarHBondContact N-O 2.94Å; N438-M443 PolarHBondContact OD1-N 2.92Å; N438-M443 PolarHBondContact OD1-O 3.04Å; N438-M443 VanDerWaalsContact OD1-O 3.1Å
444	L	68.2	Low	76.7	Confident	39 Å²	39	64.5 Å²	64.5	20%	0.204	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-81	155.5	167.9	-76.4	170	0	0	0	110.1	L404 L435 P436 L437 L450	L404-L444 HydrophobicContact CD2-CD1 3.58Å; L404-L444 HydrophobicContact CD2-CG 4.11Å; L435-L444 HydrophobicContact CB-CD2 3.98Å; L435-L444 HydrophobicContact CD1-CD1 4.44Å; L435-L444 HydrophobicContact CD1-CD2 4.11Å; L435-L444 HydrophobicContact CD2-CD2 4.47Å; L435-L444 HydrophobicContact CG-CD2 4.42Å; P436-L444 WeakPolarHBondContact O-CD2 3.38Å; L437-L444 HydrophobicContact CD2-CD2 4.09Å; L444-L450 HydrophobicContact CD1-CD1 3.77Å; L444-L450 HydrophobicContact CD1-CD2 3.6Å; L444-L450 HydrophobicContact CD1-CG 3.75Å
445	Q	66.3	Low	77.3	Confident	127 Å²	127	67.7 Å²	67.7	59%	0.593	33%	0.327	S	S	*	.	S	Bend	trans	-110.6	128.7	167.6	-162.9	170.9	6.7	0	0	106.1	P436	P436-Q445 WeakPolarHBondContact CG-O 3.2Å
446	Q	65.4	Low	77.9	Confident	124 Å²	124	70.3 Å²	70.3	58%	0.579	34%	0.335	S	S	*	.			trans	86	113.4	-173.3	-50.9	171.1	-20.1	0	0	117.6
447	N	66.8	Low	78.6	Confident	105 Å²	105	68.2 Å²	68.2	56%	0.561	32%	0.322	S	S	*	.	H	α-helix	trans	-75.8	-24.9	175.7	-67.4	-11.4	0	0	0	114	L449 L450 K451	N447-L449 VanDerWaalsContact C-N 3.27Å; N447-L449 PolarHBondContact O-N 3.14Å; N447-L450 WeakPolarHBondContact O-CB 3.42Å; N447-L450 PolarHBondContact O-N 3.43Å; N447-L450 VanDerWaalsContact O-N 3.09Å; N447-K451 PolarHBondContact O-N 3.35Å
448	K	80.8	Confident	79.4	Confident	175 Å²	175	67.1 Å²	67.1	76%	0.761	32%	0.316	S	S	*	.	H	α-helix	trans	-60.9	-32.3	-176.8	-158.8	161.4	-171.9	161.5	0	112.9	M452	K448-M452 PolarHBondContact O-N 2.74Å
449	L	81.9	Confident	80.2	Confident	36 Å²	36	72.8 Å²	72.8	19%	0.188	34%	0.339	C	S	.	.	H	α-helix	trans	-74	-36.2	176.2	-55.7	-173.8	0	0	0	112.4	V375 L435 P436 N447 M452 I453	V375-L449 HydrophobicContact CG2-CB 4.41Å; V375-L449 HydrophobicContact CG2-CD2 4.04Å; L435-L449 HydrophobicContact CD2-CB 4.08Å; L435-L449 HydrophobicContact CD2-CD1 3.95Å; P436-L449 HydrophobicContact CG-CD1 3.92Å; N447-L449 VanDerWaalsContact C-N 3.27Å; N447-L449 PolarHBondContact O-N 3.14Å; L449-M452 HydrophobicContact CD2-CE 3.56Å; L449-M452 PolarHBondContact O-N 3.08Å; L449-I453 WeakPolarHBondContact O-CG1 3.19Å; L449-I453 PolarHBondContact O-N 2.86Å
450	L	82	Confident	81.1	Confident	11 Å²	11	72.3 Å²	72.3	6%	0.058	33%	0.332	C	S	.	.	H	α-helix	trans	-66	-49	174.4	-76.7	166.5	0	0	0	111.3	D417 L418 L444 N447 M452 I453 K454	D417-L450 HydrophobicContact CB-CB 4.39Å; D417-L450 HydrophobicContact CB-CD1 4.06Å; D417-L450 HydrophobicContact CB-CD2 4.33Å; L418-L450 HydrophobicContact CD2-CD2 3.58Å; L418-L450 HydrophobicContact CG-CD2 4.3Å; L444-L450 HydrophobicContact CD1-CD1 3.77Å; L444-L450 HydrophobicContact CD1-CD2 3.6Å; L444-L450 HydrophobicContact CD1-CG 3.75Å; N447-L450 WeakPolarHBondContact O-CB 3.42Å; N447-L450 PolarHBondContact O-N 3.43Å; N447-L450 VanDerWaalsContact O-N 3.09Å; L450-M452 PolarHBondContact O-N 2.9Å; L450-M452 VanDerWaalsContact O-N 3.14Å; L450-I453 CarbonylContact O-C 3.59Å; L450-I453 WeakPolarHBondContact O-CA 3.41Å; L450-I453 PolarHBondContact O-N 3.37Å; L450-K454 PolarHBondContact O-N 2.8Å
451	K	83.5	Confident	81.9	Confident	143 Å²	143	71.7 Å²	71.7	62%	0.622	33%	0.328	S	S	*	.	H	α-helix	trans	-53	-36.7	173.9	-67.8	-175.3	179.6	-176.4	0	111.5	N447 K455	N447-K451 PolarHBondContact O-N 3.35Å; K451-K455 WeakPolarHBondContact O-CG 3.13Å; K451-K455 PolarHBondContact O-N 3.46Å
452	M	86.1	Confident	82.9	Confident	64 Å²	64	71.2 Å²	71.2	32%	0.315	33%	0.327	S	S	.	.	H	α-helix	trans	-72.2	-36.3	172.5	-76.8	-163.9	-74.2	0	0	114.9	V375 K448 L449 L450 R456	V375-M452 HydrophobicContact CG2-CE 4.02Å; K448-M452 PolarHBondContact O-N 2.74Å; L449-M452 HydrophobicContact CD2-CE 3.56Å; L449-M452 PolarHBondContact O-N 3.08Å; L450-M452 PolarHBondContact O-N 2.9Å; L450-M452 VanDerWaalsContact O-N 3.14Å; M452-R456 WeakPolarHBondContact O-CD 2.95Å; M452-R456 VanDerWaalsContact O-CG 3.3Å; M452-R456 WeakPolarHBondContact O-CG 3.25Å; M452-R456 PolarHBondContact O-N 3.13Å
453	I	88.2	Confident	83.8	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-65.3	-49.4	173.1	-68.4	167	0	0	0	109.6	V375 F377 L418 V430 L435 L449 L450 K455 R456 L457	V375-I453 HydrophobicContact CG1-CD1 4.13Å; V375-I453 HydrophobicContact CG1-CG1 4.12Å; F377-I453 HydrophobicContact CD1-CG1 4.22Å; F377-I453 HydrophobicContact CE1-CG1 4.08Å; F377-I453 HydrophobicContact CZ-CG2 4.36Å; L418-I453 HydrophobicContact CD2-CB 4.32Å; L418-I453 HydrophobicContact CD2-CG2 3.71Å; V430-I453 HydrophobicContact CG1-CG2 4.43Å; L435-I453 HydrophobicContact CD1-CD1 4.26Å; L435-I453 HydrophobicContact CD2-CD1 4.27Å; L449-I453 WeakPolarHBondContact O-CG1 3.19Å; L449-I453 PolarHBondContact O-N 2.86Å; L450-I453 CarbonylContact O-C 3.59Å; L450-I453 WeakPolarHBondContact O-CA 3.41Å; L450-I453 PolarHBondContact O-N 3.37Å; I453-K455 PolarHBondContact O-N 2.72Å; I453-R456 CarbonylContact O-C 3.44Å; I453-R456 WeakPolarHBondContact O-CA 3.27Å; I453-R456 WeakPolarHBondContact O-CB 3.24Å; I453-R456 PolarHBondContact O-N 3.35Å; I453-L457 HydrophobicContact CG2-CD1 3.89Å; I453-L457 HydrophobicContact CG2-CD2 4.25Å; I453-L457 HydrophobicContact CG2-CG 3.81Å; I453-L457 WeakPolarHBondContact O-CG 3.45Å; I453-L457 PolarHBondContact O-N 2.75Å
454	K	88.6	Confident	85	Confident	64 Å²	64	68.3 Å²	68.3	28%	0.278	31%	0.312	S	S	.	.	H	α-helix	trans	-52.1	-53.2	177.7	-176.3	158.2	168.1	174.9	0	112.2	E416 D417 L418 L450 R456 L457 V458	E416-K454 PolarHBondContact O-NZ 2.95Å; D417-K454 WeakPolarHBondContact O-CB 3.38Å; D417-K454 VanDerWaalsContact O-CD 3.26Å; D417-K454 WeakPolarHBondContact O-CD 3.11Å; L418-K454 WeakPolarHBondContact O-CA 3.23Å; L450-K454 PolarHBondContact O-N 2.8Å; K454-R456 PolarHBondContact O-N 2.81Å; K454-R456 VanDerWaalsContact O-N 3.11Å; K454-L457 PolarHBondContact O-N 3.21Å; K454-L457 VanDerWaalsContact O-N 3.1Å; K454-V458 HydrophobicContact CG-CG2 4.49Å; K454-V458 WeakPolarHBondContact O-CG2 3.45Å; K454-V458 PolarHBondContact O-N 3.26Å
455	K	89.5	Confident	86.2	Confident	169 Å²	169	66.5 Å²	66.5	74%	0.735	30%	0.302	S	S	*	.	H	α-helix	trans	-56.4	-28.9	174.5	-72.3	-178.6	179.5	-176.5	0	113.3	K451 I453 K459	K451-K455 WeakPolarHBondContact O-CG 3.13Å; K451-K455 PolarHBondContact O-N 3.46Å; I453-K455 PolarHBondContact O-N 2.72Å; K455-K459 WeakPolarHBondContact O-CB 3.18Å
456	R	90.9	Very high	87.4	Confident	68 Å²	68	64 Å²	64	26%	0.257	30%	0.299	S	S	.	.	H	α-helix	trans	-84.4	-35.4	175.5	-70	169.6	172.7	-128.5	-6.5	113.5	E372 D374 F377 M452 I453 K454 K460	E372-R456 PolarHBondContact O-NH1 2.8Å; E372-R456 PolarHBondContact O-NH2 3.39Å; E372-R456 VanDerWaalsContact O-NH2 3.15Å; D374-R456 IonicContact OD2-NH2 2.69Å; F377-R456 HydrophobicContact CE1-CB 4.41Å; F377-R456 HydrophobicContact CZ-CB 3.97Å; M452-R456 WeakPolarHBondContact O-CD 2.95Å; M452-R456 VanDerWaalsContact O-CG 3.3Å; M452-R456 WeakPolarHBondContact O-CG 3.25Å; M452-R456 PolarHBondContact O-N 3.13Å; I453-R456 CarbonylContact O-C 3.44Å; I453-R456 WeakPolarHBondContact O-CA 3.27Å; I453-R456 WeakPolarHBondContact O-CB 3.24Å; I453-R456 PolarHBondContact O-N 3.35Å; K454-R456 PolarHBondContact O-N 2.81Å; K454-R456 VanDerWaalsContact O-N 3.11Å; R456-K460 WeakPolarHBondContact O-CG 3.49Å; R456-K460 PolarHBondContact O-N 2.89Å
457	L	91.5	Very high	88.8	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-70.3	-50.2	177.5	-61.6	-169.8	0	0	0	111.4	F369 F377 L418 L419 V430 I453 K454 K459 K460 V461	F369-L457 HydrophobicContact CE2-CD2 4.44Å; F369-L457 HydrophobicContact CZ-CD2 3.76Å; F377-L457 HydrophobicContact CE2-CD2 3.78Å; F377-L457 HydrophobicContact CZ-CD2 4.17Å; L418-L457 HydrophobicContact CB-CD1 4.2Å; L419-L457 HydrophobicContact CD2-CB 3.7Å; V430-L457 HydrophobicContact CG2-CD1 3.94Å; V430-L457 HydrophobicContact CG2-CD2 4.33Å; I453-L457 HydrophobicContact CG2-CD1 3.89Å; I453-L457 HydrophobicContact CG2-CD2 4.25Å; I453-L457 HydrophobicContact CG2-CG 3.81Å; I453-L457 WeakPolarHBondContact O-CG 3.45Å; I453-L457 PolarHBondContact O-N 2.75Å; K454-L457 PolarHBondContact O-N 3.21Å; K454-L457 VanDerWaalsContact O-N 3.1Å; L457-K459 VanDerWaalsContact C-N 3.32Å; L457-K459 PolarHBondContact O-N 3.01Å; L457-K460 CarbonylContact O-C 3.48Å; L457-K460 WeakPolarHBondContact O-CA 3.02Å; L457-K460 WeakPolarHBondContact O-CB 3.29Å; L457-K460 PolarHBondContact O-N 2.73Å; L457-V461 PolarHBondContact O-N 3.03Å
458	V	92.6	Very high	90	Very high	6 Å²	6	60.3 Å²	60.3	4%	0.036	28%	0.279	C	S	.	.	H	α-helix	trans	-54.4	-48.3	179.1	175	0	0	0	0	111	L419 P420 L423 K454 K460 V461 I462	L419-V458 HydrophobicContact CD2-CG2 3.68Å; P420-V458 VanDerWaalsContact CD-CG2 3.42Å; P420-V458 HydrophobicContact CG-CG2 3.96Å; L423-V458 HydrophobicContact CD1-CB 4.48Å; L423-V458 HydrophobicContact CD1-CG1 4.18Å; L423-V458 HydrophobicContact CD1-CG2 4.21Å; K454-V458 HydrophobicContact CG-CG2 4.49Å; K454-V458 WeakPolarHBondContact O-CG2 3.45Å; K454-V458 PolarHBondContact O-N 3.26Å; V458-K460 PolarHBondContact O-N 3.35Å; V458-K460 VanDerWaalsContact O-N 3.11Å; V458-V461 PolarHBondContact O-N 3.32Å; V458-V461 VanDerWaalsContact O-N 3.11Å; V458-I462 HydrophobicContact CG1-CD1 3.88Å; V458-I462 HydrophobicContact CG1-CG1 4.49Å; V458-I462 WeakPolarHBondContact O-CG1 3.43Å; V458-I462 PolarHBondContact O-N 2.94Å
459	K	93	Very high	90.3	Very high	155 Å²	155	54.4 Å²	54.4	67%	0.674	26%	0.259	S	S	*	.	H	α-helix	trans	-57.3	-27.6	175.8	-172.7	170.1	-175.1	168.5	0	113.5	K455 L457 Q463	K455-K459 WeakPolarHBondContact O-CB 3.18Å; L457-K459 VanDerWaalsContact C-N 3.32Å; L457-K459 PolarHBondContact O-N 3.01Å; K459-Q463 PolarHBondContact O-N 3.01Å
460	K	94.1	Very high	90.6	Very high	58 Å²	58	61 Å²	61	25%	0.252	29%	0.29	S	S	.	.	H	α-helix	trans	-88.2	-30.6	177.8	-75	-76.8	170	-165.2	0	113.3	I367 F369 R456 L457 V458 Q463 M464	I367-K460 HydrophobicContact CD1-CB 4.28Å; I367-K460 HydrophobicContact CD1-CD 3.75Å; F369-K460 HydrophobicContact CB-CD 4.5Å; F369-K460 HydrophobicContact CD1-CB 4.23Å; F369-K460 HydrophobicContact CD1-CD 4.01Å; F369-K460 HydrophobicContact CD1-CG 4.06Å; F369-K460 HydrophobicContact CD2-CD 4.18Å; F369-K460 HydrophobicContact CD2-CG 4.02Å; F369-K460 HydrophobicContact CE1-CB 3.67Å; F369-K460 HydrophobicContact CE1-CD 4.26Å; F369-K460 HydrophobicContact CE1-CG 3.81Å; F369-K460 HydrophobicContact CE2-CB 4.39Å; F369-K460 HydrophobicContact CE2-CD 4.43Å; F369-K460 HydrophobicContact CE2-CG 3.77Å; F369-K460 HydrophobicContact CG-CD 3.97Å; F369-K460 HydrophobicContact CG-CG 4.17Å; F369-K460 HydrophobicContact CZ-CB 3.76Å; F369-K460 HydrophobicContact CZ-CD 4.46Å; F369-K460 HydrophobicContact CZ-CG 3.65Å; R456-K460 WeakPolarHBondContact O-CG 3.49Å; R456-K460 PolarHBondContact O-N 2.89Å; L457-K460 CarbonylContact O-C 3.48Å; L457-K460 WeakPolarHBondContact O-CA 3.02Å; L457-K460 WeakPolarHBondContact O-CB 3.29Å; L457-K460 PolarHBondContact O-N 2.73Å; V458-K460 PolarHBondContact O-N 3.35Å; V458-K460 VanDerWaalsContact O-N 3.11Å; K460-Q463 PolarHBondContact O-N 3.42Å; K460-M464 WeakPolarHBondContact O-CB 3.24Å; K460-M464 PolarHBondContact O-N 3.36Å
461	V	93.6	Very high	90.8	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-47.5	168.2	178	0	0	0	0	110.4	L381 L419 L423 V426 L457 V458 Q463 M464 I465	L381-V461 HydrophobicContact CD1-CG2 3.72Å; L419-V461 HydrophobicContact CD1-CG2 4.37Å; L419-V461 HydrophobicContact CD2-CG2 4.48Å; L423-V461 HydrophobicContact CD1-CB 4.14Å; L423-V461 HydrophobicContact CD1-CG1 4.05Å; L423-V461 HydrophobicContact CD1-CG2 4.46Å; L423-V461 HydrophobicContact CD2-CG1 3.91Å; V426-V461 HydrophobicContact CG1-CG2 4.12Å; V426-V461 HydrophobicContact CG2-CG1 3.83Å; V426-V461 HydrophobicContact CG2-CG2 4.09Å; L457-V461 PolarHBondContact O-N 3.03Å; V458-V461 PolarHBondContact O-N 3.32Å; V458-V461 VanDerWaalsContact O-N 3.11Å; V461-Q463 VanDerWaalsContact C-N 3.29Å; V461-Q463 PolarHBondContact O-N 2.86Å; V461-M464 WeakPolarHBondContact O-CB 3.47Å; V461-M464 PolarHBondContact O-N 2.81Å; V461-I465 HydrophobicContact CG1-CD1 3.95Å; V461-I465 WeakPolarHBondContact O-CG1 3.38Å; V461-I465 PolarHBondContact O-N 2.74Å
462	I	93.9	Very high	91.1	Very high	15 Å²	15	60.9 Å²	60.9	8%	0.077	30%	0.3	C	S	.	.	H	α-helix	trans	-58.2	-41.5	174.9	-68.4	172.2	0	0	0	111	V458 I465 S466 N494 K497 L498 F501	V458-I462 HydrophobicContact CG1-CD1 3.88Å; V458-I462 HydrophobicContact CG1-CG1 4.49Å; V458-I462 WeakPolarHBondContact O-CG1 3.43Å; V458-I462 PolarHBondContact O-N 2.94Å; I462-I465 PolarHBondContact O-N 2.85Å; I462-S466 PolarHBondContact O-N 2.86Å; I462-S466 PolarHBondContact O-OG 3.06Å; I462-N494 HydrophobicContact CD1-CB 3.74Å; I462-K497 HydrophobicContact CG2-CB 4.26Å; I462-L498 HydrophobicContact CD1-CD2 4.3Å; I462-L498 HydrophobicContact CG1-CD2 4.17Å; I462-F501 HydrophobicContact CG2-CE2 4.12Å; I462-F501 HydrophobicContact CG2-CZ 4.21Å
463	Q	93.8	Very high	91.4	Very high	67 Å²	67	58.7 Å²	58.7	31%	0.313	29%	0.289	S	S	.	.	H	α-helix	trans	-60.6	-48.6	172.5	-177.1	178.8	-9.4	0	0	111.6	K459 K460 V461 I465 S466 E467	K459-Q463 PolarHBondContact O-N 3.01Å; K460-Q463 PolarHBondContact O-N 3.42Å; V461-Q463 VanDerWaalsContact C-N 3.29Å; V461-Q463 PolarHBondContact O-N 2.86Å; Q463-I465 VanDerWaalsContact C-N 3.32Å; Q463-I465 PolarHBondContact O-N 2.94Å; Q463-S466 WeakPolarHBondContact CA-OG 3.33Å; Q463-S466 PolarHBondContact O-N 3.38Å; Q463-S466 VanDerWaalsContact O-N 3.09Å; Q463-S466 PolarHBondContact O-OG 2.93Å; Q463-E467 HydrophobicContact CG-CG 4.5Å; Q463-E467 WeakPolarHBondContact CG-OE1 3.1Å; Q463-E467 PolarHBondContact NE2-OE1 3.31Å; Q463-E467 WeakPolarHBondContact O-CG 3.08Å; Q463-E467 PolarHBondContact O-N 3.43Å
464	M	94	Very high	91.5	Very high	7 Å²	7	64.2 Å²	64.2	3%	0.034	31%	0.313	C	S	.	.	H	α-helix	trans	-58.8	-39.6	179.5	176	170	50.2	0	0	112.8	A365 K366 I367 L381 I383 K460 V461 E467	A365-M464 HydrophobicContact CB-CG 4.01Å; A365-M464 HydrophobicContact CB-SD 4.11Å; K366-M464 VanDerWaalsContact CA-SD 3.57Å; I367-M464 HydrophobicContact CB-CB 4.17Å; I367-M464 HydrophobicContact CB-CG 4.36Å; I367-M464 HydrophobicContact CB-SD 3.95Å; I367-M464 HydrophobicContact CD1-CB 4.38Å; I367-M464 HydrophobicContact CG2-CB 4.16Å; I367-M464 HydrophobicContact CG2-CE 3.92Å; I367-M464 HydrophobicContact CG2-CG 4.48Å; I367-M464 HydrophobicContact CG2-SD 3.75Å; L381-M464 HydrophobicContact CB-CE 4.24Å; I383-M464 HydrophobicContact CD1-CE 3.96Å; I383-M464 HydrophobicContact CD1-CG 4.24Å; I383-M464 HydrophobicContact CD1-SD 4.3Å; I383-M464 HydrophobicContact CG1-CE 3.67Å; I383-M464 HydrophobicContact CG1-SD 4.12Å; K460-M464 WeakPolarHBondContact O-CB 3.24Å; K460-M464 PolarHBondContact O-N 3.36Å; V461-M464 WeakPolarHBondContact O-CB 3.47Å; V461-M464 PolarHBondContact O-N 2.81Å; M464-E467 PolarHBondContact O-N 3.22Å
465	I	94.3	Very high	91.6	Very high	2 Å²	2	65.9 Å²	65.9	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-66.6	-40	175.1	-64.3	165.5	0	0	0	110.7	I383 V461 I462 Q463 E467 L468 F473 F476 I484 F501	I383-I465 HydrophobicContact CD1-CG1 3.95Å; V461-I465 HydrophobicContact CG1-CD1 3.95Å; V461-I465 WeakPolarHBondContact O-CG1 3.38Å; V461-I465 PolarHBondContact O-N 2.74Å; I462-I465 PolarHBondContact O-N 2.85Å; Q463-I465 VanDerWaalsContact C-N 3.32Å; Q463-I465 PolarHBondContact O-N 2.94Å; I465-E467 PolarHBondContact O-N 2.87Å; I465-L468 HydrophobicContact CG2-CD1 4.34Å; I465-L468 WeakPolarHBondContact O-CB 3.17Å; I465-L468 VanDerWaalsContact O-CG 3.3Å; I465-L468 WeakPolarHBondContact O-CG 3.35Å; I465-L468 PolarHBondContact O-N 3.22Å; I465-F473 HydrophobicContact CG2-CE2 3.98Å; I465-F476 HydrophobicContact CD1-CE1 4.28Å; I465-F476 HydrophobicContact CD1-CZ 3.75Å; I465-F476 HydrophobicContact CG1-CE1 4.26Å; I465-F476 HydrophobicContact CG1-CE2 4.4Å; I465-F476 HydrophobicContact CG1-CZ 3.9Å; I465-F476 HydrophobicContact CG2-CD1 4.26Å; I465-F476 HydrophobicContact CG2-CE1 3.71Å; I465-F476 HydrophobicContact CG2-CZ 4.22Å; I465-I484 HydrophobicContact CD1-CD1 4.1Å; I465-F501 HydrophobicContact CB-CE1 4.44Å; I465-F501 HydrophobicContact CB-CE2 4.2Å; I465-F501 HydrophobicContact CB-CZ 4.04Å; I465-F501 HydrophobicContact CG2-CD1 3.89Å; I465-F501 HydrophobicContact CG2-CD2 3.95Å; I465-F501 HydrophobicContact CG2-CE1 3.8Å; I465-F501 HydrophobicContact CG2-CE2 3.85Å; I465-F501 HydrophobicContact CG2-CG 3.99Å; I465-F501 HydrophobicContact CG2-CZ 3.77Å
466	S	92	Very high	91.8	Very high	74 Å²	74	57.8 Å²	57.8	52%	0.517	29%	0.289	S	S	.	.	H	α-helix	trans	-69.7	-16.3	176.6	74.4	0	0	0	0	114.9	I462 Q463	I462-S466 PolarHBondContact O-N 2.86Å; I462-S466 PolarHBondContact O-OG 3.06Å; Q463-S466 WeakPolarHBondContact CA-OG 3.33Å; Q463-S466 PolarHBondContact O-N 3.38Å; Q463-S466 VanDerWaalsContact O-N 3.09Å; Q463-S466 PolarHBondContact O-OG 2.93Å
467	E	92.9	Very high	91.9	Very high	128 Å²	128	54.9 Å²	54.9	60%	0.598	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	0.1	177.4	-72.1	178.6	-171.2	0	0	113.2	Q463 M464 I465	Q463-E467 HydrophobicContact CG-CG 4.5Å; Q463-E467 WeakPolarHBondContact CG-OE1 3.1Å; Q463-E467 PolarHBondContact NE2-OE1 3.31Å; Q463-E467 WeakPolarHBondContact O-CG 3.08Å; Q463-E467 PolarHBondContact O-N 3.43Å; M464-E467 PolarHBondContact O-N 3.22Å; I465-E467 PolarHBondContact O-N 2.87Å
468	L	92.5	Very high	91.9	Very high	23 Å²	23	62.3 Å²	62.3	12%	0.12	31%	0.311	C	S	.	.			trans	-66.6	139.3	174.2	-64.1	175.9	0	0	0	111.7	A365 I465 Q472 F473 F476	A365-L468 HydrophobicContact CB-CD2 3.69Å; I465-L468 HydrophobicContact CG2-CD1 4.34Å; I465-L468 WeakPolarHBondContact O-CB 3.17Å; I465-L468 VanDerWaalsContact O-CG 3.3Å; I465-L468 WeakPolarHBondContact O-CG 3.35Å; I465-L468 PolarHBondContact O-N 3.22Å; L468-Q472 HydrophobicContact CB-CB 4.36Å; L468-Q472 HydrophobicContact CD2-CB 4.18Å; L468-F473 HydrophobicContact CB-CB 4.27Å; L468-F473 HydrophobicContact CB-CD2 4.32Å; L468-F473 HydrophobicContact CD1-CD2 4.05Å; L468-F476 HydrophobicContact CD1-CB 3.86Å; L468-F476 HydrophobicContact CD1-CD1 4.06Å; L468-F476 HydrophobicContact CD1-CD2 4.37Å; L468-F476 HydrophobicContact CD1-CG 3.82Å
469	S	88.4	Confident	91.8	Very high	51 Å²	51	64 Å²	64	36%	0.357	32%	0.318	S	S	.	.			trans	-71.3	152.7	166.5	64.3	0	0	0	0	111.3	S471 Q472 F473	S469-S471 PolarHBondContact O-N 3.31Å; S469-Q472 CarbonylContact O-C 3.5Å; S469-Q472 WeakPolarHBondContact O-CA 3.2Å; S469-Q472 WeakPolarHBondContact O-CB 3.34Å; S469-Q472 PolarHBondContact O-N 3.46Å; S469-Q472 WeakPolarHBondContact OG-CG 3.06Å; S469-Q472 PolarHBondContact OG-OE1 3.13Å; S469-F473 WeakPolarHBondContact O-CB 3.48Å; S469-F473 PolarHBondContact O-N 2.57Å
470	E	86.5	Confident	91.8	Very high	176 Å²	176	56.6 Å²	56.6	82%	0.822	29%	0.286	S	S	*	.	H	α-helix	trans	-49.4	-36.5	-177.4	-66.6	168.1	-163	0	0	114.2	F473 K474	E470-F473 PolarHBondContact O-N 3.14Å; E470-K474 PolarHBondContact O-N 3.03Å
471	S	86.9	Confident	91.7	Very high	82 Å²	82	54.6 Å²	54.6	57%	0.573	28%	0.279	S	S	*	.	H	α-helix	trans	-75.5	-36.1	177.4	53.8	0	0	0	0	113.4	S469 F473 N475	S469-S471 PolarHBondContact O-N 3.31Å; S471-F473 VanDerWaalsContact C-N 3.33Å; S471-N475 PolarHBondContact O-N 3.38Å; S471-N475 PolarHBondContact O-OD1 3.39Å
472	Q	90.1	Very high	91.6	Very high	69 Å²	69	56.9 Å²	56.9	32%	0.322	29%	0.293	S	S	.	.	H	α-helix	trans	-69	-35.9	169	-69.2	168.9	-79.4	0	0	111	L364 L468 S469 N475 F476	L364-Q472 HydrophobicContact CD1-CB 4.31Å; L364-Q472 HydrophobicContact CD1-CG 4.39Å; L364-Q472 PolarHBondContact O-NE2 3.05Å; L468-Q472 HydrophobicContact CB-CB 4.36Å; L468-Q472 HydrophobicContact CD2-CB 4.18Å; S469-Q472 CarbonylContact O-C 3.5Å; S469-Q472 WeakPolarHBondContact O-CA 3.2Å; S469-Q472 WeakPolarHBondContact O-CB 3.34Å; S469-Q472 PolarHBondContact O-N 3.46Å; S469-Q472 WeakPolarHBondContact OG-CG 3.06Å; S469-Q472 PolarHBondContact OG-OE1 3.13Å; Q472-N475 PolarHBondContact O-N 3.37Å; Q472-F476 WeakPolarHBondContact O-CB 3.07Å; Q472-F476 PolarHBondContact O-N 3.13Å
473	F	92.1	Very high	91.5	Very high	18 Å²	18	56.4 Å²	56.4	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-67.3	-39.3	178.5	-166.8	-81.5	0	0	0	111.7	I465 L468 S469 E470 S471 N475 F476 W477 F501 R503	I465-F473 HydrophobicContact CG2-CE2 3.98Å; L468-F473 HydrophobicContact CB-CB 4.27Å; L468-F473 HydrophobicContact CB-CD2 4.32Å; L468-F473 HydrophobicContact CD1-CD2 4.05Å; S469-F473 WeakPolarHBondContact O-CB 3.48Å; S469-F473 PolarHBondContact O-N 2.57Å; E470-F473 PolarHBondContact O-N 3.14Å; S471-F473 VanDerWaalsContact C-N 3.33Å; F473-N475 VanDerWaalsContact C-N 3.32Å; F473-N475 PolarHBondContact O-N 2.97Å; F473-F476 HydrophobicContact CD2-CD1 4.45Å; F473-F476 HydrophobicContact CE2-CD1 4.18Å; F473-F476 HydrophobicContact CZ-CD1 4.5Å; F473-F476 PolarHBondContact O-N 2.69Å; F473-W477 HydrophobicContact CD1-CB 4.4Å; F473-W477 HydrophobicContact CE1-CB 4.1Å; F473-W477 HydrophobicContact CE1-CE3 4.3Å; F473-W477 HydrophobicContact CE1-CG 4.48Å; F473-W477 HydrophobicContact CZ-CE3 4.3Å; F473-W477 VanDerWaalsContact O-CB 3.29Å; F473-W477 WeakPolarHBondContact O-CB 3.35Å; F473-W477 PolarHBondContact O-N 3.38Å; F473-F501 HydrophobicContact CE2-CB 4.27Å; F473-F501 AromaticContact CE2-CD1 3.91Å; F473-F501 HydrophobicContact CE2-CD1 3.91Å; F473-F501 HydrophobicContact CE2-CG 4.36Å; F473-F501 HydrophobicContact CZ-CB 3.9Å; F473-F501 HydrophobicContact CZ-CD1 4.3Å; F473-F501 HydrophobicContact CZ-CG 4.47Å; F473-F501 VanDerWaalsContact CZ-O 3.29Å; F473-F501 WeakPolarHBondContact CZ-O 3.26Å; F473-R503 HydrophobicContact CD1-CG 4.48Å; F473-R503 HydrophobicContact CE1-CG 3.75Å
474	K	90.2	Very high	91.5	Very high	117 Å²	117	53.2 Å²	53.2	51%	0.509	28%	0.276	S	S	.	.	H	α-helix	trans	-58.5	-42.9	170.9	-89.1	-165.4	170.8	-167.6	0	112.6	E470 K478 N512	E470-K474 PolarHBondContact O-N 3.03Å; K474-K478 PolarHBondContact O-N 2.91Å; K474-N512 PolarHBondContact NZ-OD1 3.44Å
475	N	90.4	Very high	91.5	Very high	98 Å²	98	53 Å²	53	52%	0.524	28%	0.275	S	S	.	.	H	α-helix	trans	-67.1	-45.8	176	-67.6	8.9	0	0	0	110.8	S471 Q472 F473 W477 K478 E479	S471-N475 PolarHBondContact O-N 3.38Å; S471-N475 PolarHBondContact O-OD1 3.39Å; Q472-N475 PolarHBondContact O-N 3.37Å; F473-N475 VanDerWaalsContact C-N 3.32Å; F473-N475 PolarHBondContact O-N 2.97Å; N475-W477 VanDerWaalsContact C-N 3.33Å; N475-W477 PolarHBondContact O-N 3.48Å; N475-K478 PolarHBondContact O-N 2.9Å; N475-E479 WeakPolarHBondContact O-CG 3.3Å; N475-E479 PolarHBondContact O-N 2.66Å
476	F	93.9	Very high	91.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-55.4	-46.8	175.1	177	-105.6	0	0	0	112.2	L364 I383 F425 I465 L468 Q472 F473 E479 Y480 I484	L364-F476 HydrophobicContact CD2-CB 3.94Å; L364-F476 HydrophobicContact CD2-CD2 4.29Å; I383-F476 HydrophobicContact CD1-CD2 4.41Å; I383-F476 HydrophobicContact CD1-CE2 4.08Å; I383-F476 HydrophobicContact CG2-CD2 4.08Å; I383-F476 HydrophobicContact CG2-CE2 4.12Å; F425-F476 AromaticContact CE2-CE2 3.91Å; F425-F476 HydrophobicContact CE2-CE2 3.91Å; F425-F476 HydrophobicContact CE2-CZ 4.43Å; F425-F476 HydrophobicContact CZ-CE2 4.08Å; F425-F476 HydrophobicContact CZ-CZ 4.15Å; I465-F476 HydrophobicContact CD1-CE1 4.28Å; I465-F476 HydrophobicContact CD1-CZ 3.75Å; I465-F476 HydrophobicContact CG1-CE1 4.26Å; I465-F476 HydrophobicContact CG1-CE2 4.4Å; I465-F476 HydrophobicContact CG1-CZ 3.9Å; I465-F476 HydrophobicContact CG2-CD1 4.26Å; I465-F476 HydrophobicContact CG2-CE1 3.71Å; I465-F476 HydrophobicContact CG2-CZ 4.22Å; L468-F476 HydrophobicContact CD1-CB 3.86Å; L468-F476 HydrophobicContact CD1-CD1 4.06Å; L468-F476 HydrophobicContact CD1-CD2 4.37Å; L468-F476 HydrophobicContact CD1-CG 3.82Å; Q472-F476 WeakPolarHBondContact O-CB 3.07Å; Q472-F476 PolarHBondContact O-N 3.13Å; F473-F476 HydrophobicContact CD2-CD1 4.45Å; F473-F476 HydrophobicContact CE2-CD1 4.18Å; F473-F476 HydrophobicContact CZ-CD1 4.5Å; F473-F476 PolarHBondContact O-N 2.69Å; F476-E479 PolarHBondContact O-N 2.05Å; F476-Y480 AromaticContact CD2-CD2 3.46Å; F476-Y480 HydrophobicContact CD2-CD2 3.46Å; F476-Y480 VanDerWaalsContact CD2-CD2 3.46Å; F476-Y480 HydrophobicContact CD2-CE2 4.16Å; F476-Y480 HydrophobicContact CD2-CG 4.27Å; F476-Y480 AromaticContact CE2-CD2 3.6Å; F476-Y480 HydrophobicContact CE2-CD2 3.6Å; F476-Y480 HydrophobicContact CE2-CE2 4.43Å; F476-Y480 AromaticContact CE2-CG 3.99Å; F476-Y480 HydrophobicContact CE2-CG 3.99Å; F476-Y480 HydrophobicContact CG-CD2 4.36Å; F476-Y480 PolarHBondContact O-N 2.87Å; F476-I484 HydrophobicContact CE1-CD1 4.26Å; F476-I484 HydrophobicContact CE1-CG1 3.97Å; F476-I484 HydrophobicContact CZ-CD1 4.07Å; F476-I484 HydrophobicContact CZ-CG1 4.04Å
477	W	93.7	Very high	91.4	Very high	7 Å²	7	51.2 Å²	51.2	3%	0.027	26%	0.259	C	S	.	.	H	α-helix	trans	-67.8	-34.7	-179.2	-171.1	-101.3	0	0	0	113	F473 N475 E479 S481 I484 F501 L502 R503	F473-W477 HydrophobicContact CD1-CB 4.4Å; F473-W477 HydrophobicContact CE1-CB 4.1Å; F473-W477 HydrophobicContact CE1-CE3 4.3Å; F473-W477 HydrophobicContact CE1-CG 4.48Å; F473-W477 HydrophobicContact CZ-CE3 4.3Å; F473-W477 VanDerWaalsContact O-CB 3.29Å; F473-W477 WeakPolarHBondContact O-CB 3.35Å; F473-W477 PolarHBondContact O-N 3.38Å; N475-W477 VanDerWaalsContact C-N 3.33Å; N475-W477 PolarHBondContact O-N 3.48Å; W477-E479 VanDerWaalsContact C-N 3.25Å; W477-E479 PolarHBondContact O-N 2.84Å; W477-S481 WeakPolarHBondContact O-CB 3.41Å; W477-S481 PolarHBondContact O-N 3.1Å; W477-S481 PolarHBondContact O-OG 3.24Å; W477-I484 HydrophobicContact CZ3-CB 3.99Å; W477-I484 HydrophobicContact CZ3-CG2 3.87Å; W477-F501 WeakPolarHBondContact CZ3-O 3.18Å; W477-L502 HydrophobicContact CH2-CD2 3.84Å; W477-R503 HydrophobicContact CD2-CB 4.13Å; W477-R503 HydrophobicContact CD2-CG 4.21Å; W477-R503 HydrophobicContact CG-CB 4.26Å; W477-R503 HydrophobicContact CG-CG 4.3Å; W477-R503 HydrophobicContact CZ2-CB 4.37Å; W477-R503 WeakPolarHBondContact CZ2-O 3.46Å; W477-R503 PolarHBondContact NE1-O 3.31Å
478	K	91.1	Very high	91.4	Very high	156 Å²	156	45.1 Å²	45.1	68%	0.678	23%	0.23	S	C	*	.	H	α-helix	trans	-61.8	-34.7	173.3	-177.9	-173.2	168.7	-62.5	0	112.3	K474 N475	K474-K478 PolarHBondContact O-N 2.91Å; N475-K478 PolarHBondContact O-N 2.9Å
479	E	90.8	Very high	91.4	Very high	40 Å²	40	46.5 Å²	46.5	19%	0.187	24%	0.238	C	C	.	.	H	α-helix	trans	-102.8	-22.6	-167.8	-52.4	-75.2	130.6	0	0	113.3	H386 N475 F476 W477	H386-E479 IonicContact CE1-OE2 2.68Å; H386-E479 IonicContact CG-OE2 2.57Å; H386-E479 IonicContact ND1-OE2 2.74Å; H386-E479 PolarHBondContact ND1-OE2 2.99Å; N475-E479 WeakPolarHBondContact O-CG 3.3Å; N475-E479 PolarHBondContact O-N 2.66Å; F476-E479 PolarHBondContact O-N 2.05Å; W477-E479 VanDerWaalsContact C-N 3.25Å; W477-E479 PolarHBondContact O-N 2.84Å
480	Y	92.3	Very high	91.4	Very high	1 Å²	1	48 Å²	48	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-135.6	20.6	-174.9	-52.6	-74.9	0	0	0	114.2	I383 P384 H386 P387 I391 F425 F476 N483 I484	I383-Y480 HydrophobicContact CG2-CD2 4.47Å; I383-Y480 HydrophobicContact CG2-CE2 3.9Å; P384-Y480 WeakPolarHBondContact CG-OH 3.4Å; P384-Y480 PolarHBondContact O-OH 3.08Å; H386-Y480 VanDerWaalsContact C-OH 3.3Å; H386-Y480 PolarHBondContact O-OH 3.29Å; P387-Y480 HydrophobicContact CB-CE1 4.02Å; I391-Y480 HydrophobicContact CD1-CD1 4.31Å; I391-Y480 HydrophobicContact CD1-CE1 4.29Å; F425-Y480 HydrophobicContact CB-CD1 3.94Å; F425-Y480 HydrophobicContact CB-CE1 3.66Å; F425-Y480 HydrophobicContact CD1-CD1 4.09Å; F425-Y480 AromaticContact CD2-CD1 3.94Å; F425-Y480 HydrophobicContact CD2-CD1 3.94Å; F425-Y480 AromaticContact CD2-CE1 3.93Å; F425-Y480 HydrophobicContact CD2-CE1 3.93Å; F425-Y480 HydrophobicContact CD2-CG 4.36Å; F425-Y480 AromaticContact CG-CD1 3.72Å; F425-Y480 HydrophobicContact CG-CD1 3.72Å; F425-Y480 AromaticContact CG-CE1 3.84Å; F425-Y480 HydrophobicContact CG-CE1 3.84Å; F425-Y480 HydrophobicContact CG-CG 4.47Å; F476-Y480 AromaticContact CD2-CD2 3.46Å; F476-Y480 HydrophobicContact CD2-CD2 3.46Å; F476-Y480 VanDerWaalsContact CD2-CD2 3.46Å; F476-Y480 HydrophobicContact CD2-CE2 4.16Å; F476-Y480 HydrophobicContact CD2-CG 4.27Å; F476-Y480 AromaticContact CE2-CD2 3.6Å; F476-Y480 HydrophobicContact CE2-CD2 3.6Å; F476-Y480 HydrophobicContact CE2-CE2 4.43Å; F476-Y480 AromaticContact CE2-CG 3.99Å; F476-Y480 HydrophobicContact CE2-CG 3.99Å; F476-Y480 HydrophobicContact CG-CD2 4.36Å; F476-Y480 PolarHBondContact O-N 2.87Å; Y480-N483 PolarHBondContact O-N 3.14Å; Y480-I484 PolarHBondContact O-N 3.25Å
481	S	91.7	Very high	91.5	Very high	16 Å²	16	40.3 Å²	40.3	11%	0.112	21%	0.206	C	C	.	.	H	α-helix	trans	-59	-46.9	177.2	32	0	0	0	0	112.2	W477 N483 I484 K485	W477-S481 WeakPolarHBondContact O-CB 3.41Å; W477-S481 PolarHBondContact O-N 3.1Å; W477-S481 PolarHBondContact O-OG 3.24Å; S481-N483 PolarHBondContact O-N 2.94Å; S481-I484 PolarHBondContact O-N 3Å; S481-K485 WeakPolarHBondContact O-CG 3.05Å; S481-K485 PolarHBondContact O-N 2.98Å
482	V	91.5	Very high	91.7	Very high	48 Å²	48	41.1 Å²	41.1	29%	0.291	20%	0.204	S	C	.	.	H	α-helix	trans	-54.5	-49.3	176.5	179	0	0	0	0	111	F392 I484 K485 L486 V564	F392-V482 HydrophobicContact CE1-CB 4.49Å; F392-V482 HydrophobicContact CE1-CG1 3.98Å; F392-V482 HydrophobicContact CZ-CB 3.98Å; F392-V482 HydrophobicContact CZ-CG1 3.85Å; V482-I484 VanDerWaalsContact C-N 3.26Å; V482-I484 PolarHBondContact O-N 3.31Å; V482-K485 PolarHBondContact O-N 3.03Å; V482-L486 HydrophobicContact CG1-CD1 4.11Å; V482-L486 HydrophobicContact CG1-CG 4.34Å; V482-L486 WeakPolarHBondContact O-CG 3.1Å; V482-L486 PolarHBondContact O-N 2.87Å; V482-V564 HydrophobicContact CG1-CG1 4.35Å; V482-V564 HydrophobicContact CG2-CG1 4.37Å
483	N	92.1	Very high	91.7	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-57.5	-35	176.5	-64.1	92.4	0	0	0	113.5	Y422 F425 Y480 S481 G487	Y422-N483 WeakPolarHBondContact CB-O 3.35Å; Y422-N483 VanDerWaalsContact CD2-O 3.31Å; Y422-N483 WeakPolarHBondContact CD2-O 3.22Å; Y422-N483 WeakPolarHBondContact O-CB 3.43Å; Y422-N483 PolarHBondContact O-ND2 3.19Å; F425-N483 HydrophobicContact CD1-CB 3.98Å; F425-N483 HydrophobicContact CE1-CB 3.85Å; Y480-N483 PolarHBondContact O-N 3.14Å; S481-N483 PolarHBondContact O-N 2.94Å; N483-G487 PolarHBondContact O-N 2.79Å; N483-G487 VanDerWaalsContact O-N 3.1Å
484	I	94.1	Very high	91.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-78.5	-24.7	177.6	-62.9	-64.5	0	0	0	112.3	I465 F476 W477 Y480 S481 V482 I488 L498 F501	I465-I484 HydrophobicContact CD1-CD1 4.1Å; F476-I484 HydrophobicContact CE1-CD1 4.26Å; F476-I484 HydrophobicContact CE1-CG1 3.97Å; F476-I484 HydrophobicContact CZ-CD1 4.07Å; F476-I484 HydrophobicContact CZ-CG1 4.04Å; W477-I484 HydrophobicContact CZ3-CB 3.99Å; W477-I484 HydrophobicContact CZ3-CG2 3.87Å; Y480-I484 PolarHBondContact O-N 3.25Å; S481-I484 PolarHBondContact O-N 3Å; V482-I484 VanDerWaalsContact C-N 3.26Å; V482-I484 PolarHBondContact O-N 3.31Å; I484-I488 WeakPolarHBondContact O-CG1 3.39Å; I484-L498 HydrophobicContact CD1-CD2 4.41Å; I484-F501 HydrophobicContact CG2-CB 4.04Å
485	K	93.9	Very high	91.7	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.013	21%	0.214	C	C	.	.	H	α-helix	trans	-75.9	-45.9	172.4	-65.3	173.6	-175.6	-171.1	0	111.3	S481 V482 G487 I488 L502 D562 V564 D565 M568	S481-K485 WeakPolarHBondContact O-CG 3.05Å; S481-K485 PolarHBondContact O-N 2.98Å; V482-K485 PolarHBondContact O-N 3.03Å; K485-G487 VanDerWaalsContact C-N 3.32Å; K485-G487 PolarHBondContact O-N 2.81Å; K485-I488 WeakPolarHBondContact O-CB 3.5Å; K485-I488 PolarHBondContact O-N 3.19Å; K485-L502 HydrophobicContact CG-CD2 4.15Å; K485-D562 IonicContact NZ-OD2 2.77Å; K485-D562 PolarHBondContact NZ-OD2 3.36Å; K485-V564 HydrophobicContact CB-CG1 4.32Å; K485-V564 HydrophobicContact CB-CG2 3.9Å; K485-V564 HydrophobicContact CD-CG1 3.65Å; K485-D565 WeakPolarHBondContact CD-OD1 3.42Å; K485-D565 WeakPolarHBondContact CE-OD1 3.44Å; K485-D565 IonicContact NZ-OD1 2.09Å; K485-D565 PolarHBondContact NZ-OD1 2.68Å; K485-D565 IonicContact NZ-OD2 2.07Å; K485-D565 PolarHBondContact NZ-OD2 2.93Å; K485-D565 VanDerWaalsContact NZ-OD2 3.12Å; K485-M568 HydrophobicContact CB-CB 4.37Å; K485-M568 HydrophobicContact CB-CG 4.15Å; K485-M568 HydrophobicContact CG-CG 4.42Å
486	L	91.8	Very high	91.7	Very high	37 Å²	37	41.6 Å²	41.6	19%	0.194	22%	0.218	C	C	.	.	H	α-helix	trans	-54.3	-47.7	170.6	-67.2	173.6	0	0	0	110.8	F392 V482 I488 I489 D490 V564	F392-L486 HydrophobicContact CE1-CD1 4.39Å; V482-L486 HydrophobicContact CG1-CD1 4.11Å; V482-L486 HydrophobicContact CG1-CG 4.34Å; V482-L486 WeakPolarHBondContact O-CG 3.1Å; V482-L486 PolarHBondContact O-N 2.87Å; L486-I488 PolarHBondContact O-N 2.72Å; L486-I489 CarbonylContact O-C 3.47Å; L486-I489 WeakPolarHBondContact O-CA 3.4Å; L486-I489 VanDerWaalsContact O-CB 3.32Å; L486-I489 WeakPolarHBondContact O-CB 3.44Å; L486-I489 PolarHBondContact O-N 3.2Å; L486-D490 PolarHBondContact O-N 3.07Å; L486-D490 VanDerWaalsContact O-OD1 3.06Å; L486-V564 HydrophobicContact CD2-CG2 3.98Å; L486-V564 HydrophobicContact CG-CG2 4.32Å
487	G	91.8	Very high	91.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-11.8	175.9	0	0	0	0	0	116.5	Y422 N483 K485 D491 L498	Y422-G487 VanDerWaalsContact CD2-CA 3.46Å; N483-G487 PolarHBondContact O-N 2.79Å; N483-G487 VanDerWaalsContact O-N 3.1Å; K485-G487 VanDerWaalsContact C-N 3.32Å; K485-G487 PolarHBondContact O-N 2.81Å; G487-D491 WeakPolarHBondContact O-CB 3.39Å; G487-D491 PolarHBondContact O-N 3.1Å; G487-L498 WeakPolarHBondContact O-CD1 3.2Å
488	I	93.5	Very high	91.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-85.3	-21.6	172.4	-76.4	167.4	0	0	0	111.8	I484 K485 L486 R495 L498 L502 M568 L572	I484-I488 WeakPolarHBondContact O-CG1 3.39Å; K485-I488 WeakPolarHBondContact O-CB 3.5Å; K485-I488 PolarHBondContact O-N 3.19Å; L486-I488 PolarHBondContact O-N 2.72Å; I488-R495 HydrophobicContact CG2-CG 4.27Å; I488-L498 HydrophobicContact CD1-CB 4.16Å; I488-L498 HydrophobicContact CG1-CB 3.63Å; I488-L502 HydrophobicContact CD1-CD1 3.77Å; I488-L502 HydrophobicContact CD1-CD2 3.62Å; I488-L502 HydrophobicContact CD1-CG 3.68Å; I488-M568 HydrophobicContact CB-CG 4.16Å; I488-M568 HydrophobicContact CG2-CG 3.79Å; I488-M568 HydrophobicContact CG2-SD 4.23Å; I488-L572 HydrophobicContact CG2-CB 4.27Å
489	I	91.7	Very high	91.7	Very high	53 Å²	53	38.5 Å²	38.5	27%	0.272	21%	0.205	S	C	.	.	H	α-helix	trans	-82.6	-65.4	168.9	-51.7	168.5	0	0	0	107.8	L486 D491	L486-I489 CarbonylContact O-C 3.47Å; L486-I489 WeakPolarHBondContact O-CA 3.4Å; L486-I489 VanDerWaalsContact O-CB 3.32Å; L486-I489 WeakPolarHBondContact O-CB 3.44Å; L486-I489 PolarHBondContact O-N 3.2Å; I489-D491 PolarHBondContact O-N 3.01Å
490	D	89.5	Confident	91.7	Very high	83 Å²	83	42.2 Å²	42.2	44%	0.444	22%	0.22	S	C	.	.	H	α-helix	trans	-54.6	-41.9	-175.8	-57.3	17.4	0	0	0	115.2	Y422 L486	Y422-D490 HydrophobicContact CD1-CB 4.16Å; L486-D490 PolarHBondContact O-N 3.07Å; L486-D490 VanDerWaalsContact O-OD1 3.06Å
491	D	89.1	Confident	91.8	Very high	14 Å²	14	43 Å²	43	8%	0.075	22%	0.224	C	C	.	.			trans	-116.6	67.4	-165.1	-166.8	-26.2	0	0	0	111.3	Y422 G487 I489 P493 N494 R495 L498	Y422-D491 HydrophobicContact CE1-CB 3.71Å; Y422-D491 PolarHBondContact OH-OD2 2.77Å; G487-D491 WeakPolarHBondContact O-CB 3.39Å; G487-D491 PolarHBondContact O-N 3.1Å; I489-D491 PolarHBondContact O-N 3.01Å; D491-P493 VanDerWaalsContact C-CD 3.46Å; D491-P493 VanDerWaalsContact C-N 3.33Å; D491-P493 WeakPolarHBondContact OD1-CD 3.21Å; D491-P493 WeakPolarHBondContact OD1-CG 2.97Å; D491-N494 HydrophobicContact CB-CB 4.39Å; D491-N494 CarbonylContact O-C 3.3Å; D491-N494 WeakPolarHBondContact O-CA 3.27Å; D491-N494 PolarHBondContact O-N 3.19Å; D491-N494 VanDerWaalsContact OD1-CB 3.25Å; D491-N494 WeakPolarHBondContact OD1-CB 3.46Å; D491-N494 PolarHBondContact OD1-N 3.01Å; D491-N494 PolarHBondContact OD1-ND2 2.87Å; D491-N494 PolarHBondContact OD2-ND2 3.31Å; D491-R495 PolarHBondContact O-N 3.12Å; D491-L498 HydrophobicContact CB-CD1 4.43Å
492	L	90.1	Very high	91.9	Very high	99 Å²	99	42.2 Å²	42.2	52%	0.518	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.2	-47.9	172.1	-60.2	179.7	0	0	0	113.9	N494 R495	L492-N494 VanDerWaalsContact C-N 3.28Å; L492-N494 PolarHBondContact O-N 2.84Å; L492-R495 WeakPolarHBondContact O-CB 3.32Å; L492-R495 PolarHBondContact O-N 2.83Å
493	P	90.5	Very high	92	Very high	104 Å²	104	42.6 Å²	42.6	68%	0.675	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-14.4	178.8	26.7	-32.6	0	0	0	114.4	D491 K497	D491-P493 VanDerWaalsContact C-CD 3.46Å; D491-P493 VanDerWaalsContact C-N 3.33Å; D491-P493 WeakPolarHBondContact OD1-CD 3.21Å; D491-P493 WeakPolarHBondContact OD1-CG 2.97Å; P493-K497 PolarHBondContact O-NZ 2.7Å
494	N	91.2	Very high	92	Very high	25 Å²	25	42.7 Å²	42.7	13%	0.134	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-5.7	168.9	-64.5	-65.6	0	0	0	115.1	I462 D491 L492 T496 K497 L498	I462-N494 HydrophobicContact CD1-CB 3.74Å; D491-N494 HydrophobicContact CB-CB 4.39Å; D491-N494 CarbonylContact O-C 3.3Å; D491-N494 WeakPolarHBondContact O-CA 3.27Å; D491-N494 PolarHBondContact O-N 3.19Å; D491-N494 VanDerWaalsContact OD1-CB 3.25Å; D491-N494 WeakPolarHBondContact OD1-CB 3.46Å; D491-N494 PolarHBondContact OD1-N 3.01Å; D491-N494 PolarHBondContact OD1-ND2 2.87Å; D491-N494 PolarHBondContact OD2-ND2 3.31Å; L492-N494 VanDerWaalsContact C-N 3.28Å; L492-N494 PolarHBondContact O-N 2.84Å; N494-T496 PolarHBondContact O-N 3.31Å; N494-K497 WeakPolarHBondContact O-CA 3.3Å; N494-K497 VanDerWaalsContact O-CB 3.27Å; N494-K497 WeakPolarHBondContact O-CB 3.28Å; N494-K497 PolarHBondContact O-N 2.82Å; N494-K497 WeakPolarHBondContact OD1-CD 2.94Å; N494-K497 WeakPolarHBondContact OD1-CE 3.32Å; N494-K497 PolarHBondContact OD1-NZ 2.91Å; N494-L498 HydrophobicContact CB-CD1 4.07Å; N494-L498 HydrophobicContact CB-CG 4.3Å; N494-L498 PolarHBondContact O-N 2.95Å
495	R	91	Very high	91.9	Very high	85 Å²	85	46 Å²	46	32%	0.321	23%	0.227	S	C	.	.	H	α-helix	trans	-39.2	-54.7	175.3	-175.7	166.9	61.3	171.1	-4.3	113.8	I488 D491 L492 K497 L498 S499 S571 L572	I488-R495 HydrophobicContact CG2-CG 4.27Å; D491-R495 PolarHBondContact O-N 3.12Å; L492-R495 WeakPolarHBondContact O-CB 3.32Å; L492-R495 PolarHBondContact O-N 2.83Å; R495-K497 PolarHBondContact O-N 3.06Å; R495-K497 VanDerWaalsContact O-N 3.1Å; R495-L498 PolarHBondContact O-N 3.14Å; R495-S499 WeakPolarHBondContact O-CB 3.4Å; R495-S499 PolarHBondContact O-N 2.77Å; R495-S499 PolarHBondContact O-OG 2.92Å; R495-S571 WeakPolarHBondContact CD-O 3.38Å; R495-S571 PolarHBondContact NH1-O 3.29Å; R495-L572 HydrophobicContact CG-CD1 4.22Å
496	T	90.8	Very high	91.9	Very high	98 Å²	98	45.9 Å²	45.9	60%	0.601	23%	0.227	S	C	*	.	H	α-helix	trans	-68	-8.8	179.5	-31.5	0	0	0	0	115.1	N494 K500	N494-T496 PolarHBondContact O-N 3.31Å; T496-K500 VanDerWaalsContact O-CE 3.23Å; T496-K500 WeakPolarHBondContact O-CE 3.11Å; T496-K500 PolarHBondContact O-NZ 2.82Å
497	K	92.2	Very high	91.9	Very high	94 Å²	94	45.8 Å²	45.8	41%	0.409	23%	0.229	S	C	.	.	H	α-helix	trans	-97.8	-42.5	173.6	-45.9	-175.7	-167	78	0	110	I462 P493 N494 R495	I462-K497 HydrophobicContact CG2-CB 4.26Å; P493-K497 PolarHBondContact O-NZ 2.7Å; N494-K497 WeakPolarHBondContact O-CA 3.3Å; N494-K497 VanDerWaalsContact O-CB 3.27Å; N494-K497 WeakPolarHBondContact O-CB 3.28Å; N494-K497 PolarHBondContact O-N 2.82Å; N494-K497 WeakPolarHBondContact OD1-CD 2.94Å; N494-K497 WeakPolarHBondContact OD1-CE 3.32Å; N494-K497 PolarHBondContact OD1-NZ 2.91Å; R495-K497 PolarHBondContact O-N 3.06Å; R495-K497 VanDerWaalsContact O-N 3.1Å
498	L	93.4	Very high	91.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-71.8	-36.2	-179.4	-63.6	170.2	0	0	0	112.4	Y422 I462 I484 G487 I488 D491 N494 R495 K500 F501	Y422-L498 HydrophobicContact CE2-CD1 4.07Å; Y422-L498 HydrophobicContact CE2-CD2 4.31Å; I462-L498 HydrophobicContact CD1-CD2 4.3Å; I462-L498 HydrophobicContact CG1-CD2 4.17Å; I484-L498 HydrophobicContact CD1-CD2 4.41Å; G487-L498 WeakPolarHBondContact O-CD1 3.2Å; I488-L498 HydrophobicContact CD1-CB 4.16Å; I488-L498 HydrophobicContact CG1-CB 3.63Å; D491-L498 HydrophobicContact CB-CD1 4.43Å; N494-L498 HydrophobicContact CB-CD1 4.07Å; N494-L498 HydrophobicContact CB-CG 4.3Å; N494-L498 PolarHBondContact O-N 2.95Å; R495-L498 PolarHBondContact O-N 3.14Å; L498-K500 PolarHBondContact O-N 3.27Å; L498-F501 HydrophobicContact CD2-CD2 4.07Å; L498-F501 HydrophobicContact CD2-CE2 4.19Å; L498-F501 WeakPolarHBondContact O-CA 3.29Å; L498-F501 WeakPolarHBondContact O-CB 3.37Å; L498-F501 PolarHBondContact O-N 3.19Å
499	S	92.2	Very high	90.5	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.028	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.2	176.3	65.6	0	0	0	0	114.1	R495 F501 L502	R495-S499 WeakPolarHBondContact O-CB 3.4Å; R495-S499 PolarHBondContact O-N 2.77Å; R495-S499 PolarHBondContact O-OG 2.92Å; S499-F501 VanDerWaalsContact C-N 3.32Å; S499-L502 WeakPolarHBondContact O-CB 3.44Å
500	K	91.8	Very high	89.3	Confident	118 Å²	118	53.4 Å²	53.4	51%	0.513	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-15.6	174.8	-63.4	169.8	-178.1	162.8	0	113.2	T496 L498 R503	T496-K500 VanDerWaalsContact O-CE 3.23Å; T496-K500 WeakPolarHBondContact O-CE 3.11Å; T496-K500 PolarHBondContact O-NZ 2.82Å; L498-K500 PolarHBondContact O-N 3.27Å; K500-R503 PolarHBondContact O-NH1 3.06Å
501	F	93.7	Very high	88.6	Confident	17 Å²	17	57.2 Å²	57.2	8%	0.075	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-19.5	173.8	-58.3	-41.9	0	0	0	112.7	I462 I465 F473 W477 I484 L498 S499 R503	I462-F501 HydrophobicContact CG2-CE2 4.12Å; I462-F501 HydrophobicContact CG2-CZ 4.21Å; I465-F501 HydrophobicContact CB-CE1 4.44Å; I465-F501 HydrophobicContact CB-CE2 4.2Å; I465-F501 HydrophobicContact CB-CZ 4.04Å; I465-F501 HydrophobicContact CG2-CD1 3.89Å; I465-F501 HydrophobicContact CG2-CD2 3.95Å; I465-F501 HydrophobicContact CG2-CE1 3.8Å; I465-F501 HydrophobicContact CG2-CE2 3.85Å; I465-F501 HydrophobicContact CG2-CG 3.99Å; I465-F501 HydrophobicContact CG2-CZ 3.77Å; F473-F501 HydrophobicContact CE2-CB 4.27Å; F473-F501 AromaticContact CE2-CD1 3.91Å; F473-F501 HydrophobicContact CE2-CD1 3.91Å; F473-F501 HydrophobicContact CE2-CG 4.36Å; F473-F501 HydrophobicContact CZ-CB 3.9Å; F473-F501 HydrophobicContact CZ-CD1 4.3Å; F473-F501 HydrophobicContact CZ-CG 4.47Å; F473-F501 VanDerWaalsContact CZ-O 3.29Å; F473-F501 WeakPolarHBondContact CZ-O 3.26Å; W477-F501 WeakPolarHBondContact CZ3-O 3.18Å; I484-F501 HydrophobicContact CG2-CB 4.04Å; L498-F501 HydrophobicContact CD2-CD2 4.07Å; L498-F501 HydrophobicContact CD2-CE2 4.19Å; L498-F501 WeakPolarHBondContact O-CA 3.29Å; L498-F501 WeakPolarHBondContact O-CB 3.37Å; L498-F501 PolarHBondContact O-N 3.19Å; S499-F501 VanDerWaalsContact C-N 3.32Å; F501-R503 PolarHBondContact O-N 3.45Å; F501-R503 PolarHBondContact O-NH1 3.11Å
502	L	94.2	Very high	88.3	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.306	C	S	.	.			trans	-51.4	134.5	175.5	-67.9	175.1	0	0	0	112.4	W477 K485 I488 S499 F504 S515 L516 M568 L572	W477-L502 HydrophobicContact CH2-CD2 3.84Å; K485-L502 HydrophobicContact CG-CD2 4.15Å; I488-L502 HydrophobicContact CD1-CD1 3.77Å; I488-L502 HydrophobicContact CD1-CD2 3.62Å; I488-L502 HydrophobicContact CD1-CG 3.68Å; S499-L502 WeakPolarHBondContact O-CB 3.44Å; L502-F504 HydrophobicContact CB-CD2 4.44Å; L502-F504 HydrophobicContact CB-CE2 3.66Å; L502-F504 HydrophobicContact CB-CZ 3.94Å; L502-F504 HydrophobicContact CD1-CE2 3.89Å; L502-F504 HydrophobicContact CD1-CZ 3.88Å; L502-F504 HydrophobicContact CD2-CE2 4.44Å; L502-F504 HydrophobicContact CD2-CZ 3.86Å; L502-F504 HydrophobicContact CG-CE2 4.21Å; L502-F504 HydrophobicContact CG-CZ 4.11Å; L502-S515 WeakPolarHBondContact O-CA 3.38Å; L502-L516 HydrophobicContact CB-CD1 4.45Å; L502-L516 HydrophobicContact CD1-CD1 3.74Å; L502-M568 HydrophobicContact CD1-SD 3.94Å; L502-M568 HydrophobicContact CD2-SD 4.29Å; L502-L572 HydrophobicContact CD1-CD2 3.64Å
503	R	93	Very high	88.2	Confident	56 Å²	56	58.5 Å²	58.5	21%	0.211	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	125.1	172.5	-56.4	-67.6	178.1	-91.1	1.2	109.7	F473 W477 K500 F501 Q513 S514	F473-R503 HydrophobicContact CD1-CG 4.48Å; F473-R503 HydrophobicContact CE1-CG 3.75Å; W477-R503 HydrophobicContact CD2-CB 4.13Å; W477-R503 HydrophobicContact CD2-CG 4.21Å; W477-R503 HydrophobicContact CG-CB 4.26Å; W477-R503 HydrophobicContact CG-CG 4.3Å; W477-R503 HydrophobicContact CZ2-CB 4.37Å; W477-R503 WeakPolarHBondContact CZ2-O 3.46Å; W477-R503 PolarHBondContact NE1-O 3.31Å; K500-R503 PolarHBondContact O-NH1 3.06Å; F501-R503 PolarHBondContact O-N 3.45Å; F501-R503 PolarHBondContact O-NH1 3.11Å; R503-Q513 HydrophobicContact CB-CB 3.89Å; R503-S514 WeakPolarHBondContact CA-O 3.43Å
504	F	93	Very high	88.2	Confident	7 Å²	7	54.2 Å²	54.2	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	157.7	-177.4	-57.5	-69.8	0	0	0	111.7	L502 Q513 S514 L516 I558 M560 D565 M568	L502-F504 HydrophobicContact CB-CD2 4.44Å; L502-F504 HydrophobicContact CB-CE2 3.66Å; L502-F504 HydrophobicContact CB-CZ 3.94Å; L502-F504 HydrophobicContact CD1-CE2 3.89Å; L502-F504 HydrophobicContact CD1-CZ 3.88Å; L502-F504 HydrophobicContact CD2-CE2 4.44Å; L502-F504 HydrophobicContact CD2-CZ 3.86Å; L502-F504 HydrophobicContact CG-CE2 4.21Å; L502-F504 HydrophobicContact CG-CZ 4.11Å; F504-Q513 CarbonylContact O-C 3.55Å; F504-Q513 WeakPolarHBondContact O-CA 3.49Å; F504-Q513 WeakPolarHBondContact O-CB 3.27Å; F504-S514 PolarHBondContact N-O 3Å; F504-S514 PolarHBondContact O-N 2.85Å; F504-L516 HydrophobicContact CD2-CD2 3.94Å; F504-L516 HydrophobicContact CD2-CG 4.36Å; F504-L516 HydrophobicContact CE2-CD1 4.35Å; F504-L516 HydrophobicContact CE2-CD2 3.89Å; F504-L516 HydrophobicContact CE2-CG 4.09Å; F504-I558 HydrophobicContact CB-CG2 3.36Å; F504-I558 HydrophobicContact CD1-CG2 4.49Å; F504-I558 HydrophobicContact CD2-CG2 3.98Å; F504-I558 HydrophobicContact CG-CG2 3.72Å; F504-M560 HydrophobicContact CD1-CE 4.19Å; F504-M560 HydrophobicContact CD1-CG 3.86Å; F504-M560 HydrophobicContact CD2-CE 4.13Å; F504-M560 HydrophobicContact CE1-CE 3.89Å; F504-M560 HydrophobicContact CE1-CG 3.98Å; F504-M560 HydrophobicContact CE1-SD 4.31Å; F504-M560 HydrophobicContact CE2-CE 3.81Å; F504-M560 HydrophobicContact CG-CE 4.31Å; F504-M560 HydrophobicContact CZ-CE 3.69Å; F504-D565 WeakPolarHBondContact CE1-OD1 3.34Å; F504-M568 HydrophobicContact CE1-CE 4.22Å; F504-M568 HydrophobicContact CZ-CE 3.8Å
505	W	92.5	Very high	88.2	Confident	69 Å²	69	53.4 Å²	53.4	26%	0.261	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	154	168.5	-60.8	97.9	0	0	0	109.5	T510 Q513 I538 Y559 I561	W505-T510 WeakPolarHBondContact CZ3-O 3.23Å; W505-Q513 HydrophobicContact CD2-CG 3.66Å; W505-Q513 HydrophobicContact CE3-CG 4.17Å; W505-Q513 HydrophobicContact CG-CG 3.97Å; W505-Q513 HydrophobicContact CH2-CG 4.46Å; W505-Q513 HydrophobicContact CZ2-CG 3.97Å; W505-I538 HydrophobicContact CD2-CD1 3.99Å; W505-I538 HydrophobicContact CG-CD1 4.03Å; W505-I538 HydrophobicContact CZ2-CD1 4.33Å; W505-Y559 HydrophobicContact CB-CD2 4.4Å; W505-Y559 PolarHBondContact O-N 3.38Å; W505-I561 HydrophobicContact CB-CD1 4.47Å; W505-I561 HydrophobicContact CG-CD1 4.36Å
506	T	93.1	Very high	88.2	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	164.5	178	74.6	0	0	0	0	111.7	N508 S509 V557 I558 Y559	T506-N508 PolarHBondContact O-N 2.9Å; T506-N508 PolarHBondContact OG1-N 3.01Å; T506-S509 PolarHBondContact O-N 3.11Å; T506-S509 WeakPolarHBondContact OG1-CB 3.45Å; T506-S509 PolarHBondContact OG1-N 3.48Å; T506-S509 PolarHBondContact OG1-OG 3.38Å; T506-V557 CarbonylContact C-O 3.52Å; T506-V557 VanDerWaalsContact CA-O 3.23Å; T506-V557 WeakPolarHBondContact CA-O 3.48Å; T506-I558 HydrophobicContact CG2-CG1 4.5Å; T506-Y559 VanDerWaalsContact C-CE2 3.49Å
507	S	90.9	Very high	88.3	Confident	34 Å²	34	47.1 Å²	47.1	24%	0.238	24%	0.241	C	C	.	.	S	Bend	trans	-62.9	-16.9	172.3	64.6	0	0	0	0	113.9	E556 V557 Y559	S507-E556 WeakPolarHBondContact OG-CA 3.48Å; S507-V557 PolarHBondContact N-O 3.42Å; S507-V557 PolarHBondContact OG-N 2.93Å; S507-Y559 WeakPolarHBondContact CB-OH 3.02Å
508	N	84.7	Confident	88.2	Confident	104 Å²	104	46 Å²	46	56%	0.556	24%	0.239	S	C	*	.	S	Bend	trans	-98	-34.3	178.4	-166.6	6.7	0	0	0	112.4	T506 E556	T506-N508 PolarHBondContact O-N 2.9Å; T506-N508 PolarHBondContact OG1-N 3.01Å; N508-E556 HydrophobicContact CB-CG 3.83Å; N508-E556 VanDerWaalsContact CB-OE2 3.23Å; N508-E556 WeakPolarHBondContact CB-OE2 3.15Å; N508-E556 PolarHBondContact ND2-OE2 3.45Å
509	S	72.2	Confident	88.2	Confident	25 Å²	25	46 Å²	46	18%	0.175	24%	0.239	C	C	.	.			trans	-111.9	79.8	-173.4	72.3	0	0	0	0	112.3	T506 N512	T506-S509 PolarHBondContact O-N 3.11Å; T506-S509 WeakPolarHBondContact OG1-CB 3.45Å; T506-S509 PolarHBondContact OG1-N 3.48Å; T506-S509 PolarHBondContact OG1-OG 3.38Å; S509-N512 WeakPolarHBondContact CB-O 3.34Å; S509-N512 VanDerWaalsContact O-O 3.05Å; S509-N512 PolarHBondContact OG-O 3.02Å
510	T	67.1	Low	88.2	Confident	84 Å²	84	47 Å²	47	52%	0.515	25%	0.245	S	C	.	.	S	Bend	trans	-75.6	-23.8	-175	50.7	0	0	0	0	115.4	W505	W505-T510 WeakPolarHBondContact CZ3-O 3.23Å
511	E	73.6	Confident	88.1	Confident	163 Å²	163	45.8 Å²	45.8	76%	0.762	25%	0.252	S	S	*	.	S	Bend	trans	-105.5	-12.7	-178.7	-64.4	-178.5	176.4	0	0	113.6
512	N	82.4	Confident	88	Confident	73 Å²	73	49.2 Å²	49.2	39%	0.39	26%	0.264	S	S	.	.	S	Bend	trans	-140.4	130	-174	-68.3	-83.3	0	0	0	109.7	K474 S509	K474-N512 PolarHBondContact NZ-OD1 3.44Å; S509-N512 WeakPolarHBondContact CB-O 3.34Å; S509-N512 VanDerWaalsContact O-O 3.05Å; S509-N512 PolarHBondContact OG-O 3.02Å
513	Q	88.6	Confident	87.8	Confident	68 Å²	68	50.2 Å²	50.2	32%	0.318	27%	0.269	S	S	.	.			trans	-65.8	147.2	164.1	-63.5	166.3	-38	0	0	109.9	R503 F504 W505	R503-Q513 HydrophobicContact CB-CB 3.89Å; F504-Q513 CarbonylContact O-C 3.55Å; F504-Q513 WeakPolarHBondContact O-CA 3.49Å; F504-Q513 WeakPolarHBondContact O-CB 3.27Å; W505-Q513 HydrophobicContact CD2-CG 3.66Å; W505-Q513 HydrophobicContact CE3-CG 4.17Å; W505-Q513 HydrophobicContact CG-CG 3.97Å; W505-Q513 HydrophobicContact CH2-CG 4.46Å; W505-Q513 HydrophobicContact CZ2-CG 3.97Å
514	S	89.8	Confident	87.6	Confident	13 Å²	13	52 Å²	52	9%	0.091	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	159.9	176.1	77.3	0	0	0	0	111	R503 F504 R522	R503-S514 WeakPolarHBondContact CA-O 3.43Å; F504-S514 PolarHBondContact N-O 3Å; F504-S514 PolarHBondContact O-N 2.85Å; S514-R522 PolarHBondContact OG-NH2 2.9Å
515	S	91.9	Very high	87.1	Confident	9 Å²	9	60 Å²	60	6%	0.063	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	162	178.1	74.9	0	0	0	0	112.7	L502 A517 D518 Y519	L502-S515 WeakPolarHBondContact O-CA 3.38Å; S515-A517 PolarHBondContact O-N 3.18Å; S515-A517 PolarHBondContact OG-N 3.02Å; S515-D518 VanDerWaalsContact CB-OD2 3.23Å; S515-D518 WeakPolarHBondContact CB-OD2 3.11Å; S515-D518 PolarHBondContact N-OD2 2.85Å; S515-D518 PolarHBondContact O-N 3.33Å; S515-D518 PolarHBondContact OG-N 3.41Å; S515-D518 VanDerWaalsContact OG-N 3.08Å; S515-D518 PolarHBondContact OG-OD2 3.16Å; S515-Y519 PolarHBondContact O-N 3.26Å
516	L	92.2	Very high	86.5	Confident	1 Å²	1	60 Å²	60	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-58	-33.4	170.3	-64.8	179.1	0	0	0	112.1	L502 F504 Y519 V520 I558 L572 Y575	L502-L516 HydrophobicContact CB-CD1 4.45Å; L502-L516 HydrophobicContact CD1-CD1 3.74Å; F504-L516 HydrophobicContact CD2-CD2 3.94Å; F504-L516 HydrophobicContact CD2-CG 4.36Å; F504-L516 HydrophobicContact CE2-CD1 4.35Å; F504-L516 HydrophobicContact CE2-CD2 3.89Å; F504-L516 HydrophobicContact CE2-CG 4.09Å; L516-Y519 PolarHBondContact O-N 3.15Å; L516-V520 WeakPolarHBondContact O-CB 3.2Å; L516-V520 VanDerWaalsContact O-CG2 3.28Å; L516-V520 WeakPolarHBondContact O-CG2 3.13Å; L516-V520 PolarHBondContact O-N 3.45Å; L516-I558 HydrophobicContact CD2-CD1 3.59Å; L516-L572 HydrophobicContact CD1-CD2 4.39Å; L516-Y575 HydrophobicContact CB-CD1 3.83Å; L516-Y575 HydrophobicContact CB-CD2 4.04Å; L516-Y575 HydrophobicContact CB-CE1 3.58Å; L516-Y575 HydrophobicContact CB-CE2 3.79Å; L516-Y575 HydrophobicContact CB-CG 4.06Å; L516-Y575 HydrophobicContact CD1-CD1 4.47Å; L516-Y575 HydrophobicContact CD1-CD2 3.54Å; L516-Y575 HydrophobicContact CD1-CE2 3.9Å; L516-Y575 HydrophobicContact CD1-CG 3.87Å; L516-Y575 HydrophobicContact CG-CD2 4.45Å
517	A	91.4	Very high	86.3	Confident	49 Å²	49	60.5 Å²	60.5	41%	0.405	35%	0.345	S	S	.	.	H	α-helix	trans	-65.7	-40.6	172.8	0	0	0	0	0	112.4	S515 V520 S521 Y575	S515-A517 PolarHBondContact O-N 3.18Å; S515-A517 PolarHBondContact OG-N 3.02Å; A517-V520 PolarHBondContact O-N 3.18Å; A517-S521 PolarHBondContact O-N 3.49Å; A517-Y575 PolarHBondContact N-OH 3.47Å
518	D	90.9	Very high	86.1	Confident	70 Å²	70	64.1 Å²	64.1	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-67.6	-40.2	176.9	-52.5	-56.8	0	0	0	110.8	S515 S521 R522	S515-D518 VanDerWaalsContact CB-OD2 3.23Å; S515-D518 WeakPolarHBondContact CB-OD2 3.11Å; S515-D518 PolarHBondContact N-OD2 2.85Å; S515-D518 PolarHBondContact O-N 3.33Å; S515-D518 PolarHBondContact OG-N 3.41Å; S515-D518 VanDerWaalsContact OG-N 3.08Å; S515-D518 PolarHBondContact OG-OD2 3.16Å; D518-S521 PolarHBondContact O-N 3.01Å; D518-S521 PolarHBondContact O-OG 3.14Å; D518-R522 VanDerWaalsContact CB-NH1 3.32Å; D518-R522 WeakPolarHBondContact O-CG 3.26Å; D518-R522 PolarHBondContact O-N 2.77Å; D518-R522 PolarHBondContact O-NH1 3.43Å
519	Y	93	Very high	86.4	Confident	1 Å²	1	60.6 Å²	60.6	0%	0.004	34%	0.339	C	S	.	.	H	α-helix	trans	-59	-51.7	172.2	180	-82.1	0	0	0	110.8	S515 L516 S521 R522 M523 Q527 I530 Y531 E556 I558	S515-Y519 PolarHBondContact O-N 3.26Å; L516-Y519 PolarHBondContact O-N 3.15Å; Y519-S521 PolarHBondContact O-N 3.01Å; Y519-R522 CarbonylContact O-C 3.53Å; Y519-R522 WeakPolarHBondContact O-CA 3.11Å; Y519-R522 PolarHBondContact O-N 3.12Å; Y519-M523 HydrophobicContact CD1-CG 3.7Å; Y519-M523 HydrophobicContact CD1-SD 3.93Å; Y519-M523 HydrophobicContact CE1-CE 4.13Å; Y519-M523 HydrophobicContact CE1-CG 3.44Å; Y519-M523 VanDerWaalsContact CE1-CG 3.44Å; Y519-M523 HydrophobicContact CE1-SD 3.71Å; Y519-M523 WeakPolarHBondContact O-CG 3.25Å; Y519-M523 PolarHBondContact O-N 3.2Å; Y519-Q527 PolarHBondContact OH-NE2 3.12Å; Y519-I530 HydrophobicContact CD1-CG1 4.21Å; Y519-I530 HydrophobicContact CD1-CG2 4.06Å; Y519-I530 HydrophobicContact CE1-CB 4.06Å; Y519-I530 HydrophobicContact CE1-CG1 3.91Å; Y519-I530 HydrophobicContact CE1-CG2 3.7Å; Y519-Y531 PolarHBondContact OH-N 2.82Å; Y519-E556 HydrophobicContact CD2-CB 4.23Å; Y519-E556 HydrophobicContact CD2-CG 3.97Å; Y519-E556 VanDerWaalsContact CD2-OE1 3.31Å; Y519-E556 WeakPolarHBondContact CD2-OE1 3.27Å; Y519-E556 HydrophobicContact CE2-CB 3.66Å; Y519-E556 HydrophobicContact CE2-CG 3.77Å; Y519-E556 WeakPolarHBondContact CE2-O 3.32Å; Y519-E556 PolarHBondContact OH-O 3.16Å; Y519-I558 HydrophobicContact CD2-CD1 3.94Å; Y519-I558 HydrophobicContact CD2-CG1 3.64Å; Y519-I558 HydrophobicContact CE2-CD1 4.2Å; Y519-I558 HydrophobicContact CE2-CG1 3.69Å; Y519-I558 HydrophobicContact CG-CD1 4.13Å; Y519-I558 HydrophobicContact CG-CG1 4.35Å
520	V	91.9	Very high	87.4	Confident	25 Å²	25	59.4 Å²	59.4	15%	0.152	33%	0.331	C	S	.	.	H	α-helix	trans	-57.3	-35.1	178.6	168	0	0	0	0	111.9	L516 A517 R522 M523 I530 Y575 K578	L516-V520 WeakPolarHBondContact O-CB 3.2Å; L516-V520 VanDerWaalsContact O-CG2 3.28Å; L516-V520 WeakPolarHBondContact O-CG2 3.13Å; L516-V520 PolarHBondContact O-N 3.45Å; A517-V520 PolarHBondContact O-N 3.18Å; V520-R522 VanDerWaalsContact C-N 3.26Å; V520-R522 PolarHBondContact O-N 3.21Å; V520-M523 HydrophobicContact CB-SD 4.32Å; V520-M523 HydrophobicContact CG2-SD 3.93Å; V520-M523 PolarHBondContact O-N 2.75Å; V520-I530 HydrophobicContact CG2-CD1 4.02Å; V520-Y575 HydrophobicContact CG2-CD1 4.01Å; V520-Y575 HydrophobicContact CG2-CE1 4.08Å; V520-K578 HydrophobicContact CG2-CD 4.5Å
521	S	91	Very high	88.7	Confident	93 Å²	93	56 Å²	56	65%	0.65	31%	0.308	S	S	*	.	H	α-helix	trans	-68.9	-18.3	174.4	82.6	0	0	0	0	114.9	A517 D518 Y519	A517-S521 PolarHBondContact O-N 3.49Å; D518-S521 PolarHBondContact O-N 3.01Å; D518-S521 PolarHBondContact O-OG 3.14Å; Y519-S521 PolarHBondContact O-N 3.01Å
522	R	90.8	Very high	89.7	Confident	88 Å²	88	49.4 Å²	49.4	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-104.4	-8.1	178.4	-65.6	-172	-60.4	-89.4	3.3	114.2	S514 D518 Y519 V520 E556	S514-R522 PolarHBondContact OG-NH2 2.9Å; D518-R522 VanDerWaalsContact CB-NH1 3.32Å; D518-R522 WeakPolarHBondContact O-CG 3.26Å; D518-R522 PolarHBondContact O-N 2.77Å; D518-R522 PolarHBondContact O-NH1 3.43Å; Y519-R522 CarbonylContact O-C 3.53Å; Y519-R522 WeakPolarHBondContact O-CA 3.11Å; Y519-R522 PolarHBondContact O-N 3.12Å; V520-R522 VanDerWaalsContact C-N 3.26Å; V520-R522 PolarHBondContact O-N 3.21Å; R522-E556 IonicContact CZ-OE1 3.65Å; R522-E556 IonicContact CZ-OE2 3.72Å; R522-E556 IonicContact NE-OE1 3.62Å; R522-E556 PolarHBondContact NE-OE1 3.21Å; R522-E556 IonicContact NE-OE2 2.63Å; R522-E556 PolarHBondContact NE-OE2 3.4Å; R522-E556 IonicContact NH2-OE1 2.8Å; R522-E556 PolarHBondContact NH2-OE1 3.17Å; R522-E556 IonicContact NH2-OE2 3.85Å
523	M	90.2	Very high	90.2	Very high	22 Å²	22	46.2 Å²	46.2	11%	0.108	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-57.3	147	179.4	-73.6	177.5	83.2	0	0	112	Y519 V520 Q527 D529 I530 K578	Y519-M523 HydrophobicContact CD1-CG 3.7Å; Y519-M523 HydrophobicContact CD1-SD 3.93Å; Y519-M523 HydrophobicContact CE1-CE 4.13Å; Y519-M523 HydrophobicContact CE1-CG 3.44Å; Y519-M523 VanDerWaalsContact CE1-CG 3.44Å; Y519-M523 HydrophobicContact CE1-SD 3.71Å; Y519-M523 WeakPolarHBondContact O-CG 3.25Å; Y519-M523 PolarHBondContact O-N 3.2Å; V520-M523 HydrophobicContact CB-SD 4.32Å; V520-M523 HydrophobicContact CG2-SD 3.93Å; V520-M523 PolarHBondContact O-N 2.75Å; M523-Q527 HydrophobicContact CE-CB 4.27Å; M523-Q527 HydrophobicContact CE-CG 3.67Å; M523-D529 WeakPolarHBondContact CE-O 3.3Å; M523-I530 HydrophobicContact CE-CG1 3.95Å; M523-I530 HydrophobicContact SD-CG1 3.99Å; M523-K578 HydrophobicContact CE-CD 3.54Å; M523-K578 HydrophobicContact SD-CD 3.46Å; M523-K578 WeakPolarHBondContact SD-CD 3.48Å; M523-K578 PolarHBondContact SD-NZ 2.71Å
524	K	88.6	Confident	90.4	Very high	93 Å²	93	43.2 Å²	43.2	40%	0.404	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-75.3	149.1	-178.8	-71.7	-174.1	168	-177.7	0	112.1	G526 Q527 K553 G554 Y555	K524-G526 PolarHBondContact O-N 3.16Å; K524-Q527 HydrophobicContact CB-CB 4.21Å; K524-Q527 WeakPolarHBondContact O-CB 3.28Å; K524-Q527 PolarHBondContact O-N 3.42Å; K524-K553 PolarHBondContact NZ-O 2.74Å; K524-G554 WeakPolarHBondContact CE-O 3.32Å; K524-G554 PolarHBondContact NZ-O 3.31Å; K524-Y555 HydrophobicContact CD-CD1 4.4Å; K524-Y555 HydrophobicContact CD-CE1 4.4Å
525	N	82.1	Confident	90.5	Very high	175 Å²	175	42.8 Å²	42.8	94%	0.936	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	122.4	168.2	-67.2	-15.3	0	0	0	109.2
526	G	80.9	Confident	90.4	Very high	68 Å²	68	45 Å²	45	70%	0.701	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	6.3	-172.3	0	0	0	0	0	115	K524	K524-G526 PolarHBondContact O-N 3.16Å
527	Q	87.9	Confident	90.4	Very high	12 Å²	12	47.1 Å²	47.1	6%	0.056	28%	0.277	C	S	.	.			trans	-89	110.1	165.8	-171	-175.3	-14.3	0	0	109.5	Y519 M523 K524 D529 Y531 Y555	Y519-Q527 PolarHBondContact OH-NE2 3.12Å; M523-Q527 HydrophobicContact CE-CB 4.27Å; M523-Q527 HydrophobicContact CE-CG 3.67Å; K524-Q527 HydrophobicContact CB-CB 4.21Å; K524-Q527 WeakPolarHBondContact O-CB 3.28Å; K524-Q527 PolarHBondContact O-N 3.42Å; Q527-D529 WeakPolarHBondContact CG-O 3.37Å; Q527-D529 PolarHBondContact NE2-O 2.63Å; Q527-Y531 HydrophobicContact CG-CE2 4.12Å; Q527-Y555 HydrophobicContact CB-CE1 4.13Å; Q527-Y555 HydrophobicContact CG-CD1 4.12Å; Q527-Y555 HydrophobicContact CG-CE1 4.01Å
528	E	86.4	Confident	90.3	Very high	111 Å²	111	47.1 Å²	47.1	52%	0.519	27%	0.269	S	S	.	.			trans	-82.7	-51	177.1	-69.8	150.2	-140.8	0	0	110.7	K578 K592	E528-K578 WeakPolarHBondContact O-CB 3.42Å; E528-K592 IonicContact OE1-NZ 2.66Å; E528-K592 PolarHBondContact OE1-NZ 3.46Å; E528-K592 IonicContact OE2-NZ 2.78Å; E528-K592 PolarHBondContact OE2-NZ 3.49Å
529	D	91.2	Very high	90.3	Very high	30 Å²	30	47.2 Å²	47.2	16%	0.16	28%	0.28	C	S	.	.	S	Bend	trans	-89.4	150.6	-173.7	-56.5	-23.6	0	0	0	114.2	M523 Q527 Y531 R581	M523-D529 WeakPolarHBondContact CE-O 3.3Å; Q527-D529 WeakPolarHBondContact CG-O 3.37Å; Q527-D529 PolarHBondContact NE2-O 2.63Å; D529-Y531 HydrophobicContact CB-CE1 4.28Å; D529-R581 HydrophobicContact CB-CB 4.17Å; D529-R581 VanDerWaalsContact OD2-CD 3.32Å; D529-R581 WeakPolarHBondContact OD2-CD 3.19Å; D529-R581 IonicContact OD2-NH1 3.8Å; D529-R581 PolarHBondContact OD2-NH1 3.16Å
530	I	93.7	Very high	90.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	112.6	168.2	-64.8	173.8	0	0	0	108.6	Y519 V520 M523 I558 Y575 K578 K579 L580 R581	Y519-I530 HydrophobicContact CD1-CG1 4.21Å; Y519-I530 HydrophobicContact CD1-CG2 4.06Å; Y519-I530 HydrophobicContact CE1-CB 4.06Å; Y519-I530 HydrophobicContact CE1-CG1 3.91Å; Y519-I530 HydrophobicContact CE1-CG2 3.7Å; V520-I530 HydrophobicContact CG2-CD1 4.02Å; M523-I530 HydrophobicContact CE-CG1 3.95Å; M523-I530 HydrophobicContact SD-CG1 3.99Å; I530-I558 HydrophobicContact CG2-CD1 3.62Å; I530-Y575 HydrophobicContact CD1-CD1 4.25Å; I530-K578 HydrophobicContact CD1-CB 4.02Å; I530-K578 HydrophobicContact CG1-CB 3.98Å; I530-K578 HydrophobicContact CG1-CD 4.48Å; I530-K579 PolarHBondContact N-O 3.03Å; I530-L580 HydrophobicContact CB-CG 4.4Å; I530-L580 HydrophobicContact CD1-CD1 4.43Å; I530-L580 HydrophobicContact CG2-CG 4.4Å; I530-R581 PolarHBondContact O-N 2.86Å
531	Y	94.1	Very high	90.2	Very high	12 Å²	12	49 Å²	49	5%	0.047	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	129	-178.3	-60.5	-64.3	0	0	0	112	Y519 Q527 D529 L550 Y555 V557 I558 V583 I588 L590	Y519-Y531 PolarHBondContact OH-N 2.82Å; Q527-Y531 HydrophobicContact CG-CE2 4.12Å; D529-Y531 HydrophobicContact CB-CE1 4.28Å; Y531-L550 HydrophobicContact CD1-CD2 4.29Å; Y531-L550 HydrophobicContact CD2-CD2 3.79Å; Y531-L550 HydrophobicContact CE1-CD2 4.41Å; Y531-L550 HydrophobicContact CE2-CD2 3.92Å; Y531-L550 HydrophobicContact CG-CD2 3.99Å; Y531-Y555 HydrophobicContact CD2-CD1 4.32Å; Y531-Y555 HydrophobicContact CD2-CG 4.36Å; Y531-Y555 AromaticContact CE2-CD1 3.81Å; Y531-Y555 HydrophobicContact CE2-CD1 3.81Å; Y531-Y555 HydrophobicContact CE2-CE1 4.22Å; Y531-Y555 HydrophobicContact CE2-CG 4.04Å; Y531-V557 WeakPolarHBondContact O-CA 3.38Å; Y531-I558 PolarHBondContact O-N 3.23Å; Y531-V583 HydrophobicContact CD1-CG1 4.35Å; Y531-I588 HydrophobicContact CE1-CG2 3.88Å; Y531-L590 HydrophobicContact CE1-CD2 4.37Å
532	Y	94.2	Very high	90.1	Very high	25 Å²	25	49 Å²	49	10%	0.098	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	158.1	175.4	72.3	-96.6	0	0	0	112.7	T534 I558 M560 L569 L580 R581 N582 V583	Y532-T534 HydrophobicContact CD2-CG2 4.33Å; Y532-T534 HydrophobicContact CE2-CG2 4.29Å; Y532-I558 CarbonylContact C-O 3.54Å; Y532-I558 VanDerWaalsContact CA-O 3.31Å; Y532-I558 WeakPolarHBondContact CA-O 3.14Å; Y532-M560 HydrophobicContact CD2-SD 4.21Å; Y532-M560 HydrophobicContact CG-CE 4.45Å; Y532-M560 HydrophobicContact CG-SD 4.47Å; Y532-L569 HydrophobicContact CD1-CD2 4.1Å; Y532-L569 HydrophobicContact CD2-CD1 3.81Å; Y532-L569 HydrophobicContact CD2-CD2 4.41Å; Y532-L569 HydrophobicContact CE1-CD1 4.35Å; Y532-L569 HydrophobicContact CE1-CD2 3.63Å; Y532-L569 HydrophobicContact CE2-CD1 3.18Å; Y532-L569 HydrophobicContact CE2-CD2 4.02Å; Y532-L569 HydrophobicContact CE2-CG 4.18Å; Y532-L569 HydrophobicContact CG-CD2 4.46Å; Y532-L569 VanDerWaalsContact CZ-CD1 3.48Å; Y532-L580 HydrophobicContact CD1-CB 4.01Å; Y532-L580 HydrophobicContact CE1-CB 3.78Å; Y532-R581 VanDerWaalsContact CD1-C 3.47Å; Y532-R581 WeakPolarHBondContact CD1-O 3.49Å; Y532-R581 PolarHBondContact N-O 3.01Å; Y532-R581 VanDerWaalsContact N-O 3.08Å; Y532-N582 HydrophobicContact CD2-CB 4.28Å; Y532-N582 HydrophobicContact CE1-CB 4.23Å; Y532-N582 HydrophobicContact CE2-CB 3.49Å; Y532-N582 VanDerWaalsContact CE2-CB 3.49Å; Y532-N582 VanDerWaalsContact CE2-CG 3.49Å; Y532-N582 WeakPolarHBondContact CE2-ND2 3.44Å; Y532-N582 VanDerWaalsContact CZ-CB 3.5Å; Y532-N582 CarbonylContact O-C 3.56Å; Y532-N582 WeakPolarHBondContact O-CA 3.5Å; Y532-V583 WeakPolarHBondContact O-CG1 3.4Å; Y532-V583 WeakPolarHBondContact O-CG2 3.14Å; Y532-V583 PolarHBondContact O-N 3.06Å
533	L	94	Very high	90.1	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133	169.2	178.7	59.3	0	0	0	109.6	A541 S544 F546 V547 V557 I558 M560 V583 A584	L533-A541 HydrophobicContact CD2-CB 4.09Å; L533-S544 VanDerWaalsContact CD2-CB 3.46Å; L533-F546 HydrophobicContact CD1-CD2 3.96Å; L533-V547 HydrophobicContact CB-CG1 4.4Å; L533-V547 HydrophobicContact CD2-CG1 3.85Å; L533-V557 HydrophobicContact CB-CG1 4.41Å; L533-I558 PolarHBondContact N-O 3.18Å; L533-M560 PolarHBondContact O-N 2.99Å; L533-V583 HydrophobicContact CB-CG2 3.69Å; L533-V583 HydrophobicContact CD1-CG2 3.83Å; L533-V583 HydrophobicContact CD2-CG2 4.44Å; L533-V583 HydrophobicContact CG-CG2 4.18Å; L533-A584 HydrophobicContact CD1-CB 4.12Å
534	T	93	Very high	90.2	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	141	169.3	43	0	0	0	0	110.3	Y532 M560 E566 L569 N582	Y532-T534 HydrophobicContact CD2-CG2 4.33Å; Y532-T534 HydrophobicContact CE2-CG2 4.29Å; T534-M560 HydrophobicContact CG2-CB 3.71Å; T534-M560 HydrophobicContact CG2-SD 4.41Å; T534-E566 VanDerWaalsContact CB-CD 3.46Å; T534-E566 WeakPolarHBondContact CB-OE1 3.35Å; T534-E566 HydrophobicContact CG2-CG 3.91Å; T534-E566 WeakPolarHBondContact CG2-OE2 3.45Å; T534-E566 PolarHBondContact OG1-OE1 2.9Å; T534-E566 PolarHBondContact OG1-OE2 3.44Å; T534-L569 HydrophobicContact CG2-CD1 3.85Å; T534-N582 PolarHBondContact OG1-ND2 3.24Å
535	A	91.5	Very high	90.4	Very high	4 Å²	4	42.3 Å²	42.3	3%	0.033	26%	0.256	C	S	.	.			trans	-167.1	161.8	-177.3	0	0	0	0	0	110.2	S537 E540 A541 M560 I561 N648	A535-S537 PolarHBondContact O-N 3.22Å; A535-E540 HydrophobicContact CB-CB 4.41Å; A535-E540 HydrophobicContact CB-CG 4.12Å; A535-A541 HydrophobicContact CB-CB 3.9Å; A535-M560 PolarHBondContact N-O 3.41Å; A535-I561 WeakPolarHBondContact O-CA 3.37Å; A535-N648 VanDerWaalsContact CA-OD1 3.25Å; A535-N648 WeakPolarHBondContact CA-OD1 3.4Å
536	A	90	Very high	90.9	Very high	55 Å²	55	34.1 Å²	34.1	46%	0.455	21%	0.212	S	C	.	.	S	Bend	trans	-70.3	-19.1	175.7	0	0	0	0	0	113.2	E540 N648	A536-E540 WeakPolarHBondContact CA-OE2 2.96Å; A536-E540 WeakPolarHBondContact CB-OE2 3.22Å; A536-E540 PolarHBondContact N-OE2 3.08Å; A536-N648 PolarHBondContact N-OD1 2.84Å
537	S	90.9	Very high	91.4	Very high	46 Å²	46	31 Å²	31	32%	0.322	18%	0.18	S	C	.	.			trans	-148.7	155	178.3	74.7	0	0	0	0	116	A535 A539 E540 A541	A535-S537 PolarHBondContact O-N 3.22Å; S537-A539 PolarHBondContact O-N 2.84Å; S537-E540 PolarHBondContact N-OE2 3.18Å; S537-E540 PolarHBondContact O-N 3.46Å; S537-E540 WeakPolarHBondContact OG-CB 3.23Å; S537-E540 PolarHBondContact OG-N 3.28Å; S537-A541 WeakPolarHBondContact O-CB 3.34Å; S537-A541 PolarHBondContact O-N 2.76Å
538	I	90.3	Very high	91.6	Very high	49 Å²	49	31.8 Å²	31.8	25%	0.251	18%	0.183	S	C	.	.	H	α-helix	trans	-58.4	-30.5	170.9	-60.4	174.5	0	0	0	111.6	W505 K542 I561	W505-I538 HydrophobicContact CD2-CD1 3.99Å; W505-I538 HydrophobicContact CG-CD1 4.03Å; W505-I538 HydrophobicContact CZ2-CD1 4.33Å; I538-K542 HydrophobicContact CG2-CD 3.96Å; I538-K542 VanDerWaalsContact CG2-CE 3.4Å; I538-K542 WeakPolarHBondContact O-CB 3.46Å; I538-K542 WeakPolarHBondContact O-CD 3.49Å; I538-K542 WeakPolarHBondContact O-CG 3.47Å; I538-K542 PolarHBondContact O-N 3.35Å; I538-I561 HydrophobicContact CD1-CD1 4.4Å; I538-I561 HydrophobicContact CG1-CD1 3.62Å; I538-I561 HydrophobicContact CG1-CG1 3.8Å
539	A	91	Very high	91.8	Very high	73 Å²	73	29.4 Å²	29.4	60%	0.603	17%	0.169	S	C	*	.	H	α-helix	trans	-73.4	-48.3	179.6	0	0	0	0	0	111.2	S537 K542 S543	S537-A539 PolarHBondContact O-N 2.84Å; A539-K542 PolarHBondContact O-N 2.77Å; A539-S543 WeakPolarHBondContact O-CB 3.27Å; A539-S543 PolarHBondContact O-N 2.91Å
540	E	90.8	Very high	91.8	Very high	64 Å²	64	28 Å²	28	30%	0.299	16%	0.162	S	C	.	.	H	α-helix	trans	-56.8	-54.1	173.6	179.5	-175	-164.1	0	0	111.3	A535 A536 S537 K542 S543 S544	A535-E540 HydrophobicContact CB-CB 4.41Å; A535-E540 HydrophobicContact CB-CG 4.12Å; A536-E540 WeakPolarHBondContact CA-OE2 2.96Å; A536-E540 WeakPolarHBondContact CB-OE2 3.22Å; A536-E540 PolarHBondContact N-OE2 3.08Å; S537-E540 PolarHBondContact N-OE2 3.18Å; S537-E540 PolarHBondContact O-N 3.46Å; S537-E540 WeakPolarHBondContact OG-CB 3.23Å; S537-E540 PolarHBondContact OG-N 3.28Å; E540-K542 VanDerWaalsContact C-N 3.31Å; E540-K542 PolarHBondContact O-N 3.05Å; E540-S543 CarbonylContact O-C 3.43Å; E540-S543 WeakPolarHBondContact O-CA 2.81Å; E540-S543 WeakPolarHBondContact O-CB 2.85Å; E540-S543 PolarHBondContact O-N 3.33Å; E540-S543 PolarHBondContact O-OG 3.22Å; E540-S544 PolarHBondContact O-N 2.97Å
541	A	90.9	Very high	91.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.4	-40	-179.6	0	0	0	0	0	113.1	L533 A535 S537 S543 S544 Y559	L533-A541 HydrophobicContact CD2-CB 4.09Å; A535-A541 HydrophobicContact CB-CB 3.9Å; S537-A541 WeakPolarHBondContact O-CB 3.34Å; S537-A541 PolarHBondContact O-N 2.76Å; A541-S543 VanDerWaalsContact C-N 3.33Å; A541-S544 WeakPolarHBondContact O-CB 2.89Å; A541-S544 PolarHBondContact O-N 3.37Å; A541-Y559 HydrophobicContact CB-CD1 3.63Å; A541-Y559 HydrophobicContact CB-CE1 4.15Å; A541-Y559 HydrophobicContact CB-CG 4.14Å
542	K	90.5	Very high	91.4	Very high	91 Å²	91	36.7 Å²	36.7	40%	0.396	20%	0.203	S	C	.	.	H	α-helix	trans	-70.9	-26.5	173.8	-74.6	170.9	-176.4	167.1	0	113.2	I538 A539 E540 Y559	I538-K542 HydrophobicContact CG2-CD 3.96Å; I538-K542 VanDerWaalsContact CG2-CE 3.4Å; I538-K542 WeakPolarHBondContact O-CB 3.46Å; I538-K542 WeakPolarHBondContact O-CD 3.49Å; I538-K542 WeakPolarHBondContact O-CG 3.47Å; I538-K542 PolarHBondContact O-N 3.35Å; A539-K542 PolarHBondContact O-N 2.77Å; E540-K542 VanDerWaalsContact C-N 3.31Å; E540-K542 PolarHBondContact O-N 3.05Å; K542-Y559 HydrophobicContact CG-CD2 4.49Å; K542-Y559 HydrophobicContact CG-CE2 3.74Å
543	S	90.1	Very high	91.1	Very high	52 Å²	52	37.9 Å²	37.9	36%	0.364	21%	0.208	S	C	.	.	H	α-helix	trans	-84.8	-15.9	176.5	88.5	0	0	0	0	113.4	A539 E540 A541 R715	A539-S543 WeakPolarHBondContact O-CB 3.27Å; A539-S543 PolarHBondContact O-N 2.91Å; E540-S543 CarbonylContact O-C 3.43Å; E540-S543 WeakPolarHBondContact O-CA 2.81Å; E540-S543 WeakPolarHBondContact O-CB 2.85Å; E540-S543 PolarHBondContact O-N 3.33Å; E540-S543 PolarHBondContact O-OG 3.22Å; A541-S543 VanDerWaalsContact C-N 3.33Å; S543-R715 PolarHBondContact O-NH2 3.27Å; S543-R715 PolarHBondContact OG-NH1 3.3Å; S543-R715 VanDerWaalsContact OG-NH1 3.13Å
544	S	92.5	Very high	90.7	Very high	11 Å²	11	39.5 Å²	39.5	8%	0.077	23%	0.226	C	C	.	.			trans	-57.9	139.5	-168	172.6	0	0	0	0	112.5	L533 E540 A541 F546 V547	L533-S544 VanDerWaalsContact CD2-CB 3.46Å; E540-S544 PolarHBondContact O-N 2.97Å; A541-S544 WeakPolarHBondContact O-CB 2.89Å; A541-S544 PolarHBondContact O-N 3.37Å; S544-F546 PolarHBondContact O-N 3.13Å; S544-F546 WeakPolarHBondContact OG-CD2 3.3Å; S544-F546 PolarHBondContact OG-N 3.32Å; S544-V547 WeakPolarHBondContact O-CG2 3.46Å
545	P	91.9	Very high	90.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-62.9	-25.5	176.9	28.4	-36.2	0	0	0	112.9	V547 E548 L631 T634 A637 R715	P545-V547 PolarHBondContact O-N 3.45Å; P545-E548 WeakPolarHBondContact O-CG 3.28Å; P545-L631 HydrophobicContact CB-CD2 3.65Å; P545-T634 HydrophobicContact CB-CG2 3.98Å; P545-A637 HydrophobicContact CB-CB 4.21Å; P545-A637 HydrophobicContact CG-CB 3.96Å; P545-R715 WeakPolarHBondContact CD-O 3.3Å; P545-R715 WeakPolarHBondContact CG-O 3.27Å
546	F	93	Very high	90.7	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.018	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-68.2	-35	-175.7	-50.9	-44.6	0	0	0	113.5	L533 S544 V583 A584 R630 A637 L638 V639	L533-F546 HydrophobicContact CD1-CD2 3.96Å; S544-F546 PolarHBondContact O-N 3.13Å; S544-F546 WeakPolarHBondContact OG-CD2 3.3Å; S544-F546 PolarHBondContact OG-N 3.32Å; F546-V583 HydrophobicContact CB-CB 4.28Å; F546-V583 HydrophobicContact CB-CG2 3.74Å; F546-A584 HydrophobicContact CD2-CB 3.69Å; F546-A584 HydrophobicContact CE2-CB 3.47Å; F546-A584 VanDerWaalsContact CE2-CB 3.47Å; F546-A584 HydrophobicContact CG-CB 4.48Å; F546-A584 HydrophobicContact CZ-CB 4.08Å; F546-R630 HydrophobicContact CD1-CG 4.44Å; F546-A637 HydrophobicContact CD1-CB 4.49Å; F546-A637 HydrophobicContact CE1-CB 3.95Å; F546-L638 VanDerWaalsContact CE1-O 3.23Å; F546-L638 WeakPolarHBondContact CE1-O 3.4Å; F546-L638 VanDerWaalsContact CZ-O 3.24Å; F546-L638 WeakPolarHBondContact CZ-O 3.47Å; F546-V639 HydrophobicContact CE1-CG2 4.17Å
547	V	92.4	Very high	90.8	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.018	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-84.9	-9.9	-174.1	-61.6	0	0	0	0	113.7	L533 S544 P545 R549 L550 I551 V557 Y559 V583	L533-V547 HydrophobicContact CB-CG1 4.4Å; L533-V547 HydrophobicContact CD2-CG1 3.85Å; S544-V547 WeakPolarHBondContact O-CG2 3.46Å; P545-V547 PolarHBondContact O-N 3.45Å; V547-R549 PolarHBondContact O-N 2.93Å; V547-L550 PolarHBondContact O-N 2.99Å; V547-I551 HydrophobicContact CB-CD1 3.83Å; V547-I551 HydrophobicContact CB-CG1 4.32Å; V547-I551 HydrophobicContact CG2-CD1 3.75Å; V547-I551 WeakPolarHBondContact O-CB 3.24Å; V547-I551 VanDerWaalsContact O-CG1 3.3Å; V547-I551 WeakPolarHBondContact O-CG1 3.35Å; V547-I551 PolarHBondContact O-N 2.79Å; V547-V557 HydrophobicContact CG1-CB 4.48Å; V547-V557 HydrophobicContact CG1-CG1 3.98Å; V547-V557 HydrophobicContact CG1-CG2 4.43Å; V547-Y559 HydrophobicContact CG1-CE1 4.38Å; V547-V583 HydrophobicContact CG1-CG2 4.13Å
548	E	91.6	Very high	91	Very high	27 Å²	27	37.2 Å²	37.2	13%	0.126	20%	0.199	C	C	.	.	H	α-helix	trans	-58.1	-53.4	-171.2	-64.4	-177.3	172.7	0	0	113.8	P545 K552 S632 N633 T634	P545-E548 WeakPolarHBondContact O-CG 3.28Å; E548-K552 WeakPolarHBondContact O-CB 3.23Å; E548-K552 VanDerWaalsContact O-CG 3.29Å; E548-K552 WeakPolarHBondContact O-CG 3.48Å; E548-K552 PolarHBondContact O-N 3.05Å; E548-S632 WeakPolarHBondContact CB-OG 3.5Å; E548-S632 WeakPolarHBondContact OE2-CA 3.38Å; E548-S632 WeakPolarHBondContact OE2-CB 3.48Å; E548-S632 PolarHBondContact OE2-N 3.16Å; E548-S632 PolarHBondContact OE2-OG 2.78Å; E548-N633 PolarHBondContact OE2-N 2.8Å; E548-T634 WeakPolarHBondContact OE1-CB 3.04Å; E548-T634 PolarHBondContact OE1-N 2.82Å; E548-T634 VanDerWaalsContact OE1-N 3.13Å; E548-T634 PolarHBondContact OE1-OG1 3.13Å
549	R	89.8	Confident	91.2	Very high	61 Å²	61	35.2 Å²	35.2	23%	0.23	19%	0.188	C	C	.	.	H	α-helix	trans	-77.6	-28.4	-177	-172	151.1	154.2	-147.6	-7.9	111.9	V547 K552 K553 D591 S628 E629 R630	V547-R549 PolarHBondContact O-N 2.93Å; R549-K552 PolarHBondContact O-N 3.46Å; R549-K553 WeakPolarHBondContact O-CB 3.46Å; R549-K553 WeakPolarHBondContact O-CG 3.36Å; R549-K553 PolarHBondContact O-N 2.83Å; R549-D591 IonicContact CZ-OD2 2.07Å; R549-D591 IonicContact NH2-OD2 2.66Å; R549-D591 PolarHBondContact NH2-OD2 3.21Å; R549-S628 PolarHBondContact NH1-O 3.33Å; R549-E629 WeakPolarHBondContact CD-O 3.22Å; R549-E629 WeakPolarHBondContact CG-O 3.18Å; R549-E629 VanDerWaalsContact CZ-O 3.23Å; R549-E629 PolarHBondContact NE-O 2.91Å; R549-E629 PolarHBondContact NH1-O 2.73Å; R549-E629 VanDerWaalsContact NH1-O 3.13Å; R549-R630 WeakPolarHBondContact CB-O 3.36Å; R549-R630 PolarHBondContact N-O 3.17Å; R549-R630 VanDerWaalsContact N-O 3.08Å
550	L	91.2	Very high	91.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.3	-53.9	169.4	-81	160	0	0	0	111	Y531 V547 K552 K553 G554 Y555 V557 V583 L590	Y531-L550 HydrophobicContact CD1-CD2 4.29Å; Y531-L550 HydrophobicContact CD2-CD2 3.79Å; Y531-L550 HydrophobicContact CE1-CD2 4.41Å; Y531-L550 HydrophobicContact CE2-CD2 3.92Å; Y531-L550 HydrophobicContact CG-CD2 3.99Å; V547-L550 PolarHBondContact O-N 2.99Å; L550-K552 PolarHBondContact O-N 2.82Å; L550-K553 CarbonylContact O-C 3.55Å; L550-K553 PolarHBondContact O-N 3.4Å; L550-G554 PolarHBondContact O-N 2.93Å; L550-Y555 HydrophobicContact CD2-CD2 3.92Å; L550-Y555 HydrophobicContact CD2-CG 4.06Å; L550-Y555 PolarHBondContact O-N 3.41Å; L550-V557 HydrophobicContact CB-CG2 3.95Å; L550-V557 HydrophobicContact CD1-CG2 4.05Å; L550-V557 HydrophobicContact CG-CG2 4.47Å; L550-V583 HydrophobicContact CD1-CB 3.99Å; L550-V583 HydrophobicContact CD1-CG1 3.4Å; L550-L590 HydrophobicContact CD2-CD1 4.29Å; L550-L590 HydrophobicContact CD2-CD2 3.61Å; L550-L590 HydrophobicContact CG-CD1 4.14Å; L550-L590 HydrophobicContact CG-CD2 4.33Å
551	I	91.4	Very high	91.4	Very high	73 Å²	73	30.5 Å²	30.5	37%	0.374	15%	0.154	S	C	.	.	H	α-helix	trans	-64.3	-38.7	178.2	-66.7	170.1	0	0	0	111.1	V547 K553 G554	V547-I551 HydrophobicContact CB-CD1 3.83Å; V547-I551 HydrophobicContact CB-CG1 4.32Å; V547-I551 HydrophobicContact CG2-CD1 3.75Å; V547-I551 WeakPolarHBondContact O-CB 3.24Å; V547-I551 VanDerWaalsContact O-CG1 3.3Å; V547-I551 WeakPolarHBondContact O-CG1 3.35Å; V547-I551 PolarHBondContact O-N 2.79Å; I551-K553 VanDerWaalsContact C-N 3.33Å; I551-K553 PolarHBondContact O-N 2.67Å; I551-G554 VanDerWaalsContact O-CA 3.29Å; I551-G554 WeakPolarHBondContact O-CA 3.07Å; I551-G554 PolarHBondContact O-N 2.66Å
552	K	89.2	Confident	91.4	Very high	123 Å²	123	33.5 Å²	33.5	54%	0.535	17%	0.17	S	C	.	.	H	α-helix	trans	-66.6	-30	174.8	-76.4	172.9	178.2	177.2	0	114	E548 R549 L550 S632 N633	E548-K552 WeakPolarHBondContact O-CB 3.23Å; E548-K552 VanDerWaalsContact O-CG 3.29Å; E548-K552 WeakPolarHBondContact O-CG 3.48Å; E548-K552 PolarHBondContact O-N 3.05Å; R549-K552 PolarHBondContact O-N 3.46Å; L550-K552 PolarHBondContact O-N 2.82Å; K552-S632 WeakPolarHBondContact CD-OG 3.06Å; K552-S632 WeakPolarHBondContact CE-OG 3.43Å; K552-S632 PolarHBondContact NZ-OG 2.69Å; K552-N633 VanDerWaalsContact NZ-CG 3.33Å; K552-N633 PolarHBondContact NZ-OD1 2.74Å
553	K	86.2	Confident	91.4	Very high	49 Å²	49	32.8 Å²	32.8	21%	0.213	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-6.7	166.8	-72.3	-179.7	179.6	-177.8	0	112.7	K524 R549 L550 I551 Y555 L590 D591	K524-K553 PolarHBondContact NZ-O 2.74Å; R549-K553 WeakPolarHBondContact O-CB 3.46Å; R549-K553 WeakPolarHBondContact O-CG 3.36Å; R549-K553 PolarHBondContact O-N 2.83Å; L550-K553 CarbonylContact O-C 3.55Å; L550-K553 PolarHBondContact O-N 3.4Å; I551-K553 VanDerWaalsContact C-N 3.33Å; I551-K553 PolarHBondContact O-N 2.67Å; K553-Y555 VanDerWaalsContact C-N 3.32Å; K553-Y555 HydrophobicContact CB-CD2 3.68Å; K553-Y555 HydrophobicContact CB-CE2 3.86Å; K553-Y555 HydrophobicContact CD-CD2 4.29Å; K553-Y555 HydrophobicContact CD-CE2 3.88Å; K553-L590 HydrophobicContact CD-CB 4.37Å; K553-L590 PolarHBondContact NZ-O 3.28Å; K553-D591 VanDerWaalsContact CE-OD1 3.25Å; K553-D591 WeakPolarHBondContact CE-OD1 3.46Å; K553-D591 WeakPolarHBondContact CE-OD2 3.47Å; K553-D591 IonicContact NZ-OD1 2.73Å; K553-D591 PolarHBondContact NZ-OD1 3.33Å; K553-D591 IonicContact NZ-OD2 3.46Å; K553-D591 PolarHBondContact NZ-OD2 3.07Å
554	G	86.8	Confident	91.4	Very high	40 Å²	40	31.3 Å²	31.3	41%	0.412	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	31.7	-176.5	0	0	0	0	0	113.3	K524 L550 I551	K524-G554 WeakPolarHBondContact CE-O 3.32Å; K524-G554 PolarHBondContact NZ-O 3.31Å; L550-G554 PolarHBondContact O-N 2.93Å; I551-G554 VanDerWaalsContact O-CA 3.29Å; I551-G554 WeakPolarHBondContact O-CA 3.07Å; I551-G554 PolarHBondContact O-N 2.66Å
555	Y	91	Very high	91.4	Very high	43 Å²	43	31 Å²	31	17%	0.169	16%	0.161	C	C	.	.			trans	-72.4	138.3	161.4	-71.7	-74.2	0	0	0	108.6	K524 Q527 Y531 L550 K553	K524-Y555 HydrophobicContact CD-CD1 4.4Å; K524-Y555 HydrophobicContact CD-CE1 4.4Å; Q527-Y555 HydrophobicContact CB-CE1 4.13Å; Q527-Y555 HydrophobicContact CG-CD1 4.12Å; Q527-Y555 HydrophobicContact CG-CE1 4.01Å; Y531-Y555 HydrophobicContact CD2-CD1 4.32Å; Y531-Y555 HydrophobicContact CD2-CG 4.36Å; Y531-Y555 AromaticContact CE2-CD1 3.81Å; Y531-Y555 HydrophobicContact CE2-CD1 3.81Å; Y531-Y555 HydrophobicContact CE2-CE1 4.22Å; Y531-Y555 HydrophobicContact CE2-CG 4.04Å; L550-Y555 HydrophobicContact CD2-CD2 3.92Å; L550-Y555 HydrophobicContact CD2-CG 4.06Å; L550-Y555 PolarHBondContact O-N 3.41Å; K553-Y555 VanDerWaalsContact C-N 3.32Å; K553-Y555 HydrophobicContact CB-CD2 3.68Å; K553-Y555 HydrophobicContact CB-CE2 3.86Å; K553-Y555 HydrophobicContact CD-CD2 4.29Å; K553-Y555 HydrophobicContact CD-CE2 3.88Å
556	E	92.7	Very high	91.3	Very high	16 Å²	16	31.5 Å²	31.5	8%	0.075	16%	0.164	C	C	.	.			trans	-78.3	134.4	171.8	-164.5	171.6	124.8	0	0	108.6	S507 N508 Y519 R522	S507-E556 WeakPolarHBondContact OG-CA 3.48Å; N508-E556 HydrophobicContact CB-CG 3.83Å; N508-E556 VanDerWaalsContact CB-OE2 3.23Å; N508-E556 WeakPolarHBondContact CB-OE2 3.15Å; N508-E556 PolarHBondContact ND2-OE2 3.45Å; Y519-E556 HydrophobicContact CD2-CB 4.23Å; Y519-E556 HydrophobicContact CD2-CG 3.97Å; Y519-E556 VanDerWaalsContact CD2-OE1 3.31Å; Y519-E556 WeakPolarHBondContact CD2-OE1 3.27Å; Y519-E556 HydrophobicContact CE2-CB 3.66Å; Y519-E556 HydrophobicContact CE2-CG 3.77Å; Y519-E556 WeakPolarHBondContact CE2-O 3.32Å; Y519-E556 PolarHBondContact OH-O 3.16Å; R522-E556 IonicContact CZ-OE1 3.65Å; R522-E556 IonicContact CZ-OE2 3.72Å; R522-E556 IonicContact NE-OE1 3.62Å; R522-E556 PolarHBondContact NE-OE1 3.21Å; R522-E556 IonicContact NE-OE2 2.63Å; R522-E556 PolarHBondContact NE-OE2 3.4Å; R522-E556 IonicContact NH2-OE1 2.8Å; R522-E556 PolarHBondContact NH2-OE1 3.17Å; R522-E556 IonicContact NH2-OE2 3.85Å
557	V	93.6	Very high	91.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.			trans	-119.6	134.4	177.5	-176.5	0	0	0	0	107.9	T506 S507 Y531 L533 V547 L550 V583	T506-V557 CarbonylContact C-O 3.52Å; T506-V557 VanDerWaalsContact CA-O 3.23Å; T506-V557 WeakPolarHBondContact CA-O 3.48Å; S507-V557 PolarHBondContact N-O 3.42Å; S507-V557 PolarHBondContact OG-N 2.93Å; Y531-V557 WeakPolarHBondContact O-CA 3.38Å; L533-V557 HydrophobicContact CB-CG1 4.41Å; V547-V557 HydrophobicContact CG1-CB 4.48Å; V547-V557 HydrophobicContact CG1-CG1 3.98Å; V547-V557 HydrophobicContact CG1-CG2 4.43Å; L550-V557 HydrophobicContact CB-CG2 3.95Å; L550-V557 HydrophobicContact CD1-CG2 4.05Å; L550-V557 HydrophobicContact CG-CG2 4.47Å; V557-V583 HydrophobicContact CG1-CG1 4.44Å
558	I	94.8	Very high	91.1	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	134.7	174.2	-57.9	-178.1	0	0	0	108.8	F504 T506 L516 Y519 I530 Y531 Y532 L533 M560	F504-I558 HydrophobicContact CB-CG2 3.36Å; F504-I558 HydrophobicContact CD1-CG2 4.49Å; F504-I558 HydrophobicContact CD2-CG2 3.98Å; F504-I558 HydrophobicContact CG-CG2 3.72Å; T506-I558 HydrophobicContact CG2-CG1 4.5Å; L516-I558 HydrophobicContact CD2-CD1 3.59Å; Y519-I558 HydrophobicContact CD2-CD1 3.94Å; Y519-I558 HydrophobicContact CD2-CG1 3.64Å; Y519-I558 HydrophobicContact CE2-CD1 4.2Å; Y519-I558 HydrophobicContact CE2-CG1 3.69Å; Y519-I558 HydrophobicContact CG-CD1 4.13Å; Y519-I558 HydrophobicContact CG-CG1 4.35Å; I530-I558 HydrophobicContact CG2-CD1 3.62Å; Y531-I558 PolarHBondContact O-N 3.23Å; Y532-I558 CarbonylContact C-O 3.54Å; Y532-I558 VanDerWaalsContact CA-O 3.31Å; Y532-I558 WeakPolarHBondContact CA-O 3.14Å; L533-I558 PolarHBondContact N-O 3.18Å; I558-M560 HydrophobicContact CG2-CE 3.93Å; I558-M560 HydrophobicContact CG2-CG 4.24Å
559	Y	94.4	Very high	90.9	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.027	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.2	171.5	-53.4	-55.4	0	0	0	109.4	W505 T506 S507 A541 K542 V547 I561	W505-Y559 HydrophobicContact CB-CD2 4.4Å; W505-Y559 PolarHBondContact O-N 3.38Å; T506-Y559 VanDerWaalsContact C-CE2 3.49Å; S507-Y559 WeakPolarHBondContact CB-OH 3.02Å; A541-Y559 HydrophobicContact CB-CD1 3.63Å; A541-Y559 HydrophobicContact CB-CE1 4.15Å; A541-Y559 HydrophobicContact CB-CG 4.14Å; K542-Y559 HydrophobicContact CG-CD2 4.49Å; K542-Y559 HydrophobicContact CG-CE2 3.74Å; V547-Y559 HydrophobicContact CG1-CE1 4.38Å; Y559-I561 WeakPolarHBondContact O-CD1 3.47Å
560	M	93.2	Very high	90.7	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138.1	175.7	-71.8	179	-171.2	0	0	108.4	F504 Y532 L533 T534 A535 I558 D565 M568 L569	F504-M560 HydrophobicContact CD1-CE 4.19Å; F504-M560 HydrophobicContact CD1-CG 3.86Å; F504-M560 HydrophobicContact CD2-CE 4.13Å; F504-M560 HydrophobicContact CE1-CE 3.89Å; F504-M560 HydrophobicContact CE1-CG 3.98Å; F504-M560 HydrophobicContact CE1-SD 4.31Å; F504-M560 HydrophobicContact CE2-CE 3.81Å; F504-M560 HydrophobicContact CG-CE 4.31Å; F504-M560 HydrophobicContact CZ-CE 3.69Å; Y532-M560 HydrophobicContact CD2-SD 4.21Å; Y532-M560 HydrophobicContact CG-CE 4.45Å; Y532-M560 HydrophobicContact CG-SD 4.47Å; L533-M560 PolarHBondContact O-N 2.99Å; T534-M560 HydrophobicContact CG2-CB 3.71Å; T534-M560 HydrophobicContact CG2-SD 4.41Å; A535-M560 PolarHBondContact N-O 3.41Å; I558-M560 HydrophobicContact CG2-CE 3.93Å; I558-M560 HydrophobicContact CG2-CG 4.24Å; M560-D565 HydrophobicContact CB-CB 3.73Å; M560-D565 HydrophobicContact CG-CB 4.16Å; M560-D565 HydrophobicContact SD-CB 4.17Å; M560-M568 HydrophobicContact CE-CE 4.43Å; M560-M568 HydrophobicContact SD-CE 4.31Å; M560-L569 HydrophobicContact CE-CD2 4.08Å; M560-L569 HydrophobicContact SD-CD1 3.6Å; M560-L569 VanDerWaalsContact SD-CD1 3.6Å; M560-L569 HydrophobicContact SD-CD2 4.03Å; M560-L569 HydrophobicContact SD-CG 3.97Å
561	I	91.7	Very high	90.5	Very high	37 Å²	37	34.6 Å²	34.6	19%	0.19	18%	0.182	C	C	.	.			trans	-140.9	-26.4	-161.9	-59.1	103.8	0	0	0	112.9	W505 A535 I538 Y559 D565	W505-I561 HydrophobicContact CB-CD1 4.47Å; W505-I561 HydrophobicContact CG-CD1 4.36Å; A535-I561 WeakPolarHBondContact O-CA 3.37Å; I538-I561 HydrophobicContact CD1-CD1 4.4Å; I538-I561 HydrophobicContact CG1-CD1 3.62Å; I538-I561 HydrophobicContact CG1-CG1 3.8Å; Y559-I561 WeakPolarHBondContact O-CD1 3.47Å; I561-D565 PolarHBondContact N-OD2 2.92Å; I561-D565 VanDerWaalsContact N-OD2 3.12Å
562	D	91.1	Very high	90.4	Very high	62 Å²	62	31.5 Å²	31.5	33%	0.332	17%	0.166	S	C	.	.	S	Bend	trans	-85.1	137.5	178.9	-47.8	-28.6	0	0	0	107.5	K485 V564 D565	K485-D562 IonicContact NZ-OD2 2.77Å; K485-D562 PolarHBondContact NZ-OD2 3.36Å; D562-V564 HydrophobicContact CB-CG1 3.99Å; D562-V564 PolarHBondContact O-N 3.15Å; D562-V564 VanDerWaalsContact O-N 3.13Å; D562-D565 PolarHBondContact N-OD2 3.11Å; D562-D565 WeakPolarHBondContact O-CB 3.27Å; D562-D565 PolarHBondContact O-N 2.81Å
563	P	90.4	Very high	90.2	Very high	77 Å²	77	30.1 Å²	30.1	50%	0.5	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-39.4	-176.1	-31	36.7	0	0	0	114.3	D565 E566 I652	P563-D565 PolarHBondContact O-N 3.13Å; P563-E566 PolarHBondContact O-N 2.77Å; P563-E566 VanDerWaalsContact O-N 3.1Å; P563-I652 HydrophobicContact CB-CD1 3.83Å; P563-I652 HydrophobicContact CB-CG1 4.23Å
564	V	90.4	Very high	90.4	Very high	21 Å²	21	32.7 Å²	32.7	13%	0.127	18%	0.181	C	C	.	.	H	α-helix	trans	-58.1	-11.3	173.5	65.2	0	0	0	0	114.5	V482 K485 L486 D562 M568	V482-V564 HydrophobicContact CG1-CG1 4.35Å; V482-V564 HydrophobicContact CG2-CG1 4.37Å; K485-V564 HydrophobicContact CB-CG1 4.32Å; K485-V564 HydrophobicContact CB-CG2 3.9Å; K485-V564 HydrophobicContact CD-CG1 3.65Å; L486-V564 HydrophobicContact CD2-CG2 3.98Å; L486-V564 HydrophobicContact CG-CG2 4.32Å; D562-V564 HydrophobicContact CB-CG1 3.99Å; D562-V564 PolarHBondContact O-N 3.15Å; D562-V564 VanDerWaalsContact O-N 3.13Å; V564-M568 WeakPolarHBondContact O-CB 3.47Å; V564-M568 PolarHBondContact O-N 2.94Å
565	D	92.6	Very high	90.6	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-68.3	-36.3	171.4	-75.5	-37.7	0	0	0	112.9	K485 F504 M560 I561 D562 P563 M568 L569	K485-D565 WeakPolarHBondContact CD-OD1 3.42Å; K485-D565 WeakPolarHBondContact CE-OD1 3.44Å; K485-D565 IonicContact NZ-OD1 2.09Å; K485-D565 PolarHBondContact NZ-OD1 2.68Å; K485-D565 IonicContact NZ-OD2 2.07Å; K485-D565 PolarHBondContact NZ-OD2 2.93Å; K485-D565 VanDerWaalsContact NZ-OD2 3.12Å; F504-D565 WeakPolarHBondContact CE1-OD1 3.34Å; M560-D565 HydrophobicContact CB-CB 3.73Å; M560-D565 HydrophobicContact CG-CB 4.16Å; M560-D565 HydrophobicContact SD-CB 4.17Å; I561-D565 PolarHBondContact N-OD2 2.92Å; I561-D565 VanDerWaalsContact N-OD2 3.12Å; D562-D565 PolarHBondContact N-OD2 3.11Å; D562-D565 WeakPolarHBondContact O-CB 3.27Å; D562-D565 PolarHBondContact O-N 2.81Å; P563-D565 PolarHBondContact O-N 3.13Å; D565-M568 HydrophobicContact CB-CE 4.45Å; D565-L569 WeakPolarHBondContact O-CD1 3.31Å; D565-L569 VanDerWaalsContact O-CG 3.24Å; D565-L569 WeakPolarHBondContact O-CG 3.33Å; D565-L569 PolarHBondContact O-N 2.94Å; D565-L569 VanDerWaalsContact O-N 3.13Å
566	E	89.8	Confident	90.5	Very high	10 Å²	10	35.1 Å²	35.1	5%	0.047	19%	0.186	C	C	.	.	H	α-helix	trans	-68.6	-47.7	-179.8	-67.4	-88.7	-152.2	0	0	111	T534 P563 M568 L569 Q570 S646 N648 M649 I652	T534-E566 VanDerWaalsContact CB-CD 3.46Å; T534-E566 WeakPolarHBondContact CB-OE1 3.35Å; T534-E566 HydrophobicContact CG2-CG 3.91Å; T534-E566 WeakPolarHBondContact CG2-OE2 3.45Å; T534-E566 PolarHBondContact OG1-OE1 2.9Å; T534-E566 PolarHBondContact OG1-OE2 3.44Å; P563-E566 PolarHBondContact O-N 2.77Å; P563-E566 VanDerWaalsContact O-N 3.1Å; E566-M568 VanDerWaalsContact C-N 3.32Å; E566-M568 PolarHBondContact O-N 2.96Å; E566-L569 WeakPolarHBondContact O-CB 3.38Å; E566-L569 PolarHBondContact O-N 3.28Å; E566-Q570 PolarHBondContact O-N 2.83Å; E566-S646 PolarHBondContact OE1-OG 3.27Å; E566-N648 WeakPolarHBondContact CG-ND2 3.38Å; E566-N648 PolarHBondContact OE1-ND2 2.98Å; E566-M649 HydrophobicContact CB-CE 4.1Å; E566-M649 HydrophobicContact CB-SD 3.43Å; E566-M649 WeakPolarHBondContact CB-SD 3.2Å; E566-M649 HydrophobicContact CG-SD 3.99Å; E566-I652 HydrophobicContact CG-CD1 4.21Å
567	Y	88.5	Confident	90.2	Very high	32 Å²	32	43 Å²	43	13%	0.125	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-39.7	175	-55.1	-88.9	0	0	0	112.6	L569 Q570 S571 M649 I652 M653 Q656 L2141	Y567-L569 PolarHBondContact O-N 2.68Å; Y567-Q570 WeakPolarHBondContact O-CB 3.2Å; Y567-Q570 PolarHBondContact O-N 2.84Å; Y567-S571 PolarHBondContact O-N 2.84Å; Y567-M649 HydrophobicContact CD1-CE 4.48Å; Y567-I652 HydrophobicContact CE2-CG2 3.89Å; Y567-I652 WeakPolarHBondContact OH-CG2 3.5Å; Y567-M653 HydrophobicContact CE1-CE 4.03Å; Y567-M653 HydrophobicContact CE1-SD 4.27Å; Y567-M653 PolarHBondContact OH-SD 3.23Å; Y567-Q656 PolarHBondContact OH-NE2 3.49Å; Y567-L2141 HydrophobicContact CE1-CD1 4.04Å
568	M	92.2	Very high	90.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.4	-23	175.8	-179.4	-82.2	-40.6	0	0	112.7	K485 I488 L502 F504 M560 V564 D565 E566 L572	K485-M568 HydrophobicContact CB-CB 4.37Å; K485-M568 HydrophobicContact CB-CG 4.15Å; K485-M568 HydrophobicContact CG-CG 4.42Å; I488-M568 HydrophobicContact CB-CG 4.16Å; I488-M568 HydrophobicContact CG2-CG 3.79Å; I488-M568 HydrophobicContact CG2-SD 4.23Å; L502-M568 HydrophobicContact CD1-SD 3.94Å; L502-M568 HydrophobicContact CD2-SD 4.29Å; F504-M568 HydrophobicContact CE1-CE 4.22Å; F504-M568 HydrophobicContact CZ-CE 3.8Å; M560-M568 HydrophobicContact CE-CE 4.43Å; M560-M568 HydrophobicContact SD-CE 4.31Å; V564-M568 WeakPolarHBondContact O-CB 3.47Å; V564-M568 PolarHBondContact O-N 2.94Å; D565-M568 HydrophobicContact CB-CE 4.45Å; E566-M568 VanDerWaalsContact C-N 3.32Å; E566-M568 PolarHBondContact O-N 2.96Å; M568-L572 WeakPolarHBondContact O-CB 3.45Å; M568-L572 PolarHBondContact O-N 2.92Å; M568-L572 VanDerWaalsContact O-N 3.15Å; M568-L572 HydrophobicContact SD-CB 4.32Å; M568-L572 HydrophobicContact SD-CD2 3.84Å
569	L	88.9	Confident	89.9	Confident	10 Å²	10	52.4 Å²	52.4	5%	0.052	26%	0.261	C	S	.	.	H	α-helix	trans	-79.5	-35.3	174.6	-75.3	160.3	0	0	0	113.7	Y532 T534 M560 D565 E566 Y567 S571 L572 L580	Y532-L569 HydrophobicContact CD1-CD2 4.1Å; Y532-L569 HydrophobicContact CD2-CD1 3.81Å; Y532-L569 HydrophobicContact CD2-CD2 4.41Å; Y532-L569 HydrophobicContact CE1-CD1 4.35Å; Y532-L569 HydrophobicContact CE1-CD2 3.63Å; Y532-L569 HydrophobicContact CE2-CD1 3.18Å; Y532-L569 HydrophobicContact CE2-CD2 4.02Å; Y532-L569 HydrophobicContact CE2-CG 4.18Å; Y532-L569 HydrophobicContact CG-CD2 4.46Å; Y532-L569 VanDerWaalsContact CZ-CD1 3.48Å; T534-L569 HydrophobicContact CG2-CD1 3.85Å; M560-L569 HydrophobicContact CE-CD2 4.08Å; M560-L569 HydrophobicContact SD-CD1 3.6Å; M560-L569 VanDerWaalsContact SD-CD1 3.6Å; M560-L569 HydrophobicContact SD-CD2 4.03Å; M560-L569 HydrophobicContact SD-CG 3.97Å; D565-L569 WeakPolarHBondContact O-CD1 3.31Å; D565-L569 VanDerWaalsContact O-CG 3.24Å; D565-L569 WeakPolarHBondContact O-CG 3.33Å; D565-L569 PolarHBondContact O-N 2.94Å; D565-L569 VanDerWaalsContact O-N 3.13Å; E566-L569 WeakPolarHBondContact O-CB 3.38Å; E566-L569 PolarHBondContact O-N 3.28Å; Y567-L569 PolarHBondContact O-N 2.68Å; L569-S571 PolarHBondContact O-N 2.96Å; L569-L572 CarbonylContact O-C 3.44Å; L569-L572 PolarHBondContact O-N 3.27Å; L569-L580 HydrophobicContact CD2-CB 4.45Å; L569-L580 HydrophobicContact CD2-CD2 3.71Å
570	Q	85.4	Confident	89.8	Confident	94 Å²	94	53.1 Å²	53.1	44%	0.439	27%	0.265	S	S	.	.	H	α-helix	trans	-54.2	-48.3	168.9	-67.2	166	-50.2	0	0	109.1	E566 Y567 L572	E566-Q570 PolarHBondContact O-N 2.83Å; Y567-Q570 WeakPolarHBondContact O-CB 3.2Å; Y567-Q570 PolarHBondContact O-N 2.84Å; Q570-L572 VanDerWaalsContact C-N 3.32Å; Q570-L572 PolarHBondContact O-N 3.48Å
571	S	86.2	Confident	89.7	Confident	24 Å²	24	56.1 Å²	56.1	17%	0.168	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-13.2	176.4	-70.1	0	0	0	0	115.5	R495 Y567 L569	R495-S571 WeakPolarHBondContact CD-O 3.38Å; R495-S571 PolarHBondContact NH1-O 3.29Å; Y567-S571 PolarHBondContact O-N 2.84Å; L569-S571 PolarHBondContact O-N 2.96Å
572	L	89.4	Confident	89.7	Confident	8 Å²	8	54.7 Å²	54.7	4%	0.042	27%	0.269	C	S	.	.			trans	-130.5	64.9	-172.4	-167.8	65.7	0	0	0	113	I488 R495 L502 L516 M568 L569 Q570 E574	I488-L572 HydrophobicContact CG2-CB 4.27Å; R495-L572 HydrophobicContact CG-CD1 4.22Å; L502-L572 HydrophobicContact CD1-CD2 3.64Å; L516-L572 HydrophobicContact CD1-CD2 4.39Å; M568-L572 WeakPolarHBondContact O-CB 3.45Å; M568-L572 PolarHBondContact O-N 2.92Å; M568-L572 VanDerWaalsContact O-N 3.15Å; M568-L572 HydrophobicContact SD-CB 4.32Å; M568-L572 HydrophobicContact SD-CD2 3.84Å; L569-L572 CarbonylContact O-C 3.44Å; L569-L572 PolarHBondContact O-N 3.27Å; Q570-L572 VanDerWaalsContact C-N 3.32Å; Q570-L572 PolarHBondContact O-N 3.48Å; L572-E574 PolarHBondContact O-N 3.49Å
573	T	85.9	Confident	89.8	Confident	95 Å²	95	51.7 Å²	51.7	58%	0.583	25%	0.253	S	S	*	.			trans	-64.7	-32.3	-178.9	57.9	0	0	0	0	114.8	L580	T573-L580 PolarHBondContact O-N 2.91Å
574	E	90	Very high	89.9	Confident	102 Å²	102	48.4 Å²	48.4	48%	0.477	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.8	175.5	69.6	146.2	-130.2	0	0	115.6	L572 K577 K578	L572-E574 PolarHBondContact O-N 3.49Å; E574-K577 WeakPolarHBondContact OE2-CA 3.32Å; E574-K578 WeakPolarHBondContact CA-O 3.45Å
575	Y	91.5	Very high	89.8	Confident	22 Å²	22	49.8 Å²	49.8	9%	0.086	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	125.6	171.4	-178.2	-86	0	0	0	110.6	L516 A517 V520 I530 K577 K578	L516-Y575 HydrophobicContact CB-CD1 3.83Å; L516-Y575 HydrophobicContact CB-CD2 4.04Å; L516-Y575 HydrophobicContact CB-CE1 3.58Å; L516-Y575 HydrophobicContact CB-CE2 3.79Å; L516-Y575 HydrophobicContact CB-CG 4.06Å; L516-Y575 HydrophobicContact CD1-CD1 4.47Å; L516-Y575 HydrophobicContact CD1-CD2 3.54Å; L516-Y575 HydrophobicContact CD1-CE2 3.9Å; L516-Y575 HydrophobicContact CD1-CG 3.87Å; L516-Y575 HydrophobicContact CG-CD2 4.45Å; A517-Y575 PolarHBondContact N-OH 3.47Å; V520-Y575 HydrophobicContact CG2-CD1 4.01Å; V520-Y575 HydrophobicContact CG2-CE1 4.08Å; I530-Y575 HydrophobicContact CD1-CD1 4.25Å; Y575-K577 PolarHBondContact O-N 2.92Å; Y575-K578 PolarHBondContact N-O 3.06Å; Y575-K578 WeakPolarHBondContact O-CB 3.45Å; Y575-K578 PolarHBondContact O-N 2.93Å
576	D	88.4	Confident	89.4	Confident	113 Å²	113	50 Å²	50	60%	0.604	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	40.6	-177.7	-157.9	34.2	0	0	0	113.4	K578	D576-K578 VanDerWaalsContact C-N 3.29Å; D576-K578 PolarHBondContact O-N 3.01Å
577	K	86.1	Confident	89	Confident	182 Å²	182	53.4 Å²	53.4	79%	0.791	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	26.3	-175.9	-48.5	-171	179.5	-163.4	0	115.2	E574 Y575	E574-K577 WeakPolarHBondContact OE2-CA 3.32Å; Y575-K577 PolarHBondContact O-N 2.92Å
578	K	90.8	Very high	88.7	Confident	49 Å²	49	52 Å²	52	21%	0.213	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.8	175	-52	-164.9	-172.6	-166.9	0	108.7	V520 M523 E528 I530 E574 Y575 D576	V520-K578 HydrophobicContact CG2-CD 4.5Å; M523-K578 HydrophobicContact CE-CD 3.54Å; M523-K578 HydrophobicContact SD-CD 3.46Å; M523-K578 WeakPolarHBondContact SD-CD 3.48Å; M523-K578 PolarHBondContact SD-NZ 2.71Å; E528-K578 WeakPolarHBondContact O-CB 3.42Å; I530-K578 HydrophobicContact CD1-CB 4.02Å; I530-K578 HydrophobicContact CG1-CB 3.98Å; I530-K578 HydrophobicContact CG1-CD 4.48Å; E574-K578 WeakPolarHBondContact CA-O 3.45Å; Y575-K578 PolarHBondContact N-O 3.06Å; Y575-K578 WeakPolarHBondContact O-CB 3.45Å; Y575-K578 PolarHBondContact O-N 2.93Å; D576-K578 VanDerWaalsContact C-N 3.29Å; D576-K578 PolarHBondContact O-N 3.01Å
579	K	91.8	Very high	88	Confident	150 Å²	150	57.3 Å²	57.3	65%	0.652	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	138.7	177.1	-66.1	-163.3	171.4	-157.4	0	109.8	I530	I530-K579 PolarHBondContact N-O 3.03Å
580	L	92.3	Very high	87.5	Confident	21 Å²	21	57 Å²	57	11%	0.11	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	130.2	167.3	-77	76	0	0	0	107.4	I530 Y532 L569 T573	I530-L580 HydrophobicContact CB-CG 4.4Å; I530-L580 HydrophobicContact CD1-CD1 4.43Å; I530-L580 HydrophobicContact CG2-CG 4.4Å; Y532-L580 HydrophobicContact CD1-CB 4.01Å; Y532-L580 HydrophobicContact CE1-CB 3.78Å; L569-L580 HydrophobicContact CD2-CB 4.45Å; L569-L580 HydrophobicContact CD2-CD2 3.71Å; T573-L580 PolarHBondContact O-N 2.91Å
581	R	90.5	Very high	86.8	Confident	65 Å²	65	55.3 Å²	55.3	25%	0.245	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	116.4	-175.7	-164.9	167.7	-166.6	178.9	3.6	111.8	D529 I530 Y532 T587 E642	D529-R581 HydrophobicContact CB-CB 4.17Å; D529-R581 VanDerWaalsContact OD2-CD 3.32Å; D529-R581 WeakPolarHBondContact OD2-CD 3.19Å; D529-R581 IonicContact OD2-NH1 3.8Å; D529-R581 PolarHBondContact OD2-NH1 3.16Å; I530-R581 PolarHBondContact O-N 2.86Å; Y532-R581 VanDerWaalsContact CD1-C 3.47Å; Y532-R581 WeakPolarHBondContact CD1-O 3.49Å; Y532-R581 PolarHBondContact N-O 3.01Å; Y532-R581 VanDerWaalsContact N-O 3.08Å; R581-T587 PolarHBondContact NH2-O 3.35Å; R581-E642 IonicContact NH2-OE1 3.22Å
582	N	92.2	Very high	86.2	Confident	7 Å²	7	59.6 Å²	59.6	4%	0.037	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	134.9	173.8	-160.2	-36.7	0	0	0	109.1	Y532 T534 A584 K585	Y532-N582 HydrophobicContact CD2-CB 4.28Å; Y532-N582 HydrophobicContact CE1-CB 4.23Å; Y532-N582 HydrophobicContact CE2-CB 3.49Å; Y532-N582 VanDerWaalsContact CE2-CB 3.49Å; Y532-N582 VanDerWaalsContact CE2-CG 3.49Å; Y532-N582 WeakPolarHBondContact CE2-ND2 3.44Å; Y532-N582 VanDerWaalsContact CZ-CB 3.5Å; Y532-N582 CarbonylContact O-C 3.56Å; Y532-N582 WeakPolarHBondContact O-CA 3.5Å; T534-N582 PolarHBondContact OG1-ND2 3.24Å; N582-A584 VanDerWaalsContact C-N 3.29Å; N582-A584 WeakPolarHBondContact OD1-CB 3.4Å; N582-A584 PolarHBondContact OD1-N 3.09Å; N582-K585 HydrophobicContact CB-CB 4.31Å; N582-K585 HydrophobicContact CB-CG 4.21Å
583	V	92.3	Very high	85.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-81.6	-10.2	177.4	-55.6	0	0	0	0	113.3	Y531 Y532 L533 F546 V547 L550 V557 I588 R630	Y531-V583 HydrophobicContact CD1-CG1 4.35Å; Y532-V583 WeakPolarHBondContact O-CG1 3.4Å; Y532-V583 WeakPolarHBondContact O-CG2 3.14Å; Y532-V583 PolarHBondContact O-N 3.06Å; L533-V583 HydrophobicContact CB-CG2 3.69Å; L533-V583 HydrophobicContact CD1-CG2 3.83Å; L533-V583 HydrophobicContact CD2-CG2 4.44Å; L533-V583 HydrophobicContact CG-CG2 4.18Å; F546-V583 HydrophobicContact CB-CB 4.28Å; F546-V583 HydrophobicContact CB-CG2 3.74Å; V547-V583 HydrophobicContact CG1-CG2 4.13Å; L550-V583 HydrophobicContact CD1-CB 3.99Å; L550-V583 HydrophobicContact CD1-CG1 3.4Å; V557-V583 HydrophobicContact CG1-CG1 4.44Å; V583-I588 HydrophobicContact CB-CD1 4.17Å; V583-I588 HydrophobicContact CG1-CD1 4.46Å; V583-R630 PolarHBondContact O-NH1 3.25Å
584	A	91.7	Very high	85.2	Confident	7 Å²	7	63.3 Å²	63.3	6%	0.058	31%	0.306	C	S	.	.	S	Bend	trans	-95.4	-15.9	177.4	0	0	0	0	0	114.4	L533 F546 N582 V639 A640	L533-A584 HydrophobicContact CD1-CB 4.12Å; F546-A584 HydrophobicContact CD2-CB 3.69Å; F546-A584 HydrophobicContact CE2-CB 3.47Å; F546-A584 VanDerWaalsContact CE2-CB 3.47Å; F546-A584 HydrophobicContact CG-CB 4.48Å; F546-A584 HydrophobicContact CZ-CB 4.08Å; N582-A584 VanDerWaalsContact C-N 3.29Å; N582-A584 WeakPolarHBondContact OD1-CB 3.4Å; N582-A584 PolarHBondContact OD1-N 3.09Å; A584-V639 VanDerWaalsContact O-CG1 3.27Å; A584-V639 WeakPolarHBondContact O-CG1 3.18Å; A584-A640 PolarHBondContact O-N 3.23Å
585	K	89.5	Confident	84.7	Confident	51 Å²	51	66.1 Å²	66.1	22%	0.222	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-99.3	154.7	171.6	-60.1	-154.4	-178.9	-168.4	0	111	N582 R630 A640 N641 F643 G644	N582-K585 HydrophobicContact CB-CB 4.31Å; N582-K585 HydrophobicContact CB-CG 4.21Å; K585-R630 PolarHBondContact O-NH1 3.32Å; K585-A640 HydrophobicContact CG-CB 4.05Å; K585-N641 WeakPolarHBondContact CB-O 3.38Å; K585-F643 PolarHBondContact NZ-O 2.83Å; K585-G644 WeakPolarHBondContact CD-O 3.42Å; K585-G644 WeakPolarHBondContact CE-O 3.43Å; K585-G644 PolarHBondContact NZ-O 2.74Å
586	G	84.5	Confident	84	Confident	7 Å²	7	66.4 Å²	66.4	7%	0.072	33%	0.326	C	S	.	.	S	Bend	trans	66	-178.2	157.3	0	0	0	0	0	119.6	R630 A640 E642	G586-R630 PolarHBondContact O-NH1 2.92Å; G586-R630 PolarHBondContact O-NH2 2.86Å; G586-A640 PolarHBondContact N-O 3.3Å; G586-E642 VanDerWaalsContact CA-OE1 3.26Å; G586-E642 WeakPolarHBondContact CA-OE1 3.47Å
587	T	81.5	Confident	83.6	Confident	83 Å²	83	65 Å²	65	51%	0.509	31%	0.314	S	S	.	.			trans	-99.7	100.5	-173.2	-57.2	0	0	0	0	112.4	R581 E589 E642	R581-T587 PolarHBondContact NH2-O 3.35Å; T587-E589 PolarHBondContact O-N 3.18Å; T587-E642 PolarHBondContact N-OE1 3.03Å
588	I	82.2	Confident	83.4	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.015	30%	0.297	C	S	.	.			trans	-89.7	108.1	-174.8	-42.2	173	0	0	0	111.6	Y531 V583 L590	Y531-I588 HydrophobicContact CE1-CG2 3.88Å; V583-I588 HydrophobicContact CB-CD1 4.17Å; V583-I588 HydrophobicContact CG1-CD1 4.46Å; I588-L590 HydrophobicContact CB-CG 4.42Å; I588-L590 HydrophobicContact CG2-CD2 3.51Å; I588-L590 HydrophobicContact CG2-CG 3.84Å; I588-L590 PolarHBondContact O-N 2.95Å
589	E	77.6	Confident	83.1	Confident	110 Å²	110	64.9 Å²	64.9	51%	0.514	32%	0.315	S	S	.	.			trans	-73.5	105.5	168.6	-65.6	-164.6	157.5	0	0	110.8	T587	T587-E589 PolarHBondContact O-N 3.18Å
590	L	77.4	Confident	82.6	Confident	5 Å²	5	60.6 Å²	60.6	3%	0.026	30%	0.297	C	S	.	.			trans	-103.1	-10.2	-178.2	-64.6	178.4	0	0	0	113.7	Y531 L550 K553 I588 E629	Y531-L590 HydrophobicContact CE1-CD2 4.37Å; L550-L590 HydrophobicContact CD2-CD1 4.29Å; L550-L590 HydrophobicContact CD2-CD2 3.61Å; L550-L590 HydrophobicContact CG-CD1 4.14Å; L550-L590 HydrophobicContact CG-CD2 4.33Å; K553-L590 HydrophobicContact CD-CB 4.37Å; K553-L590 PolarHBondContact NZ-O 3.28Å; I588-L590 HydrophobicContact CB-CG 4.42Å; I588-L590 HydrophobicContact CG2-CD2 3.51Å; I588-L590 HydrophobicContact CG2-CG 3.84Å; I588-L590 PolarHBondContact O-N 2.95Å; L590-E629 PolarHBondContact N-OE2 3.12Å
591	D	71.7	Confident	82.3	Confident	57 Å²	57	63.8 Å²	63.8	31%	0.305	31%	0.311	S	S	.	.			trans	-133.4	84.1	176.7	-67.1	-51.7	0	0	0	111.1	R549 K553 S593 A596	R549-D591 IonicContact CZ-OD2 2.07Å; R549-D591 IonicContact NH2-OD2 2.66Å; R549-D591 PolarHBondContact NH2-OD2 3.21Å; K553-D591 VanDerWaalsContact CE-OD1 3.25Å; K553-D591 WeakPolarHBondContact CE-OD1 3.46Å; K553-D591 WeakPolarHBondContact CE-OD2 3.47Å; K553-D591 IonicContact NZ-OD1 2.73Å; K553-D591 PolarHBondContact NZ-OD1 3.33Å; K553-D591 IonicContact NZ-OD2 3.46Å; K553-D591 PolarHBondContact NZ-OD2 3.07Å; D591-S593 PolarHBondContact O-N 3.42Å; D591-A596 HydrophobicContact CB-CB 3.35Å
592	K	72.1	Confident	82.2	Confident	115 Å²	115	66.6 Å²	66.6	50%	0.5	33%	0.327	S	S	.	.			trans	-66	17.1	175.7	-61	-170.6	-179.4	-175.3	0	115	E528	E528-K592 IonicContact OE1-NZ 2.66Å; E528-K592 PolarHBondContact OE1-NZ 3.46Å; E528-K592 IonicContact OE2-NZ 2.78Å; E528-K592 PolarHBondContact OE2-NZ 3.49Å
593	S	76.4	Confident	82	Confident	60 Å²	60	68.4 Å²	68.4	42%	0.42	34%	0.337	S	S	.	.			trans	-90.5	136.5	-179.9	-178.4	0	0	0	0	111.7	D591 E595 A596 K597	D591-S593 PolarHBondContact O-N 3.42Å; S593-E595 PolarHBondContact O-N 3.45Å; S593-A596 WeakPolarHBondContact O-CA 3.07Å; S593-A596 WeakPolarHBondContact O-CB 3.4Å; S593-A596 PolarHBondContact O-N 2.81Å; S593-K597 PolarHBondContact O-N 3.28Å
594	E	78.7	Confident	81.8	Confident	120 Å²	120	71.8 Å²	71.8	56%	0.561	35%	0.352	S	S	*	.	H	α-helix	trans	-59.9	-30.6	177.6	-56.3	-52.8	122.4	0	0	113	A596 K597 T598	E594-A596 VanDerWaalsContact C-N 3.28Å; E594-A596 PolarHBondContact O-N 2.83Å; E594-K597 PolarHBondContact O-N 2.68Å; E594-K597 WeakPolarHBondContact OE1-CE 3.15Å; E594-K597 IonicContact OE1-NZ 2.77Å; E594-K597 PolarHBondContact OE1-NZ 2.86Å; E594-K597 IonicContact OE2-NZ 3.65Å; E594-T598 WeakPolarHBondContact O-CB 3.2Å; E594-T598 WeakPolarHBondContact O-CG2 3.33Å; E594-T598 PolarHBondContact O-N 3.06Å; E594-T598 PolarHBondContact O-OG1 2.83Å
595	E	79	Confident	81.6	Confident	161 Å²	161	78 Å²	78	75%	0.752	38%	0.378	S	S	*	.	H	α-helix	trans	-67.8	-27.2	173.1	-65.6	-177.1	175.9	0	0	112.8	S593 T598 R599	S593-E595 PolarHBondContact O-N 3.45Å; E595-T598 PolarHBondContact O-OG1 2.98Å; E595-R599 VanDerWaalsContact O-CB 3.25Å; E595-R599 WeakPolarHBondContact O-CB 3.48Å; E595-R599 PolarHBondContact O-N 2.63Å
596	A	77	Confident	81.5	Confident	29 Å²	29	79.6 Å²	79.6	24%	0.24	39%	0.386	C	S	.	.	H	α-helix	trans	-84.2	-38.8	177	0	0	0	0	0	111.4	D591 S593 E594 K600	D591-A596 HydrophobicContact CB-CB 3.35Å; S593-A596 WeakPolarHBondContact O-CA 3.07Å; S593-A596 WeakPolarHBondContact O-CB 3.4Å; S593-A596 PolarHBondContact O-N 2.81Å; E594-A596 VanDerWaalsContact C-N 3.28Å; E594-A596 PolarHBondContact O-N 2.83Å; A596-K600 WeakPolarHBondContact O-CB 3.37Å; A596-K600 PolarHBondContact O-N 3.37Å
597	K	79.6	Confident	81.9	Confident	83 Å²	83	79.3 Å²	79.3	36%	0.361	38%	0.383	S	S	.	.	H	α-helix	trans	-61.3	-53.9	173.7	-65.4	176.1	-174.4	170.2	0	111.9	S593 E594 R599 K600 E601	S593-K597 PolarHBondContact O-N 3.28Å; E594-K597 PolarHBondContact O-N 2.68Å; E594-K597 WeakPolarHBondContact OE1-CE 3.15Å; E594-K597 IonicContact OE1-NZ 2.77Å; E594-K597 PolarHBondContact OE1-NZ 2.86Å; E594-K597 IonicContact OE2-NZ 3.65Å; K597-R599 VanDerWaalsContact C-N 3.29Å; K597-R599 PolarHBondContact O-N 3.47Å; K597-K600 WeakPolarHBondContact O-CA 3.4Å; K597-K600 WeakPolarHBondContact O-CB 3.3Å; K597-K600 PolarHBondContact O-N 2.63Å; K597-E601 PolarHBondContact O-N 2.85Å
598	T	83.7	Confident	82.3	Confident	69 Å²	69	80.7 Å²	80.7	42%	0.423	38%	0.382	S	S	.	.	H	α-helix	trans	-57.6	-42.7	178.5	46	0	0	0	0	111.7	E594 E595 K600 E601 E602	E594-T598 WeakPolarHBondContact O-CB 3.2Å; E594-T598 WeakPolarHBondContact O-CG2 3.33Å; E594-T598 PolarHBondContact O-N 3.06Å; E594-T598 PolarHBondContact O-OG1 2.83Å; E595-T598 PolarHBondContact O-OG1 2.98Å; T598-K600 PolarHBondContact O-N 3.16Å; T598-E601 PolarHBondContact O-N 3.15Å; T598-E602 WeakPolarHBondContact O-CG 3.07Å; T598-E602 PolarHBondContact O-N 2.9Å
599	R	82.6	Confident	82.6	Confident	159 Å²	159	82.9 Å²	82.9	60%	0.6	40%	0.396	S	S	*	.	H	α-helix	trans	-65.8	-32.6	173.7	-170.6	177.8	-166.2	148.3	15.5	114.2	E595 K597 L603	E595-R599 VanDerWaalsContact O-CB 3.25Å; E595-R599 WeakPolarHBondContact O-CB 3.48Å; E595-R599 PolarHBondContact O-N 2.63Å; K597-R599 VanDerWaalsContact C-N 3.29Å; K597-R599 PolarHBondContact O-N 3.47Å; R599-L603 HydrophobicContact CG-CD1 4.43Å; R599-L603 WeakPolarHBondContact O-CG 3.01Å; R599-L603 PolarHBondContact O-N 3.42Å; R599-L603 VanDerWaalsContact O-N 3.15Å
600	K	82.8	Confident	83.2	Confident	61 Å²	61	77.6 Å²	77.6	27%	0.265	37%	0.372	S	S	.	.	H	α-helix	trans	-66	-49.6	173.3	-179.1	-179.4	179.1	177.5	0	109.5	A596 K597 T598 E602 L603 E604 E629	A596-K600 WeakPolarHBondContact O-CB 3.37Å; A596-K600 PolarHBondContact O-N 3.37Å; K597-K600 WeakPolarHBondContact O-CA 3.4Å; K597-K600 WeakPolarHBondContact O-CB 3.3Å; K597-K600 PolarHBondContact O-N 2.63Å; T598-K600 PolarHBondContact O-N 3.16Å; K600-E602 VanDerWaalsContact C-N 3.33Å; K600-E602 PolarHBondContact O-N 3.13Å; K600-L603 PolarHBondContact O-N 2.96Å; K600-L603 VanDerWaalsContact O-N 3.13Å; K600-E604 WeakPolarHBondContact CE-OE1 3.11Å; K600-E604 HydrophobicContact CG-CG 4.44Å; K600-E604 WeakPolarHBondContact CG-OE1 3.03Å; K600-E604 WeakPolarHBondContact O-CG 3.06Å; K600-E604 PolarHBondContact O-N 2.76Å; K600-E629 IonicContact NZ-OE1 2.07Å; K600-E629 PolarHBondContact NZ-OE1 3.29Å
601	E	85.4	Confident	83.8	Confident	88 Å²	88	78.4 Å²	78.4	41%	0.411	38%	0.376	S	S	.	.	H	α-helix	trans	-59.4	-39.5	175.7	-63.7	176.5	-141	0	0	113.1	K597 T598 E604 K605	K597-E601 PolarHBondContact O-N 2.85Å; T598-E601 PolarHBondContact O-N 3.15Å; E601-E604 PolarHBondContact O-N 3.48Å; E601-K605 WeakPolarHBondContact O-CB 3.1Å; E601-K605 WeakPolarHBondContact O-CD 3.46Å; E601-K605 WeakPolarHBondContact O-CE 3.5Å; E601-K605 WeakPolarHBondContact O-CG 3.3Å; E601-K605 PolarHBondContact O-N 2.75Å; E601-K605 IonicContact OE2-NZ 3.1Å; E601-K605 PolarHBondContact OE2-NZ 2.9Å
602	E	87.7	Confident	84.7	Confident	124 Å²	124	79.9 Å²	79.9	58%	0.579	38%	0.381	S	S	*	.	H	α-helix	trans	-59.2	-45.7	174.2	-77.5	174.1	171.2	0	0	111.7	T598 K600 K605 E606	T598-E602 WeakPolarHBondContact O-CG 3.07Å; T598-E602 PolarHBondContact O-N 2.9Å; K600-E602 VanDerWaalsContact C-N 3.33Å; K600-E602 PolarHBondContact O-N 3.13Å; E602-K605 PolarHBondContact O-N 2.76Å; E602-E606 PolarHBondContact O-N 2.82Å
603	L	88.2	Confident	85.5	Confident	45 Å²	45	74.9 Å²	74.9	24%	0.236	36%	0.359	C	S	.	.	H	α-helix	trans	-69.6	-39	177.4	-69.7	168.7	0	0	0	111.4	R599 K600 K605 E606 F607 L627 P680	R599-L603 HydrophobicContact CG-CD1 4.43Å; R599-L603 WeakPolarHBondContact O-CG 3.01Å; R599-L603 PolarHBondContact O-N 3.42Å; R599-L603 VanDerWaalsContact O-N 3.15Å; K600-L603 PolarHBondContact O-N 2.96Å; K600-L603 VanDerWaalsContact O-N 3.13Å; L603-K605 VanDerWaalsContact C-N 3.28Å; L603-K605 PolarHBondContact O-N 3.14Å; L603-E606 PolarHBondContact O-N 3.36Å; L603-E606 VanDerWaalsContact O-N 3.12Å; L603-F607 HydrophobicContact CD2-CE2 4.27Å; L603-F607 WeakPolarHBondContact O-CB 3.36Å; L603-F607 WeakPolarHBondContact O-CD2 3.29Å; L603-F607 PolarHBondContact O-N 2.94Å; L603-L627 HydrophobicContact CB-CD1 3.6Å; L603-P680 HydrophobicContact CD1-CG 4.19Å; L603-P680 HydrophobicContact CD2-CB 4.43Å
604	E	87.7	Confident	86.2	Confident	71 Å²	71	72 Å²	72	33%	0.332	34%	0.339	S	S	.	.	H	α-helix	trans	-59.9	-41.6	174.3	-73.5	170.5	175.2	0	0	110.3	K600 E601 F607 K608 L627	K600-E604 WeakPolarHBondContact CE-OE1 3.11Å; K600-E604 HydrophobicContact CG-CG 4.44Å; K600-E604 WeakPolarHBondContact CG-OE1 3.03Å; K600-E604 WeakPolarHBondContact O-CG 3.06Å; K600-E604 PolarHBondContact O-N 2.76Å; E601-E604 PolarHBondContact O-N 3.48Å; E604-F607 PolarHBondContact O-N 3.32Å; E604-K608 WeakPolarHBondContact O-CA 3.34Å; E604-K608 WeakPolarHBondContact O-CB 3.5Å; E604-K608 PolarHBondContact O-N 2.91Å; E604-L627 HydrophobicContact CB-CD1 4.38Å; E604-L627 HydrophobicContact CG-CB 4.3Å; E604-L627 HydrophobicContact CG-CD1 3.76Å; E604-L627 HydrophobicContact CG-CG 3.94Å
605	K	88.3	Confident	86.7	Confident	136 Å²	136	70.6 Å²	70.6	59%	0.591	33%	0.331	S	S	*	.	H	α-helix	trans	-64.5	-38.9	172.2	-66.3	155.2	-161.4	162.5	0	112.3	E601 E602 L603	E601-K605 WeakPolarHBondContact O-CB 3.1Å; E601-K605 WeakPolarHBondContact O-CD 3.46Å; E601-K605 WeakPolarHBondContact O-CE 3.5Å; E601-K605 WeakPolarHBondContact O-CG 3.3Å; E601-K605 PolarHBondContact O-N 2.75Å; E601-K605 IonicContact OE2-NZ 3.1Å; E601-K605 PolarHBondContact OE2-NZ 2.9Å; E602-K605 PolarHBondContact O-N 2.76Å; L603-K605 VanDerWaalsContact C-N 3.28Å; L603-K605 PolarHBondContact O-N 3.14Å
606	E	88.5	Confident	87.1	Confident	86 Å²	86	67.9 Å²	67.9	40%	0.402	32%	0.318	S	S	.	.	H	α-helix	trans	-67.1	-36.8	175.4	-170.5	-165	164.5	0	0	112.7	E602 L603 N689 K693	E602-E606 PolarHBondContact O-N 2.82Å; L603-E606 PolarHBondContact O-N 3.36Å; L603-E606 VanDerWaalsContact O-N 3.12Å; E606-N689 PolarHBondContact O-ND2 3.04Å; E606-K693 PolarHBondContact O-NZ 3.19Å
607	F	91.8	Very high	87.5	Confident	0 Å²	0	70 Å²	70	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-104	-4.5	-170.9	-76.8	-91.8	0	0	0	115	L603 E604 P609 L610 L611 L627 I678 P680 M685 K686 N689	L603-F607 HydrophobicContact CD2-CE2 4.27Å; L603-F607 WeakPolarHBondContact O-CB 3.36Å; L603-F607 WeakPolarHBondContact O-CD2 3.29Å; L603-F607 PolarHBondContact O-N 2.94Å; E604-F607 PolarHBondContact O-N 3.32Å; F607-P609 VanDerWaalsContact C-CD 3.41Å; F607-P609 VanDerWaalsContact C-N 3.3Å; F607-P609 VanDerWaalsContact O-N 3.13Å; F607-L610 HydrophobicContact CD1-CB 4.5Å; F607-L610 HydrophobicContact CD1-CD2 3.85Å; F607-L610 HydrophobicContact CE1-CD2 4.26Å; F607-L610 WeakPolarHBondContact O-CA 3.28Å; F607-L610 WeakPolarHBondContact O-CB 3.17Å; F607-L610 PolarHBondContact O-N 2.87Å; F607-L611 PolarHBondContact O-N 3.47Å; F607-L627 HydrophobicContact CB-CD1 4.36Å; F607-L627 HydrophobicContact CB-CD2 3.95Å; F607-L627 HydrophobicContact CG-CD2 4.38Å; F607-I678 HydrophobicContact CD1-CD1 4.49Å; F607-P680 HydrophobicContact CD2-CB 3.78Å; F607-P680 HydrophobicContact CE1-CB 4.29Å; F607-P680 HydrophobicContact CE2-CB 3.5Å; F607-P680 HydrophobicContact CG-CB 4.3Å; F607-P680 HydrophobicContact CZ-CB 3.77Å; F607-M685 HydrophobicContact CE1-CB 4.47Å; F607-K686 HydrophobicContact CZ-CG 4.18Å; F607-N689 HydrophobicContact CD1-CB 4.04Å; F607-N689 WeakPolarHBondContact CD1-ND2 3.15Å; F607-N689 HydrophobicContact CE1-CB 3.83Å; F607-N689 WeakPolarHBondContact CE1-ND2 3.16Å; F607-N689 WeakPolarHBondContact CG-ND2 3.19Å
608	K	89.8	Confident	87.7	Confident	113 Å²	113	66.1 Å²	66.1	49%	0.491	31%	0.309	S	S	.	.	H	α-helix	trans	-42.4	-45.8	175.1	-168.1	172.7	-176.6	-71	0	113.9	E604 L610 L611 E612	E604-K608 WeakPolarHBondContact O-CA 3.34Å; E604-K608 WeakPolarHBondContact O-CB 3.5Å; E604-K608 PolarHBondContact O-N 2.91Å; K608-L610 VanDerWaalsContact C-N 3.32Å; K608-L610 PolarHBondContact O-N 3.35Å; K608-L611 PolarHBondContact O-N 2.97Å; K608-E612 HydrophobicContact CG-CG 4.39Å; K608-E612 IonicContact NZ-OE1 2.71Å; K608-E612 PolarHBondContact NZ-OE1 2.65Å; K608-E612 IonicContact NZ-OE2 2.77Å; K608-E612 WeakPolarHBondContact O-CG 3.16Å; K608-E612 PolarHBondContact O-N 3.3Å
609	P	88.6	Confident	87.7	Confident	48 Å²	48	70.3 Å²	70.3	31%	0.312	32%	0.321	S	S	.	.	H	α-helix	trans	-69.1	-23.3	179	-20.2	34.9	0	0	0	115	F607 W613	F607-P609 VanDerWaalsContact C-CD 3.41Å; F607-P609 VanDerWaalsContact C-N 3.3Å; F607-P609 VanDerWaalsContact O-N 3.13Å; P609-W613 VanDerWaalsContact O-CB 3.27Å; P609-W613 WeakPolarHBondContact O-CB 3.14Å; P609-W613 PolarHBondContact O-N 3.38Å
610	L	89.4	Confident	87.7	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-80.1	-37.2	173.3	176.7	65.6	0	0	0	110.7	F607 K608 F614 I678 M685 L688 N689 I692	F607-L610 HydrophobicContact CD1-CB 4.5Å; F607-L610 HydrophobicContact CD1-CD2 3.85Å; F607-L610 HydrophobicContact CE1-CD2 4.26Å; F607-L610 WeakPolarHBondContact O-CA 3.28Å; F607-L610 WeakPolarHBondContact O-CB 3.17Å; F607-L610 PolarHBondContact O-N 2.87Å; K608-L610 VanDerWaalsContact C-N 3.32Å; K608-L610 PolarHBondContact O-N 3.35Å; L610-F614 HydrophobicContact CD1-CD2 3.86Å; L610-F614 HydrophobicContact CD1-CE2 3.45Å; L610-F614 VanDerWaalsContact CD1-CE2 3.45Å; L610-F614 HydrophobicContact CD1-CZ 4.1Å; L610-F614 HydrophobicContact CD2-CE2 4.07Å; L610-F614 HydrophobicContact CG-CD2 3.83Å; L610-F614 HydrophobicContact CG-CE2 3.61Å; L610-F614 WeakPolarHBondContact O-CD2 3.18Å; L610-F614 PolarHBondContact O-N 2.97Å; L610-I678 HydrophobicContact CD2-CD1 3.67Å; L610-I678 HydrophobicContact CG-CD1 4.12Å; L610-M685 HydrophobicContact CD2-CB 4.37Å; L610-M685 HydrophobicContact CD2-SD 4.15Å; L610-L688 HydrophobicContact CD1-CB 3.92Å; L610-N689 HydrophobicContact CB-CB 4.41Å; L610-N689 HydrophobicContact CD2-CB 4.26Å; L610-I692 HydrophobicContact CD1-CD1 3.36Å
611	L	91.1	Very high	87.7	Confident	21 Å²	21	72.1 Å²	72.1	11%	0.11	33%	0.333	C	S	.	.	H	α-helix	trans	-65.5	-49.2	176.1	-65.7	173	0	0	0	110.9	F607 K608 W613 F614 K615 T625 L627 I678	F607-L611 PolarHBondContact O-N 3.47Å; K608-L611 PolarHBondContact O-N 2.97Å; L611-W613 PolarHBondContact O-N 2.99Å; L611-F614 PolarHBondContact O-N 2.68Å; L611-F614 VanDerWaalsContact O-N 3.14Å; L611-K615 PolarHBondContact O-N 3.13Å; L611-T625 PolarHBondContact O-OG1 2.95Å; L611-T625 VanDerWaalsContact O-OG1 3.11Å; L611-L627 HydrophobicContact CD1-CD2 4.21Å; L611-L627 HydrophobicContact CD1-CG 4.29Å; L611-L627 HydrophobicContact CD2-CD2 4.2Å; L611-L627 HydrophobicContact CG-CD2 4.48Å; L611-I678 HydrophobicContact CD2-CD1 3.64Å; L611-I678 HydrophobicContact CD2-CG1 3.86Å; L611-I678 HydrophobicContact CG-CD1 4.35Å
612	E	89.9	Confident	87.8	Confident	89 Å²	89	68 Å²	68	42%	0.416	31%	0.314	S	S	.	.	H	α-helix	trans	-58.7	-45.9	177	-70.4	169.8	147.2	0	0	111.6	K608 F614 K615 E616	K608-E612 HydrophobicContact CG-CG 4.39Å; K608-E612 IonicContact NZ-OE1 2.71Å; K608-E612 PolarHBondContact NZ-OE1 2.65Å; K608-E612 IonicContact NZ-OE2 2.77Å; K608-E612 WeakPolarHBondContact O-CG 3.16Å; K608-E612 PolarHBondContact O-N 3.3Å; E612-F614 VanDerWaalsContact C-N 3.32Å; E612-F614 PolarHBondContact O-N 3.46Å; E612-K615 PolarHBondContact O-N 3.4Å; E612-K615 VanDerWaalsContact O-N 3.16Å; E612-E616 WeakPolarHBondContact O-CG 3.44Å; E612-E616 PolarHBondContact O-N 2.93Å
613	W	90	Very high	87.7	Confident	9 Å²	9	65.8 Å²	65.8	3%	0.034	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-36.2	175.6	-175.7	100.1	0	0	0	113.2	P609 L611 N617 I692 K696 I701 A705	P609-W613 VanDerWaalsContact O-CB 3.27Å; P609-W613 WeakPolarHBondContact O-CB 3.14Å; P609-W613 PolarHBondContact O-N 3.38Å; L611-W613 PolarHBondContact O-N 2.99Å; W613-N617 WeakPolarHBondContact CH2-ND2 3.48Å; W613-N617 WeakPolarHBondContact CZ2-ND2 3.02Å; W613-N617 WeakPolarHBondContact O-CB 3.27Å; W613-N617 PolarHBondContact O-N 2.83Å; W613-N617 VanDerWaalsContact O-N 3.09Å; W613-I692 HydrophobicContact CB-CD1 3.98Å; W613-I692 HydrophobicContact CB-CG2 4.41Å; W613-I692 HydrophobicContact CD2-CD1 3.56Å; W613-I692 HydrophobicContact CD2-CG1 4.23Å; W613-I692 HydrophobicContact CE3-CD1 3.95Å; W613-I692 HydrophobicContact CG-CD1 3.59Å; W613-I692 HydrophobicContact CG-CG1 4.16Å; W613-I692 HydrophobicContact CG-CG2 4.28Å; W613-K696 PolarHBondContact NE1-O 2.99Å; W613-I701 HydrophobicContact CH2-CB 4.43Å; W613-I701 HydrophobicContact CH2-CG2 3.57Å; W613-I701 HydrophobicContact CZ2-CB 4.04Å; W613-I701 HydrophobicContact CZ2-CG2 3.35Å; W613-I701 HydrophobicContact CZ3-CG2 4.31Å; W613-A705 HydrophobicContact CH2-CB 3.49Å; W613-A705 VanDerWaalsContact CH2-CB 3.49Å; W613-A705 HydrophobicContact CZ3-CB 3.47Å; W613-A705 VanDerWaalsContact CZ3-CB 3.47Å
614	F	90.9	Very high	87.7	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-70.5	-38.2	173.7	-82.4	-57	0	0	0	112	L610 L611 E612 N617 L618 T625 F676 I678 M685 L688 A705	L610-F614 HydrophobicContact CD1-CD2 3.86Å; L610-F614 HydrophobicContact CD1-CE2 3.45Å; L610-F614 VanDerWaalsContact CD1-CE2 3.45Å; L610-F614 HydrophobicContact CD1-CZ 4.1Å; L610-F614 HydrophobicContact CD2-CE2 4.07Å; L610-F614 HydrophobicContact CG-CD2 3.83Å; L610-F614 HydrophobicContact CG-CE2 3.61Å; L610-F614 WeakPolarHBondContact O-CD2 3.18Å; L610-F614 PolarHBondContact O-N 2.97Å; L611-F614 PolarHBondContact O-N 2.68Å; L611-F614 VanDerWaalsContact O-N 3.14Å; E612-F614 VanDerWaalsContact C-N 3.32Å; E612-F614 PolarHBondContact O-N 3.46Å; F614-N617 PolarHBondContact O-N 3.09Å; F614-L618 HydrophobicContact CD1-CD1 3.82Å; F614-L618 VanDerWaalsContact O-CB 3.32Å; F614-L618 WeakPolarHBondContact O-CB 3.14Å; F614-L618 PolarHBondContact O-N 3.19Å; F614-T625 HydrophobicContact CB-CG2 3.58Å; F614-F676 HydrophobicContact CD1-CD1 4.45Å; F614-F676 AromaticContact CD1-CE1 3.92Å; F614-F676 HydrophobicContact CD1-CE1 3.92Å; F614-F676 HydrophobicContact CD2-CD1 4.39Å; F614-F676 HydrophobicContact CD2-CE1 4.04Å; F614-F676 AromaticContact CE1-CE1 3.82Å; F614-F676 HydrophobicContact CE1-CE1 3.82Å; F614-F676 HydrophobicContact CE1-CZ 4.39Å; F614-F676 AromaticContact CE2-CE1 3.94Å; F614-F676 HydrophobicContact CE2-CE1 3.94Å; F614-F676 HydrophobicContact CG-CD1 4.28Å; F614-F676 HydrophobicContact CG-CE1 4.05Å; F614-F676 AromaticContact CZ-CE1 3.84Å; F614-F676 HydrophobicContact CZ-CE1 3.84Å; F614-F676 HydrophobicContact CZ-CZ 4.47Å; F614-I678 HydrophobicContact CD2-CG2 4.29Å; F614-I678 HydrophobicContact CE2-CG2 3.97Å; F614-M685 HydrophobicContact CE2-CE 4.48Å; F614-M685 HydrophobicContact CE2-SD 4.16Å; F614-M685 HydrophobicContact CZ-CE 4.36Å; F614-M685 HydrophobicContact CZ-SD 4.29Å; F614-L688 HydrophobicContact CZ-CD1 4.42Å; F614-A705 HydrophobicContact CE1-CB 3.85Å
615	K	89.6	Confident	87.9	Confident	91 Å²	91	66.7 Å²	66.7	40%	0.396	31%	0.309	S	S	.	.	H	α-helix	trans	-70.9	-31.8	176.6	-176.9	163.6	179.9	135.9	0	112.2	L611 E612 D623 T625	L611-K615 PolarHBondContact O-N 3.13Å; E612-K615 PolarHBondContact O-N 3.4Å; E612-K615 VanDerWaalsContact O-N 3.16Å; K615-D623 WeakPolarHBondContact CD-O 3.48Å; K615-D623 WeakPolarHBondContact CE-O 3.35Å; K615-D623 PolarHBondContact NZ-O 2.71Å; K615-D623 IonicContact NZ-OD1 2.78Å; K615-D623 PolarHBondContact NZ-OD1 2.53Å; K615-T625 HydrophobicContact CB-CG2 4.06Å
616	E	87.2	Confident	88	Confident	103 Å²	103	61.5 Å²	61.5	48%	0.481	29%	0.291	S	S	.	.	H	α-helix	trans	-64.5	-51.3	170.6	-71.9	170.4	153.8	0	0	111.5	E612 K696	E612-E616 WeakPolarHBondContact O-CG 3.44Å; E612-E616 PolarHBondContact O-N 2.93Å; E616-K696 IonicContact OE1-NZ 3.92Å; E616-K696 PolarHBondContact OE1-NZ 2.84Å; E616-K696 WeakPolarHBondContact OE2-CE 3.2Å; E616-K696 IonicContact OE2-NZ 2.69Å; E616-K696 PolarHBondContact OE2-NZ 2.79Å
617	N	85.6	Confident	88.1	Confident	74 Å²	74	58 Å²	58	40%	0.396	28%	0.275	S	S	.	.	H	α-helix	trans	-88.9	-6.8	-169.8	-71.4	-14.6	0	0	0	115.6	W613 F614	W613-N617 WeakPolarHBondContact CH2-ND2 3.48Å; W613-N617 WeakPolarHBondContact CZ2-ND2 3.02Å; W613-N617 WeakPolarHBondContact O-CB 3.27Å; W613-N617 PolarHBondContact O-N 2.83Å; W613-N617 VanDerWaalsContact O-N 3.09Å; F614-N617 PolarHBondContact O-N 3.09Å
618	L	83.9	Confident	87.9	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	21.7	178.4	-58.1	172.3	0	0	0	112	F614 E620 Y621 V622 F709	F614-L618 HydrophobicContact CD1-CD1 3.82Å; F614-L618 VanDerWaalsContact O-CB 3.32Å; F614-L618 WeakPolarHBondContact O-CB 3.14Å; F614-L618 PolarHBondContact O-N 3.19Å; L618-E620 PolarHBondContact O-N 2.85Å; L618-E620 VanDerWaalsContact O-N 3.14Å; L618-Y621 HydrophobicContact CD2-CD2 4.49Å; L618-Y621 PolarHBondContact O-N 3.06Å; L618-V622 HydrophobicContact CB-CB 4.19Å; L618-V622 HydrophobicContact CB-CG2 4.07Å; L618-V622 HydrophobicContact CD1-CG2 4.49Å; L618-V622 PolarHBondContact O-N 3.29Å; L618-F709 HydrophobicContact CD1-CB 4.44Å; L618-F709 HydrophobicContact CD1-CD2 3.98Å; L618-F709 HydrophobicContact CD1-CG 4.44Å; L618-F709 HydrophobicContact CD2-CD2 4.48Å; L618-F709 HydrophobicContact CD2-CG 4.37Å
619	K	83.1	Confident	87.6	Confident	157 Å²	157	54.1 Å²	54.1	68%	0.683	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.4	-177.3	-167.1	-148.6	170.5	-156.6	0	113.2
620	E	82.2	Confident	87.6	Confident	134 Å²	134	52 Å²	52	63%	0.626	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-49	173.4	-72.2	138.3	-143.1	0	0	111.6	L618 K673	L618-E620 PolarHBondContact O-N 2.85Å; L618-E620 VanDerWaalsContact O-N 3.14Å; E620-K673 WeakPolarHBondContact O-CD 3.38Å; E620-K673 PolarHBondContact O-NZ 2.84Å
621	Y	83	Confident	87.7	Confident	123 Å²	123	52 Å²	52	48%	0.482	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-16.3	-168.7	-49	-78.3	0	0	0	115.2	L618 F709	L618-Y621 HydrophobicContact CD2-CD2 4.49Å; L618-Y621 PolarHBondContact O-N 3.06Å; Y621-F709 VanDerWaalsContact CB-CZ 3.45Å; Y621-F709 HydrophobicContact CD1-CE1 4.42Å; Y621-F709 HydrophobicContact CD1-CZ 4.49Å; Y621-F709 HydrophobicContact CD2-CE1 4.47Å; Y621-F709 HydrophobicContact CG-CE1 4.08Å; Y621-F709 AromaticContact CG-CZ 3.96Å; Y621-F709 HydrophobicContact CG-CZ 3.96Å
622	V	87	Confident	87.6	Confident	2 Å²	2	52 Å²	52	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	120.7	-168.1	175.9	0	0	0	0	110.5	L618 T625 L638 K674 F676 F709	L618-V622 HydrophobicContact CB-CB 4.19Å; L618-V622 HydrophobicContact CB-CG2 4.07Å; L618-V622 HydrophobicContact CD1-CG2 4.49Å; L618-V622 PolarHBondContact O-N 3.29Å; V622-T625 HydrophobicContact CG1-CG2 4.16Å; V622-L638 HydrophobicContact CG2-CD2 4.22Å; V622-K674 WeakPolarHBondContact CA-O 3.34Å; V622-F676 HydrophobicContact CG1-CB 3.71Å; V622-F676 HydrophobicContact CG2-CB 4.05Å; V622-F709 HydrophobicContact CG2-CD2 4.22Å; V622-F709 HydrophobicContact CG2-CE2 3.59Å
623	D	85.8	Confident	87.6	Confident	77 Å²	77	52.7 Å²	52.7	41%	0.412	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-62.7	164	161.6	41	0	0	0	109.7	K615 K673 K674	K615-D623 WeakPolarHBondContact CD-O 3.48Å; K615-D623 WeakPolarHBondContact CE-O 3.35Å; K615-D623 PolarHBondContact NZ-O 2.71Å; K615-D623 IonicContact NZ-OD1 2.78Å; K615-D623 PolarHBondContact NZ-OD1 2.53Å; D623-K673 HydrophobicContact CB-CB 4.25Å; D623-K674 PolarHBondContact N-O 2.8Å
624	K	88.3	Confident	87.7	Confident	115 Å²	115	53.5 Å²	53.5	50%	0.5	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.1	-161.5	-172.5	171.5	-175	174.7	0	112.8	V675 F676	K624-V675 HydrophobicContact CB-CG1 4.32Å; K624-V675 HydrophobicContact CB-CG2 4.41Å; K624-V675 CarbonylContact O-C 3.59Å; K624-V675 WeakPolarHBondContact O-CA 3.36Å; K624-V675 WeakPolarHBondContact O-CG1 3.26Å; K624-F676 PolarHBondContact O-N 3.08Å
625	T	90.8	Very high	87.8	Confident	21 Å²	21	54.8 Å²	54.8	13%	0.129	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.9	173.1	58.1	0	0	0	0	109.8	L611 F614 K615 V622 F676	L611-T625 PolarHBondContact O-OG1 2.95Å; L611-T625 VanDerWaalsContact O-OG1 3.11Å; F614-T625 HydrophobicContact CB-CG2 3.58Å; K615-T625 HydrophobicContact CB-CG2 4.06Å; V622-T625 HydrophobicContact CG1-CG2 4.16Å; T625-F676 WeakPolarHBondContact CA-O 3.44Å
626	A	90.7	Very high	87.9	Confident	26 Å²	26	50.7 Å²	50.7	22%	0.215	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.9	-174.8	0	0	0	0	0	113.6	F676 E677 I678	A626-F676 PolarHBondContact N-O 2.66Å; A626-E677 HydrophobicContact CB-CG 4.45Å; A626-E677 WeakPolarHBondContact O-CA 3.18Å; A626-I678 PolarHBondContact O-N 2.91Å
627	L	90.8	Very high	88.2	Confident	13 Å²	13	45.8 Å²	45.8	7%	0.068	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	126.4	167.7	-66.3	-160.7	0	0	0	111	L603 E604 F607 L611 I678 P680	L603-L627 HydrophobicContact CB-CD1 3.6Å; E604-L627 HydrophobicContact CB-CD1 4.38Å; E604-L627 HydrophobicContact CG-CB 4.3Å; E604-L627 HydrophobicContact CG-CD1 3.76Å; E604-L627 HydrophobicContact CG-CG 3.94Å; F607-L627 HydrophobicContact CB-CD1 4.36Å; F607-L627 HydrophobicContact CB-CD2 3.95Å; F607-L627 HydrophobicContact CG-CD2 4.38Å; L611-L627 HydrophobicContact CD1-CD2 4.21Å; L611-L627 HydrophobicContact CD1-CG 4.29Å; L611-L627 HydrophobicContact CD2-CD2 4.2Å; L611-L627 HydrophobicContact CG-CD2 4.48Å; L627-I678 HydrophobicContact CD2-CD1 3.77Å; L627-I678 HydrophobicContact CD2-CG1 3.55Å; L627-P680 HydrophobicContact CD1-CB 4.36Å; L627-P680 HydrophobicContact CD1-CG 4.19Å; L627-P680 HydrophobicContact CD2-CB 4.4Å; L627-P680 HydrophobicContact CD2-CG 4.47Å
628	S	87.2	Confident	88.5	Confident	9 Å²	9	42.4 Å²	42.4	6%	0.063	21%	0.21	C	C	.	.			trans	-73	133.4	-172.9	-172.3	0	0	0	0	114.7	R549 R630 L631 E677 I678	R549-S628 PolarHBondContact NH1-O 3.33Å; S628-R630 PolarHBondContact OG-N 2.86Å; S628-R630 VanDerWaalsContact OG-N 3.09Å; S628-L631 WeakPolarHBondContact OG-CB 3.49Å; S628-L631 WeakPolarHBondContact OG-CG 3.49Å; S628-L631 PolarHBondContact OG-N 3.38Å; S628-E677 WeakPolarHBondContact CA-OE2 3.43Å; S628-E677 WeakPolarHBondContact CB-OE2 3.49Å; S628-E677 PolarHBondContact OG-OE2 3.23Å; S628-I678 WeakPolarHBondContact CB-O 3.29Å; S628-I678 PolarHBondContact N-O 3.09Å
629	E	84.3	Confident	88.9	Confident	22 Å²	22	42.5 Å²	42.5	10%	0.103	21%	0.21	C	C	.	.	S	Bend	trans	-90.1	-20.4	161.1	-79.6	-168.1	-129.6	0	0	114.2	R549 L590 K600	R549-E629 WeakPolarHBondContact CD-O 3.22Å; R549-E629 WeakPolarHBondContact CG-O 3.18Å; R549-E629 VanDerWaalsContact CZ-O 3.23Å; R549-E629 PolarHBondContact NE-O 2.91Å; R549-E629 PolarHBondContact NH1-O 2.73Å; R549-E629 VanDerWaalsContact NH1-O 3.13Å; L590-E629 PolarHBondContact N-OE2 3.12Å; K600-E629 IonicContact NZ-OE1 2.07Å; K600-E629 PolarHBondContact NZ-OE1 3.29Å
630	R	88.9	Confident	89.3	Confident	3 Å²	3	35.1 Å²	35.1	1%	0.011	18%	0.178	C	C	.	.	S	Bend	trans	-94.5	-27.7	-174.5	79.1	-161.6	77.6	-153.9	3.2	115	F546 R549 V583 K585 G586 S628 E677	F546-R630 HydrophobicContact CD1-CG 4.44Å; R549-R630 WeakPolarHBondContact CB-O 3.36Å; R549-R630 PolarHBondContact N-O 3.17Å; R549-R630 VanDerWaalsContact N-O 3.08Å; V583-R630 PolarHBondContact O-NH1 3.25Å; K585-R630 PolarHBondContact O-NH1 3.32Å; G586-R630 PolarHBondContact O-NH1 2.92Å; G586-R630 PolarHBondContact O-NH2 2.86Å; S628-R630 PolarHBondContact OG-N 2.86Å; S628-R630 VanDerWaalsContact OG-N 3.09Å; R630-E677 WeakPolarHBondContact CG-OE2 3.44Å; R630-E677 IonicContact CZ-OE1 3.6Å; R630-E677 IonicContact CZ-OE2 2.58Å; R630-E677 VanDerWaalsContact NE-CD 3.3Å; R630-E677 IonicContact NE-OE1 2.78Å; R630-E677 PolarHBondContact NE-OE1 3.08Å; R630-E677 VanDerWaalsContact NE-OE1 3.13Å; R630-E677 IonicContact NE-OE2 2.8Å; R630-E677 PolarHBondContact NE-OE2 3.38Å; R630-E677 IonicContact NH2-OE1 2.77Å; R630-E677 PolarHBondContact NH2-OE1 3.13Å; R630-E677 IonicContact NH2-OE2 2.73Å
631	L	91.2	Very high	89.6	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.01	17%	0.169	C	C	.	.			trans	-76.5	156.9	178.4	-61.6	177	0	0	0	112.9	P545 S628 T634 A637 E677 N679	P545-L631 HydrophobicContact CB-CD2 3.65Å; S628-L631 WeakPolarHBondContact OG-CB 3.49Å; S628-L631 WeakPolarHBondContact OG-CG 3.49Å; S628-L631 PolarHBondContact OG-N 3.38Å; L631-T634 HydrophobicContact CD2-CG2 4.41Å; L631-A637 HydrophobicContact CD1-CB 4.4Å; L631-A637 HydrophobicContact CD2-CB 3.92Å; L631-E677 WeakPolarHBondContact CD1-O 3.29Å; L631-N679 HydrophobicContact CB-CB 4.01Å; L631-N679 HydrophobicContact CD1-CB 4.1Å
632	S	88.6	Confident	89.7	Confident	21 Å²	21	31.4 Å²	31.4	15%	0.147	17%	0.168	C	C	.	.	S	Bend	trans	-151	-43.2	176.3	73.1	0	0	0	0	115.9	E548 K552 N679	E548-S632 WeakPolarHBondContact CB-OG 3.5Å; E548-S632 WeakPolarHBondContact OE2-CA 3.38Å; E548-S632 WeakPolarHBondContact OE2-CB 3.48Å; E548-S632 PolarHBondContact OE2-N 3.16Å; E548-S632 PolarHBondContact OE2-OG 2.78Å; K552-S632 WeakPolarHBondContact CD-OG 3.06Å; K552-S632 WeakPolarHBondContact CE-OG 3.43Å; K552-S632 PolarHBondContact NZ-OG 2.69Å; S632-N679 VanDerWaalsContact C-ND2 3.28Å; S632-N679 PolarHBondContact O-ND2 3.49Å; S632-N679 VanDerWaalsContact O-ND2 3.16Å
633	N	90.3	Very high	89.4	Confident	103 Å²	103	36.7 Å²	36.7	55%	0.551	19%	0.191	S	C	*	.	S	Bend	trans	-101.7	-50.1	174.3	-64.5	-22.5	0	0	0	109.8	E548 K552 H682	E548-N633 PolarHBondContact OE2-N 2.8Å; K552-N633 VanDerWaalsContact NZ-CG 3.33Å; K552-N633 PolarHBondContact NZ-OD1 2.74Å; N633-H682 PolarHBondContact O-CD2 3.46Å
634	T	92.3	Very high	89.3	Confident	26 Å²	26	33.1 Å²	33.1	16%	0.16	17%	0.173	C	C	.	.	S	Bend	trans	-63.6	142.6	-177	-61.9	0	0	0	0	111.8	P545 E548 L631 C636 N679	P545-T634 HydrophobicContact CB-CG2 3.98Å; E548-T634 WeakPolarHBondContact OE1-CB 3.04Å; E548-T634 PolarHBondContact OE1-N 2.82Å; E548-T634 VanDerWaalsContact OE1-N 3.13Å; E548-T634 PolarHBondContact OE1-OG1 3.13Å; L631-T634 HydrophobicContact CD2-CG2 4.41Å; T634-C636 VanDerWaalsContact CG2-O 3.27Å; T634-C636 WeakPolarHBondContact CG2-O 3.44Å; T634-N679 VanDerWaalsContact O-CB 3.22Å; T634-N679 WeakPolarHBondContact O-CB 3.05Å; T634-N679 PolarHBondContact O-ND2 3.31Å
635	P	92.5	Very high	89.3	Confident	26 Å²	26	28.3 Å²	28.3	17%	0.169	15%	0.152	C	C	.	.	S	Bend	trans	-65.1	-44.1	-179.1	20.7	-33.2	0	0	0	115.5	N679 H682 M685 L708	P635-N679 VanDerWaalsContact O-CB 3.3Å; P635-N679 WeakPolarHBondContact O-CB 3.41Å; P635-N679 PolarHBondContact O-N 3.16Å; P635-H682 WeakPolarHBondContact CB-ND1 3.35Å; P635-M685 HydrophobicContact CB-CE 4.29Å; P635-M685 WeakPolarHBondContact O-CE 3.42Å; P635-L708 HydrophobicContact CB-CD2 4.34Å; P635-L708 HydrophobicContact CG-CD2 4.19Å
636	C	92.9	Very high	89.2	Confident	5 Å²	5	27.4 Å²	27.4	3%	0.034	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	160.3	-171.9	37.2	0	0	0	0	109.7	T634 F676 E677 I678 M685 L708	T634-C636 VanDerWaalsContact CG2-O 3.27Å; T634-C636 WeakPolarHBondContact CG2-O 3.44Å; C636-F676 HydrophobicContact CB-CE1 4.37Å; C636-F676 HydrophobicContact CB-CE2 3.78Å; C636-F676 HydrophobicContact CB-CZ 3.62Å; C636-E677 CarbonylContact C-O 3.52Å; C636-E677 WeakPolarHBondContact CA-O 3.22Å; C636-I678 HydrophobicContact CB-CG2 4.42Å; C636-M685 HydrophobicContact CB-CE 3.61Å; C636-L708 PolarHBondContact SG-O 3.41Å
637	A	93	Very high	89.2	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	154.9	168.6	0	0	0	0	0	109.1	P545 F546 L631 E677	P545-A637 HydrophobicContact CB-CB 4.21Å; P545-A637 HydrophobicContact CG-CB 3.96Å; F546-A637 HydrophobicContact CD1-CB 4.49Å; F546-A637 HydrophobicContact CE1-CB 3.95Å; L631-A637 HydrophobicContact CD1-CB 4.4Å; L631-A637 HydrophobicContact CD2-CB 3.92Å; A637-E677 PolarHBondContact N-O 2.93Å; A637-E677 PolarHBondContact O-N 3.03Å
638	L	92.4	Very high	89.2	Confident	4 Å²	4	26.3 Å²	26.3	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	140.5	165.5	-73.2	163	0	0	0	109.7	F546 V622 K674 V675 F676 F709 A712 V713 S716 F718	F546-L638 VanDerWaalsContact CE1-O 3.23Å; F546-L638 WeakPolarHBondContact CE1-O 3.4Å; F546-L638 VanDerWaalsContact CZ-O 3.24Å; F546-L638 WeakPolarHBondContact CZ-O 3.47Å; V622-L638 HydrophobicContact CG2-CD2 4.22Å; L638-K674 HydrophobicContact CD2-CB 4Å; L638-V675 CarbonylContact C-O 3.54Å; L638-V675 WeakPolarHBondContact CA-O 3.28Å; L638-F676 HydrophobicContact CD2-CB 4.08Å; L638-F676 HydrophobicContact CD2-CD2 3.81Å; L638-F676 HydrophobicContact CD2-CG 4.45Å; L638-F676 HydrophobicContact CG-CD2 4.19Å; L638-F709 HydrophobicContact CD1-CD2 4.33Å; L638-F709 HydrophobicContact CD1-CE2 3.71Å; L638-F709 HydrophobicContact CD1-CZ 3.94Å; L638-F709 HydrophobicContact CD2-CD2 4.49Å; L638-F709 HydrophobicContact CD2-CE2 3.86Å; L638-F709 HydrophobicContact CG-CE2 4.28Å; L638-A712 HydrophobicContact CG-CB 4.41Å; L638-V713 HydrophobicContact CD1-CB 4.26Å; L638-V713 HydrophobicContact CD1-CG2 3.42Å; L638-V713 VanDerWaalsContact CD1-CG2 3.42Å; L638-S716 PolarHBondContact N-OG 2.63Å; L638-S716 WeakPolarHBondContact O-CB 3.35Å; L638-S716 PolarHBondContact O-OG 3.13Å; L638-F718 HydrophobicContact CB-CD2 4.01Å; L638-F718 HydrophobicContact CB-CE2 3.79Å
639	V	92.4	Very high	89.2	Confident	3 Å²	3	26.4 Å²	26.4	2%	0.018	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.2	-179.4	-178.4	0	0	0	0	106.7	F546 A584 V675 E677	F546-V639 HydrophobicContact CE1-CG2 4.17Å; A584-V639 VanDerWaalsContact O-CG1 3.27Å; A584-V639 WeakPolarHBondContact O-CG1 3.18Å; V639-V675 HydrophobicContact CB-CB 4.37Å; V639-V675 PolarHBondContact N-O 3.16Å; V639-V675 WeakPolarHBondContact O-CB 3.32Å; V639-V675 PolarHBondContact O-N 2.91Å; V639-E677 HydrophobicContact CG2-CB 4.2Å; V639-E677 HydrophobicContact CG2-CG 3.96Å
640	A	91.3	Very high	89.4	Confident	2 Å²	2	26.3 Å²	26.3	2%	0.017	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-69.4	159.2	175.4	0	0	0	0	0	111.4	A584 K585 G586 W645 F718	A584-A640 PolarHBondContact O-N 3.23Å; K585-A640 HydrophobicContact CG-CB 4.05Å; G586-A640 PolarHBondContact N-O 3.3Å; A640-W645 WeakPolarHBondContact CB-O 3.42Å; A640-F718 HydrophobicContact CB-CZ 4.39Å
641	N	88.4	Confident	89.4	Confident	81 Å²	81	30 Å²	30	43%	0.433	15%	0.151	S	C	.	.			trans	-63.9	175.3	171.6	-159.5	5	0	0	0	110.9	K585 F643	K585-N641 WeakPolarHBondContact CB-O 3.38Å; N641-F643 VanDerWaalsContact C-N 3.32Å; N641-F643 PolarHBondContact O-N 3.37Å
642	E	84.4	Confident	89.2	Confident	98 Å²	98	30.7 Å²	30.7	46%	0.458	15%	0.154	S	C	.	.	S	Bend	trans	-69	-31.4	-179.6	-62.4	-151.7	148.1	0	0	112.6	R581 G586 T587	R581-E642 IonicContact NH2-OE1 3.22Å; G586-E642 VanDerWaalsContact CA-OE1 3.26Å; G586-E642 WeakPolarHBondContact CA-OE1 3.47Å; T587-E642 PolarHBondContact N-OE1 3.03Å
643	F	81.9	Confident	89	Confident	113 Å²	113	29.8 Å²	29.8	50%	0.496	15%	0.147	S	C	.	.	S	Bend	trans	-97.7	-56.7	178.5	-55.2	-80.1	0	0	0	112.5	K585 N641 L2200	K585-F643 PolarHBondContact NZ-O 2.83Å; N641-F643 VanDerWaalsContact C-N 3.32Å; N641-F643 PolarHBondContact O-N 3.37Å; F643-L2200 HydrophobicContact CD1-CD1 4.39Å; F643-L2200 HydrophobicContact CD1-CG 4.24Å; F643-L2200 HydrophobicContact CE1-CD1 3.57Å; F643-L2200 HydrophobicContact CE1-CD2 4.16Å; F643-L2200 HydrophobicContact CE1-CG 3.59Å; F643-L2200 HydrophobicContact CE2-CD1 4.12Å; F643-L2200 HydrophobicContact CZ-CD1 3.42Å; F643-L2200 VanDerWaalsContact CZ-CD1 3.42Å; F643-L2200 HydrophobicContact CZ-CG 4.01Å
644	G	83.1	Confident	88.7	Confident	3 Å²	3	29.4 Å²	29.4	3%	0.031	15%	0.149	C	C	.	.	S	Bend	trans	-53.6	162.8	-177.5	0	0	0	0	0	116.9	K585 M672	K585-G644 WeakPolarHBondContact CD-O 3.42Å; K585-G644 WeakPolarHBondContact CE-O 3.43Å; K585-G644 PolarHBondContact NZ-O 2.74Å; G644-M672 VanDerWaalsContact CA-SD 3.52Å
645	W	87.4	Confident	88.3	Confident	13 Å²	13	31.7 Å²	31.7	5%	0.049	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-64	150	-164.3	-69.6	-0.1	0	0	0	115.6	A640 M649 E650 M653 S666 Y669 S670 L2142	A640-W645 WeakPolarHBondContact CB-O 3.42Å; W645-M649 HydrophobicContact CB-CB 4.2Å; W645-M649 HydrophobicContact CB-CG 4.38Å; W645-M649 HydrophobicContact CD2-CG 4.39Å; W645-M649 HydrophobicContact CG-CB 4.43Å; W645-M649 HydrophobicContact CG-CG 4.08Å; W645-E650 HydrophobicContact CE3-CB 4.31Å; W645-M653 HydrophobicContact CD2-CG 4.13Å; W645-M653 HydrophobicContact CE3-CB 4.3Å; W645-M653 HydrophobicContact CE3-CG 3.86Å; W645-M653 HydrophobicContact CH2-CB 3.53Å; W645-M653 HydrophobicContact CH2-CG 3.39Å; W645-M653 HydrophobicContact CZ2-CB 4.33Å; W645-M653 HydrophobicContact CZ2-CE 4.28Å; W645-M653 HydrophobicContact CZ2-CG 3.7Å; W645-M653 HydrophobicContact CZ3-CB 3.51Å; W645-M653 HydrophobicContact CZ3-CG 3.46Å; W645-M653 VanDerWaalsContact CZ3-CG 3.46Å; W645-S666 VanDerWaalsContact CH2-O 3.32Å; W645-S666 WeakPolarHBondContact CH2-O 3.33Å; W645-Y669 AromaticContact CD1-CD1 3.77Å; W645-Y669 AromaticContact CD1-CG 3.71Å; W645-Y669 HydrophobicContact CD2-CG 4.35Å; W645-Y669 AromaticContact CE2-CD2 3.79Å; W645-Y669 AromaticContact CE2-CG 3.63Å; W645-Y669 HydrophobicContact CG-CG 4.4Å; W645-Y669 AromaticContact CZ2-CD2 3.82Å; W645-Y669 HydrophobicContact CZ2-CD2 3.82Å; W645-Y669 AromaticContact CZ2-CG 3.99Å; W645-Y669 HydrophobicContact CZ2-CG 3.99Å; W645-Y669 AromaticContact NE1-CD1 3.69Å; W645-Y669 AromaticContact NE1-CD2 3.36Å; W645-Y669 AromaticContact NE1-CG 3.19Å; W645-S670 WeakPolarHBondContact CZ3-OG 3.37Å; W645-L2142 HydrophobicContact CH2-CD1 4.01Å; W645-L2142 HydrophobicContact CZ2-CD1 3.65Å; W645-L2142 HydrophobicContact CZ2-CD2 3.92Å; W645-L2142 HydrophobicContact CZ2-CG 4.38Å
646	S	90	Very high	87.8	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.014	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-77.4	150.5	167.2	110.9	0	0	0	0	108.5	E566 N648 M649 E650	E566-S646 PolarHBondContact OE1-OG 3.27Å; S646-N648 PolarHBondContact O-N 3.15Å; S646-N648 WeakPolarHBondContact OG-CB 2.97Å; S646-N648 PolarHBondContact OG-N 3.02Å; S646-N648 VanDerWaalsContact OG-N 3.08Å; S646-M649 CarbonylContact O-C 2.8Å; S646-M649 WeakPolarHBondContact O-CA 3.28Å; S646-M649 WeakPolarHBondContact O-CB 2.98Å; S646-M649 PolarHBondContact O-N 2.69Å; S646-M649 PolarHBondContact OG-N 3.14Å; S646-M649 VanDerWaalsContact OG-N 3.16Å; S646-E650 PolarHBondContact O-N 3.28Å
647	G	89.6	Confident	86.7	Confident	3 Å²	3	35.7 Å²	35.7	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-20.8	174.4	0	0	0	0	0	113.7	R651 G717 F718	G647-R651 WeakPolarHBondContact O-CB 3.42Å; G647-R651 PolarHBondContact O-N 2.87Å; G647-G717 CarbonylContact C-O 3.48Å; G647-F718 VanDerWaalsContact CA-CE1 3.48Å
648	N	90.9	Very high	85.5	Confident	14 Å²	14	40.8 Å²	40.8	8%	0.075	22%	0.222	C	C	.	.	H	α-helix	trans	-79.5	-25.2	170.6	179.7	80.6	0	0	0	113.3	A535 A536 E566 S646 R651 I652	A535-N648 VanDerWaalsContact CA-OD1 3.25Å; A535-N648 WeakPolarHBondContact CA-OD1 3.4Å; A536-N648 PolarHBondContact N-OD1 2.84Å; E566-N648 WeakPolarHBondContact CG-ND2 3.38Å; E566-N648 PolarHBondContact OE1-ND2 2.98Å; S646-N648 PolarHBondContact O-N 3.15Å; S646-N648 WeakPolarHBondContact OG-CB 2.97Å; S646-N648 PolarHBondContact OG-N 3.02Å; S646-N648 VanDerWaalsContact OG-N 3.08Å; N648-R651 PolarHBondContact O-NH2 3.14Å; N648-R651 PolarHBondContact OD1-NH1 2.79Å; N648-R651 VanDerWaalsContact OD1-NH1 3.16Å; N648-R651 PolarHBondContact OD1-NH2 2.7Å; N648-I652 WeakPolarHBondContact O-CD1 3.32Å; N648-I652 WeakPolarHBondContact O-CG1 3.46Å
649	M	87.9	Confident	84.1	Confident	10 Å²	10	42.7 Å²	42.7	5%	0.049	23%	0.231	C	C	.	.	H	α-helix	trans	-81.1	-44.7	173.8	-169.2	70	145.6	0	0	111.2	E566 Y567 W645 S646 R651 I652 M653	E566-M649 HydrophobicContact CB-CE 4.1Å; E566-M649 HydrophobicContact CB-SD 3.43Å; E566-M649 WeakPolarHBondContact CB-SD 3.2Å; E566-M649 HydrophobicContact CG-SD 3.99Å; Y567-M649 HydrophobicContact CD1-CE 4.48Å; W645-M649 HydrophobicContact CB-CB 4.2Å; W645-M649 HydrophobicContact CB-CG 4.38Å; W645-M649 HydrophobicContact CD2-CG 4.39Å; W645-M649 HydrophobicContact CG-CB 4.43Å; W645-M649 HydrophobicContact CG-CG 4.08Å; S646-M649 CarbonylContact O-C 2.8Å; S646-M649 WeakPolarHBondContact O-CA 3.28Å; S646-M649 WeakPolarHBondContact O-CB 2.98Å; S646-M649 PolarHBondContact O-N 2.69Å; S646-M649 PolarHBondContact OG-N 3.14Å; S646-M649 VanDerWaalsContact OG-N 3.16Å; M649-R651 VanDerWaalsContact C-N 3.34Å; M649-R651 PolarHBondContact O-N 2.97Å; M649-I652 CarbonylContact O-C 3.41Å; M649-I652 WeakPolarHBondContact O-CA 3.47Å; M649-I652 WeakPolarHBondContact O-CB 3.44Å; M649-I652 PolarHBondContact O-N 3.01Å; M649-M653 HydrophobicContact CE-CE 4.2Å; M649-M653 HydrophobicContact CE-SD 4.37Å; M649-M653 HydrophobicContact CG-CG 4.39Å; M649-M653 HydrophobicContact CG-SD 4.25Å; M649-M653 WeakPolarHBondContact O-CG 3.42Å; M649-M653 PolarHBondContact O-N 3.25Å; M649-M653 HydrophobicContact SD-SD 4.07Å
650	E	88.1	Confident	82.4	Confident	20 Å²	20	49.7 Å²	49.7	9%	0.093	26%	0.257	C	S	.	.	H	α-helix	trans	-49.2	-55.8	170.4	-169.3	-177.4	96	0	0	109.4	W645 S646 I652 M653 T654 K674 F718 S719	W645-E650 HydrophobicContact CE3-CB 4.31Å; S646-E650 PolarHBondContact O-N 3.28Å; E650-I652 PolarHBondContact O-N 2.76Å; E650-M653 PolarHBondContact O-N 3.45Å; E650-M653 VanDerWaalsContact O-N 3.17Å; E650-T654 PolarHBondContact O-N 2.65Å; E650-T654 VanDerWaalsContact O-N 3.12Å; E650-T654 PolarHBondContact O-OG1 2.95Å; E650-K674 WeakPolarHBondContact OE2-CE 3.39Å; E650-K674 IonicContact OE2-NZ 2.68Å; E650-K674 PolarHBondContact OE2-NZ 3.43Å; E650-F718 WeakPolarHBondContact OE1-CD1 3.04Å; E650-F718 VanDerWaalsContact OE2-CD1 3.24Å; E650-F718 WeakPolarHBondContact OE2-CD1 3.44Å; E650-S719 PolarHBondContact OE1-N 3.15Å
651	R	88.1	Confident	80.9	Confident	82 Å²	82	50.1 Å²	50.1	31%	0.309	26%	0.262	S	S	.	.	H	α-helix	trans	-75.5	25.7	173	-163.4	-130.3	62.4	-116.9	-16.5	114.6	G647 N648 M649	G647-R651 WeakPolarHBondContact O-CB 3.42Å; G647-R651 PolarHBondContact O-N 2.87Å; N648-R651 PolarHBondContact O-NH2 3.14Å; N648-R651 PolarHBondContact OD1-NH1 2.79Å; N648-R651 VanDerWaalsContact OD1-NH1 3.16Å; N648-R651 PolarHBondContact OD1-NH2 2.7Å; M649-R651 VanDerWaalsContact C-N 3.34Å; M649-R651 PolarHBondContact O-N 2.97Å
652	I	88.8	Confident	79.6	Confident	16 Å²	16	46.2 Å²	46.2	8%	0.082	24%	0.241	C	C	.	.	H	α-helix	trans	-122	-41.4	163.6	-76.4	166.2	0	0	0	109.4	P563 E566 Y567 N648 M649 E650 A655 Q656	P563-I652 HydrophobicContact CB-CD1 3.83Å; P563-I652 HydrophobicContact CB-CG1 4.23Å; E566-I652 HydrophobicContact CG-CD1 4.21Å; Y567-I652 HydrophobicContact CE2-CG2 3.89Å; Y567-I652 WeakPolarHBondContact OH-CG2 3.5Å; N648-I652 WeakPolarHBondContact O-CD1 3.32Å; N648-I652 WeakPolarHBondContact O-CG1 3.46Å; M649-I652 CarbonylContact O-C 3.41Å; M649-I652 WeakPolarHBondContact O-CA 3.47Å; M649-I652 WeakPolarHBondContact O-CB 3.44Å; M649-I652 PolarHBondContact O-N 3.01Å; E650-I652 PolarHBondContact O-N 2.76Å; I652-A655 CarbonylContact O-C 3.49Å; I652-A655 PolarHBondContact O-N 3.28Å; I652-Q656 WeakPolarHBondContact O-CG 3.48Å; I652-Q656 PolarHBondContact O-N 2.74Å
653	M	84.2	Confident	78.8	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-66.7	-53.9	177.7	-45.8	-40.5	-113.6	0	0	111.1	Y567 W645 M649 E650 A655 Q656 Q659 L2142	Y567-M653 HydrophobicContact CE1-CE 4.03Å; Y567-M653 HydrophobicContact CE1-SD 4.27Å; Y567-M653 PolarHBondContact OH-SD 3.23Å; W645-M653 HydrophobicContact CD2-CG 4.13Å; W645-M653 HydrophobicContact CE3-CB 4.3Å; W645-M653 HydrophobicContact CE3-CG 3.86Å; W645-M653 HydrophobicContact CH2-CB 3.53Å; W645-M653 HydrophobicContact CH2-CG 3.39Å; W645-M653 HydrophobicContact CZ2-CB 4.33Å; W645-M653 HydrophobicContact CZ2-CE 4.28Å; W645-M653 HydrophobicContact CZ2-CG 3.7Å; W645-M653 HydrophobicContact CZ3-CB 3.51Å; W645-M653 HydrophobicContact CZ3-CG 3.46Å; W645-M653 VanDerWaalsContact CZ3-CG 3.46Å; M649-M653 HydrophobicContact CE-CE 4.2Å; M649-M653 HydrophobicContact CE-SD 4.37Å; M649-M653 HydrophobicContact CG-CG 4.39Å; M649-M653 HydrophobicContact CG-SD 4.25Å; M649-M653 WeakPolarHBondContact O-CG 3.42Å; M649-M653 PolarHBondContact O-N 3.25Å; M649-M653 HydrophobicContact SD-SD 4.07Å; E650-M653 PolarHBondContact O-N 3.45Å; E650-M653 VanDerWaalsContact O-N 3.17Å; M653-A655 PolarHBondContact O-N 3.37Å; M653-Q656 WeakPolarHBondContact O-CB 3.34Å; M653-Q656 VanDerWaalsContact O-CG 3.32Å; M653-Q656 WeakPolarHBondContact O-CG 3.31Å; M653-Q656 PolarHBondContact O-N 2.8Å; M653-Q656 PolarHBondContact SD-NE2 2.82Å; M653-Q659 PolarHBondContact O-OE1 2.74Å; M653-L2142 HydrophobicContact CE-CD1 4.45Å; M653-L2142 HydrophobicContact CE-CD2 3.55Å; M653-L2142 HydrophobicContact CE-CG 3.87Å
654	T	83.3	Confident	78.3	Confident	95 Å²	95	39.5 Å²	39.5	58%	0.583	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	24.1	170.5	-27.2	0	0	0	0	113.7	E650	E650-T654 PolarHBondContact O-N 2.65Å; E650-T654 VanDerWaalsContact O-N 3.12Å; E650-T654 PolarHBondContact O-OG1 2.95Å
655	A	84.5	Confident	77.8	Confident	75 Å²	75	40.8 Å²	40.8	62%	0.62	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-140.9	11.1	172.6	0	0	0	0	0	112	I652 M653	I652-A655 CarbonylContact O-C 3.49Å; I652-A655 PolarHBondContact O-N 3.28Å; M653-A655 PolarHBondContact O-N 3.37Å
656	Q	81.9	Confident	77.2	Confident	24 Å²	24	40.3 Å²	40.3	11%	0.112	23%	0.225	C	C	.	.			trans	-80	113.4	168.3	-58.5	-173.5	45.7	0	0	107.7	Y567 I652 M653 Y658 Q659 F2140	Y567-Q656 PolarHBondContact OH-NE2 3.49Å; I652-Q656 WeakPolarHBondContact O-CG 3.48Å; I652-Q656 PolarHBondContact O-N 2.74Å; M653-Q656 WeakPolarHBondContact O-CB 3.34Å; M653-Q656 VanDerWaalsContact O-CG 3.32Å; M653-Q656 WeakPolarHBondContact O-CG 3.31Å; M653-Q656 PolarHBondContact O-N 2.8Å; M653-Q656 PolarHBondContact SD-NE2 2.82Å; Q656-Y658 PolarHBondContact O-N 2.8Å; Q656-Q659 PolarHBondContact O-N 3.47Å; Q656-F2140 HydrophobicContact CG-CD1 4.28Å
657	A	69.5	Low	76.6	Confident	91 Å²	91	40.6 Å²	40.6	75%	0.752	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	40.2	173.2	0	0	0	0	0	111.8
658	Y	67.4	Low	76.2	Confident	107 Å²	107	44.5 Å²	44.5	42%	0.42	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-173.5	23.9	-166.7	-79.6	-47.2	0	0	0	108.5	Q656 F2137 S2139 F2140	Q656-Y658 PolarHBondContact O-N 2.8Å; Y658-F2137 HydrophobicContact CE1-CE1 4.3Å; Y658-S2139 VanDerWaalsContact C-OG 3.22Å; Y658-S2139 WeakPolarHBondContact CA-OG 3.19Å; Y658-S2139 CarbonylContact O-C 3.56Å; Y658-S2139 WeakPolarHBondContact O-CA 3.43Å; Y658-S2139 WeakPolarHBondContact O-CB 3.41Å; Y658-S2139 PolarHBondContact O-OG 3.03Å; Y658-S2139 VanDerWaalsContact O-OG 3.09Å; Y658-F2140 AromaticContact CD2-CD2 3.52Å; Y658-F2140 HydrophobicContact CD2-CD2 3.52Å; Y658-F2140 AromaticContact CD2-CE2 3.42Å; Y658-F2140 HydrophobicContact CD2-CE2 3.42Å; Y658-F2140 VanDerWaalsContact CD2-CE2 3.42Å; Y658-F2140 HydrophobicContact CD2-CG 4.48Å; Y658-F2140 HydrophobicContact CD2-CZ 4.3Å; Y658-F2140 HydrophobicContact CE2-CD2 4.41Å; Y658-F2140 HydrophobicContact CE2-CE2 4.03Å; Y658-F2140 AromaticContact CG-CD2 3.9Å; Y658-F2140 HydrophobicContact CG-CD2 3.9Å; Y658-F2140 HydrophobicContact CG-CE2 4.26Å; Y658-F2140 WeakPolarHBondContact O-CA 3.48Å; Y658-F2140 WeakPolarHBondContact O-CB 3.22Å; Y658-F2140 PolarHBondContact O-N 2.85Å
659	Q	62.8	Low	75.7	Confident	44 Å²	44	45.7 Å²	45.7	21%	0.206	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-66.1	153.3	153.7	-130.2	-178.7	-88.7	0	0	105.9	M653 Q656 S666 S2139	M653-Q659 PolarHBondContact O-OE1 2.74Å; Q656-Q659 PolarHBondContact O-N 3.47Å; Q659-S666 VanDerWaalsContact CD-OG 3.31Å; Q659-S666 PolarHBondContact NE2-OG 2.8Å; Q659-S666 PolarHBondContact OE1-OG 2.69Å; Q659-S2139 VanDerWaalsContact C-OG 3.3Å; Q659-S2139 PolarHBondContact O-OG 3.48Å
660	R	58	Low	75.3	Confident	149 Å²	149	46.8 Å²	46.8	56%	0.562	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-72.3	143	136.9	-63.2	-177.1	165.5	172.3	-10.5	104.4
661	G	58.1	Low	74.9	Confident	11 Å²	11	48.7 Å²	48.7	11%	0.113	27%	0.266	C	S	.	.	S	Bend	trans	-74.8	170.7	146.4	0	0	0	0	0	108.2	D1744 N1747	G661-D1744 WeakPolarHBondContact CA-OD2 3.3Å; G661-D1744 PolarHBondContact N-OD2 3.34Å; G661-N1747 PolarHBondContact O-ND2 3.34Å
662	G	61.4	Low	74.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.26	C	S	.	.			trans	67.2	-129.5	-133.5	0	0	0	0	0	109.7	D1735 L1737 D1742	G662-D1735 VanDerWaalsContact C-OD1 3.32Å; G662-D1735 WeakPolarHBondContact CA-OD1 3.34Å; G662-L1737 VanDerWaalsContact O-CD1 3.26Å; G662-L1737 WeakPolarHBondContact O-CD1 3.25Å; G662-D1742 WeakPolarHBondContact CA-OD2 3.43Å; G662-D1742 VanDerWaalsContact N-CG 3.26Å; G662-D1742 PolarHBondContact N-OD1 3.32Å; G662-D1742 PolarHBondContact N-OD2 3.21Å
663	D	69.2	Low	74.4	Confident	38 Å²	38	51.1 Å²	51.1	20%	0.203	28%	0.279	C	S	.	.			trans	50.6	67.9	-159.8	-161.9	19.8	0	0	0	111.1	S665 S666 D1735 L2142	D663-S665 CarbonylContact O-C 3.51Å; D663-S665 PolarHBondContact O-N 2.91Å; D663-S666 WeakPolarHBondContact O-CA 3.36Å; D663-S666 WeakPolarHBondContact O-CB 3.48Å; D663-S666 PolarHBondContact O-N 2.98Å; D663-D1735 WeakPolarHBondContact CA-OD1 3.17Å; D663-D1735 PolarHBondContact N-OD1 3.04Å; D663-D1735 PolarHBondContact N-OD2 2.93Å; D663-L2142 WeakPolarHBondContact OD2-CD1 3.4Å
664	A	69.4	Low	74.7	Confident	32 Å²	32	52.7 Å²	52.7	26%	0.264	29%	0.286	S	S	.	.	H	α-helix	trans	-14.4	-55.3	173.7	0	0	0	0	0	115.9	S666 Y668 D1735 G1736	A664-S666 PolarHBondContact O-N 3.02Å; A664-Y668 WeakPolarHBondContact O-CB 3.44Å; A664-Y668 PolarHBondContact O-N 3.49Å; A664-Y668 VanDerWaalsContact O-N 3.16Å; A664-D1735 PolarHBondContact N-OD1 2.63Å; A664-G1736 WeakPolarHBondContact CA-O 2.69Å; A664-G1736 WeakPolarHBondContact CB-O 3.39Å
665	S	73.7	Confident	75.1	Confident	30 Å²	30	49.3 Å²	49.3	21%	0.21	27%	0.265	C	S	.	.	H	α-helix	trans	-62.5	-37.9	-179.5	79.2	0	0	0	0	113.7	D663 Y669	D663-S665 CarbonylContact O-C 3.51Å; D663-S665 PolarHBondContact O-N 2.91Å; S665-Y669 WeakPolarHBondContact O-CB 3.43Å; S665-Y669 WeakPolarHBondContact O-CD2 3.36Å; S665-Y669 PolarHBondContact O-N 2.65Å
666	S	74.5	Confident	75.5	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-58.7	-53.4	-178.5	-166.8	0	0	0	0	111.9	W645 Q659 D663 A664 Y669 S670 L2142	W645-S666 VanDerWaalsContact CH2-O 3.32Å; W645-S666 WeakPolarHBondContact CH2-O 3.33Å; Q659-S666 VanDerWaalsContact CD-OG 3.31Å; Q659-S666 PolarHBondContact NE2-OG 2.8Å; Q659-S666 PolarHBondContact OE1-OG 2.69Å; D663-S666 WeakPolarHBondContact O-CA 3.36Å; D663-S666 WeakPolarHBondContact O-CB 3.48Å; D663-S666 PolarHBondContact O-N 2.98Å; A664-S666 PolarHBondContact O-N 3.02Å; S666-Y669 PolarHBondContact O-N 3.43Å; S666-S670 WeakPolarHBondContact O-CB 3.34Å; S666-S670 PolarHBondContact O-N 3.42Å; S666-S670 PolarHBondContact O-OG 2.69Å; S666-L2142 VanDerWaalsContact CA-CD1 3.45Å; S666-L2142 VanDerWaalsContact CB-CD1 3.49Å
667	T	77.3	Confident	76	Confident	8 Å²	8	45.1 Å²	45.1	5%	0.049	23%	0.233	C	C	.	.	H	α-helix	trans	-74.5	-39.1	179.4	-93.1	0	0	0	0	111.8	Y669 S670 T671 L1737 W1741	T667-Y669 VanDerWaalsContact C-N 3.27Å; T667-Y669 PolarHBondContact O-N 3.46Å; T667-S670 CarbonylContact O-C 3.54Å; T667-S670 WeakPolarHBondContact O-CA 3.11Å; T667-S670 PolarHBondContact O-N 2.68Å; T667-T671 HydrophobicContact CG2-CG2 3.98Å; T667-T671 WeakPolarHBondContact O-CG2 3.05Å; T667-T671 PolarHBondContact O-N 3.31Å; T667-T671 PolarHBondContact O-OG1 2.84Å; T667-T671 VanDerWaalsContact O-OG1 3.11Å; T667-L1737 HydrophobicContact CG2-CD1 3.88Å; T667-L1737 HydrophobicContact CG2-CD2 3.44Å; T667-L1737 VanDerWaalsContact CG2-CD2 3.44Å; T667-L1737 HydrophobicContact CG2-CG 4.34Å; T667-W1741 HydrophobicContact CG2-CB 3.7Å; T667-W1741 WeakPolarHBondContact CG2-O 3.26Å; T667-W1741 PolarHBondContact OG1-O 2.92Å
668	Y	81.9	Confident	77.2	Confident	86 Å²	86	40.8 Å²	40.8	34%	0.337	20%	0.197	S	C	.	.	H	α-helix	trans	-53.8	-45.6	170.9	176.7	-101.3	0	0	0	111.8	A664 S670 T671 M672 F2199	A664-Y668 WeakPolarHBondContact O-CB 3.44Å; A664-Y668 PolarHBondContact O-N 3.49Å; A664-Y668 VanDerWaalsContact O-N 3.16Å; Y668-S670 VanDerWaalsContact C-N 3.34Å; Y668-S670 PolarHBondContact O-N 3.27Å; Y668-T671 PolarHBondContact O-OG1 2.89Å; Y668-M672 HydrophobicContact CD1-CE 3.84Å; Y668-M672 HydrophobicContact CE1-CE 3.22Å; Y668-M672 VanDerWaalsContact O-CG 3.23Å; Y668-M672 WeakPolarHBondContact O-CG 3.27Å; Y668-M672 PolarHBondContact O-N 2.91Å; Y668-F2199 HydrophobicContact CD1-CE1 4.02Å; Y668-F2199 HydrophobicContact CD1-CE2 4.24Å; Y668-F2199 AromaticContact CD1-CZ 3.55Å; Y668-F2199 HydrophobicContact CD1-CZ 3.55Å; Y668-F2199 HydrophobicContact CE1-CD1 4.38Å; Y668-F2199 AromaticContact CE1-CE1 3.65Å; Y668-F2199 HydrophobicContact CE1-CE1 3.65Å; Y668-F2199 HydrophobicContact CE1-CE2 4.23Å; Y668-F2199 AromaticContact CE1-CZ 3.58Å; Y668-F2199 HydrophobicContact CE1-CZ 3.58Å
669	Y	80.5	Confident	78.4	Confident	38 Å²	38	35.9 Å²	35.9	15%	0.149	18%	0.178	C	C	.	.	H	α-helix	trans	-66.5	-31.3	174.7	-82.1	-57.6	0	0	0	113.9	W645 S665 S666 T667 M672 F2199	W645-Y669 AromaticContact CD1-CD1 3.77Å; W645-Y669 AromaticContact CD1-CG 3.71Å; W645-Y669 HydrophobicContact CD2-CG 4.35Å; W645-Y669 AromaticContact CE2-CD2 3.79Å; W645-Y669 AromaticContact CE2-CG 3.63Å; W645-Y669 HydrophobicContact CG-CG 4.4Å; W645-Y669 AromaticContact CZ2-CD2 3.82Å; W645-Y669 HydrophobicContact CZ2-CD2 3.82Å; W645-Y669 AromaticContact CZ2-CG 3.99Å; W645-Y669 HydrophobicContact CZ2-CG 3.99Å; W645-Y669 AromaticContact NE1-CD1 3.69Å; W645-Y669 AromaticContact NE1-CD2 3.36Å; W645-Y669 AromaticContact NE1-CG 3.19Å; S665-Y669 WeakPolarHBondContact O-CB 3.43Å; S665-Y669 WeakPolarHBondContact O-CD2 3.36Å; S665-Y669 PolarHBondContact O-N 2.65Å; S666-Y669 PolarHBondContact O-N 3.43Å; T667-Y669 VanDerWaalsContact C-N 3.27Å; T667-Y669 PolarHBondContact O-N 3.46Å; Y669-M672 HydrophobicContact CD1-CE 3.97Å; Y669-M672 HydrophobicContact CD1-SD 4.44Å; Y669-M672 HydrophobicContact CE1-CE 4.21Å; Y669-F2199 HydrophobicContact CD1-CE1 4.43Å; Y669-F2199 HydrophobicContact CD2-CZ 4.5Å; Y669-F2199 AromaticContact CE1-CE1 3.59Å; Y669-F2199 HydrophobicContact CE1-CE1 3.59Å; Y669-F2199 HydrophobicContact CE1-CZ 4.11Å; Y669-F2199 HydrophobicContact CE2-CE1 4.07Å; Y669-F2199 AromaticContact CE2-CZ 3.8Å; Y669-F2199 HydrophobicContact CE2-CZ 3.8Å; Y669-F2199 AromaticContact CZ-CE1 3.35Å; Y669-F2199 AromaticContact CZ-CZ 3.58Å; Y669-F2199 WeakPolarHBondContact OH-CE1 3.45Å
670	S	78.5	Confident	79.7	Confident	34 Å²	34	34.2 Å²	34.2	24%	0.238	17%	0.171	C	C	.	.	H	α-helix	trans	-78.6	-39.6	179.9	-66.6	0	0	0	0	113	W645 S666 T667 Y668 K674	W645-S670 WeakPolarHBondContact CZ3-OG 3.37Å; S666-S670 WeakPolarHBondContact O-CB 3.34Å; S666-S670 PolarHBondContact O-N 3.42Å; S666-S670 PolarHBondContact O-OG 2.69Å; T667-S670 CarbonylContact O-C 3.54Å; T667-S670 WeakPolarHBondContact O-CA 3.11Å; T667-S670 PolarHBondContact O-N 2.68Å; Y668-S670 VanDerWaalsContact C-N 3.34Å; Y668-S670 PolarHBondContact O-N 3.27Å; S670-K674 PolarHBondContact O-NZ 3.31Å
671	T	80.1	Confident	81.1	Confident	59 Å²	59	35.6 Å²	35.6	36%	0.362	18%	0.177	S	C	.	.	H	α-helix	trans	-71.7	-27.6	176.2	61.9	0	0	0	0	112.1	T667 Y668 K673	T667-T671 HydrophobicContact CG2-CG2 3.98Å; T667-T671 WeakPolarHBondContact O-CG2 3.05Å; T667-T671 PolarHBondContact O-N 3.31Å; T667-T671 PolarHBondContact O-OG1 2.84Å; T667-T671 VanDerWaalsContact O-OG1 3.11Å; Y668-T671 PolarHBondContact O-OG1 2.89Å; T671-K673 PolarHBondContact O-N 3.28Å
672	M	83.6	Confident	82.7	Confident	37 Å²	37	37.1 Å²	37.1	18%	0.182	18%	0.181	C	C	.	.	S	Bend	trans	-39.6	121.3	178.6	-83.1	-150.9	-174.4	0	0	113.1	G644 Y668 Y669 K674 F2199	G644-M672 VanDerWaalsContact CA-SD 3.52Å; Y668-M672 HydrophobicContact CD1-CE 3.84Å; Y668-M672 HydrophobicContact CE1-CE 3.22Å; Y668-M672 VanDerWaalsContact O-CG 3.23Å; Y668-M672 WeakPolarHBondContact O-CG 3.27Å; Y668-M672 PolarHBondContact O-N 2.91Å; Y669-M672 HydrophobicContact CD1-CE 3.97Å; Y669-M672 HydrophobicContact CD1-SD 4.44Å; Y669-M672 HydrophobicContact CE1-CE 4.21Å; M672-K674 VanDerWaalsContact O-CD 3.26Å; M672-K674 WeakPolarHBondContact O-CD 3.04Å; M672-K674 WeakPolarHBondContact O-CE 3.48Å; M672-K674 PolarHBondContact O-NZ 3.44Å; M672-F2199 HydrophobicContact CE-CE1 4.41Å
673	K	83.1	Confident	84.2	Confident	112 Å²	112	41 Å²	41	49%	0.487	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-75.2	133.9	-171	-54.4	-166.2	-174.9	-136.3	0	112.5	E620 D623 T671	E620-K673 WeakPolarHBondContact O-CD 3.38Å; E620-K673 PolarHBondContact O-NZ 2.84Å; D623-K673 HydrophobicContact CB-CB 4.25Å; T671-K673 PolarHBondContact O-N 3.28Å
674	K	90.2	Very high	85.2	Confident	35 Å²	35	41.5 Å²	41.5	15%	0.152	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	157.2	-169.7	-71.1	83	-174.6	157.9	0	112.1	V622 D623 L638 E650 S670 M672 F718	V622-K674 WeakPolarHBondContact CA-O 3.34Å; D623-K674 PolarHBondContact N-O 2.8Å; L638-K674 HydrophobicContact CD2-CB 4Å; E650-K674 WeakPolarHBondContact OE2-CE 3.39Å; E650-K674 IonicContact OE2-NZ 2.68Å; E650-K674 PolarHBondContact OE2-NZ 3.43Å; S670-K674 PolarHBondContact O-NZ 3.31Å; M672-K674 VanDerWaalsContact O-CD 3.26Å; M672-K674 WeakPolarHBondContact O-CD 3.04Å; M672-K674 WeakPolarHBondContact O-CE 3.48Å; M672-K674 PolarHBondContact O-NZ 3.44Å; K674-F718 HydrophobicContact CG-CE1 4.08Å; K674-F718 HydrophobicContact CG-CE2 4.31Å; K674-F718 HydrophobicContact CG-CZ 3.87Å
675	V	91.5	Very high	86.2	Confident	23 Å²	23	40 Å²	40	14%	0.139	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.5	179.9	-179.4	0	0	0	0	110.5	K624 L638 V639 E677	K624-V675 HydrophobicContact CB-CG1 4.32Å; K624-V675 HydrophobicContact CB-CG2 4.41Å; K624-V675 CarbonylContact O-C 3.59Å; K624-V675 WeakPolarHBondContact O-CA 3.36Å; K624-V675 WeakPolarHBondContact O-CG1 3.26Å; L638-V675 CarbonylContact C-O 3.54Å; L638-V675 WeakPolarHBondContact CA-O 3.28Å; V639-V675 HydrophobicContact CB-CB 4.37Å; V639-V675 PolarHBondContact N-O 3.16Å; V639-V675 WeakPolarHBondContact O-CB 3.32Å; V639-V675 PolarHBondContact O-N 2.91Å; V675-E677 PolarHBondContact O-N 2.84Å
676	F	93.6	Very high	87	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	103.7	-179.5	-169.6	-116.4	0	0	0	111.7	F614 V622 K624 T625 A626 C636 L638 I678 F709 A712	F614-F676 HydrophobicContact CD1-CD1 4.45Å; F614-F676 AromaticContact CD1-CE1 3.92Å; F614-F676 HydrophobicContact CD1-CE1 3.92Å; F614-F676 HydrophobicContact CD2-CD1 4.39Å; F614-F676 HydrophobicContact CD2-CE1 4.04Å; F614-F676 AromaticContact CE1-CE1 3.82Å; F614-F676 HydrophobicContact CE1-CE1 3.82Å; F614-F676 HydrophobicContact CE1-CZ 4.39Å; F614-F676 AromaticContact CE2-CE1 3.94Å; F614-F676 HydrophobicContact CE2-CE1 3.94Å; F614-F676 HydrophobicContact CG-CD1 4.28Å; F614-F676 HydrophobicContact CG-CE1 4.05Å; F614-F676 AromaticContact CZ-CE1 3.84Å; F614-F676 HydrophobicContact CZ-CE1 3.84Å; F614-F676 HydrophobicContact CZ-CZ 4.47Å; V622-F676 HydrophobicContact CG1-CB 3.71Å; V622-F676 HydrophobicContact CG2-CB 4.05Å; K624-F676 PolarHBondContact O-N 3.08Å; T625-F676 WeakPolarHBondContact CA-O 3.44Å; A626-F676 PolarHBondContact N-O 2.66Å; C636-F676 HydrophobicContact CB-CE1 4.37Å; C636-F676 HydrophobicContact CB-CE2 3.78Å; C636-F676 HydrophobicContact CB-CZ 3.62Å; L638-F676 HydrophobicContact CD2-CB 4.08Å; L638-F676 HydrophobicContact CD2-CD2 3.81Å; L638-F676 HydrophobicContact CD2-CG 4.45Å; L638-F676 HydrophobicContact CG-CD2 4.19Å; F676-I678 HydrophobicContact CD1-CG2 3.74Å; F676-I678 HydrophobicContact CE1-CG2 3.49Å; F676-I678 VanDerWaalsContact CE1-CG2 3.49Å; F676-I678 HydrophobicContact CZ-CG2 4.31Å; F676-F709 HydrophobicContact CD2-CD2 4.28Å; F676-F709 HydrophobicContact CE2-CD2 4.27Å; F676-A712 HydrophobicContact CE2-CB 3.97Å
677	E	92.8	Very high	87.7	Confident	11 Å²	11	50 Å²	50	5%	0.051	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.2	176.7	-89.3	-161.2	-178	0	0	111.8	A626 S628 R630 L631 C636 A637 V639 V675	A626-E677 HydrophobicContact CB-CG 4.45Å; A626-E677 WeakPolarHBondContact O-CA 3.18Å; S628-E677 WeakPolarHBondContact CA-OE2 3.43Å; S628-E677 WeakPolarHBondContact CB-OE2 3.49Å; S628-E677 PolarHBondContact OG-OE2 3.23Å; R630-E677 WeakPolarHBondContact CG-OE2 3.44Å; R630-E677 IonicContact CZ-OE1 3.6Å; R630-E677 IonicContact CZ-OE2 2.58Å; R630-E677 VanDerWaalsContact NE-CD 3.3Å; R630-E677 IonicContact NE-OE1 2.78Å; R630-E677 PolarHBondContact NE-OE1 3.08Å; R630-E677 VanDerWaalsContact NE-OE1 3.13Å; R630-E677 IonicContact NE-OE2 2.8Å; R630-E677 PolarHBondContact NE-OE2 3.38Å; R630-E677 IonicContact NH2-OE1 2.77Å; R630-E677 PolarHBondContact NH2-OE1 3.13Å; R630-E677 IonicContact NH2-OE2 2.73Å; L631-E677 WeakPolarHBondContact CD1-O 3.29Å; C636-E677 CarbonylContact C-O 3.52Å; C636-E677 WeakPolarHBondContact CA-O 3.22Å; A637-E677 PolarHBondContact N-O 2.93Å; A637-E677 PolarHBondContact O-N 3.03Å; V639-E677 HydrophobicContact CG2-CB 4.2Å; V639-E677 HydrophobicContact CG2-CG 3.96Å; V675-E677 PolarHBondContact O-N 2.84Å
678	I	93.4	Very high	88.3	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	146.7	176.1	67.3	166.7	0	0	0	112.8	F607 L610 L611 F614 A626 L627 S628 C636 F676 P680 M685	F607-I678 HydrophobicContact CD1-CD1 4.49Å; L610-I678 HydrophobicContact CD2-CD1 3.67Å; L610-I678 HydrophobicContact CG-CD1 4.12Å; L611-I678 HydrophobicContact CD2-CD1 3.64Å; L611-I678 HydrophobicContact CD2-CG1 3.86Å; L611-I678 HydrophobicContact CG-CD1 4.35Å; F614-I678 HydrophobicContact CD2-CG2 4.29Å; F614-I678 HydrophobicContact CE2-CG2 3.97Å; A626-I678 PolarHBondContact O-N 2.91Å; L627-I678 HydrophobicContact CD2-CD1 3.77Å; L627-I678 HydrophobicContact CD2-CG1 3.55Å; S628-I678 WeakPolarHBondContact CB-O 3.29Å; S628-I678 PolarHBondContact N-O 3.09Å; C636-I678 HydrophobicContact CB-CG2 4.42Å; F676-I678 HydrophobicContact CD1-CG2 3.74Å; F676-I678 HydrophobicContact CE1-CG2 3.49Å; F676-I678 VanDerWaalsContact CE1-CG2 3.49Å; F676-I678 HydrophobicContact CZ-CG2 4.31Å; I678-P680 VanDerWaalsContact O-CD 3.27Å; I678-P680 WeakPolarHBondContact O-CD 3.31Å; I678-M685 HydrophobicContact CB-CE 3.99Å; I678-M685 HydrophobicContact CB-CG 4.39Å; I678-M685 HydrophobicContact CB-SD 4.22Å; I678-M685 HydrophobicContact CG2-CE 3.7Å; I678-M685 HydrophobicContact CG2-SD 4.22Å
679	N	93	Very high	88.7	Confident	4 Å²	4	46 Å²	46	2%	0.021	22%	0.222	C	C	.	.			trans	-95.8	102.2	177	179.8	-4	0	0	0	110.9	L631 S632 T634 P635 R681 H682	L631-N679 HydrophobicContact CB-CB 4.01Å; L631-N679 HydrophobicContact CD1-CB 4.1Å; S632-N679 VanDerWaalsContact C-ND2 3.28Å; S632-N679 PolarHBondContact O-ND2 3.49Å; S632-N679 VanDerWaalsContact O-ND2 3.16Å; T634-N679 VanDerWaalsContact O-CB 3.22Å; T634-N679 WeakPolarHBondContact O-CB 3.05Å; T634-N679 PolarHBondContact O-ND2 3.31Å; P635-N679 VanDerWaalsContact O-CB 3.3Å; P635-N679 WeakPolarHBondContact O-CB 3.41Å; P635-N679 PolarHBondContact O-N 3.16Å; N679-R681 PolarHBondContact O-N 3.27Å; N679-R681 VanDerWaalsContact OD1-CB 3.24Å; N679-R681 WeakPolarHBondContact OD1-CB 3.3Å; N679-R681 PolarHBondContact OD1-N 3.25Å; N679-H682 HydrophobicContact CB-CB 4.23Å; N679-H682 PolarHBondContact O-N 2.87Å
680	P	89.4	Confident	89.1	Confident	10 Å²	10	48.7 Å²	48.7	7%	0.065	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.3	-178.2	29.9	-38	0	0	0	113.2	L603 F607 L627 I678 K686	L603-P680 HydrophobicContact CD1-CG 4.19Å; L603-P680 HydrophobicContact CD2-CB 4.43Å; F607-P680 HydrophobicContact CD2-CB 3.78Å; F607-P680 HydrophobicContact CE1-CB 4.29Å; F607-P680 HydrophobicContact CE2-CB 3.5Å; F607-P680 HydrophobicContact CG-CB 4.3Å; F607-P680 HydrophobicContact CZ-CB 3.77Å; L627-P680 HydrophobicContact CD1-CB 4.36Å; L627-P680 HydrophobicContact CD1-CG 4.19Å; L627-P680 HydrophobicContact CD2-CB 4.4Å; L627-P680 HydrophobicContact CD2-CG 4.47Å; I678-P680 VanDerWaalsContact O-CD 3.27Å; I678-P680 WeakPolarHBondContact O-CD 3.31Å; P680-K686 WeakPolarHBondContact O-CE 3.36Å
681	R	87.4	Confident	89.5	Confident	178 Å²	178	50.7 Å²	50.7	67%	0.672	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-22.5	176.3	-51.6	173.6	63.6	98.5	-0.5	112.2	N679	N679-R681 PolarHBondContact O-N 3.27Å; N679-R681 VanDerWaalsContact OD1-CB 3.24Å; N679-R681 WeakPolarHBondContact OD1-CB 3.3Å; N679-R681 PolarHBondContact OD1-N 3.25Å
682	H	92.8	Very high	89.8	Confident	42 Å²	42	48.6 Å²	48.6	19%	0.194	24%	0.236	C	C	.	.	S	Bend	trans	-74.4	135.4	-170.9	-167.4	-106	0	0	0	112.1	N633 P635 N679 V684 M685 K686	N633-H682 PolarHBondContact O-CD2 3.46Å; P635-H682 WeakPolarHBondContact CB-ND1 3.35Å; N679-H682 HydrophobicContact CB-CB 4.23Å; N679-H682 PolarHBondContact O-N 2.87Å; H682-V684 VanDerWaalsContact CE1-CG2 3.48Å; H682-V684 WeakPolarHBondContact CE1-CG2 3.37Å; H682-V684 WeakPolarHBondContact ND1-CB 3.16Å; H682-V684 PolarHBondContact ND1-N 2.76Å; H682-V684 PolarHBondContact O-N 2.65Å; H682-V684 VanDerWaalsContact O-N 3.14Å; H682-M685 PolarHBondContact O-N 3.23Å; H682-K686 PolarHBondContact O-N 2.89Å; H682-K686 VanDerWaalsContact O-N 3.12Å
683	P	91.7	Very high	89.9	Confident	83 Å²	83	52.4 Å²	52.4	54%	0.539	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-23.1	-176.4	23.2	-35.9	0	0	0	114.6	K687	P683-K687 VanDerWaalsContact O-CG 3.32Å; P683-K687 WeakPolarHBondContact O-CG 3.47Å; P683-K687 PolarHBondContact O-N 2.8Å; P683-K687 VanDerWaalsContact O-N 3.16Å
684	V	90.3	Very high	90.1	Very high	48 Å²	48	52.5 Å²	52.5	29%	0.291	26%	0.261	S	S	.	.	H	α-helix	trans	-71.4	-50	174.3	179.1	0	0	0	0	110.6	H682 K686 K687 L688 L708	H682-V684 VanDerWaalsContact CE1-CG2 3.48Å; H682-V684 WeakPolarHBondContact CE1-CG2 3.37Å; H682-V684 WeakPolarHBondContact ND1-CB 3.16Å; H682-V684 PolarHBondContact ND1-N 2.76Å; H682-V684 PolarHBondContact O-N 2.65Å; H682-V684 VanDerWaalsContact O-N 3.14Å; V684-K686 VanDerWaalsContact C-N 3.3Å; V684-K686 PolarHBondContact O-N 3.18Å; V684-K687 CarbonylContact O-C 2.97Å; V684-K687 WeakPolarHBondContact O-CA 3.2Å; V684-K687 WeakPolarHBondContact O-CB 3.12Å; V684-K687 PolarHBondContact O-N 2.85Å; V684-L688 HydrophobicContact CG1-CD1 3.92Å; V684-L688 HydrophobicContact CG1-CG 4.32Å; V684-L688 WeakPolarHBondContact O-CG 3.07Å; V684-L688 PolarHBondContact O-N 2.88Å; V684-L708 HydrophobicContact CG1-CD1 3.77Å; V684-L708 HydrophobicContact CG1-CD2 4.5Å
685	M	91.7	Very high	89.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-37.3	178.3	-65.4	-55.8	179.9	0	0	112.3	F607 L610 F614 P635 C636 I678 H682 K687 L688 N689	F607-M685 HydrophobicContact CE1-CB 4.47Å; L610-M685 HydrophobicContact CD2-CB 4.37Å; L610-M685 HydrophobicContact CD2-SD 4.15Å; F614-M685 HydrophobicContact CE2-CE 4.48Å; F614-M685 HydrophobicContact CE2-SD 4.16Å; F614-M685 HydrophobicContact CZ-CE 4.36Å; F614-M685 HydrophobicContact CZ-SD 4.29Å; P635-M685 HydrophobicContact CB-CE 4.29Å; P635-M685 WeakPolarHBondContact O-CE 3.42Å; C636-M685 HydrophobicContact CB-CE 3.61Å; I678-M685 HydrophobicContact CB-CE 3.99Å; I678-M685 HydrophobicContact CB-CG 4.39Å; I678-M685 HydrophobicContact CB-SD 4.22Å; I678-M685 HydrophobicContact CG2-CE 3.7Å; I678-M685 HydrophobicContact CG2-SD 4.22Å; H682-M685 PolarHBondContact O-N 3.23Å; M685-K687 PolarHBondContact O-N 2.94Å; M685-L688 PolarHBondContact O-N 3.28Å; M685-L688 HydrophobicContact SD-CD1 3.99Å; M685-N689 WeakPolarHBondContact O-CB 3.47Å; M685-N689 PolarHBondContact O-N 2.71Å
686	K	90.3	Very high	89.2	Confident	96 Å²	96	57.8 Å²	57.8	42%	0.417	29%	0.286	S	S	.	.	H	α-helix	trans	-62.4	-39.5	171.8	-68.5	-166.7	174.1	-129.1	0	113	F607 P680 H682 V684 V690	F607-K686 HydrophobicContact CZ-CG 4.18Å; P680-K686 WeakPolarHBondContact O-CE 3.36Å; H682-K686 PolarHBondContact O-N 2.89Å; H682-K686 VanDerWaalsContact O-N 3.12Å; V684-K686 VanDerWaalsContact C-N 3.3Å; V684-K686 PolarHBondContact O-N 3.18Å; K686-V690 WeakPolarHBondContact O-CG2 3.37Å; K686-V690 PolarHBondContact O-N 2.89Å
687	K	89.9	Confident	88.4	Confident	146 Å²	146	64 Å²	64	64%	0.635	32%	0.32	S	S	*	.	H	α-helix	trans	-68.9	-42.7	174.9	-78.5	176.6	176.5	-175.6	0	112	P683 V684 M685 V690 L691	P683-K687 VanDerWaalsContact O-CG 3.32Å; P683-K687 WeakPolarHBondContact O-CG 3.47Å; P683-K687 PolarHBondContact O-N 2.8Å; P683-K687 VanDerWaalsContact O-N 3.16Å; V684-K687 CarbonylContact O-C 2.97Å; V684-K687 WeakPolarHBondContact O-CA 3.2Å; V684-K687 WeakPolarHBondContact O-CB 3.12Å; V684-K687 PolarHBondContact O-N 2.85Å; M685-K687 PolarHBondContact O-N 2.94Å; K687-V690 PolarHBondContact O-N 3.39Å; K687-L691 WeakPolarHBondContact O-CB 3.32Å; K687-L691 VanDerWaalsContact O-CG 3.28Å; K687-L691 WeakPolarHBondContact O-CG 3.19Å; K687-L691 PolarHBondContact O-N 3.23Å
688	L	89	Confident	87.7	Confident	7 Å²	7	65.7 Å²	65.7	4%	0.037	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-45.4	177.8	-69.3	170.1	0	0	0	111.5	L610 F614 V684 M685 V690 L691 I692 I701 T704 L708	L610-L688 HydrophobicContact CD1-CB 3.92Å; F614-L688 HydrophobicContact CZ-CD1 4.42Å; V684-L688 HydrophobicContact CG1-CD1 3.92Å; V684-L688 HydrophobicContact CG1-CG 4.32Å; V684-L688 WeakPolarHBondContact O-CG 3.07Å; V684-L688 PolarHBondContact O-N 2.88Å; M685-L688 PolarHBondContact O-N 3.28Å; M685-L688 HydrophobicContact SD-CD1 3.99Å; L688-V690 VanDerWaalsContact C-N 3.32Å; L688-V690 PolarHBondContact O-N 3.44Å; L688-L691 PolarHBondContact O-N 3.01Å; L688-L691 VanDerWaalsContact O-N 3.13Å; L688-I692 WeakPolarHBondContact O-CG1 3.13Å; L688-I692 PolarHBondContact O-N 3.35Å; L688-I701 HydrophobicContact CD2-CG2 3.98Å; L688-T704 HydrophobicContact CD2-CG2 4.36Å; L688-L708 HydrophobicContact CD1-CD1 3.65Å
689	N	89.5	Confident	87.1	Confident	4 Å²	4	70.4 Å²	70.4	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-57.5	-43.2	174.2	-167.5	-4.3	0	0	0	111.7	E606 F607 L610 M685 K693	E606-N689 PolarHBondContact O-ND2 3.04Å; F607-N689 HydrophobicContact CD1-CB 4.04Å; F607-N689 WeakPolarHBondContact CD1-ND2 3.15Å; F607-N689 HydrophobicContact CE1-CB 3.83Å; F607-N689 WeakPolarHBondContact CE1-ND2 3.16Å; F607-N689 WeakPolarHBondContact CG-ND2 3.19Å; L610-N689 HydrophobicContact CB-CB 4.41Å; L610-N689 HydrophobicContact CD2-CB 4.26Å; M685-N689 WeakPolarHBondContact O-CB 3.47Å; M685-N689 PolarHBondContact O-N 2.71Å; N689-K693 PolarHBondContact ND2-NZ 3.43Å; N689-K693 WeakPolarHBondContact O-CB 3.39Å; N689-K693 WeakPolarHBondContact O-CD 3.23Å; N689-K693 VanDerWaalsContact O-CG 3.27Å; N689-K693 WeakPolarHBondContact O-CG 3.43Å; N689-K693 PolarHBondContact O-N 3.46Å; N689-K693 VanDerWaalsContact O-N 3.14Å; N689-K693 WeakPolarHBondContact OD1-CD 3.37Å; N689-K693 WeakPolarHBondContact OD1-CE 3.43Å; N689-K693 PolarHBondContact OD1-NZ 3.33Å
690	V	89.1	Confident	86.6	Confident	94 Å²	94	74.2 Å²	74.2	57%	0.57	38%	0.383	S	S	*	.	H	α-helix	trans	-67.6	-38.6	174.9	170	0	0	0	0	112.6	K686 K687 L688 T694	K686-V690 WeakPolarHBondContact O-CG2 3.37Å; K686-V690 PolarHBondContact O-N 2.89Å; K687-V690 PolarHBondContact O-N 3.39Å; L688-V690 VanDerWaalsContact C-N 3.32Å; L688-V690 PolarHBondContact O-N 3.44Å; V690-T694 WeakPolarHBondContact O-CB 3.26Å; V690-T694 PolarHBondContact O-N 2.8Å; V690-T694 PolarHBondContact O-OG1 2.83Å
691	L	87	Confident	86.3	Confident	75 Å²	75	73.9 Å²	73.9	39%	0.393	38%	0.381	S	S	.	.	H	α-helix	trans	-67	-49.1	179.4	-76.3	169.3	0	0	0	111.1	K687 L688 K693 T694 N695 I701	K687-L691 WeakPolarHBondContact O-CB 3.32Å; K687-L691 VanDerWaalsContact O-CG 3.28Å; K687-L691 WeakPolarHBondContact O-CG 3.19Å; K687-L691 PolarHBondContact O-N 3.23Å; L688-L691 PolarHBondContact O-N 3.01Å; L688-L691 VanDerWaalsContact O-N 3.13Å; L691-K693 VanDerWaalsContact C-N 3.32Å; L691-K693 PolarHBondContact O-N 3.33Å; L691-T694 CarbonylContact O-C 3.34Å; L691-T694 WeakPolarHBondContact O-CA 3.33Å; L691-T694 WeakPolarHBondContact O-CB 3.47Å; L691-T694 PolarHBondContact O-N 2.84Å; L691-N695 PolarHBondContact O-N 2.88Å; L691-I701 HydrophobicContact CB-CD1 3.8Å; L691-I701 HydrophobicContact CB-CG1 4.11Å; L691-I701 HydrophobicContact CD1-CG1 4.44Å
692	I	87	Confident	86.2	Confident	16 Å²	16	68 Å²	68	8%	0.082	37%	0.366	C	S	.	.	H	α-helix	trans	-60.6	-41.6	177.1	-68	164.8	0	0	0	111	L610 W613 L688 T694 N695 K696 I701	L610-I692 HydrophobicContact CD1-CD1 3.36Å; W613-I692 HydrophobicContact CB-CD1 3.98Å; W613-I692 HydrophobicContact CB-CG2 4.41Å; W613-I692 HydrophobicContact CD2-CD1 3.56Å; W613-I692 HydrophobicContact CD2-CG1 4.23Å; W613-I692 HydrophobicContact CE3-CD1 3.95Å; W613-I692 HydrophobicContact CG-CD1 3.59Å; W613-I692 HydrophobicContact CG-CG1 4.16Å; W613-I692 HydrophobicContact CG-CG2 4.28Å; L688-I692 WeakPolarHBondContact O-CG1 3.13Å; L688-I692 PolarHBondContact O-N 3.35Å; I692-T694 PolarHBondContact O-N 2.94Å; I692-T694 VanDerWaalsContact O-N 3.16Å; I692-N695 PolarHBondContact O-N 3.12Å; I692-K696 HydrophobicContact CG2-CG 4.49Å; I692-I701 HydrophobicContact CD1-CG2 4.25Å; I692-I701 HydrophobicContact CG1-CD1 4.16Å; I692-I701 HydrophobicContact CG1-CG2 3.97Å
693	K	85.1	Confident	85.8	Confident	116 Å²	116	67.9 Å²	67.9	50%	0.504	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-10	172.5	-74	171.8	176	159.8	0	114.5	E606 N689 L691	E606-K693 PolarHBondContact O-NZ 3.19Å; N689-K693 PolarHBondContact ND2-NZ 3.43Å; N689-K693 WeakPolarHBondContact O-CB 3.39Å; N689-K693 WeakPolarHBondContact O-CD 3.23Å; N689-K693 VanDerWaalsContact O-CG 3.27Å; N689-K693 WeakPolarHBondContact O-CG 3.43Å; N689-K693 PolarHBondContact O-N 3.46Å; N689-K693 VanDerWaalsContact O-N 3.14Å; N689-K693 WeakPolarHBondContact OD1-CD 3.37Å; N689-K693 WeakPolarHBondContact OD1-CE 3.43Å; N689-K693 PolarHBondContact OD1-NZ 3.33Å; L691-K693 VanDerWaalsContact C-N 3.32Å; L691-K693 PolarHBondContact O-N 3.33Å
694	T	86.7	Confident	85.5	Confident	115 Å²	115	66.1 Å²	66.1	71%	0.706	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-36.3	177.1	-54.8	0	0	0	0	112.3	V690 L691 I692	V690-T694 WeakPolarHBondContact O-CB 3.26Å; V690-T694 PolarHBondContact O-N 2.8Å; V690-T694 PolarHBondContact O-OG1 2.83Å; L691-T694 CarbonylContact O-C 3.34Å; L691-T694 WeakPolarHBondContact O-CA 3.33Å; L691-T694 WeakPolarHBondContact O-CB 3.47Å; L691-T694 PolarHBondContact O-N 2.84Å; I692-T694 PolarHBondContact O-N 2.94Å; I692-T694 VanDerWaalsContact O-N 3.16Å
695	N	82.7	Confident	85.3	Confident	77 Å²	77	63.9 Å²	63.9	41%	0.412	34%	0.34	S	S	.	.			trans	-162.6	106.8	-177.5	-173.2	29.5	0	0	0	109.1	L691 I692 D697 I701	L691-N695 PolarHBondContact O-N 2.88Å; I692-N695 PolarHBondContact O-N 3.12Å; N695-D697 PolarHBondContact O-N 3.48Å; N695-I701 WeakPolarHBondContact O-CD1 3.45Å
696	K	80.1	Confident	85.2	Confident	91 Å²	91	66.5 Å²	66.5	40%	0.396	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-28.5	-179.6	-164.3	-173.5	-178	-175.7	0	112.2	W613 E616 I692	W613-K696 PolarHBondContact NE1-O 2.99Å; E616-K696 IonicContact OE1-NZ 3.92Å; E616-K696 PolarHBondContact OE1-NZ 2.84Å; E616-K696 WeakPolarHBondContact OE2-CE 3.2Å; E616-K696 IonicContact OE2-NZ 2.69Å; E616-K696 PolarHBondContact OE2-NZ 2.79Å; I692-K696 HydrophobicContact CG2-CG 4.49Å
697	D	78.1	Confident	85.1	Confident	132 Å²	132	63.7 Å²	63.7	71%	0.706	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	20.8	-161.2	-38	-46.1	0	0	0	113.7	N695 P699	N695-D697 PolarHBondContact O-N 3.48Å; D697-P699 WeakPolarHBondContact O-CD 3.32Å
698	D	78.8	Confident	85.2	Confident	45 Å²	45	57.9 Å²	57.9	24%	0.241	32%	0.319	C	S	.	.			trans	-75.4	118.2	175	-173.6	-19.1	0	0	0	109.8	T700 I701	D698-T700 PolarHBondContact O-N 3.43Å; D698-T700 WeakPolarHBondContact OD1-CB 3.34Å; D698-T700 PolarHBondContact OD1-N 3.05Å; D698-T700 PolarHBondContact OD1-OG1 3.05Å; D698-I701 HydrophobicContact CB-CD1 3.74Å; D698-I701 HydrophobicContact CB-CG1 3.87Å; D698-I701 WeakPolarHBondContact O-CB 3.39Å; D698-I701 PolarHBondContact O-N 3.03Å
699	P	80.1	Confident	85.4	Confident	99 Å²	99	58.5 Å²	58.5	64%	0.643	32%	0.322	S	S	*	.	H	α-helix	trans	-62	-18.3	179	26.7	-35.7	0	0	0	112.7	D697 I701 H703	D697-P699 WeakPolarHBondContact O-CD 3.32Å; P699-I701 VanDerWaalsContact C-N 3.28Å; P699-I701 PolarHBondContact O-N 2.71Å; P699-H703 VanDerWaalsContact O-CB 3.3Å; P699-H703 WeakPolarHBondContact O-CB 3.26Å; P699-H703 PolarHBondContact O-N 3.23Å
700	T	81.8	Confident	85.4	Confident	85 Å²	85	58.7 Å²	58.7	52%	0.521	32%	0.323	S	S	.	.	H	α-helix	trans	-63.9	-33.4	170.6	-40.8	0	0	0	0	111.6	D698 T704	D698-T700 PolarHBondContact O-N 3.43Å; D698-T700 WeakPolarHBondContact OD1-CB 3.34Å; D698-T700 PolarHBondContact OD1-N 3.05Å; D698-T700 PolarHBondContact OD1-OG1 3.05Å; T700-T704 WeakPolarHBondContact O-CB 3.37Å; T700-T704 PolarHBondContact O-N 3.2Å; T700-T704 PolarHBondContact O-OG1 3Å
701	I	84	Confident	85.5	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.015	31%	0.314	C	S	.	.	H	α-helix	trans	-72.2	-50	178.7	-56.1	168.1	0	0	0	109.4	W613 L688 L691 I692 N695 D698 P699 T704 A705	W613-I701 HydrophobicContact CH2-CB 4.43Å; W613-I701 HydrophobicContact CH2-CG2 3.57Å; W613-I701 HydrophobicContact CZ2-CB 4.04Å; W613-I701 HydrophobicContact CZ2-CG2 3.35Å; W613-I701 HydrophobicContact CZ3-CG2 4.31Å; L688-I701 HydrophobicContact CD2-CG2 3.98Å; L691-I701 HydrophobicContact CB-CD1 3.8Å; L691-I701 HydrophobicContact CB-CG1 4.11Å; L691-I701 HydrophobicContact CD1-CG1 4.44Å; I692-I701 HydrophobicContact CD1-CG2 4.25Å; I692-I701 HydrophobicContact CG1-CD1 4.16Å; I692-I701 HydrophobicContact CG1-CG2 3.97Å; N695-I701 WeakPolarHBondContact O-CD1 3.45Å; D698-I701 HydrophobicContact CB-CD1 3.74Å; D698-I701 HydrophobicContact CB-CG1 3.87Å; D698-I701 WeakPolarHBondContact O-CB 3.39Å; D698-I701 PolarHBondContact O-N 3.03Å; P699-I701 VanDerWaalsContact C-N 3.28Å; P699-I701 PolarHBondContact O-N 2.71Å; I701-T704 PolarHBondContact O-N 2.82Å; I701-A705 VanDerWaalsContact O-CB 3.31Å; I701-A705 WeakPolarHBondContact O-CB 3.47Å; I701-A705 PolarHBondContact O-N 2.74Å
702	S	85.2	Confident	85.8	Confident	53 Å²	53	53.8 Å²	53.8	37%	0.371	30%	0.296	S	S	.	.	H	α-helix	trans	-54	-55.6	173.7	163.2	0	0	0	0	111.7	T704 A705 N706	S702-T704 VanDerWaalsContact C-N 3.26Å; S702-T704 PolarHBondContact O-N 3.47Å; S702-A705 WeakPolarHBondContact O-CB 3.35Å; S702-A705 PolarHBondContact O-N 3.49Å; S702-N706 PolarHBondContact O-N 2.91Å; S702-N706 PolarHBondContact O-OD1 2.83Å
703	H	83.6	Confident	86	Confident	40 Å²	40	53.6 Å²	53.6	19%	0.185	30%	0.296	C	S	.	.	H	α-helix	trans	-60.8	-32.5	179.6	-180	65.6	0	0	0	113.5	P699 L707 K736	P699-H703 VanDerWaalsContact O-CB 3.3Å; P699-H703 WeakPolarHBondContact O-CB 3.26Å; P699-H703 PolarHBondContact O-N 3.23Å; H703-L707 WeakPolarHBondContact O-CB 3.24Å; H703-L707 PolarHBondContact O-N 3.18Å; H703-K736 PolarHBondContact CD2-NZ 3.24Å; H703-K736 PolarHBondContact NE2-NZ 2.92Å
704	T	85.7	Confident	86.3	Confident	47 Å²	47	52.4 Å²	52.4	29%	0.288	30%	0.295	S	S	.	.	H	α-helix	trans	-75.2	-33.8	174.1	-57.2	0	0	0	0	112	L688 T700 I701 S702 L708	L688-T704 HydrophobicContact CD2-CG2 4.36Å; T700-T704 WeakPolarHBondContact O-CB 3.37Å; T700-T704 PolarHBondContact O-N 3.2Å; T700-T704 PolarHBondContact O-OG1 3Å; I701-T704 PolarHBondContact O-N 2.82Å; S702-T704 VanDerWaalsContact C-N 3.26Å; S702-T704 PolarHBondContact O-N 3.47Å; T704-L708 HydrophobicContact CG2-CD1 3.98Å; T704-L708 HydrophobicContact CG2-CG 4.47Å; T704-L708 WeakPolarHBondContact O-CB 3.41Å; T704-L708 WeakPolarHBondContact O-CD1 3.39Å; T704-L708 WeakPolarHBondContact O-CG 3.4Å; T704-L708 PolarHBondContact O-N 3.4Å
705	A	86.8	Confident	86.5	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.5	-49.1	178.4	0	0	0	0	0	111.6	W613 F614 I701 S702 L707 L708 F709	W613-A705 HydrophobicContact CH2-CB 3.49Å; W613-A705 VanDerWaalsContact CH2-CB 3.49Å; W613-A705 HydrophobicContact CZ3-CB 3.47Å; W613-A705 VanDerWaalsContact CZ3-CB 3.47Å; F614-A705 HydrophobicContact CE1-CB 3.85Å; I701-A705 VanDerWaalsContact O-CB 3.31Å; I701-A705 WeakPolarHBondContact O-CB 3.47Å; I701-A705 PolarHBondContact O-N 2.74Å; S702-A705 WeakPolarHBondContact O-CB 3.35Å; S702-A705 PolarHBondContact O-N 3.49Å; A705-L707 VanDerWaalsContact C-N 3.33Å; A705-L707 PolarHBondContact O-N 2.88Å; A705-L708 CarbonylContact O-C 3.59Å; A705-L708 WeakPolarHBondContact O-CA 3.1Å; A705-L708 WeakPolarHBondContact O-CB 3.44Å; A705-L708 PolarHBondContact O-N 3.49Å; A705-F709 PolarHBondContact O-N 3.34Å
706	N	88.1	Confident	86.8	Confident	55 Å²	55	48.4 Å²	48.4	29%	0.294	26%	0.263	S	S	.	.	H	α-helix	trans	-60.7	-44.7	178.1	-62.3	33.8	0	0	0	110	S702 L708 F709 D710	S702-N706 PolarHBondContact O-N 2.91Å; S702-N706 PolarHBondContact O-OD1 2.83Å; N706-L708 VanDerWaalsContact C-N 3.32Å; N706-L708 PolarHBondContact O-N 2.91Å; N706-F709 CarbonylContact O-C 3.39Å; N706-F709 WeakPolarHBondContact O-CA 3.13Å; N706-F709 WeakPolarHBondContact O-CB 3.39Å; N706-F709 PolarHBondContact O-N 3.27Å; N706-D710 PolarHBondContact O-N 2.67Å; N706-D710 VanDerWaalsContact O-OD2 3.09Å
707	L	89.8	Confident	87.1	Confident	38 Å²	38	44.8 Å²	44.8	20%	0.199	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-36.2	173.8	-173.5	74.5	0	0	0	113.6	H703 A705 F709 D710 V711 F726 R729 V730 V733	H703-L707 WeakPolarHBondContact O-CB 3.24Å; H703-L707 PolarHBondContact O-N 3.18Å; A705-L707 VanDerWaalsContact C-N 3.33Å; A705-L707 PolarHBondContact O-N 2.88Å; L707-F709 VanDerWaalsContact C-N 3.33Å; L707-D710 WeakPolarHBondContact CA-OD2 3.27Å; L707-V711 WeakPolarHBondContact O-CB 3.42Å; L707-V711 VanDerWaalsContact O-CG2 3.22Å; L707-V711 WeakPolarHBondContact O-CG2 3.1Å; L707-V711 PolarHBondContact O-N 2.93Å; L707-V711 VanDerWaalsContact O-N 3.12Å; L707-F726 HydrophobicContact CD1-CE2 4.18Å; L707-R729 HydrophobicContact CD1-CB 4.48Å; L707-V730 HydrophobicContact CD1-CG2 4.14Å; L707-V733 HydrophobicContact CD2-CG2 3.89Å
708	L	91.4	Very high	87.7	Confident	23 Å²	23	39.2 Å²	39.2	12%	0.12	22%	0.221	C	C	.	.	H	α-helix	trans	-73.2	-26.3	174.7	-77.5	167.7	0	0	0	112.8	P635 C636 V684 L688 T704 A705 N706 A712	P635-L708 HydrophobicContact CB-CD2 4.34Å; P635-L708 HydrophobicContact CG-CD2 4.19Å; C636-L708 PolarHBondContact SG-O 3.41Å; V684-L708 HydrophobicContact CG1-CD1 3.77Å; V684-L708 HydrophobicContact CG1-CD2 4.5Å; L688-L708 HydrophobicContact CD1-CD1 3.65Å; T704-L708 HydrophobicContact CG2-CD1 3.98Å; T704-L708 HydrophobicContact CG2-CG 4.47Å; T704-L708 WeakPolarHBondContact O-CB 3.41Å; T704-L708 WeakPolarHBondContact O-CD1 3.39Å; T704-L708 WeakPolarHBondContact O-CG 3.4Å; T704-L708 PolarHBondContact O-N 3.4Å; A705-L708 CarbonylContact O-C 3.59Å; A705-L708 WeakPolarHBondContact O-CA 3.1Å; A705-L708 WeakPolarHBondContact O-CB 3.44Å; A705-L708 PolarHBondContact O-N 3.49Å; N706-L708 VanDerWaalsContact C-N 3.32Å; N706-L708 PolarHBondContact O-N 2.91Å; L708-A712 VanDerWaalsContact O-CB 3.31Å; L708-A712 WeakPolarHBondContact O-CB 3.41Å; L708-A712 PolarHBondContact O-N 3.33Å; L708-A712 VanDerWaalsContact O-N 3.15Å
709	F	92	Very high	88.1	Confident	21 Å²	21	40.9 Å²	40.9	9%	0.092	24%	0.236	C	C	.	.	H	α-helix	trans	-73.3	-51.3	172.2	177.2	-92.1	0	0	0	110.3	L618 Y621 V622 L638 F676 A705 N706 L707 V711 A712 V713	L618-F709 HydrophobicContact CD1-CB 4.44Å; L618-F709 HydrophobicContact CD1-CD2 3.98Å; L618-F709 HydrophobicContact CD1-CG 4.44Å; L618-F709 HydrophobicContact CD2-CD2 4.48Å; L618-F709 HydrophobicContact CD2-CG 4.37Å; Y621-F709 VanDerWaalsContact CB-CZ 3.45Å; Y621-F709 HydrophobicContact CD1-CE1 4.42Å; Y621-F709 HydrophobicContact CD1-CZ 4.49Å; Y621-F709 HydrophobicContact CD2-CE1 4.47Å; Y621-F709 HydrophobicContact CG-CE1 4.08Å; Y621-F709 AromaticContact CG-CZ 3.96Å; Y621-F709 HydrophobicContact CG-CZ 3.96Å; V622-F709 HydrophobicContact CG2-CD2 4.22Å; V622-F709 HydrophobicContact CG2-CE2 3.59Å; L638-F709 HydrophobicContact CD1-CD2 4.33Å; L638-F709 HydrophobicContact CD1-CE2 3.71Å; L638-F709 HydrophobicContact CD1-CZ 3.94Å; L638-F709 HydrophobicContact CD2-CD2 4.49Å; L638-F709 HydrophobicContact CD2-CE2 3.86Å; L638-F709 HydrophobicContact CG-CE2 4.28Å; F676-F709 HydrophobicContact CD2-CD2 4.28Å; F676-F709 HydrophobicContact CE2-CD2 4.27Å; A705-F709 PolarHBondContact O-N 3.34Å; N706-F709 CarbonylContact O-C 3.39Å; N706-F709 WeakPolarHBondContact O-CA 3.13Å; N706-F709 WeakPolarHBondContact O-CB 3.39Å; N706-F709 PolarHBondContact O-N 3.27Å; L707-F709 VanDerWaalsContact C-N 3.33Å; F709-V711 VanDerWaalsContact C-N 3.28Å; F709-V711 PolarHBondContact O-N 3.19Å; F709-A712 CarbonylContact O-C 3.44Å; F709-A712 WeakPolarHBondContact O-CA 3.48Å; F709-A712 VanDerWaalsContact O-CB 3.32Å; F709-A712 WeakPolarHBondContact O-CB 3.17Å; F709-A712 PolarHBondContact O-N 2.98Å; F709-V713 HydrophobicContact CD1-CG2 4.12Å; F709-V713 HydrophobicContact CE1-CG2 3.64Å; F709-V713 HydrophobicContact CZ-CG2 3.86Å; F709-V713 WeakPolarHBondContact O-CG2 3.25Å; F709-V713 PolarHBondContact O-N 2.86Å
710	D	90.7	Very high	88.4	Confident	7 Å²	7	37.7 Å²	37.7	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-53.7	-45.2	175.7	-51.3	-42.1	0	0	0	111.8	N706 L707 A712 V713 L714 F726 R729	N706-D710 PolarHBondContact O-N 2.67Å; N706-D710 VanDerWaalsContact O-OD2 3.09Å; L707-D710 WeakPolarHBondContact CA-OD2 3.27Å; D710-A712 VanDerWaalsContact C-N 3.27Å; D710-A712 PolarHBondContact O-N 2.7Å; D710-V713 WeakPolarHBondContact O-CB 3.48Å; D710-V713 PolarHBondContact O-N 2.78Å; D710-L714 PolarHBondContact O-N 2.64Å; D710-F726 HydrophobicContact CB-CD2 3.37Å; D710-F726 HydrophobicContact CB-CE2 3.66Å; D710-F726 HydrophobicContact CB-CG 4.25Å; D710-F726 WeakPolarHBondContact OD2-CD2 3.4Å; D710-R729 IonicContact OD1-CZ 3.81Å; D710-R729 IonicContact OD1-NE 3.29Å; D710-R729 IonicContact OD1-NH2 3.51Å; D710-R729 PolarHBondContact OD1-NH2 3.31Å; D710-R729 IonicContact OD2-CZ 3.12Å; D710-R729 IonicContact OD2-NE 2.82Å; D710-R729 PolarHBondContact OD2-NE 2.99Å; D710-R729 IonicContact OD2-NH2 3.17Å; D710-R729 PolarHBondContact OD2-NH2 3.23Å
711	V	91.9	Very high	88.5	Confident	64 Å²	64	43.3 Å²	43.3	39%	0.388	23%	0.232	S	C	.	.	H	α-helix	trans	-70.6	-23	177.3	171.6	0	0	0	0	112	L707 F709 R715 F726	L707-V711 WeakPolarHBondContact O-CB 3.42Å; L707-V711 VanDerWaalsContact O-CG2 3.22Å; L707-V711 WeakPolarHBondContact O-CG2 3.1Å; L707-V711 PolarHBondContact O-N 2.93Å; L707-V711 VanDerWaalsContact O-N 3.12Å; F709-V711 VanDerWaalsContact C-N 3.28Å; F709-V711 PolarHBondContact O-N 3.19Å; V711-R715 HydrophobicContact CG1-CG 4.37Å; V711-R715 WeakPolarHBondContact O-CB 2.98Å; V711-R715 WeakPolarHBondContact O-CG 3.47Å; V711-R715 PolarHBondContact O-N 3.1Å; V711-F726 HydrophobicContact CG2-CE2 4.34Å
712	A	92.3	Very high	88.6	Confident	2 Å²	2	47.4 Å²	47.4	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-77	-40	171.7	0	0	0	0	0	112	L638 F676 L708 F709 D710 R715 S716	L638-A712 HydrophobicContact CG-CB 4.41Å; F676-A712 HydrophobicContact CE2-CB 3.97Å; L708-A712 VanDerWaalsContact O-CB 3.31Å; L708-A712 WeakPolarHBondContact O-CB 3.41Å; L708-A712 PolarHBondContact O-N 3.33Å; L708-A712 VanDerWaalsContact O-N 3.15Å; F709-A712 CarbonylContact O-C 3.44Å; F709-A712 WeakPolarHBondContact O-CA 3.48Å; F709-A712 VanDerWaalsContact O-CB 3.32Å; F709-A712 WeakPolarHBondContact O-CB 3.17Å; F709-A712 PolarHBondContact O-N 2.98Å; D710-A712 VanDerWaalsContact C-N 3.27Å; D710-A712 PolarHBondContact O-N 2.7Å; A712-R715 PolarHBondContact O-N 3.44Å; A712-S716 VanDerWaalsContact O-CB 3.25Å; A712-S716 WeakPolarHBondContact O-CB 3.46Å; A712-S716 PolarHBondContact O-N 2.81Å; A712-S716 PolarHBondContact O-OG 3.23Å
713	V	91.7	Very high	88.8	Confident	12 Å²	12	48.9 Å²	48.9	7%	0.073	26%	0.262	C	S	.	.	H	α-helix	trans	-52.5	-62.6	172.6	173.7	0	0	0	0	109.8	L638 F709 D710 R715 S716 G717 F718 S719 V720	L638-V713 HydrophobicContact CD1-CB 4.26Å; L638-V713 HydrophobicContact CD1-CG2 3.42Å; L638-V713 VanDerWaalsContact CD1-CG2 3.42Å; F709-V713 HydrophobicContact CD1-CG2 4.12Å; F709-V713 HydrophobicContact CE1-CG2 3.64Å; F709-V713 HydrophobicContact CZ-CG2 3.86Å; F709-V713 WeakPolarHBondContact O-CG2 3.25Å; F709-V713 PolarHBondContact O-N 2.86Å; D710-V713 WeakPolarHBondContact O-CB 3.48Å; D710-V713 PolarHBondContact O-N 2.78Å; V713-R715 PolarHBondContact O-N 2.7Å; V713-R715 VanDerWaalsContact O-N 3.09Å; V713-S716 PolarHBondContact O-N 2.76Å; V713-G717 PolarHBondContact O-N 3.04Å; V713-F718 HydrophobicContact CG1-CB 3.82Å; V713-F718 WeakPolarHBondContact CG1-O 3.22Å; V713-F718 PolarHBondContact O-N 3.39Å; V713-S719 WeakPolarHBondContact CG1-O 3.05Å; V713-V720 HydrophobicContact CB-CG2 4.35Å; V713-V720 HydrophobicContact CG1-CG2 3.68Å
714	L	91	Very high	89.2	Confident	92 Å²	92	51.7 Å²	51.7	48%	0.482	28%	0.282	S	S	.	.	H	α-helix	trans	-58.9	-25.8	179.7	-70.5	170.4	0	0	0	114.5	D710 V720 F726	D710-L714 PolarHBondContact O-N 2.64Å; L714-V720 HydrophobicContact CD1-CG2 4.28Å; L714-V720 HydrophobicContact CD2-CG2 3.53Å; L714-V720 HydrophobicContact CG-CG2 3.58Å; L714-F726 HydrophobicContact CD1-CD1 4.34Å; L714-F726 HydrophobicContact CD1-CE1 3.67Å; L714-F726 HydrophobicContact CD1-CZ 3.81Å
715	R	90.4	Very high	89.3	Confident	94 Å²	94	50.6 Å²	50.6	36%	0.355	28%	0.278	S	S	.	.	H	α-helix	trans	-95.3	-9.8	-179.2	-70.2	-70.1	-62.6	141	6.2	113.9	S543 P545 V711 A712 V713	S543-R715 PolarHBondContact O-NH2 3.27Å; S543-R715 PolarHBondContact OG-NH1 3.3Å; S543-R715 VanDerWaalsContact OG-NH1 3.13Å; P545-R715 WeakPolarHBondContact CD-O 3.3Å; P545-R715 WeakPolarHBondContact CG-O 3.27Å; V711-R715 HydrophobicContact CG1-CG 4.37Å; V711-R715 WeakPolarHBondContact O-CB 2.98Å; V711-R715 WeakPolarHBondContact O-CG 3.47Å; V711-R715 PolarHBondContact O-N 3.1Å; A712-R715 PolarHBondContact O-N 3.44Å; V713-R715 PolarHBondContact O-N 2.7Å; V713-R715 VanDerWaalsContact O-N 3.09Å
716	S	89.4	Confident	89.5	Confident	13 Å²	13	52.7 Å²	52.7	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-97.3	-14.7	174	-77.1	0	0	0	0	113.1	L638 A712 V713	L638-S716 PolarHBondContact N-OG 2.63Å; L638-S716 WeakPolarHBondContact O-CB 3.35Å; L638-S716 PolarHBondContact O-OG 3.13Å; A712-S716 VanDerWaalsContact O-CB 3.25Å; A712-S716 WeakPolarHBondContact O-CB 3.46Å; A712-S716 PolarHBondContact O-N 2.81Å; A712-S716 PolarHBondContact O-OG 3.23Å; V713-S716 PolarHBondContact O-N 2.76Å
717	G	87.1	Confident	89.6	Confident	16 Å²	16	52.5 Å²	52.5	17%	0.165	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.5	1.4	177.5	0	0	0	0	0	114.9	G647 V713	G647-G717 CarbonylContact C-O 3.48Å; V713-G717 PolarHBondContact O-N 3.04Å
718	F	89.7	Confident	89.6	Confident	15 Å²	15	57.1 Å²	57.1	7%	0.066	31%	0.313	C	S	.	.			trans	-81.1	153.6	179.4	-63.7	-71.4	0	0	0	112	L638 A640 G647 E650 K674 V713	L638-F718 HydrophobicContact CB-CD2 4.01Å; L638-F718 HydrophobicContact CB-CE2 3.79Å; A640-F718 HydrophobicContact CB-CZ 4.39Å; G647-F718 VanDerWaalsContact CA-CE1 3.48Å; E650-F718 WeakPolarHBondContact OE1-CD1 3.04Å; E650-F718 VanDerWaalsContact OE2-CD1 3.24Å; E650-F718 WeakPolarHBondContact OE2-CD1 3.44Å; K674-F718 HydrophobicContact CG-CE1 4.08Å; K674-F718 HydrophobicContact CG-CE2 4.31Å; K674-F718 HydrophobicContact CG-CZ 3.87Å; V713-F718 HydrophobicContact CG1-CB 3.82Å; V713-F718 WeakPolarHBondContact CG1-O 3.22Å; V713-F718 PolarHBondContact O-N 3.39Å
719	S	86.6	Confident	89.4	Confident	80 Å²	80	58.9 Å²	58.9	56%	0.559	32%	0.318	S	S	*	.			trans	-74	153.5	173.3	-71.9	0	0	0	0	112	E650 V713	E650-S719 PolarHBondContact OE1-N 3.15Å; V713-S719 WeakPolarHBondContact CG1-O 3.05Å
720	V	87	Confident	89.3	Confident	31 Å²	31	60.6 Å²	60.6	19%	0.188	33%	0.33	C	S	.	.			trans	-102.6	100.9	179	178.2	0	0	0	0	109	V713 L714 N722 F726	V713-V720 HydrophobicContact CB-CG2 4.35Å; V713-V720 HydrophobicContact CG1-CG2 3.68Å; L714-V720 HydrophobicContact CD1-CG2 4.28Å; L714-V720 HydrophobicContact CD2-CG2 3.53Å; L714-V720 HydrophobicContact CG-CG2 3.58Å; V720-N722 PolarHBondContact O-N 2.89Å; V720-F726 HydrophobicContact CG1-CB 4.3Å
721	K	83.6	Confident	89.2	Confident	204 Å²	204	65.3 Å²	65.3	89%	0.887	35%	0.352	S	S	*	.	S	Bend	trans	-44.4	-40.1	-176.7	-79.9	-141.5	170.9	-145	0	114.1
722	N	87	Confident	88.8	Confident	88 Å²	88	63.4 Å²	63.4	47%	0.471	34%	0.342	S	S	.	.			trans	-126.4	96.7	173.4	-166.3	-50.4	0	0	0	112.2	V720 V724 A725 F726	V720-N722 PolarHBondContact O-N 2.89Å; N722-V724 PolarHBondContact OD1-N 3.13Å; N722-A725 HydrophobicContact CB-CB 4.2Å; N722-A725 VanDerWaalsContact OD1-CB 3.32Å; N722-A725 WeakPolarHBondContact OD1-CB 3.41Å; N722-A725 PolarHBondContact OD1-N 3.25Å; N722-F726 PolarHBondContact O-N 2.83Å
723	P	89.7	Confident	88.5	Confident	84 Å²	84	65.5 Å²	65.5	55%	0.545	35%	0.354	S	S	.	.	H	α-helix	trans	-72.3	-27.8	-178.3	28.5	-34	0	0	0	112.8	F726 A727	P723-F726 PolarHBondContact O-N 2.9Å; P723-A727 PolarHBondContact O-N 3.08Å
724	V	92.2	Very high	88.4	Confident	100 Å²	100	68.5 Å²	68.5	61%	0.606	37%	0.372	S	S	*	.	H	α-helix	trans	-67	-48.7	178.5	-177.8	0	0	0	0	110.3	N722 F726 A727 E728	N722-V724 PolarHBondContact OD1-N 3.13Å; V724-F726 VanDerWaalsContact C-N 3.26Å; V724-F726 PolarHBondContact O-N 3.41Å; V724-A727 CarbonylContact O-C 3.51Å; V724-A727 WeakPolarHBondContact O-CA 3.17Å; V724-A727 WeakPolarHBondContact O-CB 3.49Å; V724-A727 PolarHBondContact O-N 2.99Å; V724-E728 PolarHBondContact O-N 2.81Å
725	A	87.8	Confident	88.1	Confident	24 Å²	24	68 Å²	68	20%	0.198	37%	0.366	C	S	.	.	H	α-helix	trans	-64.6	-30.3	178.1	0	0	0	0	0	112.2	N722 R729	N722-A725 HydrophobicContact CB-CB 4.2Å; N722-A725 VanDerWaalsContact OD1-CB 3.32Å; N722-A725 WeakPolarHBondContact OD1-CB 3.41Å; N722-A725 PolarHBondContact OD1-N 3.25Å; A725-R729 VanDerWaalsContact C-NH1 3.29Å; A725-R729 VanDerWaalsContact CB-NH1 3.34Å; A725-R729 VanDerWaalsContact O-CG 3.29Å; A725-R729 WeakPolarHBondContact O-CG 3.49Å; A725-R729 PolarHBondContact O-N 2.91Å; A725-R729 VanDerWaalsContact O-N 3.07Å; A725-R729 PolarHBondContact O-NH1 3.45Å
726	F	90.1	Very high	87.8	Confident	44 Å²	44	67.3 Å²	67.3	19%	0.193	37%	0.366	C	S	.	.	H	α-helix	trans	-67	-45.8	168.1	170.6	-118.1	0	0	0	111.8	L707 D710 V711 L714 V720 N722 P723 V724 E728 R729 V730	L707-F726 HydrophobicContact CD1-CE2 4.18Å; D710-F726 HydrophobicContact CB-CD2 3.37Å; D710-F726 HydrophobicContact CB-CE2 3.66Å; D710-F726 HydrophobicContact CB-CG 4.25Å; D710-F726 WeakPolarHBondContact OD2-CD2 3.4Å; V711-F726 HydrophobicContact CG2-CE2 4.34Å; L714-F726 HydrophobicContact CD1-CD1 4.34Å; L714-F726 HydrophobicContact CD1-CE1 3.67Å; L714-F726 HydrophobicContact CD1-CZ 3.81Å; V720-F726 HydrophobicContact CG1-CB 4.3Å; N722-F726 PolarHBondContact O-N 2.83Å; P723-F726 PolarHBondContact O-N 2.9Å; V724-F726 VanDerWaalsContact C-N 3.26Å; V724-F726 PolarHBondContact O-N 3.41Å; F726-E728 VanDerWaalsContact C-N 3.33Å; F726-E728 PolarHBondContact O-N 2.92Å; F726-R729 WeakPolarHBondContact O-CB 3.43Å; F726-R729 PolarHBondContact O-N 3.19Å; F726-R729 VanDerWaalsContact O-N 3.12Å; F726-V730 HydrophobicContact CD2-CG2 4.13Å; F726-V730 HydrophobicContact CE1-CG2 4.28Å; F726-V730 HydrophobicContact CE2-CG2 3.65Å; F726-V730 HydrophobicContact CZ-CG2 3.74Å; F726-V730 WeakPolarHBondContact O-CG2 3.46Å; F726-V730 PolarHBondContact O-N 3.32Å
727	A	91	Very high	87.7	Confident	51 Å²	51	71.1 Å²	71.1	42%	0.421	39%	0.392	S	S	.	.	H	α-helix	trans	-58.8	-43.1	175.5	0	0	0	0	0	111.6	P723 V724 R729 V730 E731	P723-A727 PolarHBondContact O-N 3.08Å; V724-A727 CarbonylContact O-C 3.51Å; V724-A727 WeakPolarHBondContact O-CA 3.17Å; V724-A727 WeakPolarHBondContact O-CB 3.49Å; V724-A727 PolarHBondContact O-N 2.99Å; A727-R729 PolarHBondContact O-N 3.48Å; A727-V730 CarbonylContact O-C 3.43Å; A727-V730 PolarHBondContact O-N 3.24Å; A727-E731 PolarHBondContact O-N 3.05Å
728	E	89.7	Confident	87.8	Confident	134 Å²	134	75.8 Å²	75.8	63%	0.626	41%	0.413	S	S	*	.	H	α-helix	trans	-60.4	-41.2	172.7	-70.6	-158.3	136.1	0	0	112.9	V724 F726 V730 E731 S732	V724-E728 PolarHBondContact O-N 2.81Å; F726-E728 VanDerWaalsContact C-N 3.33Å; F726-E728 PolarHBondContact O-N 2.92Å; E728-V730 VanDerWaalsContact C-N 3.34Å; E728-E731 PolarHBondContact O-N 3.1Å; E728-S732 VanDerWaalsContact O-CB 3.26Å; E728-S732 WeakPolarHBondContact O-CB 3.33Å; E728-S732 PolarHBondContact O-N 3.44Å
729	R	87.4	Confident	87.5	Confident	60 Å²	60	82.7 Å²	82.7	23%	0.226	45%	0.451	C	S	.	.	H	α-helix	trans	-62.7	-42.2	175.5	-75.8	-174.7	-67.4	-89	21.1	110.9	L707 D710 A725 F726 A727 S732 V733	L707-R729 HydrophobicContact CD1-CB 4.48Å; D710-R729 IonicContact OD1-CZ 3.81Å; D710-R729 IonicContact OD1-NE 3.29Å; D710-R729 IonicContact OD1-NH2 3.51Å; D710-R729 PolarHBondContact OD1-NH2 3.31Å; D710-R729 IonicContact OD2-CZ 3.12Å; D710-R729 IonicContact OD2-NE 2.82Å; D710-R729 PolarHBondContact OD2-NE 2.99Å; D710-R729 IonicContact OD2-NH2 3.17Å; D710-R729 PolarHBondContact OD2-NH2 3.23Å; A725-R729 VanDerWaalsContact C-NH1 3.29Å; A725-R729 VanDerWaalsContact CB-NH1 3.34Å; A725-R729 VanDerWaalsContact O-CG 3.29Å; A725-R729 WeakPolarHBondContact O-CG 3.49Å; A725-R729 PolarHBondContact O-N 2.91Å; A725-R729 VanDerWaalsContact O-N 3.07Å; A725-R729 PolarHBondContact O-NH1 3.45Å; F726-R729 WeakPolarHBondContact O-CB 3.43Å; F726-R729 PolarHBondContact O-N 3.19Å; F726-R729 VanDerWaalsContact O-N 3.12Å; A727-R729 PolarHBondContact O-N 3.48Å; R729-S732 WeakPolarHBondContact O-CB 3.15Å; R729-S732 PolarHBondContact O-N 3.07Å; R729-V733 WeakPolarHBondContact O-CG2 3.49Å; R729-V733 PolarHBondContact O-N 3.13Å; R729-V733 VanDerWaalsContact O-N 3.1Å
730	V	89.6	Confident	87.2	Confident	57 Å²	57	82.2 Å²	82.2	35%	0.345	44%	0.441	S	S	.	.	H	α-helix	trans	-64.3	-45.4	173.5	173.8	0	0	0	0	111.3	L707 F726 A727 E728 S732 V733 V734	L707-V730 HydrophobicContact CD1-CG2 4.14Å; F726-V730 HydrophobicContact CD2-CG2 4.13Å; F726-V730 HydrophobicContact CE1-CG2 4.28Å; F726-V730 HydrophobicContact CE2-CG2 3.65Å; F726-V730 HydrophobicContact CZ-CG2 3.74Å; F726-V730 WeakPolarHBondContact O-CG2 3.46Å; F726-V730 PolarHBondContact O-N 3.32Å; A727-V730 CarbonylContact O-C 3.43Å; A727-V730 PolarHBondContact O-N 3.24Å; E728-V730 VanDerWaalsContact C-N 3.34Å; V730-S732 VanDerWaalsContact C-N 3.32Å; V730-S732 PolarHBondContact O-N 3.48Å; V730-V733 WeakPolarHBondContact O-CB 3.21Å; V730-V733 PolarHBondContact O-N 3.07Å; V730-V733 VanDerWaalsContact O-N 3.15Å; V730-V734 HydrophobicContact CG1-CG2 4.46Å; V730-V734 WeakPolarHBondContact O-CG2 3.36Å; V730-V734 PolarHBondContact O-N 3.44Å
731	E	87.4	Confident	86.5	Confident	107 Å²	107	85.3 Å²	85.3	50%	0.5	46%	0.457	S	S	.	.	H	α-helix	trans	-59.2	-42.2	174.2	-78.7	-152.5	171	0	0	112	A727 E728 V733 V734 K735	A727-E731 PolarHBondContact O-N 3.05Å; E728-E731 PolarHBondContact O-N 3.1Å; E731-V733 VanDerWaalsContact C-N 3.27Å; E731-V733 PolarHBondContact O-N 2.73Å; E731-V734 CarbonylContact O-C 3.31Å; E731-V734 PolarHBondContact O-N 2.77Å; E731-V734 VanDerWaalsContact O-N 3.1Å; E731-K735 WeakPolarHBondContact O-CB 3.38Å; E731-K735 VanDerWaalsContact O-CG 3.22Å; E731-K735 WeakPolarHBondContact O-CG 3.21Å; E731-K735 PolarHBondContact O-N 2.82Å; E731-K735 WeakPolarHBondContact OE2-CE 3.42Å; E731-K735 IonicContact OE2-NZ 3.17Å; E731-K735 PolarHBondContact OE2-NZ 3.34Å
732	S	84.4	Confident	85.8	Confident	23 Å²	23	81.6 Å²	81.6	16%	0.161	44%	0.443	C	S	.	.	H	α-helix	trans	-59.9	-39.4	177	-162.2	0	0	0	0	110.9	E728 R729 V730 K736 Q742	E728-S732 VanDerWaalsContact O-CB 3.26Å; E728-S732 WeakPolarHBondContact O-CB 3.33Å; E728-S732 PolarHBondContact O-N 3.44Å; R729-S732 WeakPolarHBondContact O-CB 3.15Å; R729-S732 PolarHBondContact O-N 3.07Å; V730-S732 VanDerWaalsContact C-N 3.32Å; V730-S732 PolarHBondContact O-N 3.48Å; S732-K736 WeakPolarHBondContact O-CB 3.01Å; S732-K736 WeakPolarHBondContact O-CD 3.19Å; S732-K736 WeakPolarHBondContact O-CE 3.23Å; S732-K736 WeakPolarHBondContact O-CG 3.47Å; S732-K736 PolarHBondContact O-N 3.17Å; S732-K736 VanDerWaalsContact O-N 3.1Å; S732-K736 VanDerWaalsContact OG-CE 3.31Å; S732-K736 WeakPolarHBondContact OG-CE 3.29Å; S732-K736 PolarHBondContact OG-NZ 2.71Å; S732-Q742 PolarHBondContact OG-NE2 3.42Å
733	V	86.3	Confident	84.8	Confident	47 Å²	47	83.6 Å²	83.6	29%	0.285	45%	0.453	S	S	.	.	H	α-helix	trans	-69	-39.4	172.2	173.2	0	0	0	0	112.1	L707 R729 V730 E731 S737	L707-V733 HydrophobicContact CD2-CG2 3.89Å; R729-V733 WeakPolarHBondContact O-CG2 3.49Å; R729-V733 PolarHBondContact O-N 3.13Å; R729-V733 VanDerWaalsContact O-N 3.1Å; V730-V733 WeakPolarHBondContact O-CB 3.21Å; V730-V733 PolarHBondContact O-N 3.07Å; V730-V733 VanDerWaalsContact O-N 3.15Å; E731-V733 VanDerWaalsContact C-N 3.27Å; E731-V733 PolarHBondContact O-N 2.73Å; V733-S737 VanDerWaalsContact O-CB 3.23Å; V733-S737 WeakPolarHBondContact O-CB 3.1Å; V733-S737 PolarHBondContact O-N 2.77Å; V733-S737 PolarHBondContact O-OG 2.81Å
734	V	88.1	Confident	83.7	Confident	74 Å²	74	86 Å²	86	45%	0.448	46%	0.457	S	S	.	.	H	α-helix	trans	-66.7	-46.7	177.2	170.6	0	0	0	0	111.2	V730 E731 K736 S737 L738	V730-V734 HydrophobicContact CG1-CG2 4.46Å; V730-V734 WeakPolarHBondContact O-CG2 3.36Å; V730-V734 PolarHBondContact O-N 3.44Å; E731-V734 CarbonylContact O-C 3.31Å; E731-V734 PolarHBondContact O-N 2.77Å; E731-V734 VanDerWaalsContact O-N 3.1Å; V734-K736 PolarHBondContact O-N 2.71Å; V734-S737 CarbonylContact O-C 3.25Å; V734-S737 PolarHBondContact O-N 3.47Å; V734-S737 VanDerWaalsContact O-N 3.08Å; V734-L738 HydrophobicContact CG1-CD1 3.79Å; V734-L738 HydrophobicContact CG1-CG 4.45Å; V734-L738 WeakPolarHBondContact O-CB 3.31Å; V734-L738 WeakPolarHBondContact O-CG 3.04Å; V734-L738 PolarHBondContact O-N 2.77Å
735	K	86.6	Confident	82.5	Confident	81 Å²	81	88.6 Å²	88.6	35%	0.352	47%	0.467	S	S	.	.	H	α-helix	trans	-54.7	-51.4	174.3	-70.3	162.9	-172.5	169	0	110.1	E731 S737 L738 D739 I740	E731-K735 WeakPolarHBondContact O-CB 3.38Å; E731-K735 VanDerWaalsContact O-CG 3.22Å; E731-K735 WeakPolarHBondContact O-CG 3.21Å; E731-K735 PolarHBondContact O-N 2.82Å; E731-K735 WeakPolarHBondContact OE2-CE 3.42Å; E731-K735 IonicContact OE2-NZ 3.17Å; E731-K735 PolarHBondContact OE2-NZ 3.34Å; K735-S737 VanDerWaalsContact C-N 3.35Å; K735-S737 PolarHBondContact O-N 3Å; K735-L738 PolarHBondContact O-N 3.36Å; K735-D739 PolarHBondContact O-N 2.88Å; K735-I740 HydrophobicContact CB-CB 4.31Å; K735-I740 PolarHBondContact O-N 3.33Å
736	K	83.4	Confident	81.6	Confident	81 Å²	81	95.3 Å²	95.3	35%	0.352	50%	0.498	S	S	.	.	H	α-helix	trans	-59.7	-38.4	173.6	-69.5	162.4	-158.3	167.4	0	113.3	H703 S732 V734 L738 D739	H703-K736 PolarHBondContact CD2-NZ 3.24Å; H703-K736 PolarHBondContact NE2-NZ 2.92Å; S732-K736 WeakPolarHBondContact O-CB 3.01Å; S732-K736 WeakPolarHBondContact O-CD 3.19Å; S732-K736 WeakPolarHBondContact O-CE 3.23Å; S732-K736 WeakPolarHBondContact O-CG 3.47Å; S732-K736 PolarHBondContact O-N 3.17Å; S732-K736 VanDerWaalsContact O-N 3.1Å; S732-K736 VanDerWaalsContact OG-CE 3.31Å; S732-K736 WeakPolarHBondContact OG-CE 3.29Å; S732-K736 PolarHBondContact OG-NZ 2.71Å; V734-K736 PolarHBondContact O-N 2.71Å; K736-L738 VanDerWaalsContact C-N 3.27Å; K736-L738 PolarHBondContact O-N 3.26Å; K736-D739 PolarHBondContact O-N 3Å
737	S	87.3	Confident	80.6	Confident	92 Å²	92	101.2 Å²	101.2	64%	0.643	53%	0.532	S	S	*	.	H	α-helix	trans	-74.6	-15.5	-179.6	-60.9	0	0	0	0	113.9	V733 V734 K735	V733-S737 VanDerWaalsContact O-CB 3.23Å; V733-S737 WeakPolarHBondContact O-CB 3.1Å; V733-S737 PolarHBondContact O-N 2.77Å; V733-S737 PolarHBondContact O-OG 2.81Å; V734-S737 CarbonylContact O-C 3.25Å; V734-S737 PolarHBondContact O-N 3.47Å; V734-S737 VanDerWaalsContact O-N 3.08Å; K735-S737 VanDerWaalsContact C-N 3.35Å; K735-S737 PolarHBondContact O-N 3Å
738	L	89.4	Confident	79	Confident	114 Å²	114	107.6 Å²	107.6	60%	0.597	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	6.6	176.7	-66.3	174.3	0	0	0	112.9	V734 K735 K736 I740	V734-L738 HydrophobicContact CG1-CD1 3.79Å; V734-L738 HydrophobicContact CG1-CG 4.45Å; V734-L738 WeakPolarHBondContact O-CB 3.31Å; V734-L738 WeakPolarHBondContact O-CG 3.04Å; V734-L738 PolarHBondContact O-N 2.77Å; K735-L738 PolarHBondContact O-N 3.36Å; K736-L738 VanDerWaalsContact C-N 3.27Å; K736-L738 PolarHBondContact O-N 3.26Å; L738-I740 HydrophobicContact CB-CD1 3.77Å; L738-I740 HydrophobicContact CB-CG1 3.84Å; L738-I740 HydrophobicContact CD1-CD1 3.95Å; L738-I740 PolarHBondContact O-N 3.4Å
739	D	83.4	Confident	77.8	Confident	161 Å²	161	109.8 Å²	109.8	86%	0.861	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.1	27	-172.2	-67.6	-47.7	0	0	0	113.9	K735 K736	K735-D739 PolarHBondContact O-N 2.88Å; K736-D739 PolarHBondContact O-N 3Å
740	I	80	Confident	76	Confident	70 Å²	70	112.2 Å²	112.2	36%	0.359	59%	0.587	S	S	.	*			trans	-80.4	135.3	174.5	-59.1	171.5	0	0	0	108.6	K735 L738 E744	K735-I740 HydrophobicContact CB-CB 4.31Å; K735-I740 PolarHBondContact O-N 3.33Å; L738-I740 HydrophobicContact CB-CD1 3.77Å; L738-I740 HydrophobicContact CB-CG1 3.84Å; L738-I740 HydrophobicContact CD1-CD1 3.95Å; L738-I740 PolarHBondContact O-N 3.4Å; I740-E744 HydrophobicContact CG2-CB 4.16Å
741	D	72.9	Confident	73.9	Confident	95 Å²	95	118.2 Å²	118.2	51%	0.508	61%	0.611	S	S	.	*			trans	-69.7	137	177.3	-166.5	-27.5	0	0	0	109.6	N743 E744	D741-N743 PolarHBondContact O-N 2.72Å; D741-N743 VanDerWaalsContact O-N 3.1Å; D741-N743 PolarHBondContact OD1-N 3.25Å; D741-N743 PolarHBondContact OD1-ND2 3.07Å; D741-E744 HydrophobicContact CB-CB 4.11Å; D741-E744 PolarHBondContact N-OE2 3.04Å; D741-E744 VanDerWaalsContact O-CB 3.28Å; D741-E744 WeakPolarHBondContact O-CB 3.4Å; D741-E744 PolarHBondContact O-N 2.81Å
742	Q	67.8	Low	71.6	Confident	127 Å²	127	119.5 Å²	119.5	59%	0.593	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-17.2	174.3	-63	-174.6	-95.2	0	0	112.3	S732	S732-Q742 PolarHBondContact OG-NE2 3.42Å
743	N	67.4	Low	69.6	Low	129 Å²	129	124.1 Å²	124.1	69%	0.69	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	12.9	177.1	-46.4	-95.8	0	0	0	112.3	D741 L745	D741-N743 PolarHBondContact O-N 2.72Å; D741-N743 VanDerWaalsContact O-N 3.1Å; D741-N743 PolarHBondContact OD1-N 3.25Å; D741-N743 PolarHBondContact OD1-ND2 3.07Å; N743-L745 VanDerWaalsContact C-N 3.31Å; N743-L745 PolarHBondContact O-N 3.38Å
744	E	66.6	Low	67.2	Low	134 Å²	134	131.5 Å²	131.5	63%	0.626	68%	0.681	S	S	*	*			trans	-74.1	88	175.5	-160.7	147.5	-159.3	0	0	108.8	I740 D741	I740-E744 HydrophobicContact CG2-CB 4.16Å; D741-E744 HydrophobicContact CB-CB 4.11Å; D741-E744 PolarHBondContact N-OE2 3.04Å; D741-E744 VanDerWaalsContact O-CB 3.28Å; D741-E744 WeakPolarHBondContact O-CB 3.4Å; D741-E744 PolarHBondContact O-N 2.81Å
745	L	65.2	Low	64.7	Low	155 Å²	155	130.7 Å²	130.7	81%	0.812	68%	0.678	S	S	*	*			trans	-50.6	141.8	177	-64.5	171.4	0	0	0	110.6	N743 D747	N743-L745 VanDerWaalsContact C-N 3.31Å; N743-L745 PolarHBondContact O-N 3.38Å; L745-D747 PolarHBondContact O-N 2.84Å
746	L	70.1	Confident	62.3	Low	165 Å²	165	134.1 Å²	134.1	86%	0.864	70%	0.696	S	S	*	*			trans	-55.4	131.4	165.4	-63.8	169.9	0	0	0	108.6	E748	L746-E748 PolarHBondContact O-N 2.94Å; L746-E748 VanDerWaalsContact O-N 3.11Å
747	D	68.6	Low	59.8	Low	168 Å²	168	137.6 Å²	137.6	90%	0.898	71%	0.711	S	S	*	*			trans	-59	115.4	174.9	-88.4	-41	0	0	0	108.5	L745 E749	L745-D747 PolarHBondContact O-N 2.84Å; D747-E749 PolarHBondContact O-N 2.99Å
748	E	57.9	Low	57.3	Low	185 Å²	185	138 Å²	138	86%	0.864	71%	0.714	S	S	*	*			trans	-47.9	127.6	178.7	-66.2	170.8	165.1	0	0	110.7	L746	L746-E748 PolarHBondContact O-N 2.94Å; L746-E748 VanDerWaalsContact O-N 3.11Å
749	E	64.4	Low	54.8	Low	181 Å²	181	138.6 Å²	138.6	85%	0.846	72%	0.722	S	S	*	*			trans	-64.1	128.5	-176.7	-165.4	175.1	-161.7	0	0	109.9	D747 E751	D747-E749 PolarHBondContact O-N 2.99Å; E749-E751 PolarHBondContact O-N 3.32Å
750	P	48.6	Very low	52.4	Low	111 Å²	111	136.2 Å²	136.2	72%	0.721	71%	0.713	S	S	*	*			trans	-77.2	88.5	-166.7	29.2	-36.2	0	0	0	112.6
751	E	45.6	Very low	50.3	Low	182 Å²	182	139.4 Å²	139.4	85%	0.85	73%	0.731	S	S	*	*			trans	-46.9	135.8	170.6	-63.6	-175.6	151.2	0	0	111.9	E749	E749-E751 PolarHBondContact O-N 3.32Å
752	T	40.1	Very low	48.5	Very low	134 Å²	134	143.2 Å²	143.2	82%	0.822	75%	0.746	S	S	*	*			trans	-119	72.9	-174.2	39.4	0	0	0	0	113.2	E754	T752-E754 PolarHBondContact O-N 3Å; T752-E754 VanDerWaalsContact O-N 3.14Å
753	D	41.8	Very low	47.1	Very low	120 Å²	120	142.2 Å²	142.2	64%	0.642	75%	0.748	S	S	*	*			trans	-49.4	110.7	172.9	-88.4	-20.8	0	0	0	113.9	S755	D753-S755 PolarHBondContact O-N 2.65Å
754	E	35.3	Very low	45.6	Very low	203 Å²	203	142.7 Å²	142.7	95%	0.949	75%	0.75	S	S	*	*			trans	-86.5	72.9	166.6	-78.2	-146.6	142.6	0	0	112	T752	T752-E754 PolarHBondContact O-N 3Å; T752-E754 VanDerWaalsContact O-N 3.14Å
755	S	37.5	Very low	44	Very low	57 Å²	57	143.5 Å²	143.5	40%	0.399	75%	0.752	S	S	.	*			trans	-105.3	126.5	166.9	87	0	0	0	0	112.6	D753 K757 E926 E927	D753-S755 PolarHBondContact O-N 2.65Å; S755-K757 PolarHBondContact O-N 2.77Å; S755-E926 PolarHBondContact OG-O 3.01Å; S755-E927 WeakPolarHBondContact CB-O 3.38Å
756	E	35.1	Very low	42.5	Very low	153 Å²	153	143 Å²	143	72%	0.715	75%	0.745	S	S	*	*			trans	-86.8	112.9	-172.9	-79.2	-152.8	129.3	0	0	113.9
757	K	31.8	Very low	40.8	Very low	154 Å²	154	139.9 Å²	139.9	67%	0.67	74%	0.738	S	S	*	*			trans	68	123.1	148.3	-53.1	154.3	-167.5	153.9	0	115.1	S755	S755-K757 PolarHBondContact O-N 2.77Å
758	S	34.1	Very low	39.1	Very low	101 Å²	101	139.2 Å²	139.2	71%	0.706	73%	0.732	S	S	*	*			cis	175.4	131.4	44.5	27.5	0	0	0	0	116.7
759	V	35.8	Very low	37.8	Very low	126 Å²	126	134.9 Å²	134.9	76%	0.764	72%	0.722	S	S	*	*				75.2	106.9	127.8	179.3	0	0	0	0	118.5
760	T	34.7	Very low	36.2	Very low	110 Å²	110	132.1 Å²	132.1	68%	0.675	71%	0.713	S	S	*	*			trans	106.4	105.9	138.5	55.8	0	0	0	0	122.7
761	D	35.4	Very low	35.3	Very low	137 Å²	137	134.6 Å²	134.6	73%	0.733	72%	0.715	S	S	*	*				82.6	96.1	116.6	-59.3	3.5	0	0	0	121.6
762	E	35.9	Very low	34.6	Very low	176 Å²	176	132.8 Å²	132.8	82%	0.822	71%	0.711	S	S	*	*				86.7	132	114.1	-83.5	-156.7	166.9	0	0	123.6
763	V	37.4	Very low	34.3	Very low	106 Å²	106	131.3 Å²	131.3	64%	0.642	71%	0.707	S	S	*	*			trans	88.8	88.9	133.1	171.2	0	0	0	0	119.9
764	N	35	Very low	33.6	Very low	138 Å²	138	131.2 Å²	131.2	74%	0.738	71%	0.711	S	S	*	*				78.1	140.6	117.7	-85.3	-53.3	0	0	0	124.7
765	K	34.5	Very low	33.5	Very low	152 Å²	152	129.4 Å²	129.4	66%	0.661	70%	0.7	S	S	*	*			trans	91.4	112.9	135.6	-86.4	178.4	169.3	-73.5	0	122.3
766	E	32.6	Very low	33	Very low	144 Å²	144	133.4 Å²	133.4	67%	0.673	71%	0.712	S	S	*	*				74	108.4	123.7	-74.6	166.5	176.5	0	0	121.3
767	S	33.8	Very low	32.7	Very low	100 Å²	100	134.9 Å²	134.9	70%	0.699	72%	0.716	S	S	*	*				110.6	131.1	108.6	72.9	0	0	0	0	121.1
768	I	33.6	Very low	32.5	Very low	153 Å²	153	131.2 Å²	131.2	79%	0.785	71%	0.71	S	S	*	*			trans	84.6	105.6	134	-74.5	167.5	0	0	0	120.1
769	S	30.9	Very low	32.2	Very low	94 Å²	94	134.9 Å²	134.9	66%	0.657	72%	0.716	S	S	*	*				79.8	134.3	129.4	76.8	0	0	0	0	124.2
770	N	30.4	Very low	32	Very low	123 Å²	123	133.1 Å²	133.1	66%	0.658	71%	0.714	S	S	*	*			trans	95.2	121.3	132.4	-83.5	33.7	0	0	0	122.6
771	E	29.9	Very low	31.7	Very low	164 Å²	164	133.4 Å²	133.4	77%	0.766	72%	0.721	S	S	*	*				79	109.3	129.3	-69.8	164.6	165.9	0	0	121
772	D	30.7	Very low	31.4	Very low	143 Å²	143	131 Å²	131	77%	0.765	72%	0.715	S	S	*	*				74.3	106.9	120.1	-168.4	26.4	0	0	0	119.7
773	S	34.2	Very low	31.2	Very low	103 Å²	103	127.9 Å²	127.9	72%	0.72	70%	0.7	S	S	*	*				-178.7	114.9	117.7	30.9	0	0	0	0	114.8
774	T	28.1	Very low	30.9	Very low	119 Å²	119	129.6 Å²	129.6	73%	0.73	71%	0.705	S	S	*	*			trans	42.5	140.1	137	64	0	0	0	0	123.4
775	K	31.9	Very low	30.5	Very low	165 Å²	165	127.8 Å²	127.8	72%	0.717	70%	0.695	S	S	*	*			trans	73.8	143.8	149.2	-78.3	-170.4	174.2	-70	0	117.8
776	E	26.5	Very low	30.4	Very low	141 Å²	141	127.3 Å²	127.3	66%	0.659	70%	0.698	S	S	*	*			cis	-171	156	-17.4	-148.3	153.8	-122.8	0	0	109
777	K	29.5	Very low	30.2	Very low	183 Å²	183	127.8 Å²	127.8	80%	0.796	70%	0.7	S	S	*	*			trans	71.2	124.7	164.4	-87.2	-177.4	158	-73.9	0	120.7
778	S	27.3	Very low	29.9	Very low	78 Å²	78	126.3 Å²	126.3	55%	0.545	70%	0.7	S	S	.	*			trans	62.6	113.1	136	62.5	0	0	0	0	122.3
779	E	29.4	Very low	29.7	Very low	177 Å²	177	124.9 Å²	124.9	83%	0.827	70%	0.699	S	S	*	*				17.2	134.5	114	-56.4	77.5	-111.4	0	0	118.9
780	A	29.9	Very low	29.5	Very low	89 Å²	89	126.2 Å²	126.2	74%	0.736	70%	0.703	S	S	*	*				-174.6	143.1	119.5	0	0	0	0	0	110.4
781	S	29.3	Very low	29.3	Very low	117 Å²	117	127.5 Å²	127.5	82%	0.818	71%	0.705	S	S	*	*			trans	58.3	154.1	157.8	-47.1	0	0	0	0	120.9
782	S	29.4	Very low	29.1	Very low	86 Å²	86	126.6 Å²	126.6	60%	0.601	70%	0.699	S	S	*	*			cis	-173.8	168.3	-32.2	55.5	0	0	0	0	108.4
783	Q	30.3	Very low	28.9	Very low	110 Å²	110	128.2 Å²	128.2	51%	0.514	70%	0.695	S	S	.	*			trans	50.7	-178.2	154.9	-83.1	137.6	-38.3	0	0	120.6
784	I	31.7	Very low	28.4	Very low	143 Å²	143	129.7 Å²	129.7	73%	0.733	70%	0.695	S	S	*	*			trans	76.7	83	179.1	-44.2	-179.7	0	0	0	112.3
785	D	26.4	Very low	28.4	Very low	99 Å²	99	130.5 Å²	130.5	53%	0.529	70%	0.695	S	S	.	*			cis	88.5	174.6	38.9	-39.2	-26.4	0	0	0	113.4
786	I	32.2	Very low	28.2	Very low	142 Å²	142	129.9 Å²	129.9	73%	0.728	70%	0.695	S	S	*	*			trans	87.7	93.2	168.8	-48.3	177.6	0	0	0	117
787	H	28.9	Very low	28.3	Very low	155 Å²	155	128.7 Å²	128.7	72%	0.718	69%	0.693	S	S	*	*			trans	23.2	134.8	134.4	-60.7	-74.2	0	0	0	121.6
788	G	27	Very low	28.1	Very low	68 Å²	68	125.4 Å²	125.4	70%	0.701	68%	0.684	S	S	*	*				107.9	177.1	99.3	0	0	0	0	0	118.9
789	V	30.1	Very low	28.1	Very low	124 Å²	124	133 Å²	133	75%	0.752	70%	0.701	S	S	*	*			trans	67.5	89	-170.5	-169.8	0	0	0	0	111.4
790	T	25.9	Very low	28	Very low	122 Å²	122	128.4 Å²	128.4	75%	0.748	69%	0.685	S	S	*	*				57.5	168.2	68.7	81.5	0	0	0	0	114.6
791	E	26.2	Very low	27.9	Very low	150 Å²	150	130.3 Å²	130.3	70%	0.701	68%	0.682	S	S	*	*			trans	70	93.1	168.7	-65.6	-149.9	150	0	0	118.5
792	F	26	Very low	27.8	Very low	144 Å²	144	130.4 Å²	130.4	63%	0.632	67%	0.673	S	S	*	*				83.7	134.2	113.2	-79	-53.7	0	0	0	122.5
793	Y	26.2	Very low	27.9	Very low	178 Å²	178	133 Å²	133	70%	0.698	67%	0.674	S	S	*	*			trans	67.7	132.7	142.9	-70	-50.6	0	0	0	119.1	N795	Y793-N795 PolarHBondContact O-N 3.07Å
794	D	25	Very low	27.9	Very low	133 Å²	133	133 Å²	133	71%	0.711	68%	0.681	S	S	*	*				14.6	110.1	119.3	-53.3	-35.5	0	0	0	114.8
795	N	27.2	Very low	27.9	Very low	137 Å²	137	133.1 Å²	133.1	73%	0.733	68%	0.679	S	S	*	*				-162.6	141.9	95.9	-106.3	-87.5	0	0	0	113.1	Y793	Y793-N795 PolarHBondContact O-N 3.07Å
796	E	27.1	Very low	28.2	Very low	152 Å²	152	133.8 Å²	133.8	71%	0.71	69%	0.687	S	S	*	*			trans	-19.8	132.7	140.8	-47.6	173.8	172.5	0	0	114.9
797	N	28.8	Very low	28.3	Very low	116 Å²	116	132.2 Å²	132.2	62%	0.62	68%	0.68	S	S	*	*				175.6	108.3	94.4	-97.7	-81.9	0	0	0	113.8
798	N	26.3	Very low	28.4	Very low	113 Å²	113	132.2 Å²	132.2	60%	0.604	68%	0.68	S	S	*	*				39	103.4	109.1	167.4	33.9	0	0	0	117.5	T800	N798-T800 VanDerWaalsContact OD1-CG2 3.27Å; N798-T800 WeakPolarHBondContact OD1-CG2 3.34Å
799	W	25.8	Very low	28.7	Very low	239 Å²	239	138.5 Å²	138.5	91%	0.905	69%	0.688	S	S	*	*			trans	-135.3	73.7	146.9	-140.5	-57.5	0	0	0	116.4
800	T	27.8	Very low	29	Very low	79 Å²	79	138.3 Å²	138.3	49%	0.485	68%	0.683	S	S	.	*			trans	30.4	120.5	142.2	91.5	0	0	0	0	120.4	N798	N798-T800 VanDerWaalsContact OD1-CG2 3.27Å; N798-T800 WeakPolarHBondContact OD1-CG2 3.34Å
801	L	27.2	Very low	29.6	Very low	129 Å²	129	140.3 Å²	140.3	68%	0.675	68%	0.684	S	S	*	*				60.7	117.8	113	-172.5	108.9	0	0	0	119
802	N	28.5	Very low	30.2	Very low	119 Å²	119	140.8 Å²	140.8	64%	0.636	69%	0.691	S	S	*	*				-176.8	117.8	114.6	-95.4	-62.8	0	0	0	114.7
803	K	30.3	Very low	30.4	Very low	141 Å²	141	141.2 Å²	141.2	61%	0.613	70%	0.7	S	S	*	*				47.5	144.1	124.8	-56.2	-176.5	-175.2	63.4	0	118.8
804	T	30.3	Very low	30.8	Very low	110 Å²	110	141 Å²	141	68%	0.675	71%	0.705	S	S	*	*				-169.7	129.3	53.7	-40.8	0	0	0	0	113.2
805	E	32.7	Very low	31.1	Very low	146 Å²	146	141.7 Å²	141.7	68%	0.682	71%	0.707	S	S	*	*			trans	22.7	143.6	142.7	-45.5	164.3	-166.1	0	0	120.9
806	T	32.6	Very low	31.2	Very low	113 Å²	113	141.6 Å²	141.6	69%	0.693	71%	0.705	S	S	*	*				-179.1	117.3	93.3	32.8	0	0	0	0	117.6
807	N	33.8	Very low	31.1	Very low	108 Å²	108	142.9 Å²	142.9	58%	0.578	71%	0.711	S	S	*	*				80.2	104	127.7	-65.9	-32	0	0	0	125
808	Q	30.9	Very low	31.1	Very low	156 Å²	156	142.5 Å²	142.5	73%	0.729	72%	0.717	S	S	*	*				71.9	131.3	112	-67.2	165.6	5.7	0	0	121.5
809	F	33.7	Very low	31.3	Very low	199 Å²	199	141.8 Å²	141.8	87%	0.873	71%	0.709	S	S	*	*				-153.4	146.6	114.6	-111.4	-79	0	0	0	112.2
810	L	37.5	Very low	31.4	Very low	121 Å²	121	138.5 Å²	138.5	63%	0.634	70%	0.704	S	S	*	*			trans	-52.4	171.2	-167.5	-64.2	83.6	0	0	0	117.5
811	E	37.4	Very low	31.3	Very low	164 Å²	164	142 Å²	142	77%	0.766	72%	0.72	S	S	*	*			cis	-157.7	175.8	23.1	-148.3	148.4	-145.9	0	0	114.5
812	D	39.6	Very low	31.4	Very low	160 Å²	160	139 Å²	139	86%	0.856	70%	0.704	S	S	*	*			trans	66.8	121.3	177.3	-75	-13	0	0	0	119.8
813	N	30.2	Very low	31.4	Very low	152 Å²	152	141 Å²	141	81%	0.813	71%	0.714	S	S	*	*			trans	-168	127.9	-170.2	-171.9	-34.1	0	0	0	112
814	Q	33.4	Very low	31.2	Very low	173 Å²	173	137.1 Å²	137.1	81%	0.808	70%	0.702	S	S	*	*			trans	-170.2	137.3	164.6	-131.9	143.1	113.5	0	0	114.6
815	I	32.4	Very low	31.1	Very low	149 Å²	149	137.5 Å²	137.5	76%	0.764	71%	0.706	S	S	*	*			trans	69.8	99.6	173.2	-46.2	169.5	0	0	0	112.3
816	I	28.2	Very low	30.8	Very low	134 Å²	134	136.4 Å²	136.4	69%	0.687	71%	0.705	S	S	*	*			cis	86.5	123.3	41.5	-57.4	170.8	0	0	0	113.6
817	E	25.9	Very low	30.7	Very low	180 Å²	180	139.1 Å²	139.1	84%	0.841	71%	0.714	S	S	*	*			trans	71.2	84.9	166.4	-74.5	159.6	-133.5	0	0	118.1
818	S	28.9	Very low	30.4	Very low	107 Å²	107	141.3 Å²	141.3	75%	0.748	73%	0.725	S	S	*	*			trans	-179.9	164.9	147.4	28.3	0	0	0	0	110
819	F	29.5	Very low	30.2	Very low	98 Å²	98	141.2 Å²	141.2	43%	0.43	73%	0.728	S	S	.	*	S	Bend	trans	67	40.5	174.2	-69.6	-81.1	0	0	0	118.7	E1238 E1239	F819-E1238 HydrophobicContact CE1-CB 4.43Å; F819-E1238 HydrophobicContact CE1-CG 3.89Å; F819-E1238 HydrophobicContact CE2-CB 3.84Å; F819-E1238 HydrophobicContact CE2-CG 3.89Å; F819-E1238 WeakPolarHBondContact CE2-OE2 3.07Å; F819-E1238 HydrophobicContact CZ-CB 3.44Å; F819-E1238 VanDerWaalsContact CZ-CB 3.44Å; F819-E1238 HydrophobicContact CZ-CG 3.32Å; F819-E1239 VanDerWaalsContact CD1-OE1 3.31Å; F819-E1239 WeakPolarHBondContact CD1-OE1 3.34Å; F819-E1239 HydrophobicContact CE1-CB 4.2Å; F819-E1239 HydrophobicContact CE1-CG 3.57Å; F819-E1239 WeakPolarHBondContact CE1-OE1 3.47Å; F819-E1239 HydrophobicContact CZ-CB 3.82Å; F819-E1239 HydrophobicContact CZ-CG 3.73Å
820	E	27.8	Very low	29.8	Very low	171 Å²	171	137.8 Å²	137.8	80%	0.799	72%	0.723	S	S	*	*	S	Bend	trans	-135.9	141.1	152.8	-73.3	-178.1	160.6	0	0	108.5
821	N	27.3	Very low	29.4	Very low	153 Å²	153	137.3 Å²	137.3	82%	0.818	73%	0.73	S	S	*	*	S	Bend	trans	72.6	72.9	-174.7	-38.5	-88.4	0	0	0	115.3
822	N	27.9	Very low	28.9	Very low	65 Å²	65	137.3 Å²	137.3	35%	0.348	74%	0.736	S	S	.	*			trans	-157.4	37.2	162.9	-104.9	-19.8	0	0	0	112.5	E1239	N822-E1239 HydrophobicContact CB-CG 4.45Å; N822-E1239 WeakPolarHBondContact CB-OE1 3.31Å; N822-E1239 PolarHBondContact ND2-OE2 2.89Å
823	I	28.3	Very low	28.3	Very low	162 Å²	162	134.3 Å²	134.3	83%	0.831	73%	0.726	S	S	*	*			trans	-119.7	96.7	162.3	-58.6	177.4	0	0	0	105.8
824	T	27.9	Very low	28.2	Very low	59 Å²	59	133.1 Å²	133.1	36%	0.362	73%	0.726	S	S	.	*			trans	-70.2	132.4	166	27.6	0	0	0	0	109.1	D826	T824-D826 WeakPolarHBondContact CB-OD2 3.48Å; T824-D826 VanDerWaalsContact CG2-OD2 3.3Å; T824-D826 WeakPolarHBondContact CG2-OD2 3.41Å; T824-D826 PolarHBondContact O-N 3.15Å
825	P	27.5	Very low	28.2	Very low	117 Å²	117	130 Å²	130	76%	0.76	72%	0.719	S	S	*	*			trans	-81.6	41.7	175.2	36.8	-35.8	0	0	0	111.3
826	D	26.5	Very low	28.1	Very low	124 Å²	124	128.7 Å²	128.7	66%	0.663	72%	0.722	S	S	*	*			trans	-110.8	60.7	-169.6	-62	-58.3	0	0	0	110.4	T824	T824-D826 WeakPolarHBondContact CB-OD2 3.48Å; T824-D826 VanDerWaalsContact CG2-OD2 3.3Å; T824-D826 WeakPolarHBondContact CG2-OD2 3.41Å; T824-D826 PolarHBondContact O-N 3.15Å
827	L	29.4	Very low	28.1	Very low	170 Å²	170	133.8 Å²	133.8	89%	0.89	73%	0.733	S	S	*	*	S	Bend	trans	-146.4	32.8	169.4	-132.7	173.6	0	0	0	112
828	L	27.7	Very low	28.3	Very low	153 Å²	153	134.8 Å²	134.8	80%	0.801	73%	0.729	S	S	*	*	S	Bend	trans	-158.3	142.8	170.3	-96.2	151.2	0	0	0	105.1
829	I	26.4	Very low	28.4	Very low	154 Å²	154	135.4 Å²	135.4	79%	0.79	72%	0.723	S	S	*	*	S	Bend	trans	76.1	121.4	177.6	-52.5	174.1	0	0	0	116.6
830	T	26.6	Very low	28.4	Very low	127 Å²	127	135.8 Å²	135.8	78%	0.779	73%	0.729	S	S	*	*			trans	62.4	109.6	164.7	54.2	0	0	0	0	121.5
831	S	27.9	Very low	28.4	Very low	111 Å²	111	130.6 Å²	130.6	78%	0.776	72%	0.721	S	S	*	*				-178.1	115.6	104.6	36.4	0	0	0	0	114.7	C833	S831-C833 PolarHBondContact O-N 3.42Å
832	D	28	Very low	28.4	Very low	165 Å²	165	128.8 Å²	128.8	88%	0.882	72%	0.719	S	S	*	*			trans	38.8	69	143.4	-54	-5.9	0	0	0	119.7	P834	D832-P834 WeakPolarHBondContact O-CD 3.37Å
833	C	27.2	Very low	28.5	Very low	96 Å²	96	131.2 Å²	131.2	65%	0.649	74%	0.741	S	S	*	*			trans	-96.3	109	160.6	-170.4	0	0	0	0	110.9	S831 T835	S831-C833 PolarHBondContact O-N 3.42Å; C833-T835 VanDerWaalsContact C-N 3.28Å; C833-T835 PolarHBondContact O-N 3.35Å
834	P	27.7	Very low	28.6	Very low	127 Å²	127	126.5 Å²	126.5	83%	0.825	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	68.1	-173.5	34.4	-36.6	0	0	0	112.2	D832	D832-P834 WeakPolarHBondContact O-CD 3.37Å
835	T	33	Very low	28.6	Very low	108 Å²	108	132.5 Å²	132.5	66%	0.663	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.6	-40.6	170.7	-46.9	0	0	0	0	111.7	C833 R837	C833-T835 VanDerWaalsContact C-N 3.28Å; C833-T835 PolarHBondContact O-N 3.35Å; T835-R837 PolarHBondContact O-N 3.26Å
836	C	29.9	Very low	28.5	Very low	122 Å²	122	130.4 Å²	130.4	82%	0.824	72%	0.72	S	S	*	*	S	Bend	trans	-96.9	64.5	-175.4	-47.1	0	0	0	0	111.8
837	R	29.3	Very low	28.6	Very low	241 Å²	241	132.6 Å²	132.6	91%	0.909	73%	0.726	S	S	*	*			trans	-151.2	69.8	172.8	-166.3	-175.4	-172.8	174.2	5.7	110.8	T835	T835-R837 PolarHBondContact O-N 3.26Å
838	R	29	Very low	28.5	Very low	201 Å²	201	127.5 Å²	127.5	76%	0.758	72%	0.715	S	S	*	*	S	Bend	trans	-163	-6.1	176.6	-137.7	-175.8	-178.4	151.3	3.9	117.6	M2096	R838-M2096 PolarHBondContact NH2-SD 3.3Å
839	L	31	Very low	28.5	Very low	119 Å²	119	129.3 Å²	129.3	62%	0.623	72%	0.719	S	S	*	*	S	Bend	trans	-142.2	134.7	-173.3	-63.9	163.7	0	0	0	106.7	F2137	L839-F2137 HydrophobicContact CB-CE1 4.33Å; L839-F2137 HydrophobicContact CB-CE2 4.14Å; L839-F2137 HydrophobicContact CB-CZ 3.67Å; L839-F2137 HydrophobicContact CD1-CE2 3.8Å; L839-F2137 HydrophobicContact CD1-CZ 3.6Å; L839-F2137 HydrophobicContact CD2-CE2 3.87Å; L839-F2137 HydrophobicContact CD2-CZ 4.26Å; L839-F2137 HydrophobicContact CG-CE2 4.11Å; L839-F2137 HydrophobicContact CG-CZ 3.99Å
840	L	30.2	Very low	28.6	Very low	107 Å²	107	130.5 Å²	130.5	56%	0.56	72%	0.721	S	S	*	*	S	Bend	trans	63.7	140.9	-169.1	-50.6	178	0	0	0	115.7	F2137	L840-F2137 HydrophobicContact CD1-CD1 4.2Å; L840-F2137 HydrophobicContact CD1-CE1 4.35Å; L840-F2137 HydrophobicContact CD2-CD1 4.2Å; L840-F2137 HydrophobicContact CG-CD1 4.24Å; L840-F2137 HydrophobicContact CG-CE1 4.33Å
841	G	28.6	Very low	28.7	Very low	61 Å²	61	128.9 Å²	128.9	63%	0.629	71%	0.711	S	S	*	*			trans	81.2	82.6	177.5	0	0	0	0	0	116.2
842	C	26.8	Very low	28.8	Very low	116 Å²	116	128.4 Å²	128.4	78%	0.784	70%	0.7	S	S	*	*			trans	-145.9	145	159.6	-92.4	0	0	0	0	109.9
843	S	30.4	Very low	29	Very low	115 Å²	115	127.7 Å²	127.7	80%	0.804	69%	0.685	S	S	*	*			trans	65.7	161.4	-158.4	-49.7	0	0	0	0	110.9
844	S	29	Very low	29.3	Very low	64 Å²	64	125.2 Å²	125.2	45%	0.448	67%	0.665	S	S	.	*			cis	-116.2	172.7	-4.4	-77.9	0	0	0	0	114	E1756	S844-E1756 WeakPolarHBondContact CB-OE2 3.37Å
845	R	27.7	Very low	29.5	Very low	185 Å²	185	122.3 Å²	122.3	70%	0.698	65%	0.648	S	S	*	*			trans	154.2	66.8	148.7	-163.2	140.2	-62.5	-150.6	10.7	112.1	E1756	R845-E1756 IonicContact CZ-OE1 3.53Å; R845-E1756 IonicContact NE-OE1 3.14Å; R845-E1756 PolarHBondContact NE-OE1 3.29Å; R845-E1756 IonicContact NH2-OE1 2.72Å; R845-E1756 PolarHBondContact NH2-OE1 2.79Å
846	I	27.1	Very low	29.4	Very low	72 Å²	72	124.2 Å²	124.2	37%	0.369	65%	0.647	S	S	.	*				54.3	120.8	115.3	-61.4	178.1	0	0	0	118.4	E1756 I1764	I846-E1756 WeakPolarHBondContact CD1-OE2 3.36Å; I846-I1764 HydrophobicContact CD1-CD1 4.2Å; I846-I1764 HydrophobicContact CD1-CG2 3.92Å
847	H	26.9	Very low	29.5	Very low	170 Å²	170	124.1 Å²	124.1	79%	0.787	64%	0.642	S	S	*	*			trans	58.4	154.7	153.3	-60.8	-16.7	0	0	0	122.1
848	G	27.6	Very low	29.7	Very low	64 Å²	64	118.5 Å²	118.5	66%	0.66	63%	0.63	S	S	*	*			trans	161.8	6.6	167.5	0	0	0	0	0	119.3
849	H	27.7	Very low	29.8	Very low	191 Å²	191	115.9 Å²	115.9	88%	0.884	63%	0.627	S	S	*	*			trans	-145.5	26.5	178.2	-106.2	-17.4	0	0	0	120.4
850	Q	29.8	Very low	29.8	Very low	178 Å²	178	116.5 Å²	116.5	83%	0.832	63%	0.629	S	S	*	*			trans	-76	140.2	138.4	-71.3	-110.4	44.1	0	0	107.6
851	T	28.2	Very low	29.9	Very low	93 Å²	93	117.1 Å²	117.1	57%	0.571	63%	0.633	S	S	*	*			cis	-123.7	-165.4	-21.1	48.5	0	0	0	0	108.5
852	D	29.6	Very low	30	Very low	102 Å²	102	119.5 Å²	119.5	55%	0.545	63%	0.632	S	S	.	*				175	129.3	67.9	-154.6	42.3	0	0	0	112.3
853	R	32.4	Very low	30.3	Very low	150 Å²	150	120.9 Å²	120.9	57%	0.566	63%	0.631	S	S	*	*			trans	77.7	159.4	131.6	-69.2	-175	-178	124.4	-3.6	125.8	V937 N939 N940	R853-V937 CarbonylContact C-O 3.24Å; R853-V937 VanDerWaalsContact CA-O 3.31Å; R853-V937 WeakPolarHBondContact CA-O 3.37Å; R853-V937 WeakPolarHBondContact CB-O 3.24Å; R853-V937 WeakPolarHBondContact CG-O 3.18Å; R853-N939 CarbonylContact O-C 3.58Å; R853-N940 PolarHBondContact O-N 2.84Å
854	N	32.7	Very low	30.5	Very low	44 Å²	44	120.6 Å²	120.6	24%	0.235	63%	0.625	C	S	.	*			trans	-71.3	135.5	-142.1	-133.1	-68.3	0	0	0	118.1	K856 V937 D938 N939	N854-K856 PolarHBondContact ND2-NZ 3.24Å; N854-K856 PolarHBondContact OD1-NZ 2.85Å; N854-V937 HydrophobicContact CB-CG1 3.87Å; N854-V937 VanDerWaalsContact CB-O 3.29Å; N854-V937 WeakPolarHBondContact CB-O 3.41Å; N854-V937 PolarHBondContact N-O 3.12Å; N854-V937 WeakPolarHBondContact ND2-CG1 3.23Å; N854-D938 WeakPolarHBondContact CA-O 3.18Å; N854-D938 WeakPolarHBondContact CB-O 3.39Å; N854-D938 PolarHBondContact N-O 3.2Å; N854-D938 PolarHBondContact ND2-O 3.12Å; N854-D938 PolarHBondContact ND2-OD1 2.63Å; N854-D938 PolarHBondContact ND2-OD2 2.61Å; N854-N939 VanDerWaalsContact CA-O 3.28Å; N854-N939 WeakPolarHBondContact CA-O 3.13Å
855	S	31.8	Very low	30.7	Very low	66 Å²	66	123.2 Å²	123.2	46%	0.462	63%	0.633	S	S	.	*				158.8	140.8	81.6	60.3	0	0	0	0	123
856	K	32.1	Very low	31.1	Very low	147 Å²	147	120.9 Å²	120.9	64%	0.639	64%	0.635	S	S	*	*			trans	70.8	112.4	130.8	-76.9	166.5	-169.5	68.1	0	121.9	N854	N854-K856 PolarHBondContact ND2-NZ 3.24Å; N854-K856 PolarHBondContact OD1-NZ 2.85Å
857	V	32.1	Very low	31.6	Very low	120 Å²	120	122.3 Å²	122.3	73%	0.727	64%	0.643	S	S	*	*				61.9	102.6	115.2	175.8	0	0	0	0	118
858	D	32.4	Very low	32	Very low	123 Å²	123	120.9 Å²	120.9	66%	0.658	64%	0.635	S	S	*	*				-173.9	107.9	112.4	-103.1	-11.2	0	0	0	109.9
859	Q	31.8	Very low	32.5	Very low	147 Å²	147	123.9 Å²	123.9	69%	0.687	64%	0.636	S	S	*	*				81.7	148.5	97	-84.2	-172.5	60.5	0	0	115.9
860	I	31.1	Very low	32.8	Very low	131 Å²	131	122.1 Å²	122.1	67%	0.672	63%	0.628	S	S	*	*			trans	73.9	122.1	153.2	-74.2	160.7	0	0	0	114.9
861	D	32.1	Very low	33	Very low	120 Å²	120	120 Å²	120	64%	0.642	62%	0.622	S	S	*	*			cis	-164.2	134.2	12.9	-125.8	6.3	0	0	0	114.4
862	N	31.6	Very low	33.3	Very low	112 Å²	112	121.5 Å²	121.5	60%	0.599	63%	0.627	S	S	*	*			trans	60.4	149.5	138.3	-63.2	-41.5	0	0	0	123.4
863	N	31.7	Very low	33.3	Very low	145 Å²	145	125.9 Å²	125.9	78%	0.775	64%	0.637	S	S	*	*			trans	80.1	142.8	155.2	-51.5	-53.6	0	0	0	114.8
864	V	34.4	Very low	33.2	Very low	109 Å²	109	123.3 Å²	123.3	66%	0.661	64%	0.635	S	S	*	*			cis	-177.6	149.3	3	127	0	0	0	0	103.3
865	D	34.7	Very low	33.1	Very low	118 Å²	118	130.9 Å²	130.9	63%	0.631	67%	0.668	S	S	*	*			cis	-163.9	158.4	-14.1	-89.4	-18.7	0	0	0	103.1
866	D	35.3	Very low	33.1	Very low	136 Å²	136	130.8 Å²	130.8	73%	0.727	67%	0.668	S	S	*	*			trans	61.7	148.1	155.8	-55.6	-13.3	0	0	0	117.3
867	D	37.1	Very low	33	Very low	102 Å²	102	133.2 Å²	133.2	55%	0.545	68%	0.682	S	S	.	*			cis	-158.7	166.5	-15.1	-115.3	-12.1	0	0	0	110.1
868	K	36.3	Very low	32.9	Very low	140 Å²	140	132.7 Å²	132.7	61%	0.609	68%	0.679	S	S	*	*			trans	-2.8	144.9	134.3	-31.3	165.3	-170.1	67.2	0	115.5
869	D	36.7	Very low	32.7	Very low	128 Å²	128	132 Å²	132	68%	0.684	68%	0.679	S	S	*	*				-155.8	136	64.8	-81.1	-34.4	0	0	0	107.1
870	E	35.4	Very low	32.5	Very low	154 Å²	154	132.4 Å²	132.4	72%	0.72	68%	0.681	S	S	*	*				63.9	127.3	76.6	-73.4	-172.7	177.3	0	0	113.2
871	D	33.3	Very low	32.5	Very low	134 Å²	134	133.1 Å²	133.1	72%	0.717	68%	0.683	S	S	*	*			trans	69.9	150.9	156.2	-53.1	-3.6	0	0	0	117.3
872	D	34	Very low	32.2	Very low	124 Å²	124	132.5 Å²	132.5	66%	0.663	68%	0.684	S	S	*	*			cis	-156.4	134.3	-7.1	-118.5	-8	0	0	0	106.6
873	Y	30.1	Very low	32	Very low	193 Å²	193	133.4 Å²	133.4	76%	0.757	69%	0.689	S	S	*	*				54.8	118.3	99.2	-86.9	-116.9	0	0	0	117.2
874	N	29.9	Very low	31.9	Very low	97 Å²	97	133.6 Å²	133.6	52%	0.519	69%	0.69	S	S	.	*				65.2	107.6	125	-66.2	34.3	0	0	0	121.4	S876	N874-S876 WeakPolarHBondContact CB-OG 3.33Å
875	E	30.6	Very low	31.9	Very low	202 Å²	202	132.8 Å²	132.8	94%	0.944	69%	0.689	S	S	*	*				-133.3	103.7	110.3	-68.3	-168.2	147.5	0	0	105.8
876	S	32.2	Very low	31.9	Very low	65 Å²	65	133.4 Å²	133.4	46%	0.455	69%	0.692	S	S	.	*			cis	64.7	105.3	23.3	99.8	0	0	0	0	115.9	N874	N874-S876 WeakPolarHBondContact CB-OG 3.33Å
877	E	30.3	Very low	32	Very low	198 Å²	198	133.3 Å²	133.3	93%	0.925	69%	0.692	S	S	*	*			trans	-120.1	44.8	136.1	-159.2	156.1	-130	0	0	110.3	T879	E877-T879 PolarHBondContact O-N 2.88Å
878	T	29.3	Very low	31.9	Very low	108 Å²	108	133.1 Å²	133.1	66%	0.663	69%	0.691	S	S	*	*			trans	-58.9	116.4	157.5	42.1	0	0	0	0	108.8
879	T	29	Very low	32.1	Very low	108 Å²	108	130.1 Å²	130.1	66%	0.663	68%	0.681	S	S	*	*			trans	-171.9	122.8	150.1	8.2	0	0	0	0	113.4	E877	E877-T879 PolarHBondContact O-N 2.88Å
880	E	28.1	Very low	32.2	Very low	157 Å²	157	124.8 Å²	124.8	73%	0.734	65%	0.653	S	S	*	*			trans	54.5	88.5	131.5	-75.6	-178.3	-157	0	0	117.9
881	M	29.3	Very low	32.3	Very low	146 Å²	146	118.1 Å²	118.1	72%	0.719	62%	0.622	S	S	*	*				151.3	139	85.8	-76.9	-128.3	170	0	0	114.7
882	T	27.1	Very low	32.5	Very low	106 Å²	106	112.6 Å²	112.6	65%	0.65	59%	0.593	S	S	*	*			trans	65.3	114.5	142.9	54.5	0	0	0	0	119.2
883	N	27	Very low	32.5	Very low	131 Å²	131	109.9 Å²	109.9	70%	0.701	58%	0.578	S	S	*	*				86.3	141.8	129.3	-80.9	77.4	0	0	0	118.7
884	D	29.7	Very low	32.6	Very low	149 Å²	149	105.7 Å²	105.7	80%	0.797	57%	0.569	S	S	*	*			trans	70.1	122.2	168.4	-31.5	-34.8	0	0	0	111.7
885	S	33.6	Very low	32.7	Very low	93 Å²	93	103.5 Å²	103.5	65%	0.65	57%	0.569	S	S	*	*			cis	-131.1	160.3	12.6	47.1	0	0	0	0	111.1
886	D	35.5	Very low	32.7	Very low	130 Å²	130	99.9 Å²	99.9	70%	0.695	55%	0.552	S	S	*	*				50.9	111.2	77.7	-4.1	-41	0	0	0	108.9
887	N	36.5	Very low	32.6	Very low	134 Å²	134	102 Å²	102	72%	0.717	56%	0.558	S	S	*	*			cis	-129.7	160.6	26.7	-92.1	49	0	0	0	112.9
888	D	36.6	Very low	32.7	Very low	98 Å²	98	96.6 Å²	96.6	52%	0.524	53%	0.532	S	S	.	.			cis	92.9	145	43.2	-51.3	4.7	0	0	0	111.6
889	D	39.9	Very low	32.7	Very low	77 Å²	77	96.6 Å²	96.6	41%	0.412	53%	0.528	S	S	.	.			cis	-136.6	-114.1	-38	-82	-48.8	0	0	0	110.8	D1850 K1852	D889-D1850 WeakPolarHBondContact CB-O 3.32Å; D889-K1852 HydrophobicContact CB-CG 3.98Å; D889-K1852 WeakPolarHBondContact OD2-CG 3.33Å; D889-K1852 PolarHBondContact OD2-N 3.04Å
890	D	38.6	Very low	32.9	Very low	17 Å²	17	94.7 Å²	94.7	9%	0.091	51%	0.513	C	S	.	.			cis	-152	-162.8	-9.6	-157.5	91.3	0	0	0	111.8	P1688 D1850 K1852	D890-P1688 WeakPolarHBondContact OD2-CD 3.44Å; D890-P1688 WeakPolarHBondContact OD2-CG 3.35Å; D890-D1850 WeakPolarHBondContact OD1-CA 3.28Å; D890-D1850 VanDerWaalsContact OD1-CB 3.23Å; D890-D1850 WeakPolarHBondContact OD1-CB 3.21Å; D890-K1852 VanDerWaalsContact CG-NZ 3.29Å; D890-K1852 IonicContact OD1-NZ 2.82Å; D890-K1852 PolarHBondContact OD1-NZ 2.88Å
891	D	37.5	Very low	33.3	Very low	14 Å²	14	90.4 Å²	90.4	8%	0.075	50%	0.496	C	S	.	.			trans	-138.9	-126.7	-154.9	-65.6	89.6	0	0	0	120.7	L1678 F1679 P1688 D1848 N1849 D1850 G1851	D891-L1678 CarbonylContact C-O 3.52Å; D891-L1678 VanDerWaalsContact O-O 3.04Å; D891-F1679 HydrophobicContact CB-CD1 3.42Å; D891-F1679 VanDerWaalsContact CB-CD1 3.42Å; D891-F1679 HydrophobicContact CB-CE1 3.68Å; D891-F1679 HydrophobicContact CB-CG 3.95Å; D891-F1679 HydrophobicContact CB-CZ 4.41Å; D891-F1679 WeakPolarHBondContact O-CA 3.37Å; D891-F1679 WeakPolarHBondContact OD2-CD1 3.35Å; D891-F1679 WeakPolarHBondContact OD2-CD2 3Å; D891-F1679 VanDerWaalsContact OD2-CE2 3.28Å; D891-F1679 WeakPolarHBondContact OD2-CE2 3.36Å; D891-F1679 VanDerWaalsContact OD2-CG 3.26Å; D891-F1679 WeakPolarHBondContact OD2-CG 2.99Å; D891-F1679 WeakPolarHBondContact OD2-CZ 3.03Å; D891-P1688 WeakPolarHBondContact O-CB 3.43Å; D891-P1688 WeakPolarHBondContact O-CG 3.41Å; D891-D1848 WeakPolarHBondContact CB-O 3.35Å; D891-N1849 VanDerWaalsContact CB-C 3.48Å; D891-N1849 HydrophobicContact CB-CB 3.67Å; D891-N1849 VanDerWaalsContact OD2-CB 3.28Å; D891-N1849 WeakPolarHBondContact OD2-CB 3.47Å; D891-N1849 VanDerWaalsContact OD2-CG 3.25Å; D891-N1849 PolarHBondContact OD2-ND2 2.91Å; D891-D1850 VanDerWaalsContact CB-N 3.27Å; D891-D1850 VanDerWaalsContact CG-N 3.29Å; D891-D1850 VanDerWaalsContact OD1-C 3.26Å; D891-D1850 WeakPolarHBondContact OD1-CA 3.24Å; D891-D1850 PolarHBondContact OD1-N 2.92Å; D891-G1851 PolarHBondContact OD1-N 3.45Å
892	D	38.5	Very low	33.4	Very low	17 Å²	17	84.2 Å²	84.2	9%	0.091	47%	0.466	C	S	.	.			cis	-157.7	161.6	-3.8	-171.3	23.6	0	0	0	115.7	L1678 P1688 S1690 K1834 D1848	D892-L1678 PolarHBondContact N-O 3.13Å; D892-P1688 HydrophobicContact CB-CG 4.45Å; D892-S1690 PolarHBondContact O-OG 3.18Å; D892-K1834 IonicContact OD1-NZ 2.87Å; D892-K1834 PolarHBondContact OD1-NZ 2.79Å; D892-K1834 IonicContact OD2-NZ 2.71Å; D892-K1834 PolarHBondContact OD2-NZ 3.48Å; D892-D1848 WeakPolarHBondContact CA-O 3.38Å; D892-D1848 HydrophobicContact CB-CB 4.17Å; D892-D1848 WeakPolarHBondContact CB-O 3.33Å; D892-D1848 WeakPolarHBondContact OD1-CA 3.3Å; D892-D1848 WeakPolarHBondContact OD2-CA 3.35Å
893	D	33.8	Very low	33.5	Very low	67 Å²	67	85.4 Å²	85.4	36%	0.358	46%	0.459	S	S	.	.			trans	52.6	173.6	157.4	-126.4	-61.7	0	0	0	126.3	G895 K1834	D893-G895 PolarHBondContact O-N 2.65Å; D893-G895 VanDerWaalsContact O-N 3.12Å; D893-K1834 WeakPolarHBondContact OD2-CE 3.3Å; D893-K1834 WeakPolarHBondContact OD2-CG 3.24Å; D893-K1834 IonicContact OD2-NZ 2.74Å; D893-K1834 PolarHBondContact OD2-NZ 3.39Å
894	D	30.9	Very low	33.7	Very low	105 Å²	105	82.1 Å²	82.1	56%	0.561	44%	0.442	S	S	*	.			trans	-80.1	38.4	-169.2	104.6	86.8	0	0	0	118.4	E896 K898	D894-E896 WeakPolarHBondContact O-CG 3.27Å; D894-K898 IonicContact OD1-NZ 3.6Å; D894-K898 PolarHBondContact OD1-NZ 2.7Å
895	G	32.3	Very low	33.8	Very low	51 Å²	51	83.2 Å²	83.2	53%	0.526	44%	0.435	S	S	.	.			trans	52.6	-135.8	-172.8	0	0	0	0	0	111.1	D893	D893-G895 PolarHBondContact O-N 2.65Å; D893-G895 VanDerWaalsContact O-N 3.12Å
896	E	30.7	Very low	33.7	Very low	127 Å²	127	87.1 Å²	87.1	59%	0.593	45%	0.448	S	S	*	.				173.5	88.4	122.1	-87.9	-139.3	141.5	0	0	113.5	D894 K898	D894-E896 WeakPolarHBondContact O-CG 3.27Å; E896-K898 HydrophobicContact CB-CD 4.15Å; E896-K898 HydrophobicContact CG-CD 4.13Å; E896-K898 WeakPolarHBondContact OE1-CD 3.43Å; E896-K898 WeakPolarHBondContact OE1-CE 3.32Å; E896-K898 IonicContact OE1-NZ 3.6Å; E896-K898 PolarHBondContact OE1-NZ 2.92Å; E896-K898 IonicContact OE2-NZ 2.74Å
897	D	31.1	Very low	33.5	Very low	109 Å²	109	83.6 Å²	83.6	58%	0.583	44%	0.442	S	S	*	.				38.4	-157.8	116.4	-178.7	27.1	0	0	0	118.9	K1806	D897-K1806 IonicContact OD1-NZ 3.73Å; D897-K1806 PolarHBondContact OD1-NZ 3.3Å
898	K	31.7	Very low	33.1	Very low	84 Å²	84	84.9 Å²	84.9	37%	0.365	44%	0.444	S	S	.	.			trans	59	83.7	154.5	-57.5	122	-170.8	154.3	0	118.8	D894 E896	D894-K898 IonicContact OD1-NZ 3.6Å; D894-K898 PolarHBondContact OD1-NZ 2.7Å; E896-K898 HydrophobicContact CB-CD 4.15Å; E896-K898 HydrophobicContact CG-CD 4.13Å; E896-K898 WeakPolarHBondContact OE1-CD 3.43Å; E896-K898 WeakPolarHBondContact OE1-CE 3.32Å; E896-K898 IonicContact OE1-NZ 3.6Å; E896-K898 PolarHBondContact OE1-NZ 2.92Å; E896-K898 IonicContact OE2-NZ 2.74Å
899	D	30	Very low	32.8	Very low	109 Å²	109	86.8 Å²	86.8	58%	0.583	45%	0.448	S	S	*	.				123.6	119.8	107.6	-87.6	-10	0	0	0	122.3
900	D	33	Very low	32.4	Very low	67 Å²	67	88.9 Å²	88.9	36%	0.358	46%	0.458	S	S	.	.			trans	72.5	92.4	136.6	-111.1	22.8	0	0	0	120.1	P902 R1807	D900-P902 VanDerWaalsContact O-CD 3.22Å; D900-P902 WeakPolarHBondContact O-CD 3.37Å; D900-R1807 IonicContact OD1-CZ 2.82Å; D900-R1807 IonicContact OD1-NE 2.76Å; D900-R1807 PolarHBondContact OD1-NE 2.96Å; D900-R1807 VanDerWaalsContact OD1-NE 3.13Å; D900-R1807 IonicContact OD1-NH2 3.69Å; D900-R1807 PolarHBondContact OD1-NH2 3.46Å; D900-R1807 IonicContact OD2-NH2 3.22Å
901	D	35.6	Very low	32	Very low	67 Å²	67	97.7 Å²	97.7	36%	0.358	49%	0.491	S	S	.	.				-25.5	129.8	114.8	153.2	69.5	0	0	0	110.1	R903 R1807	D901-R903 IonicContact OD2-CZ 2.67Å; D901-R903 IonicContact OD2-NE 3.51Å; D901-R1807 PolarHBondContact O-NH2 3.3Å; D901-R1807 IonicContact OD2-CZ 2.6Å; D901-R1807 IonicContact OD2-NH1 3.72Å; D901-R1807 PolarHBondContact OD2-NH1 3.46Å; D901-R1807 IonicContact OD2-NH2 2.97Å; D901-R1807 PolarHBondContact OD2-NH2 2.67Å
902	P	31	Very low	31.6	Very low	16 Å²	16	105.3 Å²	105.3	10%	0.104	53%	0.526	C	S	.	.				-128.5	179.7	118.6	18.8	-3.4	0	0	0	115.5	D900 T1921 E1923	D900-P902 VanDerWaalsContact O-CD 3.22Å; D900-P902 WeakPolarHBondContact O-CD 3.37Å; P902-T1921 VanDerWaalsContact CD-OG1 3.28Å; P902-T1921 WeakPolarHBondContact CD-OG1 3.13Å; P902-T1921 WeakPolarHBondContact CG-OG1 3.24Å; P902-E1923 VanDerWaalsContact C-CG 3.46Å; P902-E1923 HydrophobicContact CB-CB 3.64Å; P902-E1923 HydrophobicContact CB-CG 4.03Å; P902-E1923 WeakPolarHBondContact CB-OE1 3.15Å; P902-E1923 HydrophobicContact CG-CB 3.52Å; P902-E1923 HydrophobicContact CG-CG 4.36Å; P902-E1923 WeakPolarHBondContact O-CA 3.33Å; P902-E1923 WeakPolarHBondContact O-CB 3.45Å; P902-E1923 PolarHBondContact O-N 3.28Å
903	R	29.7	Very low	31.2	Very low	132 Å²	132	108.3 Å²	108.3	50%	0.498	55%	0.548	S	S	.	.			trans	-123	119.2	-152.7	-4.5	69.9	-175.6	144.9	1	112	D901 Y905 E1923	D901-R903 IonicContact OD2-CZ 2.67Å; D901-R903 IonicContact OD2-NE 3.51Å; R903-Y905 WeakPolarHBondContact O-CD2 3.37Å; R903-E1923 VanDerWaalsContact N-CG 3.34Å; R903-E1923 PolarHBondContact N-OE1 2.86Å
904	N	32.2	Very low	31.2	Very low	62 Å²	62	114.8 Å²	114.8	33%	0.332	57%	0.573	S	S	.	*			trans	-110.8	83.2	175.4	-156.8	77	0	0	0	117.1	E1923 Q1927	N904-E1923 HydrophobicContact CB-CG 3.95Å; N904-Q1927 HydrophobicContact CB-CG 3.29Å; N904-Q1927 VanDerWaalsContact OD1-CD 3.23Å; N904-Q1927 PolarHBondContact OD1-OE1 2.91Å
905	Y	31.5	Very low	31	Very low	171 Å²	171	116.2 Å²	116.2	67%	0.671	58%	0.579	S	S	*	*				46.6	113	123.6	-80.6	-93.7	0	0	0	117.4	R903	R903-Y905 WeakPolarHBondContact O-CD2 3.37Å
906	L	31.5	Very low	30.9	Very low	176 Å²	176	123.2 Å²	123.2	92%	0.921	60%	0.596	S	S	*	*				-175.1	112.4	99.2	-92.5	158.1	0	0	0	108.4
907	G	30.1	Very low	30.7	Very low	55 Å²	55	122.6 Å²	122.6	57%	0.567	61%	0.605	S	S	*	*			cis	143	171.7	5.4	0	0	0	0	0	109.6
908	E	29.5	Very low	30.8	Very low	161 Å²	161	123.6 Å²	123.6	75%	0.752	62%	0.615	S	S	*	*			trans	70.2	148.6	178	-58.2	-163.1	138	0	0	114.8
909	K	30.4	Very low	30.7	Very low	139 Å²	139	128.8 Å²	128.8	60%	0.604	64%	0.638	S	S	*	*			cis	-168.6	145.5	2.2	-118.2	166.2	-172.4	146.8	0	111.9
910	I	30.5	Very low	30.5	Very low	121 Å²	121	133.8 Å²	133.8	62%	0.621	65%	0.649	S	S	*	*			trans	77.4	136.4	137.2	-73.7	165.4	0	0	0	121.5
911	Y	31.4	Very low	30.1	Very low	202 Å²	202	138.8 Å²	138.8	79%	0.792	67%	0.67	S	S	*	*			trans	63.7	113.6	171.7	-63.3	-49.4	0	0	0	116.3
912	E	28.5	Very low	29.7	Very low	174 Å²	174	142.1 Å²	142.1	81%	0.813	69%	0.685	S	S	*	*			cis	67.1	125.6	24.1	-154	-163	-136.9	0	0	116.1
913	S	29.5	Very low	29.6	Very low	79 Å²	79	151.1 Å²	151.1	55%	0.552	72%	0.717	S	S	*	*			trans	96.6	96.2	156	78.4	0	0	0	0	121.2
914	K	35.1	Very low	29.5	Very low	204 Å²	204	152.7 Å²	152.7	89%	0.887	73%	0.727	S	S	*	*			trans	175.6	102.4	136.1	-91.1	148.9	-171.3	170.4	0	107.3
915	I	26.9	Very low	29.3	Very low	134 Å²	134	155.3 Å²	155.3	69%	0.687	74%	0.741	S	S	*	*			cis	69.1	87.4	31.1	-49.1	-177.7	0	0	0	114.3
916	K	28.7	Very low	29.3	Very low	199 Å²	199	152.1 Å²	152.1	87%	0.865	73%	0.732	S	S	*	*			trans	56.8	91.6	135.3	-57.3	175.7	-176.6	178.1	0	118.9
917	S	27.7	Very low	29.4	Very low	114 Å²	114	149.6 Å²	149.6	80%	0.797	72%	0.715	S	S	*	*			trans	177.6	118.7	149.2	176.3	0	0	0	0	108.6
918	T	32.6	Very low	29.5	Very low	129 Å²	129	151.1 Å²	151.1	79%	0.791	72%	0.717	S	S	*	*			cis	-144	126.4	38.5	41.8	0	0	0	0	115.2
919	F	28.6	Very low	29.6	Very low	194 Å²	194	149.6 Å²	149.6	85%	0.851	71%	0.708	S	S	*	*			trans	-90	148.2	146.1	-142	-86.4	0	0	0	108
920	R	26.1	Very low	29.6	Very low	213 Å²	213	149 Å²	149	80%	0.804	71%	0.712	S	S	*	*			trans	82.5	86.6	168.2	-44.6	172.2	-171.9	138.8	5.1	119.2
921	H	25.9	Very low	29.6	Very low	172 Å²	172	149 Å²	149	80%	0.796	71%	0.713	S	S	*	*	S	Bend		-163.9	134.3	126.6	-98.2	68.6	0	0	0	106
922	M	27.4	Very low	29.6	Very low	137 Å²	137	145.8 Å²	145.8	68%	0.675	71%	0.709	S	S	*	*			cis	-139	137.8	-20.3	-77.3	-139.1	-147.1	0	0	107.4
923	R	27.6	Very low	29.8	Very low	205 Å²	205	143 Å²	143	77%	0.774	70%	0.7	S	S	*	*				66.3	73.5	52	-168.7	-139.1	-163.7	163.8	10	113.8
924	K	27.3	Very low	29.8	Very low	165 Å²	165	146.3 Å²	146.3	72%	0.717	71%	0.711	S	S	*	*				163.7	132.7	120.8	-96.4	176	163.7	-152	0	118.4
925	L	28.3	Very low	29.7	Very low	118 Å²	118	139.8 Å²	139.8	62%	0.618	70%	0.703	S	S	*	*			trans	72.5	150	140.8	-56.4	165.5	0	0	0	116.2
926	E	32.1	Very low	30	Very low	104 Å²	104	140.8 Å²	140.8	49%	0.486	71%	0.709	S	S	.	*			cis	-149.8	119.4	11.4	-144.1	150	-126.1	0	0	116.3	S755	S755-E926 PolarHBondContact OG-O 3.01Å
927	E	33	Very low	30.1	Very low	123 Å²	123	134.6 Å²	134.6	58%	0.575	69%	0.688	S	S	*	*			trans	57.7	98.1	145.2	-76.7	-164.6	-153.4	0	0	119.9	S755 K929	S755-E927 WeakPolarHBondContact CB-O 3.38Å; E927-K929 IonicContact OE2-NZ 2.82Å; E927-K929 PolarHBondContact OE2-NZ 3.03Å
928	S	33.2	Very low	30.2	Very low	86 Å²	86	132.7 Å²	132.7	60%	0.601	67%	0.669	S	S	*	*				47.5	140.6	105.5	70.2	0	0	0	0	120
929	K	31.3	Very low	30.1	Very low	130 Å²	130	131.8 Å²	131.8	57%	0.565	66%	0.659	S	S	*	*				-170.8	154	99.7	-101.7	153.6	-150.9	65.1	0	113.6	E927	E927-K929 IonicContact OE2-NZ 2.82Å; E927-K929 PolarHBondContact OE2-NZ 3.03Å
930	D	30.4	Very low	30.2	Very low	126 Å²	126	127.9 Å²	127.9	67%	0.674	65%	0.647	S	S	*	*			trans	35.6	129.4	137.4	-51.4	-19.7	0	0	0	118
931	N	30	Very low	30.3	Very low	121 Å²	121	123.3 Å²	123.3	65%	0.647	64%	0.643	S	S	*	*			cis	165.6	172.9	4	-98.4	-38.3	0	0	0	102.8
932	D	31.4	Very low	30.3	Very low	135 Å²	135	118.3 Å²	118.3	72%	0.722	64%	0.638	S	S	*	*			trans	65.1	138.8	155.9	-53.3	-33.9	0	0	0	116.6
933	N	32	Very low	30.4	Very low	114 Å²	114	122 Å²	122	61%	0.61	65%	0.646	S	S	*	*			cis	175.3	138.6	-15.5	-92.1	-41.9	0	0	0	102.8
934	N	30.7	Very low	30.4	Very low	149 Å²	149	120 Å²	120	80%	0.797	65%	0.645	S	S	*	*			trans	61.4	125.2	174.9	-9.2	-76.6	0	0	0	113.4
935	G	32.6	Very low	30.4	Very low	68 Å²	68	119.5 Å²	119.5	70%	0.701	65%	0.645	S	S	*	*			cis	92.2	175.2	30.6	0	0	0	0	0	110.6
936	D	32.3	Very low	30.2	Very low	155 Å²	155	117.5 Å²	117.5	83%	0.829	64%	0.64	S	S	*	*			trans	67.7	135.2	-177.9	-53.8	-18	0	0	0	115.1
937	V	32.5	Very low	30.1	Very low	69 Å²	69	120.5 Å²	120.5	42%	0.418	66%	0.659	S	S	.	*			cis	-176.3	174.4	-10	72.6	0	0	0	0	109.1	R853 N854	R853-V937 CarbonylContact C-O 3.24Å; R853-V937 VanDerWaalsContact CA-O 3.31Å; R853-V937 WeakPolarHBondContact CA-O 3.37Å; R853-V937 WeakPolarHBondContact CB-O 3.24Å; R853-V937 WeakPolarHBondContact CG-O 3.18Å; N854-V937 HydrophobicContact CB-CG1 3.87Å; N854-V937 VanDerWaalsContact CB-O 3.29Å; N854-V937 WeakPolarHBondContact CB-O 3.41Å; N854-V937 PolarHBondContact N-O 3.12Å; N854-V937 WeakPolarHBondContact ND2-CG1 3.23Å
938	D	29.6	Very low	29.6	Very low	74 Å²	74	118.4 Å²	118.4	40%	0.396	66%	0.657	S	S	.	*			trans	-28.9	151.4	-177	72.2	98.4	0	0	0	122.5	N854	N854-D938 WeakPolarHBondContact CA-O 3.18Å; N854-D938 WeakPolarHBondContact CB-O 3.39Å; N854-D938 PolarHBondContact N-O 3.2Å; N854-D938 PolarHBondContact ND2-O 3.12Å; N854-D938 PolarHBondContact ND2-OD1 2.63Å; N854-D938 PolarHBondContact ND2-OD2 2.61Å
939	N	29.4	Very low	29.3	Very low	110 Å²	110	121.8 Å²	121.8	59%	0.588	67%	0.667	S	S	*	*			trans	65.7	92.2	158.1	-72.7	-75.3	0	0	0	125.5	R853 N854	R853-N939 CarbonylContact O-C 3.58Å; N854-N939 VanDerWaalsContact CA-O 3.28Å; N854-N939 WeakPolarHBondContact CA-O 3.13Å
940	N	31.8	Very low	29	Very low	112 Å²	112	120.8 Å²	120.8	60%	0.599	68%	0.676	S	S	*	*				73.9	157.2	121.9	-151.7	-30.5	0	0	0	122.1	R853	R853-N940 PolarHBondContact O-N 2.84Å
941	T	27.2	Very low	28.9	Very low	117 Å²	117	118.1 Å²	118.1	72%	0.718	67%	0.671	S	S	*	*			trans	94	112.8	162.6	71.2	0	0	0	0	121.8
942	G	27.4	Very low	28.6	Very low	67 Å²	67	116 Å²	116	69%	0.691	67%	0.666	S	S	*	*			trans	114.3	132.3	165.2	0	0	0	0	0	113.4
943	Y	29.4	Very low	28.3	Very low	215 Å²	215	119.8 Å²	119.8	84%	0.843	67%	0.67	S	S	*	*			cis	-141	130.3	10.8	-75.2	-106.9	0	0	0	108.5	E945	Y943-E945 PolarHBondContact O-N 2.86Å
944	H	26.3	Very low	28.1	Very low	163 Å²	163	122.3 Å²	122.3	76%	0.755	68%	0.678	S	S	*	*				40	37.7	64.8	-148.4	-51.9	0	0	0	116.2	C946	H944-C946 VanDerWaalsContact C-N 3.31Å
945	E	27.9	Very low	28.1	Very low	153 Å²	153	118.2 Å²	118.2	72%	0.715	67%	0.671	S	S	*	*			trans	-95	62.4	141	-85	-141.7	134.5	0	0	111.2	Y943 L947	Y943-E945 PolarHBondContact O-N 2.86Å; E945-L947 PolarHBondContact O-N 2.91Å
946	C	24.4	Very low	28.2	Very low	76 Å²	76	124.3 Å²	124.3	51%	0.514	68%	0.678	S	S	.	*			trans	-50.1	134.4	144.4	-50.8	0	0	0	0	109.4	H944 S948	H944-C946 VanDerWaalsContact C-N 3.31Å; C946-S948 PolarHBondContact O-N 2.99Å
947	L	29.5	Very low	28.2	Very low	168 Å²	168	124.9 Å²	124.9	88%	0.88	67%	0.673	S	S	*	*	S	Bend	trans	58.2	47.7	144.4	-66.3	164.1	0	0	0	118	E945	E945-L947 PolarHBondContact O-N 2.91Å
948	S	23.2	Very low	28.1	Very low	78 Å²	78	127.4 Å²	127.4	55%	0.545	68%	0.683	S	S	.	*			trans	-143.1	70.9	168.4	-172.7	0	0	0	0	117.7	C946	C946-S948 PolarHBondContact O-N 2.99Å
949	I	25.4	Very low	28.2	Very low	157 Å²	157	129.3 Å²	129.3	81%	0.805	69%	0.694	S	S	*	*	S	Bend		-128.3	71.9	102.3	-49.6	-175.8	0	0	0	110.4	A951	I949-A951 PolarHBondContact O-N 2.86Å
950	C	26.1	Very low	28.1	Very low	110 Å²	110	129.1 Å²	129.1	74%	0.743	69%	0.692	S	S	*	*			trans	-60.4	126.3	157.3	-175.2	0	0	0	0	110.1
951	A	27.3	Very low	28	Very low	70 Å²	70	132.6 Å²	132.6	58%	0.579	70%	0.697	S	S	*	*			trans	54.6	78.1	159	0	0	0	0	0	119.1	I949	I949-A951 PolarHBondContact O-N 2.86Å
952	S	24.5	Very low	28.1	Very low	77 Å²	77	136.3 Å²	136.3	54%	0.538	70%	0.698	S	S	.	*			trans	-157.5	124	144	-89.8	0	0	0	0	112.6
953	R	25.8	Very low	28.3	Very low	214 Å²	214	138.6 Å²	138.6	81%	0.808	70%	0.698	S	S	*	*			cis	-149.5	116	13.9	-105.4	149.2	-167.3	161.3	6.7	114.6
954	H	25.9	Very low	28.3	Very low	166 Å²	166	133.8 Å²	133.8	77%	0.769	69%	0.694	S	S	*	*				50.3	96.9	113.4	-66.1	-11.4	0	0	0	118.4
955	G	30.9	Very low	28.4	Very low	63 Å²	63	133.3 Å²	133.3	65%	0.649	70%	0.696	S	S	*	*				-177.5	124.6	115.5	0	0	0	0	0	113
956	K	35	Very low	28.5	Very low	196 Å²	196	130.1 Å²	130.1	85%	0.852	69%	0.691	S	S	*	*	S	Bend	cis	-159.4	165.7	6.8	-44.2	172.8	-173.3	70.9	0	106
957	K	33	Very low	28.8	Very low	168 Å²	168	134.4 Å²	134.4	73%	0.73	70%	0.704	S	S	*	*			cis	-174.9	152.7	14.9	-149.3	177.8	157.1	-146.8	0	110.3
958	L	30.3	Very low	29	Very low	121 Å²	121	132.9 Å²	132.9	63%	0.634	70%	0.696	S	S	*	*			trans	62.4	143.4	160.1	-70.2	135.7	0	0	0	117.9
959	D	31.7	Very low	29.5	Very low	115 Å²	115	136 Å²	136	62%	0.615	71%	0.707	S	S	*	*			cis	-173	132.5	-32.8	-115.5	4.7	0	0	0	108.7
960	L	27.9	Very low	30	Very low	105 Å²	105	135.1 Å²	135.1	55%	0.55	70%	0.704	S	S	.	*			trans	58	127.2	131.2	-62.7	171.5	0	0	0	120.3
961	R	28	Very low	30.3	Very low	185 Å²	185	133.6 Å²	133.6	70%	0.698	70%	0.695	S	S	*	*			trans	79.8	144.4	139.2	-63.6	162.3	-169.8	163.9	7.1	115.3
962	R	29.3	Very low	30.5	Very low	195 Å²	195	138.9 Å²	138.9	74%	0.736	71%	0.705	S	S	*	*			cis	-171.4	159.5	10.8	-127.2	169.7	-166	177.7	-0.7	112.5
963	T	31.6	Very low	30.8	Very low	115 Å²	115	138.7 Å²	138.7	71%	0.706	71%	0.714	S	S	*	*			trans	50.5	123.6	149.1	48.4	0	0	0	0	118.9
964	P	31	Very low	31.1	Very low	115 Å²	115	137 Å²	137	75%	0.747	72%	0.715	S	S	*	*			trans	-65.9	141.7	152.8	32.1	-33.9	0	0	0	109.4
965	N	28.6	Very low	31.3	Very low	152 Å²	152	136.4 Å²	136.4	81%	0.813	71%	0.713	S	S	*	*			trans	177	152.4	143.3	-103.4	-69.8	0	0	0	111
966	S	28.5	Very low	31.3	Very low	87 Å²	87	140.2 Å²	140.2	61%	0.608	72%	0.719	S	S	*	*			trans	57.7	116.2	150.9	63.2	0	0	0	0	120.1
967	E	31.7	Very low	31.1	Very low	166 Å²	166	138.9 Å²	138.9	78%	0.776	72%	0.715	S	S	*	*				82.9	109.4	121.6	-66.7	162.8	-166	0	0	119.2
968	D	33.7	Very low	31.1	Very low	135 Å²	135	136.8 Å²	136.8	72%	0.722	71%	0.712	S	S	*	*				82.4	120.3	123.9	-55.1	-2.6	0	0	0	121.4
969	D	34.3	Very low	31.1	Very low	145 Å²	145	137.4 Å²	137.4	78%	0.775	71%	0.712	S	S	*	*				68.4	125.3	128.5	-66	-4.2	0	0	0	123.3
970	D	34.7	Very low	31	Very low	138 Å²	138	137.5 Å²	137.5	74%	0.738	71%	0.712	S	S	*	*			trans	64.6	83.5	133.4	-85.3	-10.3	0	0	0	121.9
971	S	33.4	Very low	31.1	Very low	78 Å²	78	141.2 Å²	141.2	55%	0.545	72%	0.723	S	S	.	*				83.9	153	105.5	82	0	0	0	0	122.7
972	K	31.7	Very low	31.2	Very low	181 Å²	181	135.4 Å²	135.4	79%	0.787	72%	0.722	S	S	*	*			trans	76.2	110.8	154.6	-62.1	175.6	-159.3	73.6	0	119.9
973	G	30.6	Very low	31.2	Very low	72 Å²	72	131 Å²	131	74%	0.742	72%	0.72	S	S	*	*			trans	78.9	165.2	140.1	0	0	0	0	0	116.3
974	E	30.5	Very low	31	Very low	178 Å²	178	131.6 Å²	131.6	83%	0.832	72%	0.724	S	S	*	*			cis	-164.6	165	-7.3	-132.3	164.9	-179.3	0	0	107
975	E	31.3	Very low	30.8	Very low	155 Å²	155	131.4 Å²	131.4	72%	0.724	72%	0.72	S	S	*	*			trans	62.1	103.6	158.1	-61.7	176.4	170.1	0	0	119.5
976	D	31.1	Very low	30.7	Very low	142 Å²	142	132 Å²	132	76%	0.759	72%	0.719	S	S	*	*				75.7	147.8	109.7	-57.2	-10.9	0	0	0	124.8
977	E	30.8	Very low	30.6	Very low	168 Å²	168	132.3 Å²	132.3	79%	0.785	72%	0.72	S	S	*	*			trans	74.6	91.3	142	-80	-174.4	-175.3	0	0	123.3
978	D	32.1	Very low	30.3	Very low	125 Å²	125	129.6 Å²	129.6	67%	0.668	72%	0.716	S	S	*	*				85.2	156.7	97	-151	13.2	0	0	0	122.3
979	Q	30.4	Very low	30	Very low	134 Å²	134	128.5 Å²	128.5	63%	0.626	71%	0.714	S	S	*	*			trans	81.3	98.1	149.2	-85.4	170.7	75.4	0	0	123.5
980	L	30.2	Very low	29.5	Very low	116 Å²	116	128.4 Å²	128.4	61%	0.607	71%	0.708	S	S	*	*				106.5	122.8	114.4	-64.7	170.2	0	0	0	123.4
981	K	29.1	Very low	29.3	Very low	183 Å²	183	127.1 Å²	127.1	80%	0.796	70%	0.702	S	S	*	*				77.4	130.2	128.1	-74.4	170.1	178.5	115.2	0	121
982	G	31.2	Very low	29	Very low	64 Å²	64	130.8 Å²	130.8	66%	0.66	71%	0.708	S	S	*	*			trans	128.2	65.4	147.3	0	0	0	0	0	113.4
983	S	29.6	Very low	28.8	Very low	101 Å²	101	129.5 Å²	129.5	71%	0.706	71%	0.709	S	S	*	*				66.8	148.3	77.9	82.2	0	0	0	0	115
984	T	25.9	Very low	28.7	Very low	129 Å²	129	130.5 Å²	130.5	79%	0.791	70%	0.7	S	S	*	*			trans	63.9	140	165.8	44.3	0	0	0	0	117.3
985	V	27.9	Very low	28.6	Very low	110 Å²	110	128.8 Å²	128.8	67%	0.667	69%	0.692	S	S	*	*			cis	-178.2	179.8	-16.5	98.5	0	0	0	0	106.1
986	E	26.4	Very low	28.5	Very low	166 Å²	166	126.4 Å²	126.4	78%	0.776	68%	0.684	S	S	*	*			trans	63	87.4	164.1	-84.3	148.6	-141.8	0	0	115.5
987	S	26.3	Very low	28.4	Very low	92 Å²	92	126.5 Å²	126.5	64%	0.643	68%	0.678	S	S	*	*				79.4	169.4	79.3	73	0	0	0	0	115.7
988	T	25.6	Very low	28.4	Very low	110 Å²	110	124.8 Å²	124.8	68%	0.675	67%	0.674	S	S	*	*			trans	73	124.5	150.3	40.7	0	0	0	0	119.6
989	T	26.1	Very low	28.2	Very low	111 Å²	111	128.1 Å²	128.1	68%	0.681	68%	0.683	S	S	*	*			trans	74.2	102.8	139.1	57.5	0	0	0	0	118.1
990	E	25.5	Very low	28.4	Very low	143 Å²	143	130.6 Å²	130.6	67%	0.668	69%	0.692	S	S	*	*				88.3	133.3	109.6	-88.8	-162.5	-125.3	0	0	120.1	K992	E990-K992 IonicContact OE2-NZ 2.75Å
991	N	29.4	Very low	28.2	Very low	112 Å²	112	133.7 Å²	133.7	60%	0.599	70%	0.703	S	S	*	*				43.6	101.1	127.2	-69.7	-44.5	0	0	0	117.1
992	K	27.7	Very low	28.1	Very low	154 Å²	154	132.6 Å²	132.6	67%	0.67	71%	0.705	S	S	*	*				165.8	-177.4	97.9	-84.9	137.7	-151.1	106.4	0	109.4	E990	E990-K992 IonicContact OE2-NZ 2.75Å
993	L	26.4	Very low	28	Very low	154 Å²	154	134 Å²	134	81%	0.806	71%	0.705	S	S	*	*			trans	80.5	134	150.5	-95.3	53.4	0	0	0	115.6
994	V	29.1	Very low	28.1	Very low	94 Å²	94	136 Å²	136	57%	0.57	71%	0.707	S	S	*	*			cis	-173.4	147.5	-10.7	89.9	0	0	0	0	113.2
995	H	28	Very low	28.3	Very low	141 Å²	141	136.3 Å²	136.3	65%	0.653	70%	0.703	S	S	*	*			trans	67.4	161	152.4	-71.4	-2.9	0	0	0	117.1
996	N	30.1	Very low	28.5	Very low	105 Å²	105	139.4 Å²	139.4	56%	0.561	71%	0.708	S	S	*	*			cis	-155.7	126	-7.2	-115.1	-16.3	0	0	0	111.5
997	K	29.1	Very low	29	Very low	144 Å²	144	138.1 Å²	138.1	63%	0.626	71%	0.707	S	S	*	*				51.1	127.9	112.7	-74.9	-170.5	-164.3	60.4	0	121
998	N	30.7	Very low	29.4	Very low	133 Å²	133	141 Å²	141	71%	0.711	71%	0.713	S	S	*	*			trans	82.2	116	135.5	-56.8	-3.1	0	0	0	119.1
999	K	28.3	Very low	29.9	Very low	194 Å²	194	140.6 Å²	140.6	84%	0.843	71%	0.712	S	S	*	*				-109.5	144.8	93.6	-72.9	168.4	-168.2	161.9	0	106.5
1000	K	33	Very low	30.4	Very low	187 Å²	187	144 Å²	144	81%	0.813	72%	0.72	S	S	*	*				46.9	114.3	72.6	-66.9	-179.6	173.4	-173.4	0	110.5
1001	Q	27.8	Very low	30.7	Very low	180 Å²	180	144.2 Å²	144.2	84%	0.841	73%	0.725	S	S	*	*			cis	-129.4	-179.1	5.3	-53.1	-167.7	95.4	0	0	107.6
1002	L	26.9	Very low	31.3	Very low	160 Å²	160	145.9 Å²	145.9	84%	0.838	73%	0.729	S	S	*	*			cis	-130.6	173.9	6.7	-162.3	66.1	0	0	0	109.4
1003	S	27.8	Very low	32	Very low	95 Å²	95	148 Å²	148	66%	0.664	74%	0.738	S	S	*	*			trans	-131.1	136	-174.2	64.7	0	0	0	0	112.8
1004	N	31.4	Very low	32.9	Very low	141 Å²	141	147.6 Å²	147.6	75%	0.754	74%	0.736	S	S	*	*				-176.3	150.5	129.2	-99.2	-45.1	0	0	0	116.8
1005	L	31.6	Very low	33.8	Very low	136 Å²	136	149.1 Å²	149.1	71%	0.712	74%	0.735	S	S	*	*			trans	56.1	91.9	149.7	-59.7	163.3	0	0	0	119.2
1006	K	31.3	Very low	34.7	Very low	175 Å²	175	148.9 Å²	148.9	76%	0.761	74%	0.738	S	S	*	*				63.5	110.8	73.6	-60.4	173.2	-176.6	164.5	0	117.4
1007	N	37.3	Very low	35.6	Very low	140 Å²	140	151.4 Å²	151.4	75%	0.749	75%	0.747	S	S	*	*				172.5	114.3	116.8	-83.7	-28.9	0	0	0	115.2
1008	I	34.5	Very low	37	Very low	151 Å²	151	147.2 Å²	147.2	77%	0.774	74%	0.739	S	S	*	*				53.6	142	120.2	-60	165.2	0	0	0	120
1009	P	36.4	Very low	38	Very low	102 Å²	102	144.7 Å²	144.7	66%	0.662	73%	0.725	S	S	*	*			cis	-129.8	152.5	-20.6	35.9	-17.2	0	0	0	114.6
1010	E	36.5	Very low	39.4	Very low	182 Å²	182	139.9 Å²	139.9	85%	0.85	71%	0.712	S	S	*	*				58.3	98.9	73.1	-169.3	-177	-121.8	0	0	116.8
1011	I	32.2	Very low	40.8	Very low	148 Å²	148	138.7 Å²	138.7	76%	0.759	71%	0.707	S	S	*	*			trans	-165.2	162.9	160.2	-107.9	157.1	0	0	0	112.1	K1013	I1011-K1013 PolarHBondContact O-N 3Å
1012	H	40.5	Very low	42.4	Very low	147 Å²	147	132.3 Å²	132.3	68%	0.681	69%	0.685	S	S	*	*			trans	75.5	-7.6	167.9	-82.4	-53.3	0	0	0	124.9	N1014 K1015	H1012-N1014 PolarHBondContact O-N 2.98Å; H1012-K1015 PolarHBondContact O-N 3.17Å
1013	K	42.6	Very low	43.7	Very low	200 Å²	200	129.9 Å²	129.9	87%	0.87	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	2	174.8	-166.7	153	-175.6	155.7	0	116.6	I1011	I1011-K1013 PolarHBondContact O-N 3Å
1014	N	46.4	Very low	44.7	Very low	144 Å²	144	130.8 Å²	130.8	77%	0.77	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	17.4	-178.9	-63	-22.1	0	0	0	114.2	H1012	H1012-N1014 PolarHBondContact O-N 2.98Å
1015	K	48.7	Very low	45.7	Very low	127 Å²	127	132 Å²	132	55%	0.552	67%	0.671	S	S	*	*	S	Bend	trans	-99.4	-52.5	-179.7	-154.7	-172.5	170.7	-161.4	0	112.7	H1012 E1017 A1018 D1019	H1012-K1015 PolarHBondContact O-N 3.17Å; K1015-E1017 VanDerWaalsContact C-N 3.33Å; K1015-E1017 PolarHBondContact O-N 3Å; K1015-A1018 WeakPolarHBondContact O-CB 3.22Å; K1015-A1018 PolarHBondContact O-N 3.19Å; K1015-D1019 PolarHBondContact O-N 3.39Å
1016	L	45.4	Very low	46.7	Very low	136 Å²	136	132.8 Å²	132.8	71%	0.712	67%	0.668	S	S	*	*	H	α-helix	trans	-49.6	-47.3	178.7	-87.5	66.1	0	0	0	113.3	A1018 D1019 V1020	L1016-A1018 PolarHBondContact O-N 3.2Å; L1016-D1019 PolarHBondContact O-N 3.23Å; L1016-D1019 VanDerWaalsContact O-N 3.1Å; L1016-V1020 WeakPolarHBondContact O-CG2 3.35Å; L1016-V1020 PolarHBondContact O-N 3.19Å
1017	E	48.9	Very low	47.2	Very low	158 Å²	158	131 Å²	131	74%	0.738	67%	0.667	S	S	*	*	H	α-helix	trans	-60	-19.8	179.4	-66.6	-171.1	159	0	0	114.6	K1015	K1015-E1017 VanDerWaalsContact C-N 3.33Å; K1015-E1017 PolarHBondContact O-N 3Å
1018	A	59.2	Low	47.3	Very low	56 Å²	56	132.5 Å²	132.5	46%	0.463	67%	0.669	S	S	.	*	H	α-helix	trans	-88	-37.6	175.9	0	0	0	0	0	112.1	K1015 L1016 K1021 A1022	K1015-A1018 WeakPolarHBondContact O-CB 3.22Å; K1015-A1018 PolarHBondContact O-N 3.19Å; L1016-A1018 PolarHBondContact O-N 3.2Å; A1018-K1021 PolarHBondContact O-N 3.17Å; A1018-A1022 PolarHBondContact O-N 3.27Å; A1018-A1022 VanDerWaalsContact O-N 3.17Å
1019	D	51.4	Low	47.6	Very low	79 Å²	79	132.4 Å²	132.4	42%	0.422	67%	0.668	S	S	.	*	H	α-helix	trans	-83.2	-40	-171.4	-63.9	-34.5	0	0	0	111.5	K1015 L1016 K1021 A1022 L1023	K1015-D1019 PolarHBondContact O-N 3.39Å; L1016-D1019 PolarHBondContact O-N 3.23Å; L1016-D1019 VanDerWaalsContact O-N 3.1Å; D1019-K1021 PolarHBondContact O-N 3.01Å; D1019-A1022 PolarHBondContact O-N 2.97Å; D1019-L1023 PolarHBondContact O-N 2.77Å
1020	V	57.1	Low	47.5	Very low	94 Å²	94	133 Å²	133	57%	0.57	68%	0.675	S	S	*	*	H	α-helix	trans	-53.1	-38.2	167	172.3	0	0	0	0	111.1	L1016 N1024	L1016-V1020 WeakPolarHBondContact O-CG2 3.35Å; L1016-V1020 PolarHBondContact O-N 3.19Å; V1020-N1024 PolarHBondContact O-N 3.33Å
1021	K	63.5	Low	47.1	Very low	161 Å²	161	133.9 Å²	133.9	70%	0.7	68%	0.676	S	S	*	*	H	α-helix	trans	-74.7	-26.1	178.9	-166.1	164.5	-169.4	152.5	0	113.7	A1018 D1019	A1018-K1021 PolarHBondContact O-N 3.17Å; D1019-K1021 PolarHBondContact O-N 3.01Å
1022	A	61.8	Low	47.1	Very low	46 Å²	46	135.2 Å²	135.2	38%	0.38	68%	0.679	S	S	.	*	H	α-helix	trans	-84.5	-22.5	176.8	0	0	0	0	0	113.1	A1018 D1019 K1026	A1018-A1022 PolarHBondContact O-N 3.27Å; A1018-A1022 VanDerWaalsContact O-N 3.17Å; D1019-A1022 PolarHBondContact O-N 2.97Å; A1022-K1026 WeakPolarHBondContact O-CG 3.32Å
1023	L	52.8	Low	46.8	Very low	110 Å²	110	135.9 Å²	135.9	58%	0.576	68%	0.683	S	S	*	*	H	α-helix	trans	-73.6	-49.5	170.8	-75.2	162.7	0	0	0	111.1	D1019 E1025 K1026	D1019-L1023 PolarHBondContact O-N 2.77Å; L1023-E1025 PolarHBondContact O-N 3.32Å; L1023-K1026 WeakPolarHBondContact O-CB 3.42Å; L1023-K1026 PolarHBondContact O-N 3.11Å
1024	N	49.4	Very low	46.1	Very low	114 Å²	114	133.7 Å²	133.7	61%	0.61	68%	0.675	S	S	*	*	H	α-helix	trans	-64.1	-26.7	-177.2	-143.6	-46.8	0	0	0	112.9	V1020 K1026	V1020-N1024 PolarHBondContact O-N 3.33Å; N1024-K1026 VanDerWaalsContact C-N 3.29Å; N1024-K1026 PolarHBondContact O-N 2.77Å
1025	E	52.7	Low	45.3	Very low	165 Å²	165	132.1 Å²	132.1	77%	0.771	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-5.5	174.7	-149.3	170.7	-137	0	0	113.9	L1023	L1023-E1025 PolarHBondContact O-N 3.32Å
1026	K	52.6	Low	44.4	Very low	153 Å²	153	133.9 Å²	133.9	67%	0.665	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-30.4	178.2	-72.5	173.9	-178.1	172.1	0	114.8	A1022 L1023 N1024 Q1028	A1022-K1026 WeakPolarHBondContact O-CG 3.32Å; L1023-K1026 WeakPolarHBondContact O-CB 3.42Å; L1023-K1026 PolarHBondContact O-N 3.11Å; N1024-K1026 VanDerWaalsContact C-N 3.29Å; N1024-K1026 PolarHBondContact O-N 2.77Å; K1026-Q1028 PolarHBondContact O-N 3.24Å
1027	L	42.1	Very low	43.6	Very low	138 Å²	138	136.9 Å²	136.9	72%	0.723	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-15.3	-173.6	-100.2	75.9	0	0	0	114.6	I1029	L1027-I1029 PolarHBondContact O-N 2.81Å
1028	Q	38.1	Very low	42.6	Very low	172 Å²	172	135.3 Å²	135.3	80%	0.804	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	12.4	-170.8	-63.9	-166.4	-9.5	0	0	116.1	K1026	K1026-Q1028 PolarHBondContact O-N 3.24Å
1029	I	41	Very low	41.3	Very low	148 Å²	148	140.8 Å²	140.8	76%	0.759	69%	0.694	S	S	*	*	S	Bend	trans	-132.7	54.1	-170	-36.6	-177.7	0	0	0	114.7	L1027	L1027-I1029 PolarHBondContact O-N 2.81Å
1030	S	33.8	Very low	40.6	Very low	116 Å²	116	141.6 Å²	141.6	81%	0.811	70%	0.704	S	S	*	*			trans	-152.7	19.6	173	62.6	0	0	0	0	118
1031	K	28.9	Very low	39.4	Very low	200 Å²	200	146.4 Å²	146.4	87%	0.87	72%	0.717	S	S	*	*			trans	-101.4	153.5	167	-72.7	177	-179.7	170.1	0	111.2
1032	E	33.1	Very low	37.8	Very low	176 Å²	176	143.4 Å²	143.4	82%	0.822	72%	0.716	S	S	*	*			trans	76	100.7	-177.4	-51	-168.3	151	0	0	118.8
1033	H	34	Very low	36.3	Very low	161 Å²	161	149.9 Å²	149.9	75%	0.745	74%	0.739	S	S	*	*				175.9	107.2	108.2	-107	-85.7	0	0	0	117.2
1034	H	26.9	Very low	35.4	Very low	153 Å²	153	153.3 Å²	153.3	71%	0.708	75%	0.749	S	S	*	*			trans	52.1	100	132.1	-86.2	-79.4	0	0	0	125.5
1035	V	29.5	Very low	34.6	Very low	111 Å²	111	154.7 Å²	154.7	67%	0.673	75%	0.754	S	S	*	*				84.7	129.8	101.8	102.5	0	0	0	0	124.4
1036	K	29.9	Very low	33.5	Very low	164 Å²	164	152.5 Å²	152.5	71%	0.713	75%	0.753	S	S	*	*			trans	106	106.5	144.3	-73.7	175.8	-174.3	170.6	0	124.3
1037	Y	29.2	Very low	32.6	Very low	200 Å²	200	152.7 Å²	152.7	78%	0.784	75%	0.753	S	S	*	*				76.8	125.5	124	-75	-50.2	0	0	0	125.1
1038	N	28	Very low	32.1	Very low	124 Å²	124	150.5 Å²	150.5	66%	0.663	74%	0.742	S	S	*	*			trans	85.2	107.3	136.5	-69.7	15.1	0	0	0	122.9
1039	E	31	Very low	31.7	Very low	172 Å²	172	145.4 Å²	145.4	80%	0.804	72%	0.718	S	S	*	*				46	152.9	108.9	-73.8	-160.1	140.7	0	0	122.7
1040	P	38.1	Very low	31.4	Very low	96 Å²	96	142.8 Å²	142.8	62%	0.623	71%	0.706	S	S	*	*			cis	-147.7	-179.3	-43	42.5	-23.8	0	0	0	115.2
1041	K	30.8	Very low	31.2	Very low	194 Å²	194	141.1 Å²	141.1	84%	0.843	69%	0.69	S	S	*	*			trans	76.5	135.2	150.4	-79.3	179.8	-179.8	-176.1	0	123.8
1042	S	30.4	Very low	31.3	Very low	99 Å²	99	138.3 Å²	138.3	69%	0.692	69%	0.685	S	S	*	*			trans	88	128.4	131.9	61	0	0	0	0	123.8
1043	E	31.2	Very low	31.3	Very low	182 Å²	182	136.8 Å²	136.8	85%	0.85	68%	0.678	S	S	*	*			trans	70.5	150.3	151.7	-69.6	173.7	-163.8	0	0	119.3
1044	K	33.4	Very low	31.3	Very low	182 Å²	182	133.9 Å²	133.9	79%	0.791	67%	0.667	S	S	*	*			cis	-174.4	179.9	-28.5	-152.6	171.2	-175.5	176.5	0	106.9
1045	I	31.7	Very low	31.8	Very low	142 Å²	142	135.5 Å²	135.5	73%	0.728	67%	0.668	S	S	*	*			trans	76.9	110.6	168.5	-61.1	157.6	0	0	0	112.3
1046	T	30.8	Very low	31.9	Very low	120 Å²	120	135.6 Å²	135.6	74%	0.736	67%	0.665	S	S	*	*				70.1	138.6	52.7	76.4	0	0	0	0	113.2
1047	K	33.1	Very low	32.1	Very low	156 Å²	156	134 Å²	134	68%	0.678	66%	0.663	S	S	*	*			cis	-168.9	-152.7	13.5	-149.3	-157.2	174.1	-148.1	0	107.9
1048	I	30.4	Very low	32.2	Very low	93 Å²	93	131.1 Å²	131.1	48%	0.477	66%	0.661	S	S	.	*			trans	99.1	159.1	153.4	-48.7	-158	0	0	0	112	E1222 S1223	I1048-E1222 CarbonylContact C-O 3.57Å; I1048-E1222 WeakPolarHBondContact CG2-O 3.3Å; I1048-S1223 VanDerWaalsContact CG2-CA 3.45Å; I1048-S1223 WeakPolarHBondContact CG2-O 3.26Å
1049	Q	31.1	Very low	32.6	Very low	64 Å²	64	133.2 Å²	133.2	30%	0.299	67%	0.667	S	S	.	*			trans	-154.8	155.5	-144.6	-28.3	108.6	-148.5	0	0	118.8	E1222 S1223 E1224	Q1049-E1222 WeakPolarHBondContact CA-O 3.16Å; Q1049-E1222 WeakPolarHBondContact CB-O 3.4Å; Q1049-E1222 PolarHBondContact N-O 3.11Å; Q1049-E1222 PolarHBondContact NE2-O 2.92Å; Q1049-E1222 CarbonylContact O-C 3.5Å; Q1049-S1223 WeakPolarHBondContact O-CA 3.47Å; Q1049-S1223 WeakPolarHBondContact O-CB 3.34Å; Q1049-S1223 PolarHBondContact O-N 3.03Å; Q1049-E1224 WeakPolarHBondContact CA-OE1 3.28Å
1050	N	33.7	Very low	32.7	Very low	94 Å²	94	132.2 Å²	132.2	50%	0.503	67%	0.667	S	S	.	*			trans	79.4	159.8	154.3	-48.9	-23.7	0	0	0	117.3	S1223 E1224	N1050-S1223 WeakPolarHBondContact O-CB 3.08Å; N1050-E1224 PolarHBondContact N-OE1 2.68Å
1051	T	30.7	Very low	32.4	Very low	80 Å²	80	133.9 Å²	133.9	49%	0.491	67%	0.671	S	S	.	*			cis	-163.1	153.9	40.6	48.9	0	0	0	0	115.2	E1222	T1051-E1222 HydrophobicContact CG2-CG 4.32Å; T1051-E1222 WeakPolarHBondContact CG2-OE1 3.37Å
1052	D	31.3	Very low	32.4	Very low	141 Å²	141	130 Å²	130	75%	0.754	66%	0.659	S	S	*	*			trans	64	159.6	134.4	-63.6	-7.5	0	0	0	122.3
1053	E	32.8	Very low	32.3	Very low	145 Å²	145	131 Å²	131	68%	0.678	66%	0.657	S	S	*	*			cis	-160.8	151.5	6	-134.7	-177.3	176.6	0	0	113.5
1054	L	34	Very low	32.3	Very low	100 Å²	100	128.8 Å²	128.8	52%	0.524	65%	0.651	S	S	.	*			trans	62.7	161.7	138.5	-88.7	172	0	0	0	126.5
1055	Y	36.9	Very low	32.1	Very low	187 Å²	187	125 Å²	125	73%	0.733	65%	0.648	S	S	*	*			trans	93.6	131.2	157.9	-57.1	-74	0	0	0	119.9
1056	D	32.3	Very low	32	Very low	113 Å²	113	124.3 Å²	124.3	60%	0.604	65%	0.645	S	S	*	*			cis	174.6	179.7	-32.9	-99.5	2.1	0	0	0	107.9
1057	I	33.3	Very low	32	Very low	130 Å²	130	123.9 Å²	123.9	67%	0.667	64%	0.639	S	S	*	*			trans	86.4	80.9	158.7	-41.7	-172.2	0	0	0	116.9
1058	D	31.5	Very low	32	Very low	139 Å²	139	122.5 Å²	122.5	74%	0.743	64%	0.638	S	S	*	*				52.6	172.1	97.3	-42.9	-22.2	0	0	0	122
1059	E	35.6	Very low	32.1	Very low	169 Å²	169	123.7 Å²	123.7	79%	0.79	65%	0.646	S	S	*	*			trans	77	88.3	172.8	-57.7	-175.4	-174.5	0	0	114.6
1060	D	34.4	Very low	32.3	Very low	150 Å²	150	126.4 Å²	126.4	80%	0.802	66%	0.662	S	S	*	*				92.3	176.7	59.8	-76.5	-43.5	0	0	0	112.8
1061	D	31.2	Very low	32.4	Very low	132 Å²	132	127.9 Å²	127.9	71%	0.706	67%	0.67	S	S	*	*			trans	82.7	79.8	163.2	-75.4	0.4	0	0	0	119
1062	N	29.8	Very low	32.8	Very low	112 Å²	112	129.8 Å²	129.8	60%	0.599	68%	0.677	S	S	*	*				88.7	123.1	104	-67.5	-11.9	0	0	0	121
1063	D	29.1	Very low	33.2	Very low	119 Å²	119	128.8 Å²	128.8	64%	0.636	67%	0.672	S	S	*	*				75.3	118.3	117.8	-55.9	-7.3	0	0	0	120.1
1064	D	31.5	Very low	33.6	Very low	137 Å²	137	127.8 Å²	127.8	73%	0.733	67%	0.672	S	S	*	*				76.6	140.3	122.3	-73	-3.6	0	0	0	119.6
1065	S	29.3	Very low	34.1	Very low	103 Å²	103	129.2 Å²	129.2	72%	0.72	68%	0.68	S	S	*	*			trans	82.6	126.7	138.3	74.9	0	0	0	0	116.9
1066	N	30	Very low	34.3	Very low	126 Å²	126	127 Å²	127	67%	0.674	68%	0.68	S	S	*	*			cis	-172.4	-164.3	-7.5	-127.1	27.2	0	0	0	107.4
1067	D	30	Very low	34.6	Very low	112 Å²	112	127.9 Å²	127.9	60%	0.599	69%	0.685	S	S	*	*				38.6	131.6	128.1	-54.7	1.5	0	0	0	117.8
1068	D	32.6	Very low	34.8	Very low	126 Å²	126	126.5 Å²	126.5	67%	0.674	68%	0.679	S	S	*	*			cis	-176	-173.3	20.4	-122.6	-10.5	0	0	0	110.2
1069	D	33.6	Very low	35.1	Very low	119 Å²	119	123.5 Å²	123.5	64%	0.636	68%	0.681	S	S	*	*			trans	72.1	98.9	146.3	-65.2	-4.1	0	0	0	119
1070	D	35.1	Very low	35.2	Very low	121 Å²	121	120.1 Å²	120.1	65%	0.647	67%	0.668	S	S	*	*				106.3	130.9	103.4	-72.4	-5	0	0	0	120.8
1071	D	36.4	Very low	35.2	Very low	124 Å²	124	119.1 Å²	119.1	66%	0.663	66%	0.657	S	S	*	*			trans	67.1	134.4	134.2	-58.9	3.9	0	0	0	119.2
1072	D	38.1	Very low	35.4	Very low	120 Å²	120	118.9 Å²	118.9	64%	0.642	66%	0.655	S	S	*	*			cis	-166.3	167.4	10.1	-114.1	-11.6	0	0	0	111.9
1073	D	39.7	Very low	35.7	Very low	120 Å²	120	118.5 Å²	118.5	64%	0.642	65%	0.65	S	S	*	*			trans	63.1	103.2	142.7	-64.6	-0.6	0	0	0	122.5
1074	D	41.6	Very low	36.1	Very low	125 Å²	125	119.9 Å²	119.9	67%	0.668	65%	0.653	S	S	*	*				118	124	105.4	-76.3	-1.2	0	0	0	120.7
1075	D	43.3	Very low	36.3	Very low	130 Å²	130	118.6 Å²	118.6	70%	0.695	65%	0.646	S	S	*	*			trans	69.4	128.1	136.5	-65.2	6.3	0	0	0	121.2
1076	D	41.7	Very low	36.6	Very low	139 Å²	139	119.6 Å²	119.6	74%	0.743	64%	0.643	S	S	*	*			cis	-156.9	156	-3.7	-145.2	-4.2	0	0	0	116
1077	D	39.1	Very low	36.8	Very low	133 Å²	133	119.3 Å²	119.3	71%	0.711	64%	0.64	S	S	*	*			trans	-1.1	120.7	171	-99.1	-0.7	0	0	0	122.3
1078	D	37.5	Very low	37	Very low	100 Å²	100	119.6 Å²	119.6	54%	0.535	64%	0.642	S	S	.	*				50.9	138.8	99	-112.4	26.5	0	0	0	121.3	N1080 K1081	D1078-N1080 HydrophobicContact CB-CB 4.47Å; D1078-N1080 VanDerWaalsContact CG-ND2 3.3Å; D1078-N1080 PolarHBondContact OD1-ND2 3.34Å; D1078-N1080 VanDerWaalsContact OD1-ND2 3.13Å; D1078-N1080 VanDerWaalsContact OD2-CB 3.25Å; D1078-N1080 WeakPolarHBondContact OD2-CB 3.35Å; D1078-N1080 PolarHBondContact OD2-ND2 3.03Å; D1078-K1081 IonicContact OD2-NZ 3.56Å; D1078-K1081 PolarHBondContact OD2-NZ 3.22Å
1079	G	36.8	Very low	37	Very low	76 Å²	76	119.9 Å²	119.9	78%	0.784	64%	0.643	S	S	*	*			trans	-116.5	-68.2	159.5	0	0	0	0	0	111.5
1080	N	38.3	Very low	37	Very low	98 Å²	98	120.5 Å²	120.5	52%	0.524	65%	0.647	S	S	.	*			trans	67	165.7	151.4	-150.1	-22.2	0	0	0	118.6	D1078	D1078-N1080 HydrophobicContact CB-CB 4.47Å; D1078-N1080 VanDerWaalsContact CG-ND2 3.3Å; D1078-N1080 PolarHBondContact OD1-ND2 3.34Å; D1078-N1080 VanDerWaalsContact OD1-ND2 3.13Å; D1078-N1080 VanDerWaalsContact OD2-CB 3.25Å; D1078-N1080 WeakPolarHBondContact OD2-CB 3.35Å; D1078-N1080 PolarHBondContact OD2-ND2 3.03Å
1081	K	35	Very low	36.8	Very low	129 Å²	129	121.1 Å²	121.1	56%	0.561	65%	0.646	S	S	*	*			trans	62.8	145.7	166.6	-69.2	118	-164.5	163	0	117.1	D1078	D1078-K1081 IonicContact OD2-NZ 3.56Å; D1078-K1081 PolarHBondContact OD2-NZ 3.22Å
1082	D	35.8	Very low	36.5	Very low	127 Å²	127	122.6 Å²	122.6	68%	0.679	65%	0.649	S	S	*	*			cis	-134.3	147.1	26.4	-92	-42.1	0	0	0	111.2
1083	H	36.4	Very low	36.2	Very low	104 Å²	104	123.2 Å²	123.2	48%	0.481	65%	0.652	S	S	.	*				68.6	142	76.7	-79.9	-76.5	0	0	0	112.9
1084	E	35.6	Very low	35.7	Very low	148 Å²	148	125.2 Å²	125.2	69%	0.692	66%	0.657	S	S	*	*			cis	-157.8	141.6	23.2	-132.4	158.4	-146.9	0	0	112.5
1085	D	35.6	Very low	35.2	Very low	111 Å²	111	124.6 Å²	124.6	59%	0.594	65%	0.654	S	S	*	*			trans	63.6	160.9	139.6	-63.8	3.6	0	0	0	126.2
1086	D	35.6	Very low	34.6	Very low	124 Å²	124	125.1 Å²	125.1	66%	0.663	65%	0.652	S	S	*	*			trans	79.2	132.2	148.8	-82.4	3.7	0	0	0	120.9
1087	I	35.3	Very low	34	Very low	120 Å²	120	126 Å²	126	62%	0.615	65%	0.649	S	S	*	*			cis	-170.5	162	-8.2	-141.7	177.5	0	0	0	110.8
1088	D	33.8	Very low	33.6	Very low	117 Å²	117	126.8 Å²	126.8	63%	0.626	65%	0.653	S	S	*	*			trans	51.9	133.8	153.2	-61.1	-18.4	0	0	0	123.7
1089	D	32.5	Very low	33.2	Very low	132 Å²	132	126.1 Å²	126.1	71%	0.706	66%	0.662	S	S	*	*				73	123.3	127.3	-64.3	-6.9	0	0	0	123.7
1090	D	33.3	Very low	32.9	Very low	133 Å²	133	128.9 Å²	128.9	71%	0.711	66%	0.658	S	S	*	*				103.3	135.8	114.8	-98.1	-7.3	0	0	0	123.3
1091	Q	30.7	Very low	32.4	Very low	133 Å²	133	130 Å²	130	62%	0.621	66%	0.664	S	S	*	*			trans	70.8	117.9	150.1	-55.4	-90	-97.8	0	0	116.4
1092	E	31.2	Very low	32.2	Very low	156 Å²	156	133.4 Å²	133.4	73%	0.729	68%	0.675	S	S	*	*				77.2	161.8	63.6	-71.1	-173.9	175.8	0	0	113.9
1093	D	31.2	Very low	31.9	Very low	133 Å²	133	132 Å²	132	71%	0.711	68%	0.675	S	S	*	*			trans	65.4	104.2	-173.8	-61.5	-17.7	0	0	0	114.8
1094	E	30	Very low	31.6	Very low	161 Å²	161	133.2 Å²	133.2	75%	0.752	69%	0.685	S	S	*	*				65.5	154	63.2	-63.7	-162.7	169.3	0	0	115.6
1095	N	30.8	Very low	31.3	Very low	113 Å²	113	132 Å²	132	60%	0.604	68%	0.683	S	S	*	*			trans	92.6	114.1	148.2	-73	-59.4	0	0	0	120.9
1096	E	29.8	Very low	30.9	Very low	141 Å²	141	132.5 Å²	132.5	66%	0.659	69%	0.686	S	S	*	*			trans	81.4	108.7	142.5	-60.1	-157.8	129.5	0	0	117.4
1097	K	30.1	Very low	30.6	Very low	156 Å²	156	131.7 Å²	131.7	68%	0.678	68%	0.682	S	S	*	*				78.3	151.8	65.4	-74.8	178.9	-162.2	119.2	0	112.5
1098	L	30	Very low	30.4	Very low	150 Å²	150	132.4 Å²	132.4	79%	0.785	68%	0.68	S	S	*	*			trans	67.4	80.9	153.1	-72.6	158.8	0	0	0	117.2
1099	A	29.8	Very low	30.3	Very low	87 Å²	87	134.5 Å²	134.5	72%	0.719	69%	0.686	S	S	*	*				67.7	-174.1	109.7	0	0	0	0	0	119.4
1100	D	30.1	Very low	30	Very low	133 Å²	133	131.9 Å²	131.9	71%	0.711	67%	0.672	S	S	*	*			trans	69.4	76.4	164.5	-70.1	-15.8	0	0	0	119.6
1101	N	28.8	Very low	29.6	Very low	122 Å²	122	127.7 Å²	127.7	65%	0.652	65%	0.651	S	S	*	*				73.4	159.4	116.5	-64.7	-52.9	0	0	0	120.4
1102	Y	29.7	Very low	29.5	Very low	201 Å²	201	125.8 Å²	125.8	79%	0.788	65%	0.645	S	S	*	*			trans	72.1	114.6	170.9	-55.8	-78.8	0	0	0	114.7
1103	S	30.3	Very low	29.2	Very low	97 Å²	97	125.3 Å²	125.3	68%	0.678	64%	0.641	S	S	*	*				53	75.3	55.1	-172.6	0	0	0	0	111.7
1104	N	29.4	Very low	29	Very low	129 Å²	129	124.7 Å²	124.7	69%	0.69	64%	0.642	S	S	*	*			trans	-151.8	104.6	146.6	-88	-83.6	0	0	0	106.7
1105	D	29	Very low	28.7	Very low	122 Å²	122	124.1 Å²	124.1	65%	0.652	64%	0.643	S	S	*	*				28.4	151.8	97	-44.4	-10.4	0	0	0	117.3
1106	N	28.5	Very low	28.8	Very low	123 Å²	123	128.1 Å²	128.1	66%	0.658	66%	0.655	S	S	*	*			trans	81.5	89.6	176.5	-46.5	-88	0	0	0	111.7
1107	D	29	Very low	28.9	Very low	106 Å²	106	126.3 Å²	126.3	57%	0.567	66%	0.656	S	S	*	*			cis	48.8	112	39.2	165.6	44.7	0	0	0	111.5
1108	K	31.2	Very low	28.8	Very low	135 Å²	135	121 Å²	121	59%	0.587	65%	0.646	S	S	*	*			trans	58.9	121.6	-161.1	-47.8	117.8	178.7	91.3	0	110.6
1109	H	30.1	Very low	28.8	Very low	161 Å²	161	123.2 Å²	123.2	75%	0.745	65%	0.645	S	S	*	*				-172.9	150.5	69.8	-84	-84.9	0	0	0	107.8
1110	D	27	Very low	28.8	Very low	78 Å²	78	125.2 Å²	125.2	42%	0.417	64%	0.637	S	S	.	*			cis	-147	118.3	21.5	-131.4	3.1	0	0	0	108.6	K1113	D1110-K1113 VanDerWaalsContact CG-NZ 3.26Å; D1110-K1113 IonicContact OD1-NZ 2.69Å; D1110-K1113 IonicContact OD2-NZ 3.5Å; D1110-K1113 PolarHBondContact OD2-NZ 3.08Å
1111	T	25.8	Very low	28.8	Very low	44 Å²	44	127 Å²	127	27%	0.27	64%	0.638	S	S	.	*				32.3	119.9	90.2	99.3	0	0	0	0	116.5	K1113 M2164	T1111-K1113 PolarHBondContact O-N 3.24Å; T1111-K1113 PolarHBondContact O-NZ 3.39Å; T1111-K1113 VanDerWaalsContact O-NZ 3.11Å; T1111-M2164 WeakPolarHBondContact CA-O 3.45Å; T1111-M2164 PolarHBondContact N-O 3.48Å
1112	N	26.9	Very low	28.8	Very low	93 Å²	93	126.2 Å²	126.2	50%	0.497	64%	0.643	S	S	.	*			trans	45	67.2	133.3	-86.6	-64.8	0	0	0	117.9	M2164	N1112-M2164 PolarHBondContact ND2-SD 3.33Å
1113	K	25.2	Very low	28.7	Very low	147 Å²	147	122.3 Å²	122.3	64%	0.639	63%	0.634	S	S	*	*			trans	-126	106	134.3	-71.6	89.1	-145.6	152.2	0	109	D1110 T1111	D1110-K1113 VanDerWaalsContact CG-NZ 3.26Å; D1110-K1113 IonicContact OD1-NZ 2.69Å; D1110-K1113 IonicContact OD2-NZ 3.5Å; D1110-K1113 PolarHBondContact OD2-NZ 3.08Å; T1111-K1113 PolarHBondContact O-N 3.24Å; T1111-K1113 PolarHBondContact O-NZ 3.39Å; T1111-K1113 VanDerWaalsContact O-NZ 3.11Å
1114	V	26.6	Very low	28.6	Very low	120 Å²	120	123.8 Å²	123.8	73%	0.727	63%	0.63	S	S	*	*				57.4	76.9	74.1	-174.1	0	0	0	0	112
1115	L	24.5	Very low	28.5	Very low	149 Å²	149	123.4 Å²	123.4	78%	0.78	63%	0.628	S	S	*	*			trans	-170.4	132	138.6	-82.1	131.6	0	0	0	104.9
1116	K	33.7	Very low	28.4	Very low	196 Å²	196	120.6 Å²	120.6	85%	0.852	63%	0.629	S	S	*	*			cis	46	88	10.2	-87.5	176	-178	155.1	0	111.9
1117	P	31.4	Very low	28.5	Very low	104 Å²	104	123.7 Å²	123.7	68%	0.675	64%	0.639	S	S	*	*				-93.6	170.2	50.4	41	-41.7	0	0	0	111.3
1118	G	28.2	Very low	28.7	Very low	45 Å²	45	124 Å²	124	46%	0.464	65%	0.647	S	S	.	*			cis	78.3	118.3	37.3	0	0	0	0	0	108
1119	Y	29.5	Very low	28.3	Very low	196 Å²	196	122.1 Å²	122.1	77%	0.769	65%	0.648	S	S	*	*			cis	-90.6	126.5	35.7	-81.9	-118.5	0	0	0	111.4
1120	K	29.9	Very low	28	Very low	128 Å²	128	120.5 Å²	120.5	56%	0.557	64%	0.644	S	S	*	*				60.8	119.5	68.3	-66.9	159.4	172.3	171.1	0	108.3
1121	K	30.5	Very low	28	Very low	170 Å²	170	123.8 Å²	123.8	74%	0.739	66%	0.656	S	S	*	*				41.2	107.1	97.1	-48.5	176.5	-177.2	-160.9	0	111.1
1122	S	27.6	Very low	28	Very low	107 Å²	107	129.6 Å²	129.6	75%	0.748	68%	0.678	S	S	*	*				-110.1	154.6	87.7	-61	0	0	0	0	108.8
1123	I	28.4	Very low	28.1	Very low	119 Å²	119	128.7 Å²	128.7	61%	0.61	68%	0.676	S	S	*	*			cis	60.1	123.5	43.8	-75.3	165.9	0	0	0	106.8
1124	Q	28.2	Very low	28.3	Very low	127 Å²	127	127.4 Å²	127.4	59%	0.593	68%	0.68	S	S	*	*			cis	176.3	170.3	6	-127.2	173	8.3	0	0	105.5
1125	N	26.4	Very low	28.5	Very low	121 Å²	121	127.4 Å²	127.4	65%	0.647	68%	0.676	S	S	*	*			trans	57.7	71.7	151.9	-44.7	-22.6	0	0	0	116.2
1126	G	28.8	Very low	28.9	Very low	64 Å²	64	128 Å²	128	66%	0.66	67%	0.673	S	S	*	*				102.2	167.4	128.8	0	0	0	0	0	118.5
1127	Q	28.8	Very low	28.9	Very low	188 Å²	188	126.8 Å²	126.8	88%	0.879	67%	0.667	S	S	*	*			cis	48.8	93.6	6.1	-151.4	-160.5	53.6	0	0	114.3
1128	P	32.9	Very low	28.7	Very low	111 Å²	111	128 Å²	128	72%	0.721	67%	0.667	S	S	*	*			cis	-128.1	-143.7	38.4	32.3	-6.5	0	0	0	107.3
1129	P	24.7	Very low	28.6	Very low	96 Å²	96	129.8 Å²	129.8	62%	0.623	67%	0.673	S	S	*	*			cis	-145.1	145	-2.2	39.4	-17.9	0	0	0	118.9
1130	I	22.4	Very low	28.7	Very low	127 Å²	127	126.5 Å²	126.5	65%	0.651	67%	0.669	S	S	*	*			trans	68.2	100.6	130.8	-69	169.8	0	0	0	116
1131	H	26.8	Very low	28.8	Very low	147 Å²	147	126.9 Å²	126.9	68%	0.681	68%	0.677	S	S	*	*			trans	44.6	137.5	136.3	-55	-100.7	0	0	0	118.1	T1133	H1131-T1133 HydrophobicContact CB-CG2 4.17Å
1132	K	27.6	Very low	28.9	Very low	167 Å²	167	125.9 Å²	125.9	73%	0.726	68%	0.68	S	S	*	*				-161.1	101.3	99.8	-99.9	151.8	-139.1	73.3	0	108.4
1133	T	27.3	Very low	29.1	Very low	74 Å²	74	127.1 Å²	127.1	45%	0.454	68%	0.682	S	S	.	*				68.4	125.1	90.8	67.9	0	0	0	0	110.9	H1131 N1135	H1131-T1133 HydrophobicContact CB-CG2 4.17Å; T1133-N1135 WeakPolarHBondContact CG2-OD1 3.24Å
1134	T	30.1	Very low	29.3	Very low	119 Å²	119	129.3 Å²	129.3	73%	0.73	69%	0.69	S	S	*	*				-128.4	123.8	54.9	36.7	0	0	0	0	114.5
1135	N	31.3	Very low	29.4	Very low	120 Å²	120	129.4 Å²	129.4	64%	0.642	69%	0.694	S	S	*	*				72	62.2	69.7	-65.8	-20.4	0	0	0	115	T1133	T1133-N1135 WeakPolarHBondContact CG2-OD1 3.24Å
1136	K	31.7	Very low	29.4	Very low	162 Å²	162	132.1 Å²	132.1	70%	0.704	70%	0.697	S	S	*	*			trans	-135.7	145.7	134.5	-94.2	169.1	136.8	-160.1	0	107.6	D1158	K1136-D1158 IonicContact NZ-OD2 2.73Å; K1136-D1158 PolarHBondContact NZ-OD2 3.34Å
1137	K	33.9	Very low	29.5	Very low	171 Å²	171	132.6 Å²	132.6	74%	0.743	68%	0.684	S	S	*	*			cis	-160.7	115.7	-31.5	-147.2	-166.7	179.4	-168.3	0	111.4
1138	L	27.8	Very low	29.8	Very low	128 Å²	128	130.1 Å²	130.1	67%	0.67	67%	0.668	S	S	*	*			trans	52.6	110.6	154	-58.4	165.8	0	0	0	116.7
1139	S	25.6	Very low	29.9	Very low	84 Å²	84	127.6 Å²	127.6	59%	0.587	65%	0.648	S	S	*	*				51.2	148.5	63.2	88.9	0	0	0	0	115.2
1140	N	31.7	Very low	31.1	Very low	126 Å²	126	129.9 Å²	129.9	67%	0.674	66%	0.655	S	S	*	*			trans	72.2	136.4	-178.3	-29.6	-70	0	0	0	111.1
1141	D	33	Very low	31.7	Very low	137 Å²	137	128.8 Å²	128.8	73%	0.733	66%	0.659	S	S	*	*			cis	-134.6	149.3	5.6	-87.4	-49.1	0	0	0	108.3
1142	D	31	Very low	32.4	Very low	149 Å²	149	126.5 Å²	126.5	80%	0.797	65%	0.652	S	S	*	*				58.2	137.3	75.2	-102.8	7	0	0	0	113.2
1143	V	33.2	Very low	32.8	Very low	132 Å²	132	123.8 Å²	123.8	80%	0.8	65%	0.645	S	S	*	*			trans	106.3	111.9	-172.8	176.3	0	0	0	0	110.9
1144	E	32.4	Very low	33.3	Very low	166 Å²	166	127 Å²	127	78%	0.776	66%	0.66	S	S	*	*			cis	82.3	93.3	44.2	-67.2	-161.7	148.4	0	0	114.6
1145	D	29.8	Very low	33.9	Very low	128 Å²	128	127 Å²	127	68%	0.684	66%	0.655	S	S	*	*			trans	68.2	147.8	161.7	-52.5	-23.1	0	0	0	116.7
1146	Y	26.6	Very low	34.1	Very low	179 Å²	179	126.2 Å²	126.2	70%	0.702	65%	0.651	S	S	*	*			trans	90.7	97.4	161.4	-50.7	-65.3	0	0	0	120
1147	D	30.9	Very low	34.2	Very low	73 Å²	73	121.8 Å²	121.8	39%	0.39	65%	0.651	S	S	.	*				87.6	130.2	118.5	-53.9	-7.8	0	0	0	117.9	K1327 D1328	D1147-K1327 HydrophobicContact CB-CB 3.33Å; D1147-K1327 HydrophobicContact CB-CD 4.24Å; D1147-K1327 HydrophobicContact CB-CG 4.38Å; D1147-K1327 VanDerWaalsContact O-CD 3.22Å; D1147-K1327 WeakPolarHBondContact O-CD 3.1Å; D1147-K1327 WeakPolarHBondContact O-CE 3.32Å; D1147-K1327 PolarHBondContact O-NZ 2.75Å; D1147-D1328 VanDerWaalsContact CA-CG 3.46Å; D1147-D1328 HydrophobicContact CB-CB 3.49Å; D1147-D1328 VanDerWaalsContact CB-CB 3.49Å
1148	Y	34.5	Very low	34.3	Very low	137 Å²	137	119.1 Å²	119.1	54%	0.537	65%	0.645	S	S	.	*			trans	-81.3	-159.4	178.7	-178.1	-105.2	0	0	0	112.8	K1327 D1328 K1329	Y1148-K1327 WeakPolarHBondContact O-CA 3.25Å; Y1148-K1327 WeakPolarHBondContact O-CB 3.39Å; Y1148-K1327 WeakPolarHBondContact O-CG 3.4Å; Y1148-K1327 PolarHBondContact O-NZ 3.49Å; Y1148-D1328 WeakPolarHBondContact CB-OD1 3.4Å; Y1148-D1328 PolarHBondContact N-OD1 3.39Å; Y1148-D1328 PolarHBondContact O-N 2.65Å; Y1148-K1329 HydrophobicContact CD1-CB 4.46Å; Y1148-K1329 HydrophobicContact CD1-CD 3.64Å; Y1148-K1329 HydrophobicContact CD1-CG 4.35Å; Y1148-K1329 HydrophobicContact CD2-CD 4.47Å; Y1148-K1329 HydrophobicContact CE1-CD 4.09Å; Y1148-K1329 VanDerWaalsContact CE1-NZ 3.28Å; Y1148-K1329 HydrophobicContact CG-CD 3.84Å; Y1148-K1329 PolarHBondContact OH-NZ 2.83Å
1149	D	36.3	Very low	34.6	Very low	57 Å²	57	120 Å²	120	31%	0.305	65%	0.65	S	S	.	*			trans	77.5	121.4	-177.9	-34.3	-15.1	0	0	0	115.3	K1327 D1328	D1149-K1327 VanDerWaalsContact OD2-CA 3.23Å; D1149-K1327 WeakPolarHBondContact OD2-CA 3.38Å; D1149-D1328 PolarHBondContact OD1-N 2.75Å; D1149-D1328 PolarHBondContact OD2-N 3.43Å; D1149-D1328 VanDerWaalsContact OD2-N 3.13Å
1150	D	48.9	Very low	34.9	Very low	145 Å²	145	122 Å²	122	78%	0.775	65%	0.654	S	S	*	*			trans	48.3	151.9	145.9	-31.5	-27.2	0	0	0	121.9
1151	S	36.2	Very low	34.9	Very low	103 Å²	103	120.2 Å²	120.2	72%	0.72	65%	0.648	S	S	*	*			trans	80.2	117.2	173.3	64.9	0	0	0	0	120
1152	N	40	Very low	34.9	Very low	100 Å²	100	120.2 Å²	120.2	54%	0.535	65%	0.648	S	S	.	*				85.7	141.3	120	-84	85.8	0	0	0	125
1153	D	37.1	Very low	35	Very low	110 Å²	110	120.7 Å²	120.7	59%	0.588	65%	0.646	S	S	*	*			trans	89.8	122.4	145	-44.9	-27.2	0	0	0	124.1
1154	D	38.1	Very low	35.2	Very low	142 Å²	142	120.5 Å²	120.5	76%	0.759	64%	0.644	S	S	*	*				105.6	138.7	117.8	-123.6	-14.7	0	0	0	125.6
1155	D	41.1	Very low	35.3	Very low	119 Å²	119	115.6 Å²	115.6	64%	0.636	64%	0.638	S	S	*	*			trans	-67.8	-175.6	-178.7	175.6	39.9	0	0	0	118.5	K1905	D1155-K1905 IonicContact OD2-NZ 3.64Å
1156	D	35.8	Very low	35.6	Very low	103 Å²	103	116.1 Å²	116.1	55%	0.551	64%	0.641	S	S	*	*			trans	89	72	143.2	-138	4.1	0	0	0	120.9	K1905	D1156-K1905 IonicContact OD1-NZ 2.66Å; D1156-K1905 PolarHBondContact OD1-NZ 3.29Å; D1156-K1905 IonicContact OD2-NZ 2.73Å; D1156-K1905 PolarHBondContact OD2-NZ 2.9Å
1157	G	35.4	Very low	36	Very low	69 Å²	69	113.3 Å²	113.3	71%	0.711	64%	0.638	S	S	*	*				81.6	-167.2	99.2	0	0	0	0	0	122.6
1158	D	35.1	Very low	36.2	Very low	114 Å²	114	114.3 Å²	114.3	61%	0.61	64%	0.644	S	S	*	*			trans	58.5	97	-176.3	-85.1	2.1	0	0	0	116.7	K1136	K1136-D1158 IonicContact NZ-OD2 2.73Å; K1136-D1158 PolarHBondContact NZ-OD2 3.34Å
1159	D	33.3	Very low	36.3	Very low	146 Å²	146	112.9 Å²	112.9	78%	0.781	64%	0.642	S	S	*	*				76.4	163.2	68.4	-166.3	28.3	0	0	0	115.8
1160	D	32	Very low	36.3	Very low	127 Å²	127	115.4 Å²	115.4	68%	0.679	66%	0.655	S	S	*	*			trans	75.4	102.9	165.8	-100.7	-11.2	0	0	0	119
1161	T	32.9	Very low	35.5	Very low	88 Å²	88	114.8 Å²	114.8	54%	0.54	65%	0.652	S	S	.	*				118.5	126.9	113.5	54.1	0	0	0	0	122.1
1162	D	33.2	Very low	35.4	Very low	137 Å²	137	116.3 Å²	116.3	73%	0.733	65%	0.652	S	S	*	*			trans	58	143.5	132.1	-58.7	-3.3	0	0	0	120.2
1163	E	32.7	Very low	35	Very low	160 Å²	160	116.5 Å²	116.5	75%	0.748	66%	0.657	S	S	*	*			cis	-177.2	165.2	-12.9	-106.9	-162.7	151.9	0	0	103.3
1164	V	37.5	Very low	34.8	Very low	127 Å²	127	118.9 Å²	118.9	77%	0.77	66%	0.664	S	S	*	*			trans	64.9	118.4	167.9	-149.1	0	0	0	0	115.2
1165	G	33.5	Very low	34.4	Very low	63 Å²	63	116.5 Å²	116.5	65%	0.649	65%	0.651	S	S	*	*			cis	106.7	162.6	18.9	0	0	0	0	0	111.8
1166	D	36.4	Very low	33.8	Very low	139 Å²	139	118.2 Å²	118.2	74%	0.743	66%	0.656	S	S	*	*			trans	63.5	108.3	167.5	-61.3	4.5	0	0	0	117.6
1167	D	34.3	Very low	33.5	Very low	120 Å²	120	117.5 Å²	117.5	64%	0.642	66%	0.658	S	S	*	*				114.7	127.4	113.8	-80.3	17.3	0	0	0	122.3
1168	N	36.9	Very low	33.4	Very low	95 Å²	95	120.7 Å²	120.7	51%	0.508	66%	0.659	S	S	.	*			trans	66.5	103.4	140.8	-73.2	-67.4	0	0	0	119.3
1169	E	35	Very low	33.3	Very low	107 Å²	107	121.5 Å²	121.5	50%	0.5	66%	0.663	S	S	.	*				65.9	138.5	70.9	-71.5	-135.6	142.1	0	0	116.2	K2181	E1169-K2181 IonicContact OE1-NZ 2.96Å; E1169-K2181 PolarHBondContact OE1-NZ 2.94Å
1170	N	36.8	Very low	33.3	Very low	109 Å²	109	119.5 Å²	119.5	58%	0.583	66%	0.656	S	S	*	*			trans	68.4	149.5	151	-53.4	-17.7	0	0	0	118.2
1171	D	32.6	Very low	33.3	Very low	133 Å²	133	118.7 Å²	118.7	71%	0.711	66%	0.656	S	S	*	*			cis	-165.7	173	-23.2	-110.7	-27.2	0	0	0	110.8
1172	D	34.3	Very low	33.1	Very low	134 Å²	134	119 Å²	119	72%	0.717	66%	0.662	S	S	*	*			trans	51.7	117	146.4	-93.6	-10.8	0	0	0	123.3
1173	V	30.2	Very low	33	Very low	105 Å²	105	117.8 Å²	117.8	64%	0.636	66%	0.656	S	S	*	*				43.8	112.3	104.1	171.3	0	0	0	0	117.7
1174	H	32.8	Very low	32.9	Very low	160 Å²	160	117.9 Å²	117.9	74%	0.741	65%	0.654	S	S	*	*				-163.9	126.7	118.4	-116	21.4	0	0	0	118
1175	N	29.7	Very low	32.5	Very low	92 Å²	92	120.4 Å²	120.4	49%	0.492	65%	0.654	S	S	.	*				59.3	119.5	127.5	-79.5	-23.7	0	0	0	123.2
1176	Q	29.3	Very low	32.3	Very low	155 Å²	155	122.9 Å²	122.9	72%	0.724	66%	0.656	S	S	*	*				60.4	133.9	121	-54.4	169	26.2	0	0	120.2
1177	S	28.8	Very low	31.9	Very low	87 Å²	87	120.8 Å²	120.8	61%	0.608	65%	0.652	S	S	*	*				156.1	151.6	89.7	61.1	0	0	0	0	113.7
1178	N	34.8	Very low	31.6	Very low	136 Å²	136	123.2 Å²	123.2	73%	0.727	66%	0.657	S	S	*	*			trans	69.6	142.1	152.8	-53.5	-32.8	0	0	0	117.4
1179	D	32.2	Very low	31.2	Very low	131 Å²	131	124.8 Å²	124.8	70%	0.701	66%	0.664	S	S	*	*			cis	-162.9	144.1	1.1	-131.8	1.9	0	0	0	115.9
1180	V	33.8	Very low	31.1	Very low	104 Å²	104	125 Å²	125	63%	0.63	67%	0.669	S	S	*	*				60.7	98.7	128.7	158.3	0	0	0	0	120.6
1181	T	31.4	Very low	30.8	Very low	111 Å²	111	126.8 Å²	126.8	68%	0.681	67%	0.674	S	S	*	*				86.5	110.8	124	68.9	0	0	0	0	122.7
1182	S	29.4	Very low	30.7	Very low	94 Å²	94	126.2 Å²	126.2	66%	0.657	67%	0.666	S	S	*	*				89.5	165.9	108	79.2	0	0	0	0	122.9
1183	N	31.3	Very low	31	Very low	112 Å²	112	128 Å²	128	60%	0.599	67%	0.668	S	S	*	*			trans	84.4	87.7	153.9	-81.2	-72.6	0	0	0	118.6
1184	K	31	Very low	31	Very low	162 Å²	162	129.3 Å²	129.3	70%	0.704	67%	0.671	S	S	*	*				79.1	112.7	115.1	-81	-174.9	-177.7	64.9	0	118.3
1185	K	27.8	Very low	31.1	Very low	180 Å²	180	128.1 Å²	128.1	78%	0.783	67%	0.669	S	S	*	*				78.2	160.9	107.5	-157	178.2	-172.3	169.4	0	116.4
1186	V	29.3	Very low	31.2	Very low	114 Å²	114	132.5 Å²	132.5	69%	0.691	68%	0.684	S	S	*	*			trans	70	63.5	171.7	-163.8	0	0	0	0	112.6
1187	S	27.2	Very low	31.3	Very low	95 Å²	95	130.2 Å²	130.2	66%	0.664	68%	0.681	S	S	*	*				65.9	169.5	77.5	85.8	0	0	0	0	115.2
1188	K	28.9	Very low	31.5	Very low	172 Å²	172	132.2 Å²	132.2	75%	0.748	69%	0.689	S	S	*	*			trans	80.5	128.9	156.5	-83.8	175.6	165.7	-169.5	0	119
1189	I	28.6	Very low	31.3	Very low	128 Å²	128	130.8 Å²	130.8	66%	0.656	69%	0.685	S	S	*	*				117.2	123.8	115.5	-93.4	170.9	0	0	0	117.7
1190	D	33.9	Very low	31.4	Very low	111 Å²	111	132 Å²	132	59%	0.594	69%	0.692	S	S	*	*			trans	64.6	110.7	158.9	-55.6	-0.7	0	0	0	118.5
1191	Q	29.2	Very low	31.2	Very low	146 Å²	146	134.7 Å²	134.7	68%	0.682	70%	0.697	S	S	*	*			cis	75.9	146.2	47.8	-59.4	177.7	6.6	0	0	115.5
1192	H	30.4	Very low	31.4	Very low	121 Å²	121	138 Å²	138	56%	0.56	70%	0.703	S	S	*	*			trans	76	132.7	164.4	-40.3	-53.2	0	0	0	116.2
1193	K	40.7	Very low	31.6	Very low	172 Å²	172	140.3 Å²	140.3	75%	0.748	70%	0.703	S	S	*	*			cis	-140.4	145.2	23.8	-68.7	86.2	-154.5	149.8	0	109.1
1194	N	31.7	Very low	31.7	Very low	132 Å²	132	141 Å²	141	71%	0.706	71%	0.707	S	S	*	*			cis	71.3	111.3	39.7	-176.4	2.5	0	0	0	114
1195	I	33.1	Very low	31.8	Very low	135 Å²	135	139.7 Å²	139.7	69%	0.692	71%	0.707	S	S	*	*			trans	171.4	108.6	135.3	-90.4	154.6	0	0	0	113.1
1196	K	33.1	Very low	32.2	Very low	185 Å²	185	136.4 Å²	136.4	80%	0.804	70%	0.695	S	S	*	*			trans	68.9	162	142.7	-68	-175.8	179.2	-171.7	0	123.3
1197	T	30.5	Very low	32.7	Very low	107 Å²	107	138 Å²	138	66%	0.656	69%	0.689	S	S	*	*			cis	168.9	119.7	-32.2	-82	0	0	0	0	109.1
1198	T	32.4	Very low	33	Very low	129 Å²	129	138.7 Å²	138.7	79%	0.791	69%	0.686	S	S	*	*			trans	171.7	123	135.4	32.1	0	0	0	0	107.1
1199	V	32.2	Very low	33.1	Very low	106 Å²	106	135.6 Å²	135.6	64%	0.642	67%	0.674	S	S	*	*				68.6	112.5	57	178.5	0	0	0	0	109.9
1200	D	32.9	Very low	33.4	Very low	156 Å²	156	134.8 Å²	134.8	83%	0.834	68%	0.675	S	S	*	*				-131.4	178.3	64.6	-89.4	-52.1	0	0	0	116.1
1201	Q	31.1	Very low	33.4	Very low	160 Å²	160	136.2 Å²	136.2	75%	0.748	68%	0.683	S	S	*	*			trans	-125.2	165.6	-176.1	-55	170.5	-105.2	0	0	110.6
1202	F	34	Very low	33.5	Very low	182 Å²	182	136.4 Å²	136.4	80%	0.798	69%	0.688	S	S	*	*			trans	175.1	108.1	142.7	-85.8	-56.4	0	0	0	106.7
1203	E	34.1	Very low	33.6	Very low	141 Å²	141	136.3 Å²	136.3	66%	0.659	70%	0.702	S	S	*	*				97.3	104.1	69.4	-84.4	-178.5	-171.5	0	0	112.4
1204	D	33.8	Very low	33.4	Very low	128 Å²	128	135.5 Å²	135.5	68%	0.684	71%	0.705	S	S	*	*				100.3	136.1	126.4	-56.5	-7.3	0	0	0	123.4
1205	D	34	Very low	33.8	Very low	133 Å²	133	134.1 Å²	134.1	71%	0.711	70%	0.704	S	S	*	*			trans	77.9	139.7	147.2	-62.6	-7	0	0	0	122.8
1206	E	35.3	Very low	33.7	Very low	111 Å²	111	134.5 Å²	134.5	52%	0.519	71%	0.707	S	S	.	*			cis	-169.6	157.5	-20.2	-144.6	173.2	-172	0	0	113.2
1207	Y	40.4	Very low	33.6	Very low	147 Å²	147	133.1 Å²	133.1	58%	0.576	71%	0.709	S	S	*	*			trans	66	127.5	166.6	-47.1	-70.6	0	0	0	121.9	R3	R3-Y1207 CarbonylContact O-C 3.46Å
1208	D	33.5	Very low	33.6	Very low	110 Å²	110	134.9 Å²	134.9	59%	0.588	71%	0.714	S	S	*	*			cis	-164.2	169.6	-2.5	-120.9	-8.1	0	0	0	113.8	G2	G2-D1208 WeakPolarHBondContact CA-O 3.46Å
1209	E	31.4	Very low	33.6	Very low	108 Å²	108	136.6 Å²	136.6	51%	0.505	72%	0.716	S	S	.	*			trans	-134.4	-159.9	160.3	-113	163.6	-151.1	0	0	107.6	M1 G2	M1-E1209 WeakPolarHBondContact CA-OE2 3.33Å; M1-E1209 WeakPolarHBondContact CB-OE2 3.22Å; M1-E1209 VanDerWaalsContact N-CB 3.31Å; M1-E1209 PolarHBondContact N-OE1 2.77Å; M1-E1209 PolarHBondContact N-OE2 3.13Å; G2-E1209 PolarHBondContact N-OE1 3.02Å
1210	T	34.3	Very low	33.5	Very low	110 Å²	110	139.7 Å²	139.7	68%	0.675	72%	0.724	S	S	*	*			trans	90.3	144.3	163.5	74.8	0	0	0	0	116.9
1211	D	32.6	Very low	33.4	Very low	141 Å²	141	140.3 Å²	140.3	75%	0.754	72%	0.722	S	S	*	*			cis	-161.2	171.1	-17.9	-102.3	-12.7	0	0	0	108.8
1212	D	32.3	Very low	33.4	Very low	150 Å²	150	136.5 Å²	136.5	80%	0.802	70%	0.704	S	S	*	*			trans	-45.6	146.8	173.2	-44.2	-54.6	0	0	0	115.8
1213	S	32.8	Very low	33.3	Very low	120 Å²	120	130.9 Å²	130.9	84%	0.839	69%	0.687	S	S	*	*			trans	178.6	133.9	131.2	30.1	0	0	0	0	115.3
1214	D	35.1	Very low	33.3	Very low	155 Å²	155	129.1 Å²	129.1	83%	0.829	68%	0.679	S	S	*	*			trans	-77.3	-174.2	159.9	-29	-93.3	0	0	0	111.3
1215	P	40.9	Very low	33.2	Very low	103 Å²	103	128.8 Å²	128.8	67%	0.669	68%	0.677	S	S	*	*			cis	-132.8	-166.2	-11.3	41.2	-23.8	0	0	0	112.9
1216	D	30.2	Very low	33.1	Very low	142 Å²	142	129.3 Å²	129.3	76%	0.759	68%	0.68	S	S	*	*			trans	41.7	111.5	152.3	-56.1	-19.8	0	0	0	119
1217	N	32.5	Very low	33	Very low	157 Å²	157	130.4 Å²	130.4	84%	0.84	69%	0.685	S	S	*	*				-166	140.3	121.4	-110.7	-92.6	0	0	0	112.2
1218	D	29.5	Very low	33.1	Very low	143 Å²	143	128.5 Å²	128.5	77%	0.765	69%	0.691	S	S	*	*			trans	-59.5	146.6	164.7	-34.7	-69.6	0	0	0	111
1219	I	33.1	Very low	33.1	Very low	165 Å²	165	131.7 Å²	131.7	85%	0.846	70%	0.702	S	S	*	*			trans	-173	146.4	131.4	-98.7	154.8	0	0	0	110.4
1220	E	29.4	Very low	33.1	Very low	171 Å²	171	132.8 Å²	132.8	80%	0.799	71%	0.712	S	S	*	*			trans	-85.2	-169.4	-172.9	-58.3	148.2	140.8	0	0	112.7
1221	E	31.3	Very low	33	Very low	170 Å²	170	133.5 Å²	133.5	79%	0.794	71%	0.711	S	S	*	*			trans	90.4	151.1	156.5	-57.9	-173.7	163.4	0	0	121.7
1222	E	31.6	Very low	33	Very low	79 Å²	79	132.7 Å²	132.7	37%	0.369	71%	0.706	S	S	.	*			cis	-163.6	-118.8	-48.7	-147.9	-168.2	-116.2	0	0	109.7	I1048 Q1049 T1051	I1048-E1222 CarbonylContact C-O 3.57Å; I1048-E1222 WeakPolarHBondContact CG2-O 3.3Å; Q1049-E1222 WeakPolarHBondContact CA-O 3.16Å; Q1049-E1222 WeakPolarHBondContact CB-O 3.4Å; Q1049-E1222 PolarHBondContact N-O 3.11Å; Q1049-E1222 PolarHBondContact NE2-O 2.92Å; Q1049-E1222 CarbonylContact O-C 3.5Å; T1051-E1222 HydrophobicContact CG2-CG 4.32Å; T1051-E1222 WeakPolarHBondContact CG2-OE1 3.37Å
1223	S	31.3	Very low	32.9	Very low	65 Å²	65	132 Å²	132	46%	0.455	70%	0.702	S	S	.	*			trans	-118.6	148.5	-153.2	50.9	0	0	0	0	117.1	I1048 Q1049 N1050	I1048-S1223 VanDerWaalsContact CG2-CA 3.45Å; I1048-S1223 WeakPolarHBondContact CG2-O 3.26Å; Q1049-S1223 WeakPolarHBondContact O-CA 3.47Å; Q1049-S1223 WeakPolarHBondContact O-CB 3.34Å; Q1049-S1223 PolarHBondContact O-N 3.03Å; N1050-S1223 WeakPolarHBondContact O-CB 3.08Å
1224	E	34.7	Very low	32.9	Very low	104 Å²	104	133.7 Å²	133.7	49%	0.486	70%	0.697	S	S	.	*			cis	-163.4	-165.9	-22.4	-166	150.1	-122.6	0	0	108.6	Q1049 N1050	Q1049-E1224 WeakPolarHBondContact CA-OE1 3.28Å; N1050-E1224 PolarHBondContact N-OE1 2.68Å
1225	D	31.7	Very low	32.6	Very low	120 Å²	120	133.4 Å²	133.4	64%	0.642	69%	0.693	S	S	*	*			trans	72.6	177.5	161.2	-63.4	-42.4	0	0	0	119.2
1226	D	31.7	Very low	32.4	Very low	144 Å²	144	133.5 Å²	133.5	77%	0.77	70%	0.697	S	S	*	*			cis	-137.4	157.4	20.7	-90.8	-26.9	0	0	0	110
1227	Q	33.8	Very low	32.7	Very low	134 Å²	134	131.4 Å²	131.4	63%	0.626	69%	0.691	S	S	*	*			cis	-162.7	162.9	-18.6	-83.8	-49.1	-41.8	0	0	108.3
1228	P	41.2	Very low	32.6	Very low	108 Å²	108	130.7 Å²	130.7	70%	0.701	68%	0.682	S	S	*	*			trans	-99.6	-174.3	179	41.1	-36.7	0	0	0	114.1
1229	E	33.5	Very low	32.6	Very low	176 Å²	176	128.9 Å²	128.9	82%	0.822	67%	0.669	S	S	*	*			trans	-170.5	124.9	143.5	-110.5	172.8	-153.9	0	0	111.7
1230	D	32.4	Very low	32.3	Very low	131 Å²	131	123.9 Å²	123.9	70%	0.701	66%	0.659	S	S	*	*			trans	55.4	138.8	131.2	-67.9	15.5	0	0	0	121.9
1231	L	31.2	Very low	32.4	Very low	125 Å²	125	123.1 Å²	123.1	65%	0.654	65%	0.65	S	S	*	*			cis	-168.2	161.5	8.9	-109.9	161.7	0	0	0	110.3
1232	D	32.2	Very low	32.2	Very low	124 Å²	124	121.6 Å²	121.6	66%	0.663	64%	0.643	S	S	*	*			trans	61.2	142.2	152	-63.9	-24	0	0	0	120.9
1233	L	31.4	Very low	31.9	Very low	136 Å²	136	124.8 Å²	124.8	71%	0.712	66%	0.662	S	S	*	*			cis	-171.8	173.3	-18.5	-119.1	174.1	0	0	0	109.3
1234	E	32.7	Very low	31.9	Very low	155 Å²	155	128.2 Å²	128.2	72%	0.724	68%	0.68	S	S	*	*			trans	70	87.9	155.8	-70.4	169.1	-160.2	0	0	121.2
1235	I	29.4	Very low	31.6	Very low	149 Å²	149	130.4 Å²	130.4	76%	0.764	70%	0.695	S	S	*	*				66.8	109.4	118.6	-62.9	162	0	0	0	120.2
1236	S	36.4	Very low	32.2	Very low	105 Å²	105	132 Å²	132	73%	0.734	70%	0.703	S	S	*	*				30.4	164	117.5	-43.1	0	0	0	0	122.8
1237	P	36.5	Very low	32.4	Very low	99 Å²	99	129.7 Å²	129.7	64%	0.643	70%	0.697	S	S	*	*			cis	-138.1	-173.3	-34.6	33.3	-11.9	0	0	0	114.1
1238	E	30.2	Very low	32.2	Very low	141 Å²	141	130 Å²	130	66%	0.659	70%	0.702	S	S	*	*			trans	77.7	144.8	136.7	-110.9	157.2	-167.9	0	0	123.3	F819	F819-E1238 HydrophobicContact CE1-CB 4.43Å; F819-E1238 HydrophobicContact CE1-CG 3.89Å; F819-E1238 HydrophobicContact CE2-CB 3.84Å; F819-E1238 HydrophobicContact CE2-CG 3.89Å; F819-E1238 WeakPolarHBondContact CE2-OE2 3.07Å; F819-E1238 HydrophobicContact CZ-CB 3.44Å; F819-E1238 VanDerWaalsContact CZ-CB 3.44Å; F819-E1238 HydrophobicContact CZ-CG 3.32Å
1239	E	28.8	Very low	32	Very low	105 Å²	105	134.7 Å²	134.7	49%	0.491	71%	0.708	S	S	.	*			trans	68.2	154.6	165.2	-110.3	175.7	-155.8	0	0	124.6	F819 N822	F819-E1239 VanDerWaalsContact CD1-OE1 3.31Å; F819-E1239 WeakPolarHBondContact CD1-OE1 3.34Å; F819-E1239 HydrophobicContact CE1-CB 4.2Å; F819-E1239 HydrophobicContact CE1-CG 3.57Å; F819-E1239 WeakPolarHBondContact CE1-OE1 3.47Å; F819-E1239 HydrophobicContact CZ-CB 3.82Å; F819-E1239 HydrophobicContact CZ-CG 3.73Å; N822-E1239 HydrophobicContact CB-CG 4.45Å; N822-E1239 WeakPolarHBondContact CB-OE1 3.31Å; N822-E1239 PolarHBondContact ND2-OE2 2.89Å
1240	G	27.8	Very low	31.8	Very low	61 Å²	61	131.4 Å²	131.4	63%	0.629	70%	0.704	S	S	*	*			trans	93.4	115.4	168.8	0	0	0	0	0	115.5
1241	Y	29.9	Very low	31.7	Very low	155 Å²	155	131.8 Å²	131.8	61%	0.608	71%	0.706	S	S	*	*			cis	72.3	145.2	39.8	-86	-69.3	0	0	0	117.4
1242	E	27.3	Very low	31.8	Very low	137 Å²	137	137.3 Å²	137.3	64%	0.64	72%	0.718	S	S	*	*			trans	70.1	110.8	163.5	-68.3	157.7	-139.1	0	0	120.3
1243	D	26.9	Very low	31.8	Very low	147 Å²	147	137.9 Å²	137.9	79%	0.786	72%	0.72	S	S	*	*				39.3	133.4	126.1	-47.8	-32.9	0	0	0	122.4
1244	V	30.4	Very low	31.6	Very low	136 Å²	136	140.4 Å²	140.4	82%	0.824	73%	0.728	S	S	*	*			trans	-142	95.9	164	-175.4	0	0	0	0	110.7
1245	D	29.1	Very low	31.6	Very low	150 Å²	150	137.3 Å²	137.3	80%	0.802	73%	0.729	S	S	*	*			trans	-67	128	168.5	-59.3	-68.4	0	0	0	112.7
1246	D	44.5	Very low	31.8	Very low	153 Å²	153	136.9 Å²	136.9	82%	0.818	73%	0.729	S	S	*	*			trans	56.8	-172.1	141.7	-117	6.4	0	0	0	117.7
1247	P	35.8	Very low	31.5	Very low	97 Å²	97	140.3 Å²	140.3	63%	0.63	73%	0.733	S	S	*	*			cis	-124.9	-159.9	-5.4	43.5	-27.5	0	0	0	114.4
1248	D	29.3	Very low	31.2	Very low	139 Å²	139	143.5 Å²	143.5	74%	0.743	74%	0.739	S	S	*	*			trans	81.1	80.1	162.7	-68.3	-9.2	0	0	0	118.5
1249	Y	37.1	Very low	31.4	Very low	208 Å²	208	143.8 Å²	143.8	82%	0.816	75%	0.745	S	S	*	*				-147.4	30.5	123.3	-137.6	-97.6	0	0	0	116.8	D1251	Y1249-D1251 PolarHBondContact O-N 2.77Å
1250	S	27.8	Very low	31.3	Very low	107 Å²	107	144.8 Å²	144.8	75%	0.748	75%	0.753	S	S	*	*			trans	-87.8	79.9	171.4	59.4	0	0	0	0	111.9
1251	D	30.7	Very low	31.6	Very low	138 Å²	138	146.7 Å²	146.7	74%	0.738	76%	0.755	S	S	*	*			trans	-147.7	35.9	178.8	-152.8	25.6	0	0	0	114.6	Y1249	Y1249-D1251 PolarHBondContact O-N 2.77Å
1252	W	34.8	Very low	31.3	Very low	241 Å²	241	145.5 Å²	145.5	91%	0.913	76%	0.759	S	S	*	*			trans	-129.3	70.9	165.1	-81.7	70.6	0	0	0	110.2
1253	I	30.3	Very low	31.3	Very low	136 Å²	136	150.5 Å²	150.5	70%	0.697	77%	0.772	S	S	*	*			trans	-104.1	162	174	-80.2	174.4	0	0	0	109.5
1254	E	29.1	Very low	31.4	Very low	189 Å²	189	147.4 Å²	147.4	88%	0.883	76%	0.76	S	S	*	*			trans	65.8	87.9	168.8	-80.6	164.1	-135.4	0	0	117.2
1255	A	31.9	Very low	31.3	Very low	90 Å²	90	144 Å²	144	74%	0.744	75%	0.752	S	S	*	*			trans	-144.6	117.9	135.2	0	0	0	0	0	110
1256	D	33.1	Very low	31.3	Very low	141 Å²	141	142.7 Å²	142.7	75%	0.754	75%	0.749	S	S	*	*			trans	51.6	104.9	156.1	-48.2	-12.1	0	0	0	117
1257	E	31	Very low	30.6	Very low	177 Å²	177	147 Å²	147	83%	0.827	75%	0.754	S	S	*	*				76.6	149.7	72	-74.4	-168.1	146.9	0	0	114.2
1258	E	30.5	Very low	30.1	Very low	166 Å²	166	151.1 Å²	151.1	78%	0.776	76%	0.762	S	S	*	*			trans	63.6	117.9	164.7	-71.6	-168.2	173	0	0	119.8
1259	L	33	Very low	30	Very low	147 Å²	147	151.4 Å²	151.4	77%	0.77	76%	0.763	S	S	*	*			trans	73.3	147	142.3	-60.4	167.3	0	0	0	117.9
1260	N	27	Very low	29.4	Very low	126 Å²	126	149.4 Å²	149.4	67%	0.674	76%	0.763	S	S	*	*			cis	-165.7	158.6	-28.3	-141	36.1	0	0	0	106.2	N1262	N1260-N1262 VanDerWaalsContact O-O 3.08Å
1261	P	33.6	Very low	29.4	Very low	101 Å²	101	149 Å²	149	66%	0.656	77%	0.766	S	S	*	*	S	Bend	trans	-65.6	161	171.1	27.1	-34.3	0	0	0	112.3
1262	N	25	Very low	29.2	Very low	129 Å²	129	148.7 Å²	148.7	69%	0.69	77%	0.769	S	S	*	*			trans	71.7	129.2	-144.9	-54	-96.8	0	0	0	110.5	N1260	N1260-N1262 VanDerWaalsContact O-O 3.08Å
1263	W	26.6	Very low	28.9	Very low	242 Å²	242	145.6 Å²	145.6	92%	0.917	76%	0.762	S	S	*	*				-134.4	156.8	54	-102.2	61.1	0	0	0	113.6
1264	P	29.3	Very low	28.7	Very low	83 Å²	83	143.7 Å²	143.7	54%	0.539	76%	0.756	S	S	.	*				-123.4	172.5	-113.1	41.5	-33.2	0	0	0	113.3
1265	G	27.7	Very low	28.8	Very low	64 Å²	64	140 Å²	140	66%	0.66	75%	0.747	S	S	*	*			trans	-75.8	-138.2	155.5	0	0	0	0	0	111.5
1266	V	29.2	Very low	28.6	Very low	123 Å²	123	141.7 Å²	141.7	75%	0.745	75%	0.748	S	S	*	*			trans	73	97.2	158.8	-167.9	0	0	0	0	116.6	K1268	V1266-K1268 PolarHBondContact O-N 3.3Å
1267	R	30	Very low	28.4	Very low	244 Å²	244	140.6 Å²	140.6	92%	0.921	75%	0.747	S	S	*	*				35.9	76.9	117.7	-53	177.9	-175.5	-178.6	1	115.6
1268	K	25.4	Very low	28.3	Very low	183 Å²	183	138.5 Å²	138.5	80%	0.796	75%	0.746	S	S	*	*			trans	-97.5	134.4	148.7	-82.9	-176.4	178	162.8	0	107.1	V1266	V1266-K1268 PolarHBondContact O-N 3.3Å
1269	L	26.1	Very low	28.3	Very low	145 Å²	145	135.7 Å²	135.7	76%	0.759	74%	0.743	S	S	*	*	S	Bend	cis	-161.7	142.5	6.5	-96.5	155	0	0	0	104.9
1270	M	25.5	Very low	28.1	Very low	166 Å²	166	132.8 Å²	132.8	82%	0.818	73%	0.734	S	S	*	*			cis	-154.6	141.4	22.7	-59.3	-177.6	-97	0	0	113
1271	A	26.8	Very low	28.3	Very low	98 Å²	98	135.4 Å²	135.4	81%	0.81	74%	0.74	S	S	*	*			trans	60	166.7	153.6	0	0	0	0	0	117
1272	V	27.6	Very low	28.1	Very low	131 Å²	131	134.4 Å²	134.4	79%	0.794	74%	0.735	S	S	*	*			cis	-129.8	133	1.6	174	0	0	0	0	105.4
1273	K	28.6	Very low	28.4	Very low	176 Å²	176	137 Å²	137	77%	0.765	74%	0.741	S	S	*	*			cis	78.4	61.6	40.3	-149.5	-160	-176.1	-159.9	0	115.9	T1275	K1273-T1275 PolarHBondContact O-N 2.98Å
1274	T	26.3	Very low	28.6	Very low	96 Å²	96	130.2 Å²	130.2	59%	0.589	73%	0.73	S	S	*	*			trans	-75.1	111.2	162.6	40.4	0	0	0	0	110.9	L2107	T1274-L2107 WeakPolarHBondContact CG2-O 3.33Å
1275	T	29.5	Very low	28.8	Very low	112 Å²	112	134 Å²	134	69%	0.687	74%	0.74	S	S	*	*			trans	-176.2	97.6	157.6	12.2	0	0	0	0	109.9	K1273	K1273-T1275 PolarHBondContact O-N 2.98Å
1276	T	28.8	Very low	28.9	Very low	126 Å²	126	135.2 Å²	135.2	77%	0.773	74%	0.738	S	S	*	*			trans	37.4	138.5	137.2	-12.4	0	0	0	0	121.1
1277	T	29.2	Very low	29	Very low	117 Å²	117	137.1 Å²	137.1	72%	0.718	74%	0.739	S	S	*	*			trans	99.2	76.8	159	70.9	0	0	0	0	121.6
1278	T	28.1	Very low	29.2	Very low	133 Å²	133	130.4 Å²	130.4	82%	0.816	73%	0.725	S	S	*	*			trans	80.9	170.9	134.2	85.1	0	0	0	0	117.9
1279	P	31.1	Very low	29.3	Very low	108 Å²	108	127 Å²	127	70%	0.701	72%	0.72	S	S	*	*				-137.5	158.1	-96.5	36.8	-17	0	0	0	115.5
1280	S	28.4	Very low	29.7	Very low	85 Å²	85	126.1 Å²	126.1	59%	0.594	72%	0.716	S	S	*	*			trans	153.9	125	134.5	-82.5	0	0	0	0	115.3
1281	K	30.6	Very low	29.9	Very low	181 Å²	181	125.7 Å²	125.7	79%	0.787	71%	0.712	S	S	*	*			trans	70.8	138.1	142.8	-59	167.8	-164.9	85.3	0	117.2
1282	S	30.7	Very low	30.2	Very low	81 Å²	81	128.8 Å²	128.8	57%	0.566	71%	0.71	S	S	*	*			cis	-177.3	147.8	-8.3	53.8	0	0	0	0	111.5
1283	K	30.6	Very low	30.4	Very low	183 Å²	183	127 Å²	127	80%	0.796	70%	0.699	S	S	*	*			trans	73	146.3	164.4	-59.3	155	-177.8	171.6	0	113.2
1284	S	31.2	Very low	30.5	Very low	99 Å²	99	126.9 Å²	126.9	69%	0.692	70%	0.699	S	S	*	*			cis	-177	155	2.9	34.1	0	0	0	0	108.7
1285	H	32.5	Very low	30.9	Very low	162 Å²	162	127.8 Å²	127.8	75%	0.75	70%	0.7	S	S	*	*			cis	-165.3	160.6	3.1	-123.7	-67.7	0	0	0	108.9
1286	S	31.1	Very low	31	Very low	90 Å²	90	130.4 Å²	130.4	63%	0.629	70%	0.702	S	S	*	*			trans	66.8	142.6	152.5	44.6	0	0	0	0	118.4
1287	E	31.4	Very low	31.1	Very low	163 Å²	163	133 Å²	133	76%	0.762	70%	0.702	S	S	*	*			cis	-150.4	114.2	-5.4	-117.2	151.1	-156	0	0	109.9
1288	T	33.1	Very low	31.1	Very low	103 Å²	103	132.9 Å²	132.9	63%	0.632	70%	0.701	S	S	*	*				66.5	111.7	110.7	63.9	0	0	0	0	114.8
1289	T	27.9	Very low	31.3	Very low	111 Å²	111	130.7 Å²	130.7	68%	0.681	69%	0.692	S	S	*	*				43	127.5	82.6	72.9	0	0	0	0	113.8
1290	N	35.2	Very low	31.2	Very low	127 Å²	127	129 Å²	129	68%	0.679	68%	0.682	S	S	*	*				173.3	146.3	110.1	-90.2	-53.8	0	0	0	112.1
1291	E	30.1	Very low	31.4	Very low	157 Å²	157	132.7 Å²	132.7	73%	0.734	69%	0.688	S	S	*	*			trans	7.6	126.1	134	-47.3	179.2	137.8	0	0	117.1
1292	H	33.2	Very low	31.4	Very low	163 Å²	163	129.6 Å²	129.6	76%	0.755	68%	0.684	S	S	*	*				72	116.4	127.4	-81	14.8	0	0	0	120
1293	T	30.3	Very low	31.4	Very low	95 Å²	95	129.6 Å²	129.6	58%	0.583	69%	0.689	S	S	*	*			trans	89.5	104	130	66	0	0	0	0	121.2
1294	K	32	Very low	31.5	Very low	172 Å²	172	126.3 Å²	126.3	75%	0.748	68%	0.684	S	S	*	*				73.7	131.1	123.9	-60.6	168.5	174.8	63.5	0	117.7
1295	N	33.6	Very low	31.6	Very low	116 Å²	116	128.5 Å²	128.5	62%	0.62	69%	0.688	S	S	*	*			trans	96.6	95.9	154.4	-59.9	-77.6	0	0	0	117.8
1296	K	32.4	Very low	31.7	Very low	166 Å²	166	126.8 Å²	126.8	72%	0.722	69%	0.689	S	S	*	*				77.1	132.6	110.9	-76.5	173.7	-179.2	58.3	0	118.2
1297	K	30.4	Very low	31.9	Very low	180 Å²	180	130.4 Å²	130.4	78%	0.783	69%	0.693	S	S	*	*			trans	84.9	119.4	130.5	-84.4	-177.2	168.3	-167.7	0	117.8
1298	V	29.6	Very low	31.9	Very low	115 Å²	115	127.6 Å²	127.6	70%	0.697	69%	0.687	S	S	*	*				66.7	107.6	128.4	-179.7	0	0	0	0	113.2
1299	S	33	Very low	32	Very low	88 Å²	88	130 Å²	130	62%	0.615	70%	0.695	S	S	*	*				-159.6	124.9	67.4	-143.1	0	0	0	0	109.7
1300	S	28.7	Very low	32	Very low	71 Å²	71	128.3 Å²	128.3	50%	0.497	69%	0.688	S	S	.	*				45.7	120.1	59.6	92.7	0	0	0	0	113.2
1301	K	31.8	Very low	31.8	Very low	164 Å²	164	131 Å²	131	71%	0.713	69%	0.693	S	S	*	*			trans	69	147.6	-177.3	-35.3	160.7	-162.2	74.6	0	112
1302	T	30.8	Very low	32	Very low	116 Å²	116	128.9 Å²	128.9	71%	0.712	69%	0.691	S	S	*	*			cis	-152	117.5	10.6	-15.7	0	0	0	0	105.4
1303	A	31.7	Very low	31.9	Very low	81 Å²	81	127 Å²	127	67%	0.669	69%	0.694	S	S	*	*				35.6	128.8	86.9	0	0	0	0	0	114.2
1304	T	31.9	Very low	31.8	Very low	114 Å²	114	127 Å²	127	70%	0.699	70%	0.697	S	S	*	*				-179.5	118.3	112.9	24.1	0	0	0	0	114.9
1305	N	33.9	Very low	31.7	Very low	144 Å²	144	123.5 Å²	123.5	77%	0.77	69%	0.694	S	S	*	*			trans	66.2	144.9	159.7	-39.9	-59.6	0	0	0	115.2
1306	V	33.7	Very low	31.5	Very low	126 Å²	126	127 Å²	127	76%	0.764	70%	0.704	S	S	*	*			cis	-143.4	101.5	31.3	170.5	0	0	0	0	107.8
1307	K	35.8	Very low	31.4	Very low	167 Å²	167	126.9 Å²	126.9	73%	0.726	71%	0.71	S	S	*	*				83.7	103.2	79.7	173.7	-149.1	173.4	-162.9	0	113.8
1308	T	30.4	Very low	31.3	Very low	104 Å²	104	122.5 Å²	122.5	64%	0.638	70%	0.703	S	S	*	*			trans	64	120.5	139.2	-37	0	0	0	0	115.6	S1310	T1308-S1310 WeakPolarHBondContact CG2-OG 3.12Å
1309	I	35.4	Very low	31.3	Very low	153 Å²	153	125 Å²	125	79%	0.785	71%	0.707	S	S	*	*				-150.4	127.9	65.3	-73.8	163.5	0	0	0	106.4
1310	S	28.4	Very low	31.3	Very low	76 Å²	76	127.5 Å²	127.5	53%	0.531	71%	0.713	S	S	.	*			cis	73.9	114.7	27.5	88.3	0	0	0	0	115.8	T1308	T1308-S1310 WeakPolarHBondContact CG2-OG 3.12Å
1311	K	31.7	Very low	31.4	Very low	183 Å²	183	128.9 Å²	128.9	80%	0.796	72%	0.723	S	S	*	*			trans	109.1	124.7	179.8	-67.6	162.4	-177.2	-171.1	0	111.9
1312	T	34.3	Very low	31.4	Very low	112 Å²	112	129.1 Å²	129.1	69%	0.687	72%	0.724	S	S	*	*			cis	60.6	104.9	8.9	2.8	0	0	0	0	116.4
1313	P	30.9	Very low	31.3	Very low	125 Å²	125	129.6 Å²	129.6	81%	0.812	73%	0.727	S	S	*	*			trans	-112.2	108.5	137	32.4	-20	0	0	0	108
1314	S	27.7	Very low	31.4	Very low	93 Å²	93	133.5 Å²	133.5	65%	0.65	73%	0.729	S	S	*	*			cis	50.6	71.6	21.6	-157.1	0	0	0	0	113
1315	S	30	Very low	31.5	Very low	99 Å²	99	136.1 Å²	136.1	69%	0.692	73%	0.733	S	S	*	*				-177.8	121.4	108.9	62.5	0	0	0	0	115.4
1316	K	28.8	Very low	31.3	Very low	189 Å²	189	133.9 Å²	133.9	82%	0.822	73%	0.729	S	S	*	*				47	113.6	122.2	-52.3	179.1	-177.1	-163	0	118.4
1317	L	29.8	Very low	31.3	Very low	164 Å²	164	132.8 Å²	132.8	86%	0.859	71%	0.714	S	S	*	*				-172.2	98.6	124.7	-87.6	141	0	0	0	105
1318	S	29.9	Very low	31	Very low	89 Å²	89	128.4 Å²	128.4	62%	0.622	70%	0.698	S	S	*	*				67.1	129.9	75.8	76.6	0	0	0	0	115.3
1319	E	29.3	Very low	31.1	Very low	168 Å²	168	129.1 Å²	129.1	79%	0.785	69%	0.692	S	S	*	*			trans	70.6	97.1	159.3	-64.5	-179.5	-179.9	0	0	117.7
1320	N	31.7	Very low	31	Very low	139 Å²	139	127.6 Å²	127.6	74%	0.743	69%	0.692	S	S	*	*			trans	70.1	127.1	135.6	-48.5	-49.2	0	0	0	120.8
1321	S	31.1	Very low	31.1	Very low	101 Å²	101	129.3 Å²	129.3	71%	0.706	70%	0.704	S	S	*	*				79.6	116.1	126.5	69.6	0	0	0	0	121.1
1322	K	31.8	Very low	31.2	Very low	169 Å²	169	125.6 Å²	125.6	74%	0.735	70%	0.702	S	S	*	*			trans	81.7	143.4	135.1	-68.4	-172.2	-179.7	-55.1	0	121.3
1323	T	29.9	Very low	31.1	Very low	126 Å²	126	126 Å²	126	77%	0.773	70%	0.704	S	S	*	*			trans	83.3	86.9	152.2	31.7	0	0	0	0	119.5
1324	K	32.8	Very low	31.2	Very low	162 Å²	162	128.5 Å²	128.5	70%	0.704	71%	0.705	S	S	*	*				67.4	131.9	116.3	-73.5	-158.1	-179.4	-67.9	0	120.5
1325	Q	33.2	Very low	31.4	Very low	170 Å²	170	131.7 Å²	131.7	79%	0.794	71%	0.709	S	S	*	*			trans	83.9	115.1	143.6	-72	166.9	-22.9	0	0	119.7
1326	S	31.3	Very low	31.5	Very low	97 Å²	97	133.6 Å²	133.6	68%	0.678	71%	0.707	S	S	*	*				88.6	106.8	126	72.6	0	0	0	0	123.1
1327	K	32.2	Very low	31.5	Very low	103 Å²	103	132.2 Å²	132.2	45%	0.448	70%	0.703	S	S	.	*				93	144.4	111.1	-57.5	-175.9	148.6	-61.8	0	123.7	D1147 Y1148 D1149	D1147-K1327 HydrophobicContact CB-CB 3.33Å; D1147-K1327 HydrophobicContact CB-CD 4.24Å; D1147-K1327 HydrophobicContact CB-CG 4.38Å; D1147-K1327 VanDerWaalsContact O-CD 3.22Å; D1147-K1327 WeakPolarHBondContact O-CD 3.1Å; D1147-K1327 WeakPolarHBondContact O-CE 3.32Å; D1147-K1327 PolarHBondContact O-NZ 2.75Å; Y1148-K1327 WeakPolarHBondContact O-CA 3.25Å; Y1148-K1327 WeakPolarHBondContact O-CB 3.39Å; Y1148-K1327 WeakPolarHBondContact O-CG 3.4Å; Y1148-K1327 PolarHBondContact O-NZ 3.49Å; D1149-K1327 VanDerWaalsContact OD2-CA 3.23Å; D1149-K1327 WeakPolarHBondContact OD2-CA 3.38Å
1328	D	31.4	Very low	31.5	Very low	74 Å²	74	130.2 Å²	130.2	40%	0.396	69%	0.693	S	S	.	*			trans	65.1	110.7	175.2	-117.8	15.2	0	0	0	123.2	D1147 Y1148 D1149	D1147-D1328 VanDerWaalsContact CA-CG 3.46Å; D1147-D1328 HydrophobicContact CB-CB 3.49Å; D1147-D1328 VanDerWaalsContact CB-CB 3.49Å; Y1148-D1328 WeakPolarHBondContact CB-OD1 3.4Å; Y1148-D1328 PolarHBondContact N-OD1 3.39Å; Y1148-D1328 PolarHBondContact O-N 2.65Å; D1149-D1328 PolarHBondContact OD1-N 2.75Å; D1149-D1328 PolarHBondContact OD2-N 3.43Å; D1149-D1328 VanDerWaalsContact OD2-N 3.13Å
1329	K	32.2	Very low	31.3	Very low	120 Å²	120	133 Å²	133	52%	0.522	70%	0.697	S	S	.	*				19.9	126.3	101.6	-124.8	162.5	-166.5	152.4	0	117.5	Y1148	Y1148-K1329 HydrophobicContact CD1-CB 4.46Å; Y1148-K1329 HydrophobicContact CD1-CD 3.64Å; Y1148-K1329 HydrophobicContact CD1-CG 4.35Å; Y1148-K1329 HydrophobicContact CD2-CD 4.47Å; Y1148-K1329 HydrophobicContact CE1-CD 4.09Å; Y1148-K1329 VanDerWaalsContact CE1-NZ 3.28Å; Y1148-K1329 HydrophobicContact CG-CD 3.84Å; Y1148-K1329 PolarHBondContact OH-NZ 2.83Å
1330	P	32.2	Very low	31.3	Very low	121 Å²	121	131 Å²	131	79%	0.786	70%	0.698	S	S	*	*			trans	-145.3	133.2	133.8	35	-20	0	0	0	114.4
1331	S	31.6	Very low	31	Very low	112 Å²	112	128.3 Å²	128.3	78%	0.783	68%	0.684	S	S	*	*			trans	-69.6	144.2	179.4	59.7	0	0	0	0	114.9
1332	S	32.6	Very low	30.9	Very low	105 Å²	105	130.8 Å²	130.8	73%	0.734	68%	0.682	S	S	*	*			trans	67.7	157.9	168.1	85.1	0	0	0	0	116.6
1333	T	31.9	Very low	30.8	Very low	121 Å²	121	128.6 Å²	128.6	74%	0.742	68%	0.678	S	S	*	*			cis	-165.9	154.7	47.2	-33.6	0	0	0	0	111.8
1334	H	33.5	Very low	30.7	Very low	177 Å²	177	130.7 Å²	130.7	82%	0.819	68%	0.676	S	S	*	*			trans	-41.6	141.1	177	-35.6	-85.8	0	0	0	116
1335	H	32.7	Very low	30.5	Very low	159 Å²	159	127.6 Å²	127.6	74%	0.736	67%	0.674	S	S	*	*				-162.7	127.1	130	-118.5	41.3	0	0	0	118.2
1336	Q	30.8	Very low	30.4	Very low	140 Å²	140	124.6 Å²	124.6	65%	0.654	67%	0.672	S	S	*	*			trans	72.5	104	140.8	-78.3	-178.7	26.3	0	0	121.1
1337	Q	30.4	Very low	30.4	Very low	159 Å²	159	124.4 Å²	124.4	74%	0.743	67%	0.667	S	S	*	*				59.1	117.8	105.1	-74.1	-175.9	-5	0	0	119.8
1338	N	28.2	Very low	30.4	Very low	123 Å²	123	127 Å²	127	66%	0.658	69%	0.685	S	S	*	*			trans	67.4	113.8	140	-71.2	-77.8	0	0	0	119.3
1339	Q	26.9	Very low	30.4	Very low	147 Å²	147	127.5 Å²	127.5	69%	0.687	70%	0.7	S	S	*	*			trans	64.1	132.3	131.2	-64.3	-174.7	4.6	0	0	117.8	D1341	Q1339-D1341 HydrophobicContact CB-CB 4.13Å; Q1339-D1341 HydrophobicContact CG-CB 4.21Å
1340	P	28.2	Very low	30.2	Very low	127 Å²	127	126.9 Å²	126.9	83%	0.825	71%	0.71	S	S	*	*			cis	-104.1	134.4	49.9	-10.2	31.2	0	0	0	113
1341	D	26.4	Very low	30.2	Very low	82 Å²	82	124.2 Å²	124.2	44%	0.439	70%	0.695	S	S	.	*				55.1	119.7	52.8	-166.3	45.7	0	0	0	111.7	Q1339	Q1339-D1341 HydrophobicContact CB-CB 4.13Å; Q1339-D1341 HydrophobicContact CG-CB 4.21Å
1342	K	30.1	Very low	30.3	Very low	153 Å²	153	127.3 Å²	127.3	67%	0.665	69%	0.694	S	S	*	*			trans	75.3	124.2	154.8	-79.5	179.3	-168.4	67.8	0	117.2
1343	L	28.1	Very low	30.3	Very low	123 Å²	123	129.5 Å²	129.5	64%	0.644	69%	0.692	S	S	*	*			cis	-168.3	148.8	20.6	-101.4	170.7	0	0	0	113.8
1344	K	28.7	Very low	30.3	Very low	170 Å²	170	128.1 Å²	128.1	74%	0.739	68%	0.684	S	S	*	*			trans	77.8	142.1	137	-74.3	167.1	-178.7	175.9	0	119.3
1345	S	29	Very low	30.2	Very low	96 Å²	96	127.8 Å²	127.8	67%	0.671	68%	0.683	S	S	*	*			cis	-178.9	159.2	-8.3	47.6	0	0	0	0	109
1346	S	31.1	Very low	30.1	Very low	107 Å²	107	126 Å²	126	75%	0.748	68%	0.679	S	S	*	*	S	Bend		168.1	137.6	81.5	172	0	0	0	0	111.1
1347	T	30.3	Very low	30.1	Very low	94 Å²	94	126.9 Å²	126.9	58%	0.577	68%	0.682	S	S	*	*			cis	-168.3	117.2	0.6	-93.4	0	0	0	0	111.1
1348	L	32.3	Very low	30.2	Very low	158 Å²	158	126.7 Å²	126.7	83%	0.827	68%	0.681	S	S	*	*			trans	65.3	161.3	144.3	-78.9	57.3	0	0	0	116.7
1349	A	30.5	Very low	30.4	Very low	84 Å²	84	124.3 Å²	124.3	69%	0.694	67%	0.674	S	S	*	*			cis	-154.4	126.7	30.1	0	0	0	0	0	116.4
1350	S	29.4	Very low	30.9	Very low	106 Å²	106	124.2 Å²	124.2	74%	0.741	67%	0.672	S	S	*	*				49.7	134.2	123.8	-123	0	0	0	0	118.5
1351	S	31.4	Very low	31	Very low	66 Å²	66	127.4 Å²	127.4	46%	0.462	67%	0.672	S	S	.	*				169.7	143.5	52.2	-139.3	0	0	0	0	114
1352	K	33.6	Very low	31.3	Very low	177 Å²	177	127.6 Å²	127.6	77%	0.77	69%	0.685	S	S	*	*			trans	71.1	166.5	158.8	-36.4	129.5	-165.6	140.7	0	114.9
1353	H	33.6	Very low	31.5	Very low	150 Å²	150	124.5 Å²	124.5	69%	0.694	69%	0.688	S	S	*	*			cis	-151.2	134.9	1.8	-142.4	-66.1	0	0	0	111.4
1354	T	30.3	Very low	31.7	Very low	92 Å²	92	127.1 Å²	127.1	56%	0.564	70%	0.697	S	S	*	*			trans	54.4	134	150.8	37	0	0	0	0	122.7
1355	E	31.9	Very low	31.7	Very low	170 Å²	170	127.6 Å²	127.6	79%	0.794	70%	0.699	S	S	*	*			trans	77.8	137.4	134.8	-72.6	166.5	-141.2	0	0	118.8
1356	D	30.5	Very low	31.7	Very low	123 Å²	123	128.7 Å²	128.7	66%	0.658	70%	0.702	S	S	*	*			cis	-154.7	149.8	-20.1	-145.6	4.9	0	0	0	112.4
1357	H	30.5	Very low	31.9	Very low	157 Å²	157	130 Å²	130	73%	0.727	71%	0.705	S	S	*	*			trans	-43.2	153.4	169.7	-48.7	-77.1	0	0	0	114.3
1358	H	32.7	Very low	32	Very low	156 Å²	156	131.3 Å²	131.3	72%	0.722	72%	0.715	S	S	*	*				176.1	140.9	118.7	-93	20.7	0	0	0	114
1359	S	33.2	Very low	31.9	Very low	73 Å²	73	128.9 Å²	128.9	51%	0.51	71%	0.711	S	S	.	*			cis	173.5	155	-5.9	50.9	0	0	0	0	116.9
1360	K	36.8	Very low	32.2	Very low	145 Å²	145	133.6 Å²	133.6	63%	0.63	72%	0.719	S	S	*	*			trans	86.9	112.1	145.2	-64.6	136.1	-159.8	144.5	0	121.5
1361	K	31.5	Very low	32.7	Very low	194 Å²	194	133.9 Å²	133.9	84%	0.843	71%	0.712	S	S	*	*				75.5	149.5	123.2	-67.8	175.2	-176.1	175.9	0	118.9
1362	A	32.1	Very low	32.9	Very low	85 Å²	85	138.3 Å²	138.3	70%	0.702	72%	0.723	S	S	*	*			cis	-167.4	130.1	-6.4	0	0	0	0	0	109
1363	A	33.9	Very low	32.8	Very low	89 Å²	89	136.2 Å²	136.2	74%	0.736	72%	0.72	S	S	*	*				69.2	130.9	83.6	0	0	0	0	0	118.2
1364	H	32	Very low	32.6	Very low	177 Å²	177	137.6 Å²	137.6	82%	0.819	72%	0.723	S	S	*	*			trans	94.7	125	154.4	-69.1	-29.4	0	0	0	122.8
1365	K	29.5	Very low	32.5	Very low	180 Å²	180	139 Å²	139	78%	0.783	73%	0.733	S	S	*	*			trans	85.4	118.8	138.5	-75.5	177.1	177.4	-176.6	0	119.9
1366	T	28.3	Very low	32.5	Very low	120 Å²	120	136 Å²	136	74%	0.736	73%	0.727	S	S	*	*				79.4	105.6	75.7	-51.6	0	0	0	0	115.5
1367	V	36.4	Very low	32.6	Very low	135 Å²	135	136.1 Å²	136.1	82%	0.818	73%	0.733	S	S	*	*			trans	0.4	121.7	146.4	-175	0	0	0	0	115.7
1368	P	31.4	Very low	32.7	Very low	121 Å²	121	133.1 Å²	133.1	79%	0.786	73%	0.725	S	S	*	*				-161.5	-162.7	94.9	44.1	-23	0	0	0	116.5
1369	S	30.7	Very low	32.5	Very low	106 Å²	106	129.3 Å²	129.3	74%	0.741	71%	0.713	S	S	*	*			trans	-87.2	164.3	-179.1	-34.3	0	0	0	0	116.4
1370	Q	36.3	Very low	32.4	Very low	183 Å²	183	130.3 Å²	130.3	86%	0.855	71%	0.713	S	S	*	*			trans	86.2	142.8	158.9	-55.8	-177.4	13.9	0	0	121
1371	D	41.3	Very low	31.9	Very low	113 Å²	113	126 Å²	126	60%	0.604	70%	0.699	S	S	*	*			trans	85.2	103.1	141.6	-105	14.1	0	0	0	123.9
1372	K	35.5	Very low	31.7	Very low	158 Å²	158	121.9 Å²	121.9	69%	0.687	69%	0.686	S	S	*	*				78.8	123.8	127.7	-72.2	175.1	179.4	79.1	0	122.9
1373	L	29.8	Very low	31.5	Very low	134 Å²	134	121 Å²	121	70%	0.702	67%	0.674	S	S	*	*			trans	94.9	105.6	135	-106	79.7	0	0	0	121.4
1374	K	29.9	Very low	31.1	Very low	178 Å²	178	125.8 Å²	125.8	77%	0.774	68%	0.679	S	S	*	*			trans	73.3	130.4	150.8	-54.9	174.2	-178.8	169.4	0	117.7
1375	T	28.2	Very low	30.7	Very low	123 Å²	123	122.9 Å²	122.9	76%	0.755	68%	0.678	S	S	*	*	S	Bend	cis	-167.6	144.8	-8.4	22.8	0	0	0	0	109.2
1376	P	33.1	Very low	30.6	Very low	105 Å²	105	119.3 Å²	119.3	68%	0.682	68%	0.676	S	S	*	*			cis	-142.3	169	-35.3	40	-23.8	0	0	0	114.3
1377	V	32.4	Very low	30.6	Very low	127 Å²	127	119 Å²	119	77%	0.77	67%	0.674	S	S	*	*			trans	68.9	128.1	149.1	162.5	0	0	0	0	116.8
1378	T	31.8	Very low	30.3	Very low	94 Å²	94	119.3 Å²	119.3	58%	0.577	67%	0.666	S	S	*	*			cis	-166.6	123.8	-9.7	28.8	0	0	0	0	106.4
1379	T	29.3	Very low	30.4	Very low	76 Å²	76	122.4 Å²	122.4	47%	0.466	67%	0.668	S	S	.	*				74.2	141.8	66.1	69.9	0	0	0	0	118.2
1380	N	29.8	Very low	30.6	Very low	93 Å²	93	120.1 Å²	120.1	50%	0.497	65%	0.65	S	S	.	*			trans	98.8	112.6	135.5	-93.2	47.2	0	0	0	121.3	K2040	N1380-K2040 VanDerWaalsContact O-CD 3.26Å; N1380-K2040 WeakPolarHBondContact O-CD 3.38Å; N1380-K2040 WeakPolarHBondContact O-CE 2.99Å; N1380-K2040 VanDerWaalsContact O-CG 3.28Å; N1380-K2040 WeakPolarHBondContact O-CG 3.2Å; N1380-K2040 PolarHBondContact O-NZ 3.36Å
1381	T	26.6	Very low	30.4	Very low	55 Å²	55	120.1 Å²	120.1	34%	0.337	65%	0.647	S	S	.	*				41.8	132.4	110.7	73.9	0	0	0	0	121.1	K2040	T1381-K2040 WeakPolarHBondContact O-CD 3.07Å
1382	N	27.9	Very low	30.1	Very low	107 Å²	107	118.8 Å²	118.8	57%	0.572	65%	0.645	S	S	*	*			trans	149.3	123.6	138.2	-82.3	26.3	0	0	0	107.1
1383	S	27.8	Very low	30.2	Very low	66 Å²	66	115 Å²	115	46%	0.462	64%	0.643	S	S	.	*			cis	87.6	110.3	33.5	83	0	0	0	0	112.1
1384	K	25.4	Very low	30.4	Very low	191 Å²	191	118.9 Å²	118.9	83%	0.83	65%	0.648	S	S	*	*	S	Bend	trans	66.9	119.7	169.3	-45.7	-173.5	-178.9	-129.7	0	115.6
1385	S	24.3	Very low	30.4	Very low	116 Å²	116	116.9 Å²	116.9	81%	0.811	65%	0.645	S	S	*	*	S	Bend	trans	55.8	121.5	157.4	65.8	0	0	0	0	118.3
1386	S	26.3	Very low	30.6	Very low	104 Å²	104	116.7 Å²	116.7	73%	0.727	64%	0.638	S	S	*	*			trans	71.6	119.2	156.7	-171.2	0	0	0	0	118.9
1387	T	28.7	Very low	30.8	Very low	114 Å²	114	114.8 Å²	114.8	70%	0.699	64%	0.637	S	S	*	*			trans	77.3	113.5	147	47.5	0	0	0	0	123.3
1388	Q	29.8	Very low	31.4	Very low	141 Å²	141	115.3 Å²	115.3	66%	0.659	64%	0.636	S	S	*	*			trans	95.2	123.2	139.6	-65.6	-179.7	2.6	0	0	123.6	K2002	Q1388-K2002 PolarHBondContact OE1-O 2.89Å
1389	K	33.7	Very low	32.1	Very low	187 Å²	187	115.7 Å²	115.7	81%	0.813	63%	0.633	S	S	*	*			trans	-29.3	170.4	167.8	-93.6	-174.3	172.8	-179.8	0	121.3
1390	P	34.9	Very low	33.2	Very low	58 Å²	58	114.1 Å²	114.1	38%	0.377	62%	0.622	S	S	.	*			cis	-140.6	-168.6	9.6	22.2	6.9	0	0	0	120	S2038 L2039	P1390-S2038 CarbonylContact O-C 3.58Å; P1390-S2038 WeakPolarHBondContact O-CA 3.22Å; P1390-L2039 PolarHBondContact O-N 3.14Å
1391	K	31.9	Very low	34.5	Very low	182 Å²	182	112 Å²	112	79%	0.791	61%	0.611	S	S	*	*			trans	-83.8	-126.6	-167.9	-163	-172	-178.9	179.8	0	118	S2038	K1391-S2038 PolarHBondContact O-OG 2.94Å
1392	P	36	Very low	36	Very low	86 Å²	86	111.3 Å²	111.3	56%	0.558	60%	0.603	S	S	*	*			trans	-121.2	-173.1	-137.3	44.2	-28.1	0	0	0	118.7	S2036	P1392-S2036 WeakPolarHBondContact O-CB 3.45Å; P1392-S2036 PolarHBondContact O-OG 2.82Å
1393	A	36.5	Very low	37.5	Very low	77 Å²	77	108.1 Å²	108.1	64%	0.636	59%	0.586	S	S	*	*			trans	-172.9	105	150.6	0	0	0	0	0	119.2
1394	R	33.5	Very low	38.8	Very low	216 Å²	216	108.2 Å²	108.2	82%	0.815	59%	0.587	S	S	*	*			trans	18.1	134.3	148.1	-105.7	173.4	166.4	-177.9	0.9	126	I1396	R1394-I1396 HydrophobicContact CB-CD1 4.47Å; R1394-I1396 HydrophobicContact CB-CG1 4.35Å; R1394-I1396 HydrophobicContact CG-CD1 4.25Å; R1394-I1396 HydrophobicContact CG-CG1 3.9Å
1395	I	31	Very low	40.6	Very low	137 Å²	137	101 Å²	101	70%	0.703	56%	0.557	S	S	*	*			trans	-151.6	117.6	136.8	-60.4	179.2	0	0	0	101.6
1396	I	32.7	Very low	42.5	Very low	118 Å²	118	98 Å²	98	61%	0.605	55%	0.545	S	S	*	.			cis	66.8	83	40.8	-42.8	176.8	0	0	0	114.3	R1394	R1394-I1396 HydrophobicContact CB-CD1 4.47Å; R1394-I1396 HydrophobicContact CB-CG1 4.35Å; R1394-I1396 HydrophobicContact CG-CD1 4.25Å; R1394-I1396 HydrophobicContact CG-CG1 3.9Å
1397	G	36.6	Very low	44.2	Very low	66 Å²	66	95.4 Å²	95.4	68%	0.68	52%	0.522	S	S	*	.				-104.1	175.1	118.4	0	0	0	0	0	108	I1399	G1397-I1399 PolarHBondContact O-N 2.77Å
1398	N	44.7	Very low	46	Very low	137 Å²	137	90.9 Å²	90.9	73%	0.733	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-63.4	122.4	166.1	-64.7	33.3	0	0	0	107.8	N1400	N1398-N1400 WeakPolarHBondContact CB-OD1 3.42Å; N1398-N1400 PolarHBondContact ND2-OD1 3.16Å; N1398-N1400 VanDerWaalsContact ND2-OD1 3.11Å
1399	I	48	Very low	47.5	Very low	102 Å²	102	86 Å²	86	52%	0.523	47%	0.473	S	S	.	.	P	Polyproline II helix		-75.9	129.7	122.3	-81.6	160.7	0	0	0	102.9	G1397 D1401 P1408	G1397-I1399 PolarHBondContact O-N 2.77Å; I1399-D1401 HydrophobicContact CG2-CB 3.67Å; I1399-P1408 HydrophobicContact CD1-CG 4.34Å; I1399-P1408 HydrophobicContact CG1-CB 4.4Å; I1399-P1408 HydrophobicContact CG1-CG 4.28Å; I1399-P1408 HydrophobicContact CG2-CB 3.79Å; I1399-P1408 HydrophobicContact CG2-CG 3.94Å
1400	N	50.3	Low	48.9	Very low	43 Å²	43	83.4 Å²	83.4	23%	0.23	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-89.3	156.1	154.7	-74.2	14.5	0	0	0	105.9	N1398 P1408 D1409	N1398-N1400 WeakPolarHBondContact CB-OD1 3.42Å; N1398-N1400 PolarHBondContact ND2-OD1 3.16Å; N1398-N1400 VanDerWaalsContact ND2-OD1 3.11Å; N1400-P1408 CarbonylContact O-C 3.55Å; N1400-P1408 VanDerWaalsContact O-CA 3.24Å; N1400-P1408 WeakPolarHBondContact O-CA 3.25Å; N1400-D1409 HydrophobicContact CB-CB 4.25Å; N1400-D1409 WeakPolarHBondContact CB-OD1 3.46Å; N1400-D1409 WeakPolarHBondContact CB-OD2 3.45Å; N1400-D1409 PolarHBondContact ND2-OD2 3.03Å; N1400-D1409 PolarHBondContact O-N 3.09Å
1401	D	57.2	Low	50.6	Low	49 Å²	49	86.4 Å²	86.4	26%	0.262	48%	0.48	S	S	.	.			trans	168.1	63.7	-137.2	153.3	32.7	0	0	0	100.7	I1399 C1404 D1409 C1461	I1399-D1401 HydrophobicContact CG2-CB 3.67Å; D1401-C1404 WeakPolarHBondContact OD1-CA 3.32Å; D1401-D1409 PolarHBondContact N-OD1 2.74Å; D1401-C1461 WeakPolarHBondContact O-CB 3.27Å
1402	H	59.9	Low	52.1	Low	40 Å²	40	78.8 Å²	78.8	19%	0.185	45%	0.448	C	S	.	.	S	Bend	trans	-74.9	-57.9	-161	-79	86.9	0	0	0	110.9	C1404 D1409 I1415 C1461	H1402-C1404 PolarHBondContact O-N 2.88Å; H1402-D1409 IonicContact CE1-OD1 3.24Å; H1402-D1409 IonicContact CE1-OD2 2.47Å; H1402-D1409 PolarHBondContact CE1-OD2 3.4Å; H1402-D1409 IonicContact CG-OD1 2.06Å; H1402-D1409 VanDerWaalsContact ND1-CG 3.26Å; H1402-D1409 IonicContact ND1-OD1 2.74Å; H1402-D1409 PolarHBondContact ND1-OD1 2.73Å; H1402-D1409 IonicContact ND1-OD2 3.81Å; H1402-D1409 PolarHBondContact ND1-OD2 2.87Å; H1402-I1415 HydrophobicContact CB-CG2 3.76Å; H1402-I1415 WeakPolarHBondContact CB-O 3.39Å; H1402-I1415 WeakPolarHBondContact ND1-CG2 3.31Å; H1402-C1461 PolarHBondContact O-N 2.96Å
1403	D	57.9	Low	53.8	Low	40 Å²	40	78.9 Å²	78.9	21%	0.214	44%	0.441	C	S	.	.	S	Bend	trans	-56	-35.2	171.9	89.1	-52.7	0	0	0	112.6	D1405 I1415 N1417 K1567	D1403-D1405 PolarHBondContact OD1-N 2.8Å; D1403-D1405 WeakPolarHBondContact OD2-CB 3.3Å; D1403-D1405 PolarHBondContact OD2-N 2.96Å; D1403-I1415 PolarHBondContact N-O 3.44Å; D1403-N1417 HydrophobicContact CB-CB 3.84Å; D1403-K1567 IonicContact OD2-NZ 3.11Å; D1403-K1567 PolarHBondContact OD2-NZ 3.05Å
1404	C	55.4	Low	55.2	Low	69 Å²	69	76 Å²	76	47%	0.466	42%	0.415	S	S	.	.			trans	82	26.5	-174.8	-57.7	0	0	0	0	119.1	D1401 H1402 G1406 C1461	D1401-C1404 WeakPolarHBondContact OD1-CA 3.32Å; H1402-C1404 PolarHBondContact O-N 2.88Å; C1404-G1406 VanDerWaalsContact C-N 3.32Å; C1404-G1406 PolarHBondContact O-N 3.35Å; C1404-C1461 VanDerWaalsContact SG-CA 3.52Å
1405	D	63.1	Low	56.8	Low	39 Å²	39	67.2 Å²	67.2	21%	0.209	38%	0.384	C	S	.	.	S	Bend	trans	-58.7	-42.5	169.9	84.3	-49.9	0	0	0	111.8	D1403 I1407 L1576 F1579	D1403-D1405 PolarHBondContact OD1-N 2.8Å; D1403-D1405 WeakPolarHBondContact OD2-CB 3.3Å; D1403-D1405 PolarHBondContact OD2-N 2.96Å; D1405-I1407 WeakPolarHBondContact OD1-CA 3.4Å; D1405-I1407 WeakPolarHBondContact OD1-CB 3.26Å; D1405-I1407 PolarHBondContact OD1-N 3.06Å; D1405-I1407 VanDerWaalsContact OD2-CB 3.22Å; D1405-I1407 WeakPolarHBondContact OD2-CB 3.47Å; D1405-I1407 WeakPolarHBondContact OD2-CG1 3.44Å; D1405-I1407 PolarHBondContact OD2-N 2.86Å; D1405-L1576 HydrophobicContact CB-CD1 4.17Å; D1405-F1579 HydrophobicContact CB-CE2 4.15Å; D1405-F1579 WeakPolarHBondContact OD2-CE2 3.37Å; D1405-F1579 VanDerWaalsContact OD2-CZ 3.25Å; D1405-F1579 WeakPolarHBondContact OD2-CZ 3.47Å
1406	G	65.5	Low	58.3	Low	54 Å²	54	62.9 Å²	62.9	56%	0.557	36%	0.362	S	S	*	.	S	Bend	trans	117.1	-6.4	-174.2	0	0	0	0	0	115.7	C1404	C1404-G1406 VanDerWaalsContact C-N 3.32Å; C1404-G1406 PolarHBondContact O-N 3.35Å
1407	I	62.1	Low	59.5	Low	48 Å²	48	58.6 Å²	58.6	25%	0.246	34%	0.34	C	S	.	.			trans	-63.4	141.2	153.1	-69.4	173	0	0	0	108.3	D1405 I1411 D1412 F1579	D1405-I1407 WeakPolarHBondContact OD1-CA 3.4Å; D1405-I1407 WeakPolarHBondContact OD1-CB 3.26Å; D1405-I1407 PolarHBondContact OD1-N 3.06Å; D1405-I1407 VanDerWaalsContact OD2-CB 3.22Å; D1405-I1407 WeakPolarHBondContact OD2-CB 3.47Å; D1405-I1407 WeakPolarHBondContact OD2-CG1 3.44Å; D1405-I1407 PolarHBondContact OD2-N 2.86Å; I1407-I1411 HydrophobicContact CG2-CB 4.02Å; I1407-I1411 HydrophobicContact CG2-CG2 4.24Å; I1407-D1412 HydrophobicContact CG2-CB 3.72Å; I1407-D1412 VanDerWaalsContact CG2-N 3.32Å; I1407-F1579 HydrophobicContact CD1-CE1 4.09Å; I1407-F1579 HydrophobicContact CD1-CZ 3.65Å; I1407-F1579 HydrophobicContact CG1-CE1 4.42Å; I1407-F1579 HydrophobicContact CG1-CZ 3.96Å
1408	P	66.1	Low	60.9	Low	19 Å²	19	59.7 Å²	59.7	12%	0.123	33%	0.33	C	S	.	.			trans	-79.6	146.7	168.2	-21.3	34.7	0	0	0	112.7	I1399 N1400 D1410 I1411 D1412	I1399-P1408 HydrophobicContact CD1-CG 4.34Å; I1399-P1408 HydrophobicContact CG1-CB 4.4Å; I1399-P1408 HydrophobicContact CG1-CG 4.28Å; I1399-P1408 HydrophobicContact CG2-CB 3.79Å; I1399-P1408 HydrophobicContact CG2-CG 3.94Å; N1400-P1408 CarbonylContact O-C 3.55Å; N1400-P1408 VanDerWaalsContact O-CA 3.24Å; N1400-P1408 WeakPolarHBondContact O-CA 3.25Å; P1408-D1410 PolarHBondContact O-N 3.16Å; P1408-I1411 HydrophobicContact CB-CG1 4.31Å; P1408-I1411 HydrophobicContact CG-CD1 3.94Å; P1408-I1411 HydrophobicContact CG-CG1 4.18Å; P1408-I1411 WeakPolarHBondContact O-CA 3.46Å; P1408-I1411 PolarHBondContact O-N 2.67Å; P1408-D1412 WeakPolarHBondContact O-CB 3.03Å; P1408-D1412 PolarHBondContact O-N 2.74Å
1409	D	60.8	Low	61.7	Low	38 Å²	38	55.5 Å²	55.5	20%	0.203	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-41.7	-34.5	164.4	-63.2	13.8	0	0	0	112.7	N1400 D1401 H1402 I1411 I1415	N1400-D1409 HydrophobicContact CB-CB 4.25Å; N1400-D1409 WeakPolarHBondContact CB-OD1 3.46Å; N1400-D1409 WeakPolarHBondContact CB-OD2 3.45Å; N1400-D1409 PolarHBondContact ND2-OD2 3.03Å; N1400-D1409 PolarHBondContact O-N 3.09Å; D1401-D1409 PolarHBondContact N-OD1 2.74Å; H1402-D1409 IonicContact CE1-OD1 3.24Å; H1402-D1409 IonicContact CE1-OD2 2.47Å; H1402-D1409 PolarHBondContact CE1-OD2 3.4Å; H1402-D1409 IonicContact CG-OD1 2.06Å; H1402-D1409 VanDerWaalsContact ND1-CG 3.26Å; H1402-D1409 IonicContact ND1-OD1 2.74Å; H1402-D1409 PolarHBondContact ND1-OD1 2.73Å; H1402-D1409 IonicContact ND1-OD2 3.81Å; H1402-D1409 PolarHBondContact ND1-OD2 2.87Å; D1409-I1411 PolarHBondContact O-N 2.85Å; D1409-I1415 HydrophobicContact CB-CD1 3.94Å; D1409-I1415 HydrophobicContact CB-CG1 4.41Å
1410	D	64.1	Low	62.1	Low	134 Å²	134	54.4 Å²	54.4	72%	0.717	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	17.9	-177.6	71.2	-71.1	0	0	0	114.6	P1408	P1408-D1410 PolarHBondContact O-N 3.16Å
1411	I	69	Low	62.8	Low	120 Å²	120	56.5 Å²	56.5	62%	0.615	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.2	-32.2	176.4	-54.5	-173.1	0	0	0	111.5	I1407 P1408 D1409	I1407-I1411 HydrophobicContact CG2-CB 4.02Å; I1407-I1411 HydrophobicContact CG2-CG2 4.24Å; P1408-I1411 HydrophobicContact CB-CG1 4.31Å; P1408-I1411 HydrophobicContact CG-CD1 3.94Å; P1408-I1411 HydrophobicContact CG-CG1 4.18Å; P1408-I1411 WeakPolarHBondContact O-CA 3.46Å; P1408-I1411 PolarHBondContact O-N 2.67Å; D1409-I1411 PolarHBondContact O-N 2.85Å
1412	D	64.8	Low	63	Low	22 Å²	22	55 Å²	55	12%	0.118	32%	0.317	C	S	.	.			trans	-54.6	157.6	174.7	-144.8	-28.5	0	0	0	113.7	I1407 P1408 D1414 I1415	I1407-D1412 HydrophobicContact CG2-CB 3.72Å; I1407-D1412 VanDerWaalsContact CG2-N 3.32Å; P1408-D1412 WeakPolarHBondContact O-CB 3.03Å; P1408-D1412 PolarHBondContact O-N 2.74Å; D1412-D1414 PolarHBondContact OD1-N 3.25Å; D1412-I1415 HydrophobicContact CB-CG1 3.93Å
1413	E	70.4	Confident	63.2	Low	89 Å²	89	59.8 Å²	59.8	42%	0.416	33%	0.333	S	S	.	.	S	Bend	trans	-124.4	-4	167.4	-47.2	-127.9	138.1	0	0	113.2	L1421 D1422 R1423	E1413-L1421 HydrophobicContact CB-CD2 3.84Å; E1413-L1421 CarbonylContact O-C 3.5Å; E1413-L1421 VanDerWaalsContact O-CA 3.24Å; E1413-L1421 WeakPolarHBondContact O-CA 3.45Å; E1413-D1422 PolarHBondContact O-N 2.92Å; E1413-R1423 IonicContact OE1-CZ 2.63Å; E1413-R1423 IonicContact OE1-NH1 2.65Å; E1413-R1423 IonicContact OE1-NH2 3.58Å; E1413-R1423 PolarHBondContact OE1-NH2 2.84Å; E1413-R1423 IonicContact OE2-CZ 2.61Å; E1413-R1423 IonicContact OE2-NH1 3.21Å; E1413-R1423 PolarHBondContact OE2-NH1 2.88Å; E1413-R1423 IonicContact OE2-NH2 3.54Å; E1413-R1423 PolarHBondContact OE2-NH2 2.7Å
1414	D	65.5	Low	63.5	Low	16 Å²	16	62.1 Å²	62.1	9%	0.086	35%	0.349	C	S	.	.	S	Bend	trans	-141.2	85.5	173.9	-178.4	-0.4	0	0	0	110.1	D1412 D1416 N1417 D1418 G1419 L1420	D1412-D1414 PolarHBondContact OD1-N 3.25Å; D1414-D1416 PolarHBondContact O-N 2.72Å; D1414-N1417 WeakPolarHBondContact O-CA 3.33Å; D1414-N1417 PolarHBondContact O-N 2.72Å; D1414-N1417 WeakPolarHBondContact OD1-CA 3.38Å; D1414-N1417 PolarHBondContact OD1-N 3.03Å; D1414-N1417 WeakPolarHBondContact OD2-CA 3.36Å; D1414-D1418 PolarHBondContact OD1-N 2.97Å; D1414-D1418 PolarHBondContact OD2-N 3.32Å; D1414-G1419 WeakPolarHBondContact OD2-CA 3.36Å; D1414-G1419 PolarHBondContact OD2-N 3.43Å; D1414-L1420 PolarHBondContact OD2-N 2.73Å
1415	I	68.2	Low	63.7	Low	32 Å²	32	59.6 Å²	59.6	16%	0.164	33%	0.331	C	S	.	.	S	Bend	trans	-71.9	-27.4	-160.9	-76.1	172.3	0	0	0	115.6	H1402 D1403 D1409 D1412 D1422	H1402-I1415 HydrophobicContact CB-CG2 3.76Å; H1402-I1415 WeakPolarHBondContact CB-O 3.39Å; H1402-I1415 WeakPolarHBondContact ND1-CG2 3.31Å; D1403-I1415 PolarHBondContact N-O 3.44Å; D1409-I1415 HydrophobicContact CB-CD1 3.94Å; D1409-I1415 HydrophobicContact CB-CG1 4.41Å; D1412-I1415 HydrophobicContact CB-CG1 3.93Å; I1415-D1422 VanDerWaalsContact CB-OD1 3.23Å; I1415-D1422 WeakPolarHBondContact CB-OD1 3.43Å; I1415-D1422 WeakPolarHBondContact CD1-OD2 3.13Å; I1415-D1422 VanDerWaalsContact CG1-OD1 3.26Å; I1415-D1422 WeakPolarHBondContact CG1-OD1 3.37Å; I1415-D1422 WeakPolarHBondContact CG1-OD2 3.49Å; I1415-D1422 PolarHBondContact N-OD1 3.43Å
1416	D	61.6	Low	64.1	Low	46 Å²	46	59.7 Å²	59.7	25%	0.246	33%	0.331	C	S	.	.	S	Bend	trans	-100.5	-3.7	166.3	58.4	0	0	0	0	113.4	D1414 Q1425 N1454	D1414-D1416 PolarHBondContact O-N 2.72Å; D1416-Q1425 PolarHBondContact OD1-NE2 3.21Å; D1416-Q1425 PolarHBondContact OD1-OE1 2.98Å; D1416-N1454 PolarHBondContact OD2-ND2 3.21Å
1417	N	58.1	Low	64.3	Low	27 Å²	27	59.3 Å²	59.3	14%	0.144	32%	0.32	C	S	.	.			trans	61.2	46.1	168	-152.5	144.3	0	0	0	112.3	D1403 D1414 K1567	D1403-N1417 HydrophobicContact CB-CB 3.84Å; D1414-N1417 WeakPolarHBondContact O-CA 3.33Å; D1414-N1417 PolarHBondContact O-N 2.72Å; D1414-N1417 WeakPolarHBondContact OD1-CA 3.38Å; D1414-N1417 PolarHBondContact OD1-N 3.03Å; D1414-N1417 WeakPolarHBondContact OD2-CA 3.36Å; N1417-K1567 VanDerWaalsContact CB-CE 3.45Å; N1417-K1567 VanDerWaalsContact ND2-CE 3.3Å; N1417-K1567 WeakPolarHBondContact ND2-CE 2.9Å; N1417-K1567 PolarHBondContact ND2-NZ 3.47Å; N1417-K1567 WeakPolarHBondContact OD1-CE 3.36Å; N1417-K1567 PolarHBondContact OD1-NZ 3.21Å
1418	D	66.1	Low	64.9	Low	89 Å²	89	59.4 Å²	59.4	48%	0.476	32%	0.321	S	S	.	.	S	Bend	trans	-91.6	-0.3	-179.5	91.1	-29.3	0	0	0	114	D1414 L1420 Q1425	D1414-D1418 PolarHBondContact OD1-N 2.97Å; D1414-D1418 PolarHBondContact OD2-N 3.32Å; D1418-L1420 VanDerWaalsContact OD1-CB 3.23Å; D1418-L1420 WeakPolarHBondContact OD1-CB 3.02Å; D1418-L1420 PolarHBondContact OD1-N 3.29Å; D1418-Q1425 PolarHBondContact OD1-NE2 2.77Å
1419	G	61.8	Low	64.7	Low	49 Å²	49	68.2 Å²	68.2	51%	0.505	35%	0.352	S	S	.	.	S	Bend	trans	99.2	-12.6	-175.2	0	0	0	0	0	113	D1414	D1414-G1419 WeakPolarHBondContact OD2-CA 3.36Å; D1414-G1419 PolarHBondContact OD2-N 3.43Å
1420	L	57.3	Low	65.5	Low	79 Å²	79	71.2 Å²	71.2	41%	0.414	37%	0.368	S	S	.	.	S	Bend	trans	-107	98.4	180	-56	174.7	0	0	0	110.7	D1414 D1418 D1422 Q1425	D1414-L1420 PolarHBondContact OD2-N 2.73Å; D1418-L1420 VanDerWaalsContact OD1-CB 3.23Å; D1418-L1420 WeakPolarHBondContact OD1-CB 3.02Å; D1418-L1420 PolarHBondContact OD1-N 3.29Å; L1420-D1422 PolarHBondContact O-N 3.16Å; L1420-Q1425 HydrophobicContact CB-CG 3.91Å; L1420-Q1425 WeakPolarHBondContact O-CG 3.07Å; L1420-Q1425 PolarHBondContact O-NE2 3.22Å
1421	L	64.7	Low	65.8	Low	88 Å²	88	67.6 Å²	67.6	46%	0.461	36%	0.362	S	S	.	.			trans	-34.6	134.4	171.6	-63.9	170.8	0	0	0	112.7	E1413 R1423 T1424	E1413-L1421 HydrophobicContact CB-CD2 3.84Å; E1413-L1421 CarbonylContact O-C 3.5Å; E1413-L1421 VanDerWaalsContact O-CA 3.24Å; E1413-L1421 WeakPolarHBondContact O-CA 3.45Å; L1421-R1423 PolarHBondContact O-N 3.25Å; L1421-T1424 PolarHBondContact O-N 2.88Å; L1421-T1424 PolarHBondContact O-OG1 2.86Å
1422	D	60.6	Low	65.8	Low	17 Å²	17	64.8 Å²	64.8	9%	0.091	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-39.7	-25.1	179.8	-75.6	-21.1	0	0	0	116	E1413 I1415 L1420 H1435	E1413-D1422 PolarHBondContact O-N 2.92Å; I1415-D1422 VanDerWaalsContact CB-OD1 3.23Å; I1415-D1422 WeakPolarHBondContact CB-OD1 3.43Å; I1415-D1422 WeakPolarHBondContact CD1-OD2 3.13Å; I1415-D1422 VanDerWaalsContact CG1-OD1 3.26Å; I1415-D1422 WeakPolarHBondContact CG1-OD1 3.37Å; I1415-D1422 WeakPolarHBondContact CG1-OD2 3.49Å; I1415-D1422 PolarHBondContact N-OD1 3.43Å; L1420-D1422 PolarHBondContact O-N 3.16Å; D1422-H1435 HydrophobicContact CB-CB 4.24Å; D1422-H1435 PolarHBondContact O-ND1 3.23Å
1423	R	64.2	Low	65.9	Low	141 Å²	141	66.5 Å²	66.5	53%	0.532	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-10.5	-175	-60.5	-179.8	-176.7	138.6	15.2	113.5	E1413 L1421 L1433	E1413-R1423 IonicContact OE1-CZ 2.63Å; E1413-R1423 IonicContact OE1-NH1 2.65Å; E1413-R1423 IonicContact OE1-NH2 3.58Å; E1413-R1423 PolarHBondContact OE1-NH2 2.84Å; E1413-R1423 IonicContact OE2-CZ 2.61Å; E1413-R1423 IonicContact OE2-NH1 3.21Å; E1413-R1423 PolarHBondContact OE2-NH1 2.88Å; E1413-R1423 IonicContact OE2-NH2 3.54Å; E1413-R1423 PolarHBondContact OE2-NH2 2.7Å; L1421-R1423 PolarHBondContact O-N 3.25Å; R1423-L1433 VanDerWaalsContact O-CD1 3.32Å; R1423-L1433 WeakPolarHBondContact O-CD1 3.46Å; R1423-L1433 WeakPolarHBondContact O-CD2 3.48Å
1424	T	63.8	Low	65.6	Low	88 Å²	88	63.1 Å²	63.1	54%	0.54	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-33.7	178.3	64.1	0	0	0	0	112.5	L1421 L1433	L1421-T1424 PolarHBondContact O-N 2.88Å; L1421-T1424 PolarHBondContact O-OG1 2.86Å; T1424-L1433 WeakPolarHBondContact O-CD2 3.33Å
1425	Q	60.8	Low	65.6	Low	17 Å²	17	67.1 Å²	67.1	8%	0.079	36%	0.36	C	S	.	.			trans	-65.9	138.8	-179.5	-61.1	-177.9	-9.1	0	0	114.7	D1416 D1418 L1420 L1433 N1434	D1416-Q1425 PolarHBondContact OD1-NE2 3.21Å; D1416-Q1425 PolarHBondContact OD1-OE1 2.98Å; D1418-Q1425 PolarHBondContact OD1-NE2 2.77Å; L1420-Q1425 HydrophobicContact CB-CG 3.91Å; L1420-Q1425 WeakPolarHBondContact O-CG 3.07Å; L1420-Q1425 PolarHBondContact O-NE2 3.22Å; Q1425-L1433 CarbonylContact O-C 3.55Å; Q1425-L1433 WeakPolarHBondContact O-CA 3.25Å; Q1425-L1433 WeakPolarHBondContact O-CB 3.16Å; Q1425-L1433 VanDerWaalsContact O-CD2 3.24Å; Q1425-L1433 WeakPolarHBondContact O-CD2 3.49Å; Q1425-N1434 WeakPolarHBondContact CB-ND2 3.46Å; Q1425-N1434 PolarHBondContact O-N 3.38Å; Q1425-N1434 PolarHBondContact OE1-ND2 2.98Å
1426	D	71.8	Confident	65.7	Low	41 Å²	41	69.3 Å²	69.3	22%	0.219	37%	0.374	C	S	.	.			trans	-145	85.5	175.5	178	-15.1	0	0	0	107	D1428 W1429 D1430 G1431 L1432	D1426-D1428 PolarHBondContact O-N 2.88Å; D1426-W1429 PolarHBondContact O-N 3.39Å; D1426-W1429 WeakPolarHBondContact OD1-CA 3.17Å; D1426-W1429 PolarHBondContact OD1-N 2.97Å; D1426-W1429 VanDerWaalsContact OD1-N 3.13Å; D1426-D1430 PolarHBondContact OD1-N 3.26Å; D1426-G1431 PolarHBondContact OD1-N 3.01Å; D1426-G1431 WeakPolarHBondContact OD2-CA 3.49Å; D1426-G1431 PolarHBondContact OD2-N 3.1Å; D1426-L1432 PolarHBondContact OD2-N 3.06Å
1427	S	69.9	Low	66.1	Low	45 Å²	45	69.4 Å²	69.4	32%	0.315	38%	0.375	S	S	.	.	S	Bend	trans	-68.2	-34.7	-161.6	-77	0	0	0	0	115.1	N1434 D1440	S1427-N1434 WeakPolarHBondContact CB-OD1 3.47Å; S1427-N1434 PolarHBondContact N-OD1 3Å; S1427-N1434 PolarHBondContact OG-ND2 3.02Å; S1427-N1434 PolarHBondContact OG-OD1 3.22Å; S1427-D1440 WeakPolarHBondContact CB-O 3.46Å
1428	D	73	Confident	66.8	Low	50 Å²	50	74.9 Å²	74.9	27%	0.267	40%	0.399	S	S	.	.	S	Bend	trans	-91.4	-10.7	176.1	96.4	-44.1	0	0	0	114.4	D1426 D1430 D1440 N1442	D1426-D1428 PolarHBondContact O-N 2.88Å; D1428-D1430 WeakPolarHBondContact OD1-CB 3.38Å; D1428-D1430 PolarHBondContact OD1-N 2.99Å; D1428-D1440 PolarHBondContact N-O 2.66Å; D1428-N1442 HydrophobicContact CB-CB 4.13Å; D1428-N1442 WeakPolarHBondContact OD2-CB 3.31Å; D1428-N1442 PolarHBondContact OD2-ND2 3.07Å
1429	W	62.7	Low	67.5	Low	205 Å²	205	72.3 Å²	72.3	78%	0.777	39%	0.385	S	S	*	.	S	Bend	trans	66.3	34.4	-176.1	-58.1	30.4	0	0	0	113.3	D1426	D1426-W1429 PolarHBondContact O-N 3.39Å; D1426-W1429 WeakPolarHBondContact OD1-CA 3.17Å; D1426-W1429 PolarHBondContact OD1-N 2.97Å; D1426-W1429 VanDerWaalsContact OD1-N 3.13Å
1430	D	77.4	Confident	68.1	Low	101 Å²	101	71.1 Å²	71.1	54%	0.54	37%	0.368	S	S	.	.	S	Bend	trans	-72	-29.8	171.4	-178.4	-90.2	0	0	0	112.6	D1426 D1428	D1426-D1430 PolarHBondContact OD1-N 3.26Å; D1428-D1430 WeakPolarHBondContact OD1-CB 3.38Å; D1428-D1430 PolarHBondContact OD1-N 2.99Å
1431	G	70.4	Confident	68.9	Low	58 Å²	58	70 Å²	70	60%	0.598	36%	0.362	S	S	*	.	S	Bend	trans	99.6	25.8	-165.9	0	0	0	0	0	113.3	D1426	D1426-G1431 PolarHBondContact OD1-N 3.01Å; D1426-G1431 WeakPolarHBondContact OD2-CA 3.49Å; D1426-G1431 PolarHBondContact OD2-N 3.1Å
1432	L	68.9	Low	69.2	Low	61 Å²	61	69.8 Å²	69.8	32%	0.319	36%	0.362	S	S	.	.			trans	-125.4	117.4	170	-71.5	174.1	0	0	0	107.5	D1426 V1436 D1437	D1426-L1432 PolarHBondContact OD2-N 3.06Å; L1432-V1436 HydrophobicContact CD2-CG1 4.19Å; L1432-D1437 HydrophobicContact CB-CB 4Å; L1432-D1437 HydrophobicContact CD1-CB 4.18Å; L1432-D1437 VanDerWaalsContact CD1-CG 3.47Å; L1432-D1437 VanDerWaalsContact CD1-OD2 3.29Å; L1432-D1437 WeakPolarHBondContact CD1-OD2 3.16Å
1433	L	66.9	Low	70	Confident	58 Å²	58	73.1 Å²	73.1	30%	0.304	38%	0.379	S	S	.	.			trans	-62.4	148.1	175.9	-59.8	160.4	0	0	0	110	R1423 T1424 Q1425 H1435 V1436 D1437	R1423-L1433 VanDerWaalsContact O-CD1 3.32Å; R1423-L1433 WeakPolarHBondContact O-CD1 3.46Å; R1423-L1433 WeakPolarHBondContact O-CD2 3.48Å; T1424-L1433 WeakPolarHBondContact O-CD2 3.33Å; Q1425-L1433 CarbonylContact O-C 3.55Å; Q1425-L1433 WeakPolarHBondContact O-CA 3.25Å; Q1425-L1433 WeakPolarHBondContact O-CB 3.16Å; Q1425-L1433 VanDerWaalsContact O-CD2 3.24Å; Q1425-L1433 WeakPolarHBondContact O-CD2 3.49Å; L1433-H1435 VanDerWaalsContact C-N 3.28Å; L1433-H1435 PolarHBondContact O-N 3.05Å; L1433-H1435 VanDerWaalsContact O-N 3.16Å; L1433-V1436 HydrophobicContact CB-CG2 4.11Å; L1433-V1436 WeakPolarHBondContact O-CA 3.48Å; L1433-V1436 VanDerWaalsContact O-CB 3.23Å; L1433-V1436 WeakPolarHBondContact O-CB 3.42Å; L1433-V1436 PolarHBondContact O-N 3.42Å; L1433-D1437 PolarHBondContact O-N 2.97Å
1434	N	64.7	Low	70.7	Confident	18 Å²	18	67.8 Å²	67.8	10%	0.096	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-51.4	-45	-172.9	-67.4	-7.2	0	0	0	112.3	Q1425 S1427 V1436	Q1425-N1434 WeakPolarHBondContact CB-ND2 3.46Å; Q1425-N1434 PolarHBondContact O-N 3.38Å; Q1425-N1434 PolarHBondContact OE1-ND2 2.98Å; S1427-N1434 WeakPolarHBondContact CB-OD1 3.47Å; S1427-N1434 PolarHBondContact N-OD1 3Å; S1427-N1434 PolarHBondContact OG-ND2 3.02Å; S1427-N1434 PolarHBondContact OG-OD1 3.22Å; N1434-V1436 PolarHBondContact O-N 3.39Å
1435	H	64.6	Low	71	Confident	100 Å²	100	66.9 Å²	66.9	46%	0.463	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-64.5	3.9	175.4	79.3	-89.5	0	0	0	115.9	D1422 L1433	D1422-H1435 HydrophobicContact CB-CB 4.24Å; D1422-H1435 PolarHBondContact O-ND1 3.23Å; L1433-H1435 VanDerWaalsContact C-N 3.28Å; L1433-H1435 PolarHBondContact O-N 3.05Å; L1433-H1435 VanDerWaalsContact O-N 3.16Å
1436	V	71.6	Confident	71.7	Confident	78 Å²	78	68.7 Å²	68.7	47%	0.473	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-125.8	-25.2	-172.9	-168.3	0	0	0	0	114.4	L1432 L1433 N1434	L1432-V1436 HydrophobicContact CD2-CG1 4.19Å; L1433-V1436 HydrophobicContact CB-CG2 4.11Å; L1433-V1436 WeakPolarHBondContact O-CA 3.48Å; L1433-V1436 VanDerWaalsContact O-CB 3.23Å; L1433-V1436 WeakPolarHBondContact O-CB 3.42Å; L1433-V1436 PolarHBondContact O-N 3.42Å; N1434-V1436 PolarHBondContact O-N 3.39Å
1437	D	68.3	Low	71.4	Confident	48 Å²	48	67.9 Å²	67.9	26%	0.257	37%	0.368	S	S	.	.			trans	-80.6	-169.3	178.7	-145.9	-18.5	0	0	0	113.1	L1432 L1433	L1432-D1437 HydrophobicContact CB-CB 4Å; L1432-D1437 HydrophobicContact CD1-CB 4.18Å; L1432-D1437 VanDerWaalsContact CD1-CG 3.47Å; L1432-D1437 VanDerWaalsContact CD1-OD2 3.29Å; L1432-D1437 WeakPolarHBondContact CD1-OD2 3.16Å; L1433-D1437 PolarHBondContact O-N 2.97Å
1438	E	73.8	Confident	71.2	Confident	142 Å²	142	72.9 Å²	72.9	66%	0.664	39%	0.39	S	S	*	.	S	Bend	trans	-136.7	22.8	172.2	-57	-176.2	168	0	0	110	P1446	E1438-P1446 VanDerWaalsContact O-CA 3.28Å; E1438-P1446 WeakPolarHBondContact O-CA 3.36Å; E1438-P1446 WeakPolarHBondContact O-CB 3.46Å; E1438-P1446 VanDerWaalsContact O-CG 3.23Å; E1438-P1446 WeakPolarHBondContact O-CG 3.49Å
1439	D	79.9	Confident	71	Confident	34 Å²	34	78.9 Å²	78.9	18%	0.182	42%	0.416	C	S	.	.			trans	-170.9	49.4	-170.2	-138.2	29.5	0	0	0	111.9	D1441 N1442 G1444 I1445 P1446 D1447	D1439-D1441 VanDerWaalsContact C-N 3.35Å; D1439-D1441 PolarHBondContact O-N 3.19Å; D1439-N1442 WeakPolarHBondContact O-CA 3.19Å; D1439-N1442 PolarHBondContact O-N 2.83Å; D1439-G1444 WeakPolarHBondContact OD1-CA 3.41Å; D1439-G1444 WeakPolarHBondContact OD2-CA 3.41Å; D1439-I1445 PolarHBondContact OD1-N 3.24Å; D1439-P1446 WeakPolarHBondContact OD1-CD 3.24Å; D1439-P1446 VanDerWaalsContact OD1-N 3.09Å; D1439-D1447 PolarHBondContact N-OD1 2.79Å
1440	D	74.8	Confident	71.1	Confident	25 Å²	25	70.9 Å²	70.9	13%	0.134	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.8	-158.1	-58.5	-22.4	0	0	0	118.6	S1427 D1428	S1427-D1440 WeakPolarHBondContact CB-O 3.46Å; D1428-D1440 PolarHBondContact N-O 2.66Å
1441	D	74.5	Confident	70.6	Confident	56 Å²	56	71.2 Å²	71.2	30%	0.299	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-8	171.7	91.6	-42	0	0	0	114.4	D1439 D1443 A1453	D1439-D1441 VanDerWaalsContact C-N 3.35Å; D1439-D1441 PolarHBondContact O-N 3.19Å; D1441-D1443 PolarHBondContact O-N 3.15Å; D1441-D1443 VanDerWaalsContact OD1-CB 3.28Å; D1441-D1443 WeakPolarHBondContact OD1-CB 3.01Å; D1441-D1443 PolarHBondContact OD1-N 3.32Å; D1441-A1453 PolarHBondContact N-O 2.78Å
1442	N	70.5	Confident	70.6	Confident	83 Å²	83	70.7 Å²	70.7	44%	0.444	37%	0.37	S	S	.	.			trans	58.7	27.4	-172.1	-127.7	-59	0	0	0	116.5	D1428 D1439 G1444	D1428-N1442 HydrophobicContact CB-CB 4.13Å; D1428-N1442 WeakPolarHBondContact OD2-CB 3.31Å; D1428-N1442 PolarHBondContact OD2-ND2 3.07Å; D1439-N1442 WeakPolarHBondContact O-CA 3.19Å; D1439-N1442 PolarHBondContact O-N 2.83Å; N1442-G1444 PolarHBondContact O-N 3.03Å
1443	D	77.9	Confident	70.6	Confident	87 Å²	87	68.1 Å²	68.1	47%	0.465	36%	0.358	S	S	.	.	S	Bend	trans	-55.8	-40	165.6	169	-79.4	0	0	0	110.9	D1441 I1445	D1441-D1443 PolarHBondContact O-N 3.15Å; D1441-D1443 VanDerWaalsContact OD1-CB 3.28Å; D1441-D1443 WeakPolarHBondContact OD1-CB 3.01Å; D1441-D1443 PolarHBondContact OD1-N 3.32Å; D1443-I1445 VanDerWaalsContact OD1-CD1 3.31Å; D1443-I1445 WeakPolarHBondContact OD1-CD1 3.36Å; D1443-I1445 VanDerWaalsContact OD1-CG1 3.24Å; D1443-I1445 WeakPolarHBondContact OD1-CG1 3.39Å; D1443-I1445 PolarHBondContact OD1-N 2.78Å
1444	G	77.9	Confident	70.6	Confident	29 Å²	29	67.1 Å²	67.1	30%	0.299	35%	0.353	S	S	.	.	S	Bend	trans	103.1	19.8	-170.2	0	0	0	0	0	114.3	D1439 N1442	D1439-G1444 WeakPolarHBondContact OD1-CA 3.41Å; D1439-G1444 WeakPolarHBondContact OD2-CA 3.41Å; N1442-G1444 PolarHBondContact O-N 3.03Å
1445	I	71.2	Confident	70.6	Confident	69 Å²	69	68.2 Å²	68.2	35%	0.354	37%	0.368	S	S	.	.	S	Bend	trans	-117.9	110	163.7	-61.5	160.8	0	0	0	106.9	D1439 D1443 D1447 E1449 D1450	D1439-I1445 PolarHBondContact OD1-N 3.24Å; D1443-I1445 VanDerWaalsContact OD1-CD1 3.31Å; D1443-I1445 WeakPolarHBondContact OD1-CD1 3.36Å; D1443-I1445 VanDerWaalsContact OD1-CG1 3.24Å; D1443-I1445 WeakPolarHBondContact OD1-CG1 3.39Å; D1443-I1445 PolarHBondContact OD1-N 2.78Å; I1445-D1447 PolarHBondContact O-N 3.2Å; I1445-E1449 HydrophobicContact CG2-CB 4.35Å; I1445-D1450 HydrophobicContact CB-CB 4.45Å; I1445-D1450 WeakPolarHBondContact CB-OD2 3.41Å; I1445-D1450 WeakPolarHBondContact CD1-OD2 3.45Å; I1445-D1450 HydrophobicContact CG2-CB 3.77Å; I1445-D1450 WeakPolarHBondContact CG2-OD2 3.39Å
1446	P	75.9	Confident	70.5	Confident	55 Å²	55	67.9 Å²	67.9	36%	0.357	37%	0.37	S	S	.	.			trans	-54.7	128.3	174.8	-32.3	38.4	0	0	0	111.3	E1438 D1439 I1448 E1449 D1450	E1438-P1446 VanDerWaalsContact O-CA 3.28Å; E1438-P1446 WeakPolarHBondContact O-CA 3.36Å; E1438-P1446 WeakPolarHBondContact O-CB 3.46Å; E1438-P1446 VanDerWaalsContact O-CG 3.23Å; E1438-P1446 WeakPolarHBondContact O-CG 3.49Å; D1439-P1446 WeakPolarHBondContact OD1-CD 3.24Å; D1439-P1446 VanDerWaalsContact OD1-N 3.09Å; P1446-I1448 PolarHBondContact O-N 2.89Å; P1446-E1449 CarbonylContact O-C 3.6Å; P1446-E1449 WeakPolarHBondContact O-CA 3.22Å; P1446-E1449 PolarHBondContact O-N 3.27Å; P1446-D1450 PolarHBondContact O-N 3.1Å
1447	D	64.9	Low	70.1	Confident	23 Å²	23	66.3 Å²	66.3	12%	0.123	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-10.7	-62.4	160.1	31.8	-81.5	0	0	0	114.2	D1439 I1445 E1449 D1450 A1453	D1439-D1447 PolarHBondContact N-OD1 2.79Å; I1445-D1447 PolarHBondContact O-N 3.2Å; D1447-E1449 PolarHBondContact O-N 2.8Å; D1447-D1450 PolarHBondContact O-N 2.87Å; D1447-A1453 HydrophobicContact CB-CB 3.97Å
1448	I	65.9	Low	69.5	Low	151 Å²	151	69.9 Å²	69.9	77%	0.774	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-61.5	-17.6	-179.7	-55	156.7	0	0	0	115.1	P1446	P1446-I1448 PolarHBondContact O-N 2.89Å
1449	E	67.9	Low	68.9	Low	176 Å²	176	65.9 Å²	65.9	82%	0.822	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-115.7	-2.7	171	-79.8	-163.2	-159.8	0	0	114.3	I1445 P1446 D1447	I1445-E1449 HydrophobicContact CG2-CB 4.35Å; P1446-E1449 CarbonylContact O-C 3.6Å; P1446-E1449 WeakPolarHBondContact O-CA 3.22Å; P1446-E1449 PolarHBondContact O-N 3.27Å; D1447-E1449 PolarHBondContact O-N 2.8Å
1450	D	65.4	Low	67.6	Low	37 Å²	37	65.7 Å²	65.7	20%	0.198	37%	0.373	C	S	.	.			trans	-77	-176.2	169.5	-141.7	-71.9	0	0	0	111.1	I1445 P1446 D1447 D1452	I1445-D1450 HydrophobicContact CB-CB 4.45Å; I1445-D1450 WeakPolarHBondContact CB-OD2 3.41Å; I1445-D1450 WeakPolarHBondContact CD1-OD2 3.45Å; I1445-D1450 HydrophobicContact CG2-CB 3.77Å; I1445-D1450 WeakPolarHBondContact CG2-OD2 3.39Å; P1446-D1450 PolarHBondContact O-N 3.1Å; D1447-D1450 PolarHBondContact O-N 2.87Å; D1450-D1452 PolarHBondContact OD1-N 3.3Å
1451	E	66.6	Low	66.4	Low	107 Å²	107	66.4 Å²	66.4	50%	0.5	38%	0.379	S	S	.	.	S	Bend	trans	-127.9	10.5	161	-52	-171.5	131.7	0	0	111.1	P1459 D1460 R1462	E1451-P1459 CarbonylContact O-C 3.52Å; E1451-P1459 WeakPolarHBondContact O-CA 3.36Å; E1451-P1459 WeakPolarHBondContact O-CB 3.38Å; E1451-D1460 PolarHBondContact O-N 2.67Å; E1451-D1460 VanDerWaalsContact O-N 3.16Å; E1451-R1462 VanDerWaalsContact CD-CZ 3.45Å; E1451-R1462 IonicContact OE1-CZ 2.73Å; E1451-R1462 IonicContact OE1-NH1 2.94Å; E1451-R1462 IonicContact OE1-NH2 3.59Å; E1451-R1462 PolarHBondContact OE1-NH2 2.7Å; E1451-R1462 IonicContact OE2-CZ 3.59Å; E1451-R1462 IonicContact OE2-NH1 4Å; E1451-R1462 PolarHBondContact OE2-NH1 2.97Å; E1451-R1462 IonicContact OE2-NH2 3.24Å; E1451-R1462 PolarHBondContact OE2-NH2 3Å
1452	D	69.8	Low	65.1	Low	47 Å²	47	70.2 Å²	70.2	25%	0.251	39%	0.389	S	S	.	.	S	Bend	trans	-159	62.9	-166.4	-166.1	-3.9	0	0	0	110.2	D1450 G1455 G1457 I1458 D1460	D1450-D1452 PolarHBondContact OD1-N 3.3Å; D1452-G1455 PolarHBondContact O-N 3.41Å; D1452-G1457 WeakPolarHBondContact OD1-CA 3.36Å; D1452-G1457 PolarHBondContact OD1-N 2.96Å; D1452-G1457 WeakPolarHBondContact OD2-CA 3.49Å; D1452-I1458 PolarHBondContact OD1-N 3.15Å; D1452-D1460 VanDerWaalsContact CA-OD1 3.29Å; D1452-D1460 WeakPolarHBondContact CA-OD1 3.2Å; D1452-D1460 PolarHBondContact N-OD1 3.24Å; D1452-D1460 VanDerWaalsContact N-OD1 3.16Å
1453	A	69.6	Low	63.7	Low	8 Å²	8	71.7 Å²	71.7	7%	0.066	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-44.5	-156.1	0	0	0	0	0	116.3	D1441 D1447 G1455 D1460	D1441-A1453 PolarHBondContact N-O 2.78Å; D1447-A1453 HydrophobicContact CB-CB 3.97Å; A1453-G1455 PolarHBondContact O-N 3.42Å; A1453-D1460 PolarHBondContact N-OD1 2.64Å
1454	N	66	Low	61.8	Low	37 Å²	37	75 Å²	75	20%	0.198	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-8.8	177.3	66.9	2.6	0	0	0	112.5	D1416 D1456	D1416-N1454 PolarHBondContact OD2-ND2 3.21Å; N1454-D1456 PolarHBondContact ND2-OD2 3.33Å; N1454-D1456 WeakPolarHBondContact OD1-CB 3.3Å; N1454-D1456 PolarHBondContact OD1-N 2.84Å; N1454-D1456 PolarHBondContact OD1-OD1 2.79Å; N1454-D1456 PolarHBondContact OD1-OD2 2.63Å
1455	G	64.9	Low	59.9	Low	40 Å²	40	80.5 Å²	80.5	41%	0.412	45%	0.452	S	S	.	.	S	Bend	trans	78.3	14.1	179.4	0	0	0	0	0	115.6	D1452 A1453	D1452-G1455 PolarHBondContact O-N 3.41Å; A1453-G1455 PolarHBondContact O-N 3.42Å
1456	D	63.1	Low	58.2	Low	93 Å²	93	83.3 Å²	83.3	50%	0.497	48%	0.477	S	S	.	.	S	Bend	trans	-74.3	-22.1	-179	73	13.3	0	0	0	113.7	N1454 I1458	N1454-D1456 PolarHBondContact ND2-OD2 3.33Å; N1454-D1456 WeakPolarHBondContact OD1-CB 3.3Å; N1454-D1456 PolarHBondContact OD1-N 2.84Å; N1454-D1456 PolarHBondContact OD1-OD1 2.79Å; N1454-D1456 PolarHBondContact OD1-OD2 2.63Å; D1456-I1458 WeakPolarHBondContact OD1-CA 3.48Å; D1456-I1458 WeakPolarHBondContact OD1-CB 3.24Å; D1456-I1458 VanDerWaalsContact OD1-CG1 3.31Å; D1456-I1458 WeakPolarHBondContact OD1-CG1 3.26Å; D1456-I1458 PolarHBondContact OD1-N 3.36Å
1457	G	64.3	Low	56.3	Low	45 Å²	45	88.1 Å²	88.1	46%	0.464	50%	0.5	S	S	.	.	S	Bend	trans	102.8	7.9	-175.8	0	0	0	0	0	115.6	D1452 P1459	D1452-G1457 WeakPolarHBondContact OD1-CA 3.36Å; D1452-G1457 PolarHBondContact OD1-N 2.96Å; D1452-G1457 WeakPolarHBondContact OD2-CA 3.49Å; G1457-P1459 WeakPolarHBondContact O-CD 3.38Å
1458	I	53.9	Low	55	Low	123 Å²	123	93.4 Å²	93.4	63%	0.631	53%	0.528	S	S	*	.			trans	-112.1	105.3	-173.4	-55.5	179.3	0	0	0	109.8	D1452 D1456 D1460	D1452-I1458 PolarHBondContact OD1-N 3.15Å; D1456-I1458 WeakPolarHBondContact OD1-CA 3.48Å; D1456-I1458 WeakPolarHBondContact OD1-CB 3.24Å; D1456-I1458 VanDerWaalsContact OD1-CG1 3.31Å; D1456-I1458 WeakPolarHBondContact OD1-CG1 3.26Å; D1456-I1458 PolarHBondContact OD1-N 3.36Å; I1458-D1460 PolarHBondContact O-N 3.36Å
1459	P	61.1	Low	53.7	Low	58 Å²	58	93.6 Å²	93.6	38%	0.377	52%	0.523	S	S	.	.			trans	-71.4	116	-167.3	-32.2	41.4	0	0	0	118.3	E1451 G1457 C1461	E1451-P1459 CarbonylContact O-C 3.52Å; E1451-P1459 WeakPolarHBondContact O-CA 3.36Å; E1451-P1459 WeakPolarHBondContact O-CB 3.38Å; G1457-P1459 WeakPolarHBondContact O-CD 3.38Å; P1459-C1461 PolarHBondContact O-N 2.74Å
1460	D	53	Low	52.1	Low	31 Å²	31	93 Å²	93	17%	0.166	53%	0.525	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.6	132	-176.3	13.6	-72	0	0	0	114.8	E1451 D1452 A1453 I1458 R1462	E1451-D1460 PolarHBondContact O-N 2.67Å; E1451-D1460 VanDerWaalsContact O-N 3.16Å; D1452-D1460 VanDerWaalsContact CA-OD1 3.29Å; D1452-D1460 WeakPolarHBondContact CA-OD1 3.2Å; D1452-D1460 PolarHBondContact N-OD1 3.24Å; D1452-D1460 VanDerWaalsContact N-OD1 3.16Å; A1453-D1460 PolarHBondContact N-OD1 2.64Å; I1458-D1460 PolarHBondContact O-N 3.36Å; D1460-R1462 PolarHBondContact O-N 2.71Å
1461	C	51	Low	50.7	Low	40 Å²	40	99.7 Å²	99.7	27%	0.27	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	44.1	41.4	163.9	76.3	0	0	0	0	118.5	D1401 H1402 C1404 P1459 S1463	D1401-C1461 WeakPolarHBondContact O-CB 3.27Å; H1402-C1461 PolarHBondContact O-N 2.96Å; C1404-C1461 VanDerWaalsContact SG-CA 3.52Å; P1459-C1461 PolarHBondContact O-N 2.74Å; C1461-S1463 VanDerWaalsContact O-CB 3.32Å; C1461-S1463 WeakPolarHBondContact O-CB 3.23Å; C1461-S1463 PolarHBondContact O-N 3Å; C1461-S1463 PolarHBondContact O-OG 3.03Å
1462	R	47.2	Very low	49.1	Very low	135 Å²	135	98.2 Å²	98.2	51%	0.509	55%	0.55	S	S	.	*			trans	-74.9	25.9	-165.4	-143.2	163.5	-175.9	142.5	8.4	118.9	E1451 D1460 D1464	E1451-R1462 VanDerWaalsContact CD-CZ 3.45Å; E1451-R1462 IonicContact OE1-CZ 2.73Å; E1451-R1462 IonicContact OE1-NH1 2.94Å; E1451-R1462 IonicContact OE1-NH2 3.59Å; E1451-R1462 PolarHBondContact OE1-NH2 2.7Å; E1451-R1462 IonicContact OE2-CZ 3.59Å; E1451-R1462 IonicContact OE2-NH1 4Å; E1451-R1462 PolarHBondContact OE2-NH1 2.97Å; E1451-R1462 IonicContact OE2-NH2 3.24Å; E1451-R1462 PolarHBondContact OE2-NH2 3Å; D1460-R1462 PolarHBondContact O-N 2.71Å; R1462-D1464 PolarHBondContact O-N 3.16Å
1463	S	39.8	Very low	47	Very low	115 Å²	115	101.6 Å²	101.6	80%	0.804	56%	0.559	S	S	*	*			trans	17.2	13	153.4	65.8	0	0	0	0	126.6	C1461	C1461-S1463 VanDerWaalsContact O-CB 3.32Å; C1461-S1463 WeakPolarHBondContact O-CB 3.23Å; C1461-S1463 PolarHBondContact O-N 3Å; C1461-S1463 PolarHBondContact O-OG 3.03Å
1464	D	38.4	Very low	44.9	Very low	155 Å²	155	112.2 Å²	112.2	83%	0.829	60%	0.599	S	S	*	*			trans	-128.6	14.5	-168.7	-148.7	40.9	0	0	0	119.6	R1462	R1462-D1464 PolarHBondContact O-N 3.16Å
1465	V	38.3	Very low	43.3	Very low	145 Å²	145	116.2 Å²	116.2	88%	0.879	62%	0.615	S	S	*	*			trans	-97.6	3.4	-166.2	-150.3	0	0	0	0	118.3	D1467	V1465-D1467 PolarHBondContact O-N 3.22Å
1466	S	36.4	Very low	41.8	Very low	128 Å²	128	123.6 Å²	123.6	90%	0.895	64%	0.636	S	S	*	*			trans	-92.7	41.9	-173.8	61.2	0	0	0	0	118.6
1467	D	34.1	Very low	40.3	Very low	157 Å²	157	128.8 Å²	128.8	84%	0.84	65%	0.654	S	S	*	*			trans	-147.7	137.3	168	-159.4	11.3	0	0	0	119.1	V1465 K1469	V1465-D1467 PolarHBondContact O-N 3.22Å; D1467-K1469 PolarHBondContact O-N 2.85Å
1468	L	38.7	Very low	39	Very low	134 Å²	134	135 Å²	135	70%	0.702	67%	0.673	S	S	*	*			trans	-90.1	97.5	-172.7	-126.1	72	0	0	0	113.5
1469	K	37.7	Very low	38.2	Very low	155 Å²	155	139.5 Å²	139.5	67%	0.674	68%	0.682	S	S	*	*			trans	83.5	98.9	156	-46.3	144.4	170.1	58.3	0	119.1	D1467	D1467-K1469 PolarHBondContact O-N 2.85Å
1470	L	34.1	Very low	37.8	Very low	163 Å²	163	140.6 Å²	140.6	85%	0.853	68%	0.681	S	S	*	*			trans	-145.8	73.5	156.7	-142.7	127.7	0	0	0	121.5	V1472	L1470-V1472 PolarHBondContact O-N 2.77Å
1471	K	37.5	Very low	37.8	Very low	177 Å²	177	144.4 Å²	144.4	77%	0.77	70%	0.7	S	S	*	*			trans	15.9	92.8	139.5	-66.2	172.8	177.7	57.1	0	119.2
1472	V	31.6	Very low	38.4	Very low	77 Å²	77	144.2 Å²	144.2	47%	0.467	70%	0.696	S	S	.	*			trans	72.6	97.3	139.4	-167.1	0	0	0	0	119.6	L1470 K1475	L1470-V1472 PolarHBondContact O-N 2.77Å; V1472-K1475 HydrophobicContact CG1-CD 4.15Å; V1472-K1475 HydrophobicContact CG1-CG 3.96Å; V1472-K1475 VanDerWaalsContact CG1-NZ 3.29Å
1473	R	26.9	Very low	39.5	Very low	117 Å²	117	140 Å²	140	44%	0.442	69%	0.687	S	S	.	*			trans	-137.2	26.3	139.5	-150.4	-159.9	-95.1	-130.2	9.5	116.9	K1475 E2029 G2030 I2031	R1473-K1475 PolarHBondContact O-N 3Å; R1473-E2029 HydrophobicContact CG-CB 4.3Å; R1473-E2029 PolarHBondContact NE-O 3.02Å; R1473-E2029 PolarHBondContact NH2-O 2.68Å; R1473-G2030 PolarHBondContact NE-O 2.76Å; R1473-G2030 PolarHBondContact NH2-O 3.05Å; R1473-I2031 VanDerWaalsContact CZ-CD1 3.47Å; R1473-I2031 VanDerWaalsContact CZ-CG1 3.49Å
1474	Y	25.9	Very low	40.9	Very low	232 Å²	232	135.6 Å²	135.6	91%	0.91	66%	0.655	S	S	*	*			trans	-75.7	72	140.9	-79.4	-61.2	0	0	0	110.1
1475	K	30.8	Very low	41.5	Very low	120 Å²	120	136.4 Å²	136.4	52%	0.522	65%	0.651	S	S	.	*			trans	-110.7	92.5	164.1	-96.7	-176.7	167.9	63.5	0	109.3	V1472 R1473	V1472-K1475 HydrophobicContact CG1-CD 4.15Å; V1472-K1475 HydrophobicContact CG1-CG 3.96Å; V1472-K1475 VanDerWaalsContact CG1-NZ 3.29Å; R1473-K1475 PolarHBondContact O-N 3Å
1476	K	35.2	Very low	43.3	Very low	196 Å²	196	134.7 Å²	134.7	85%	0.852	64%	0.637	S	S	*	*	S	Bend	trans	101	61.9	142.7	-156.2	-166.7	179.6	-170.3	0	117.6
1477	K	31.7	Very low	44.9	Very low	201 Å²	201	130.8 Å²	130.8	87%	0.874	62%	0.618	S	S	*	*				-138.7	165.4	104.5	-95.6	-176.6	176.9	-175.1	0	108.2
1478	M	35.3	Very low	46.4	Very low	175 Å²	175	125.6 Å²	125.6	86%	0.862	59%	0.591	S	S	*	*			trans	-111.2	130.7	178.7	-67.9	179.1	76.4	0	0	107.5
1479	R	37.1	Very low	47.9	Very low	219 Å²	219	120.1 Å²	120.1	83%	0.826	56%	0.564	S	S	*	*				-85.4	175.7	125.8	-74.8	176.4	158.6	146.5	-16	106.9
1480	K	52.9	Low	49.2	Very low	80 Å²	80	114.6 Å²	114.6	35%	0.348	54%	0.542	S	S	.	.			trans	-69.2	173.7	152.5	-72.5	156.6	93.7	-63.5	0	106.3	P1489 D1491	K1480-P1489 HydrophobicContact CB-CB 3.41Å; K1480-P1489 VanDerWaalsContact CB-CB 3.41Å; K1480-P1489 HydrophobicContact CB-CG 4.05Å; K1480-P1489 HydrophobicContact CD-CB 4.02Å; K1480-P1489 HydrophobicContact CD-CG 3.8Å; K1480-P1489 HydrophobicContact CG-CB 4.26Å; K1480-P1489 VanDerWaalsContact NZ-CG 3.34Å; K1480-P1489 PolarHBondContact NZ-O 2.94Å; K1480-D1491 WeakPolarHBondContact CE-OD1 3.2Å; K1480-D1491 WeakPolarHBondContact CE-OD2 3.32Å; K1480-D1491 IonicContact NZ-OD1 2.76Å; K1480-D1491 PolarHBondContact NZ-OD1 3.27Å; K1480-D1491 IonicContact NZ-OD2 3.93Å; K1480-D1491 PolarHBondContact NZ-OD2 2.78Å
1481	I	53.6	Low	50.8	Low	111 Å²	111	112.9 Å²	112.9	57%	0.569	53%	0.533	S	S	*	.			trans	-84	132.2	159.2	-50.5	172.8	0	0	0	103	S1483 P1489 D1490	I1481-S1483 WeakPolarHBondContact CG2-OG 3.29Å; I1481-P1489 CarbonylContact O-C 3.54Å; I1481-P1489 VanDerWaalsContact O-C 3.3Å; I1481-P1489 WeakPolarHBondContact O-CA 3.48Å; I1481-P1489 WeakPolarHBondContact O-CB 3.08Å; I1481-D1490 VanDerWaalsContact CB-OD1 3.3Å; I1481-D1490 WeakPolarHBondContact CB-OD1 3.46Å; I1481-D1490 WeakPolarHBondContact CB-OD2 3.47Å; I1481-D1490 VanDerWaalsContact CG2-OD1 3.24Å; I1481-D1490 WeakPolarHBondContact CG2-OD1 3.45Å; I1481-D1490 WeakPolarHBondContact CG2-OD2 3.43Å; I1481-D1490 PolarHBondContact O-N 3.16Å
1482	D	64.2	Low	52.2	Low	36 Å²	36	109 Å²	109	19%	0.193	52%	0.524	C	S	.	.			trans	-114.2	115	157.7	-26.4	-87.1	0	0	0	99.2	D1484 P1489	D1482-D1484 WeakPolarHBondContact CA-OD1 3.4Å; D1482-P1489 HydrophobicContact CB-CB 4.35Å; D1482-P1489 WeakPolarHBondContact OD1-CB 3.38Å; D1482-P1489 VanDerWaalsContact OD1-CG 3.23Å; D1482-P1489 WeakPolarHBondContact OD1-CG 3.5Å
1483	S	69.4	Low	53.8	Low	46 Å²	46	107.4 Å²	107.4	32%	0.322	51%	0.513	S	S	.	.	S	Bend	trans	-93.7	-25	-177	-51.6	0	0	0	0	111.7	I1481 D1490 D1496	I1481-S1483 WeakPolarHBondContact CG2-OG 3.29Å; S1483-D1490 PolarHBondContact N-OD1 3.43Å; S1483-D1490 PolarHBondContact OG-OD1 3.28Å; S1483-D1496 VanDerWaalsContact CB-O 3.25Å; S1483-D1496 WeakPolarHBondContact CB-O 3.41Å
1484	D	69	Low	55.7	Low	24 Å²	24	103.5 Å²	103.5	13%	0.128	51%	0.51	C	S	.	.	S	Bend	trans	-77.8	-26	168.3	71.4	-49.3	0	0	0	115.3	D1482 D1486 D1496 D1497 N1498	D1482-D1484 WeakPolarHBondContact CA-OD1 3.4Å; D1484-D1486 PolarHBondContact O-N 2.68Å; D1484-D1486 WeakPolarHBondContact OD2-CA 3.5Å; D1484-D1486 WeakPolarHBondContact OD2-CB 3.43Å; D1484-D1486 PolarHBondContact OD2-N 2.93Å; D1484-D1496 PolarHBondContact N-O 3.37Å; D1484-D1497 VanDerWaalsContact CA-O 3.3Å; D1484-D1497 WeakPolarHBondContact CA-O 3.4Å; D1484-D1497 WeakPolarHBondContact CB-O 3.42Å; D1484-N1498 HydrophobicContact CB-CB 4.07Å; D1484-N1498 WeakPolarHBondContact CB-ND2 3.33Å; D1484-N1498 PolarHBondContact OD2-ND2 2.98Å
1485	F	52.2	Low	57.7	Low	171 Å²	171	93.8 Å²	93.8	75%	0.75	47%	0.473	S	S	*	.	S	Bend	trans	64.9	3.6	-173.1	-61.8	-83.6	0	0	0	119.3	G1487	F1485-G1487 PolarHBondContact O-N 3.31Å
1486	D	74.8	Confident	59.8	Low	109 Å²	109	89.6 Å²	89.6	58%	0.583	46%	0.456	S	S	*	.	S	Bend	trans	-62.3	-29	174.5	119.3	-39.8	0	0	0	112	D1484 V1488	D1484-D1486 PolarHBondContact O-N 2.68Å; D1484-D1486 WeakPolarHBondContact OD2-CA 3.5Å; D1484-D1486 WeakPolarHBondContact OD2-CB 3.43Å; D1484-D1486 PolarHBondContact OD2-N 2.93Å; D1486-V1488 WeakPolarHBondContact OD1-CA 3.25Å; D1486-V1488 WeakPolarHBondContact OD1-CB 3.48Å; D1486-V1488 WeakPolarHBondContact OD1-CG2 3.33Å; D1486-V1488 PolarHBondContact OD1-N 2.73Å
1487	G	70.8	Confident	61.1	Low	47 Å²	47	80.9 Å²	80.9	49%	0.485	42%	0.419	S	S	.	.	S	Bend	trans	106.9	4.7	179.1	0	0	0	0	0	115.3	F1485 P1489	F1485-G1487 PolarHBondContact O-N 3.31Å; G1487-P1489 WeakPolarHBondContact O-CD 3.42Å
1488	V	65.6	Low	62.3	Low	48 Å²	48	75.6 Å²	75.6	29%	0.291	40%	0.401	S	S	.	.			trans	-79.5	107.2	154	178	0	0	0	0	106.6	D1486 V1492 D1493	D1486-V1488 WeakPolarHBondContact OD1-CA 3.25Å; D1486-V1488 WeakPolarHBondContact OD1-CB 3.48Å; D1486-V1488 WeakPolarHBondContact OD1-CG2 3.33Å; D1486-V1488 PolarHBondContact OD1-N 2.73Å; V1488-V1492 HydrophobicContact CG1-CB 3.94Å; V1488-V1492 HydrophobicContact CG1-CG1 3.95Å; V1488-D1493 WeakPolarHBondContact CB-OD2 3.4Å; V1488-D1493 HydrophobicContact CG1-CB 3.89Å; V1488-D1493 VanDerWaalsContact CG1-OD2 3.23Å; V1488-D1493 WeakPolarHBondContact CG1-OD2 3.3Å
1489	P	70.4	Confident	63.5	Low	19 Å²	19	69.3 Å²	69.3	12%	0.123	37%	0.37	C	S	.	.			trans	-98.7	135.1	-167.7	1.3	18.7	0	0	0	111.4	K1480 I1481 D1482 G1487 D1491 V1492	K1480-P1489 HydrophobicContact CB-CB 3.41Å; K1480-P1489 VanDerWaalsContact CB-CB 3.41Å; K1480-P1489 HydrophobicContact CB-CG 4.05Å; K1480-P1489 HydrophobicContact CD-CB 4.02Å; K1480-P1489 HydrophobicContact CD-CG 3.8Å; K1480-P1489 HydrophobicContact CG-CB 4.26Å; K1480-P1489 VanDerWaalsContact NZ-CG 3.34Å; K1480-P1489 PolarHBondContact NZ-O 2.94Å; I1481-P1489 CarbonylContact O-C 3.54Å; I1481-P1489 VanDerWaalsContact O-C 3.3Å; I1481-P1489 WeakPolarHBondContact O-CA 3.48Å; I1481-P1489 WeakPolarHBondContact O-CB 3.08Å; D1482-P1489 HydrophobicContact CB-CB 4.35Å; D1482-P1489 WeakPolarHBondContact OD1-CB 3.38Å; D1482-P1489 VanDerWaalsContact OD1-CG 3.23Å; D1482-P1489 WeakPolarHBondContact OD1-CG 3.5Å; G1487-P1489 WeakPolarHBondContact O-CD 3.42Å; P1489-D1491 CarbonylContact O-C 3.38Å; P1489-D1491 WeakPolarHBondContact O-CA 3.34Å; P1489-D1491 PolarHBondContact O-N 3.03Å; P1489-V1492 PolarHBondContact O-N 3.42Å
1490	D	65	Low	64.6	Low	39 Å²	39	61 Å²	61	21%	0.209	35%	0.353	C	S	.	.	S	Bend	trans	-15.4	-53.4	-166.6	-46.6	13	0	0	0	115.9	I1481 S1483 V1492 D1493 D1496	I1481-D1490 VanDerWaalsContact CB-OD1 3.3Å; I1481-D1490 WeakPolarHBondContact CB-OD1 3.46Å; I1481-D1490 WeakPolarHBondContact CB-OD2 3.47Å; I1481-D1490 VanDerWaalsContact CG2-OD1 3.24Å; I1481-D1490 WeakPolarHBondContact CG2-OD1 3.45Å; I1481-D1490 WeakPolarHBondContact CG2-OD2 3.43Å; I1481-D1490 PolarHBondContact O-N 3.16Å; S1483-D1490 PolarHBondContact N-OD1 3.43Å; S1483-D1490 PolarHBondContact OG-OD1 3.28Å; D1490-V1492 PolarHBondContact O-N 3.01Å; D1490-D1493 PolarHBondContact O-N 3.07Å; D1490-D1496 WeakPolarHBondContact CA-OD1 3.41Å; D1490-D1496 WeakPolarHBondContact CB-OD1 3.47Å
1491	D	67.3	Low	64.8	Low	126 Å²	126	59.2 Å²	59.2	67%	0.674	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	19.9	175	68	-90.4	0	0	0	115.7	K1480 P1489	K1480-D1491 WeakPolarHBondContact CE-OD1 3.2Å; K1480-D1491 WeakPolarHBondContact CE-OD2 3.32Å; K1480-D1491 IonicContact NZ-OD1 2.76Å; K1480-D1491 PolarHBondContact NZ-OD1 3.27Å; K1480-D1491 IonicContact NZ-OD2 3.93Å; K1480-D1491 PolarHBondContact NZ-OD2 2.78Å; P1489-D1491 CarbonylContact O-C 3.38Å; P1489-D1491 WeakPolarHBondContact O-CA 3.34Å; P1489-D1491 PolarHBondContact O-N 3.03Å
1492	V	66.2	Low	65.1	Low	95 Å²	95	55.7 Å²	55.7	58%	0.576	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.1	-20.9	-179.7	-169.9	0	0	0	0	113.2	V1488 P1489 D1490	V1488-V1492 HydrophobicContact CG1-CB 3.94Å; V1488-V1492 HydrophobicContact CG1-CG1 3.95Å; P1489-V1492 PolarHBondContact O-N 3.42Å; D1490-V1492 PolarHBondContact O-N 3.01Å
1493	D	66.1	Low	64.9	Low	44 Å²	44	56.3 Å²	56.3	24%	0.235	33%	0.334	C	S	.	.			trans	-75.6	-177.1	-177.6	-135	-46.1	0	0	0	112.6	V1488 D1490 D1495	V1488-D1493 WeakPolarHBondContact CB-OD2 3.4Å; V1488-D1493 HydrophobicContact CG1-CB 3.89Å; V1488-D1493 VanDerWaalsContact CG1-OD2 3.23Å; V1488-D1493 WeakPolarHBondContact CG1-OD2 3.3Å; D1490-D1493 PolarHBondContact O-N 3.07Å; D1493-D1495 PolarHBondContact OD1-N 3.43Å
1494	G	65.5	Low	64.4	Low	36 Å²	36	60.1 Å²	60.1	37%	0.371	35%	0.35	S	S	.	.	S	Bend	trans	-135.8	5.3	164.3	0	0	0	0	0	113.9	P1502 D1503	G1494-P1502 WeakPolarHBondContact O-CB 3.29Å; G1494-D1503 VanDerWaalsContact C-OD1 3.31Å; G1494-D1503 WeakPolarHBondContact CA-OD2 3.41Å; G1494-D1503 PolarHBondContact O-N 2.82Å; G1494-D1503 VanDerWaalsContact O-N 3.15Å
1495	D	68.4	Low	64	Low	27 Å²	27	63 Å²	63	14%	0.144	36%	0.363	C	S	.	.	S	Bend	trans	-150.2	79.4	177.8	-151	1.5	0	0	0	104.1	D1493 D1497 N1498 P1502 D1503	D1493-D1495 PolarHBondContact OD1-N 3.43Å; D1495-D1497 PolarHBondContact O-N 2.82Å; D1495-N1498 PolarHBondContact O-N 2.84Å; D1495-P1502 WeakPolarHBondContact OD1-CA 3.26Å; D1495-D1503 PolarHBondContact N-OD1 3.48Å
1496	D	74.6	Confident	64.4	Low	32 Å²	32	55.1 Å²	55.1	17%	0.171	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-17	-160.2	-107.8	2.2	0	0	0	115.4	S1483 D1484 D1490 D1503	S1483-D1496 VanDerWaalsContact CB-O 3.25Å; S1483-D1496 WeakPolarHBondContact CB-O 3.41Å; D1484-D1496 PolarHBondContact N-O 3.37Å; D1490-D1496 WeakPolarHBondContact CA-OD1 3.41Å; D1490-D1496 WeakPolarHBondContact CB-OD1 3.47Å; D1496-D1503 PolarHBondContact N-OD1 3.21Å
1497	D	63.8	Low	63.9	Low	14 Å²	14	51.1 Å²	51.1	8%	0.075	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-4.2	-178.1	37.6	37.7	0	0	0	116.7	D1484 D1495 D1499 H2157 K2159	D1484-D1497 VanDerWaalsContact CA-O 3.3Å; D1484-D1497 WeakPolarHBondContact CA-O 3.4Å; D1484-D1497 WeakPolarHBondContact CB-O 3.42Å; D1495-D1497 PolarHBondContact O-N 2.82Å; D1497-D1499 VanDerWaalsContact C-N 3.28Å; D1497-D1499 WeakPolarHBondContact CB-OD1 3.19Å; D1497-D1499 PolarHBondContact O-N 3.46Å; D1497-H2157 WeakPolarHBondContact CB-CE1 3.43Å; D1497-H2157 WeakPolarHBondContact CB-ND1 3.48Å; D1497-H2157 WeakPolarHBondContact CB-NE2 3.33Å; D1497-H2157 VanDerWaalsContact CG-CB 3.41Å; D1497-H2157 PolarHBondContact N-NE2 3.3Å; D1497-H2157 WeakPolarHBondContact OD1-CB 3.46Å; D1497-H2157 IonicContact OD1-CD2 2.97Å; D1497-H2157 PolarHBondContact OD1-CD2 2.94Å; D1497-H2157 IonicContact OD1-CE1 2.95Å; D1497-H2157 PolarHBondContact OD1-CE1 3.45Å; D1497-H2157 IonicContact OD1-CG 3.24Å; D1497-H2157 IonicContact OD1-ND1 2.83Å; D1497-H2157 PolarHBondContact OD1-ND1 3.4Å; D1497-H2157 IonicContact OD1-NE2 2.65Å; D1497-H2157 PolarHBondContact OD1-NE2 2.99Å; D1497-H2157 IonicContact OD2-CD2 3.1Å; D1497-H2157 PolarHBondContact OD2-CD2 3.48Å; D1497-H2157 IonicContact OD2-CE1 3.37Å; D1497-H2157 PolarHBondContact OD2-CE1 3.16Å; D1497-H2157 IonicContact OD2-CG 3.32Å; D1497-H2157 IonicContact OD2-ND1 3.41Å; D1497-H2157 PolarHBondContact OD2-ND1 3.33Å; D1497-H2157 IonicContact OD2-NE2 3.09Å; D1497-H2157 PolarHBondContact OD2-NE2 2.9Å; D1497-K2159 VanDerWaalsContact OD2-CE 3.25Å; D1497-K2159 WeakPolarHBondContact OD2-CE 3.21Å; D1497-K2159 IonicContact OD2-NZ 2.74Å; D1497-K2159 PolarHBondContact OD2-NZ 3.45Å
1498	N	56.7	Low	63.4	Low	89 Å²	89	54.4 Å²	54.4	48%	0.476	31%	0.311	S	S	.	.			trans	68.4	-2.8	-175.5	-90.8	-59.4	0	0	0	117.7	D1484 D1495 G1500	D1484-N1498 HydrophobicContact CB-CB 4.07Å; D1484-N1498 WeakPolarHBondContact CB-ND2 3.33Å; D1484-N1498 PolarHBondContact OD2-ND2 2.98Å; D1495-N1498 PolarHBondContact O-N 2.84Å; N1498-G1500 PolarHBondContact O-N 2.87Å
1499	D	59.4	Low	63.1	Low	43 Å²	43	57.8 Å²	57.8	23%	0.23	33%	0.327	C	S	.	.	S	Bend	trans	-80.9	113.5	171.2	41.9	-62.4	0	0	0	112	D1497 I1501 L2156 H2157	D1497-D1499 VanDerWaalsContact C-N 3.28Å; D1497-D1499 WeakPolarHBondContact CB-OD1 3.19Å; D1497-D1499 PolarHBondContact O-N 3.46Å; D1499-I1501 VanDerWaalsContact C-N 3.27Å; D1499-I1501 PolarHBondContact O-N 2.82Å; D1499-L2156 CarbonylContact C-O 3.55Å; D1499-L2156 HydrophobicContact CB-CB 3.92Å; D1499-L2156 CarbonylContact O-C 3.52Å; D1499-L2156 VanDerWaalsContact OD2-C 3.27Å; D1499-L2156 VanDerWaalsContact OD2-CB 3.26Å; D1499-L2156 WeakPolarHBondContact OD2-CB 3.37Å; D1499-L2156 WeakPolarHBondContact OD2-CD2 3.16Å; D1499-H2157 VanDerWaalsContact CG-ND1 3.34Å; D1499-H2157 WeakPolarHBondContact O-CB 3.44Å; D1499-H2157 PolarHBondContact O-N 2.65Å; D1499-H2157 IonicContact OD1-CG 2.69Å; D1499-H2157 IonicContact OD1-ND1 3.65Å; D1499-H2157 PolarHBondContact OD1-ND1 2.83Å; D1499-H2157 WeakPolarHBondContact OD2-CA 3.34Å; D1499-H2157 VanDerWaalsContact OD2-CB 3.31Å; D1499-H2157 WeakPolarHBondContact OD2-CB 3.43Å; D1499-H2157 IonicContact OD2-CG 3.02Å; D1499-H2157 PolarHBondContact OD2-N 3.32Å; D1499-H2157 VanDerWaalsContact OD2-N 3.08Å; D1499-H2157 IonicContact OD2-ND1 3.14Å; D1499-H2157 PolarHBondContact OD2-ND1 2.89Å
1500	G	60.6	Low	62.3	Low	44 Å²	44	62.8 Å²	62.8	45%	0.454	35%	0.347	S	S	.	.	S	Bend	trans	44.1	-43.6	152.7	0	0	0	0	0	123.3	N1498 P1502 L2156	N1498-G1500 PolarHBondContact O-N 2.87Å; G1500-P1502 VanDerWaalsContact O-CD 3.22Å; G1500-P1502 WeakPolarHBondContact O-CD 3.3Å; G1500-L2156 CarbonylContact C-O 3.58Å; G1500-L2156 WeakPolarHBondContact CA-O 3.44Å; G1500-L2156 PolarHBondContact N-O 3.23Å
1501	I	57.2	Low	62	Low	43 Å²	43	61.6 Å²	61.6	22%	0.221	34%	0.34	C	S	.	.	S	Bend	trans	-116.9	86.8	-167.7	-56.2	171.9	0	0	0	109.5	D1499 M1505 L2156	D1499-I1501 VanDerWaalsContact C-N 3.27Å; D1499-I1501 PolarHBondContact O-N 2.82Å; I1501-M1505 HydrophobicContact CG2-CB 3.45Å; I1501-M1505 VanDerWaalsContact CG2-CB 3.45Å; I1501-M1505 HydrophobicContact CG2-CE 4.15Å; I1501-L2156 WeakPolarHBondContact CG1-O 3.1Å; I1501-L2156 PolarHBondContact N-O 2.86Å; I1501-L2156 VanDerWaalsContact N-O 3.11Å
1502	P	61	Low	61.5	Low	38 Å²	38	58 Å²	58	25%	0.247	32%	0.319	C	S	.	.			trans	-43.9	161.2	-178.3	-36.3	36.9	0	0	0	116.4	G1494 D1495 G1500 I1504 M1505 E1506	G1494-P1502 WeakPolarHBondContact O-CB 3.29Å; D1495-P1502 WeakPolarHBondContact OD1-CA 3.26Å; G1500-P1502 VanDerWaalsContact O-CD 3.22Å; G1500-P1502 WeakPolarHBondContact O-CD 3.3Å; P1502-I1504 HydrophobicContact CB-CD1 4.08Å; P1502-I1504 HydrophobicContact CB-CG1 3.85Å; P1502-I1504 PolarHBondContact O-N 3.13Å; P1502-M1505 PolarHBondContact O-N 3.26Å; P1502-E1506 PolarHBondContact O-N 3.27Å
1503	D	59.6	Low	61.2	Low	48 Å²	48	54.2 Å²	54.2	26%	0.257	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-40.2	-16.5	170.8	-69.5	1.9	0	0	0	116.2	G1494 D1495 D1496 E1506 N2160	G1494-D1503 VanDerWaalsContact C-OD1 3.31Å; G1494-D1503 WeakPolarHBondContact CA-OD2 3.41Å; G1494-D1503 PolarHBondContact O-N 2.82Å; G1494-D1503 VanDerWaalsContact O-N 3.15Å; D1495-D1503 PolarHBondContact N-OD1 3.48Å; D1496-D1503 PolarHBondContact N-OD1 3.21Å; D1503-E1506 WeakPolarHBondContact CA-OE2 3.18Å; D1503-N2160 PolarHBondContact O-ND2 2.85Å
1504	I	58	Low	60.9	Low	127 Å²	127	52.4 Å²	52.4	65%	0.651	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-17	-172.9	-16	166.2	0	0	0	113.1	P1502	P1502-I1504 HydrophobicContact CB-CD1 4.08Å; P1502-I1504 HydrophobicContact CB-CG1 3.85Å; P1502-I1504 PolarHBondContact O-N 3.13Å
1505	M	61.9	Low	60.8	Low	83 Å²	83	53 Å²	53	41%	0.409	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-38.4	-171.6	-60.2	-142.6	-49.6	0	0	113.6	I1501 P1502 P1514	I1501-M1505 HydrophobicContact CG2-CB 3.45Å; I1501-M1505 VanDerWaalsContact CG2-CB 3.45Å; I1501-M1505 HydrophobicContact CG2-CE 4.15Å; P1502-M1505 PolarHBondContact O-N 3.26Å; M1505-P1514 WeakPolarHBondContact O-CB 3.34Å; M1505-P1514 VanDerWaalsContact O-CG 3.3Å; M1505-P1514 WeakPolarHBondContact O-CG 3.14Å
1506	E	58.7	Low	60.4	Low	7 Å²	7	55.4 Å²	55.4	3%	0.033	29%	0.29	C	S	.	.	S	Bend	trans	-13.9	164.9	154.9	-89.4	-159.4	149.4	0	0	120.6	P1502 D1503 H2157 K2159 N2160	P1502-E1506 PolarHBondContact O-N 3.27Å; D1503-E1506 WeakPolarHBondContact CA-OE2 3.18Å; E1506-H2157 IonicContact OE1-CD2 3.34Å; E1506-H2157 PolarHBondContact OE1-CD2 3.3Å; E1506-H2157 VanDerWaalsContact OE1-CD2 3.24Å; E1506-K2159 HydrophobicContact CB-CB 4.32Å; E1506-K2159 VanDerWaalsContact CD-CA 3.44Å; E1506-K2159 HydrophobicContact CG-CB 3.99Å; E1506-K2159 WeakPolarHBondContact OE1-CB 3.13Å; E1506-K2159 IonicContact OE1-NZ 3.55Å; E1506-K2159 PolarHBondContact OE1-NZ 2.84Å; E1506-K2159 WeakPolarHBondContact OE2-CA 3.28Å; E1506-K2159 VanDerWaalsContact OE2-CB 3.26Å; E1506-K2159 WeakPolarHBondContact OE2-CB 3.49Å; E1506-N2160 HydrophobicContact CB-CB 4.01Å; E1506-N2160 VanDerWaalsContact CB-N 3.28Å; E1506-N2160 CarbonylContact O-C 3.54Å; E1506-N2160 VanDerWaalsContact O-C 3.25Å; E1506-N2160 WeakPolarHBondContact O-CA 3.43Å; E1506-N2160 PolarHBondContact O-N 2.84Å; E1506-N2160 PolarHBondContact OE2-N 3.34Å; E1506-N2160 PolarHBondContact OE2-ND2 3.21Å
1507	D	64.6	Low	59.8	Low	25 Å²	25	54.2 Å²	54.2	13%	0.134	28%	0.284	C	S	.	.			trans	-122.3	113	171.5	170.4	-46.3	0	0	0	119.3	D1509 K1510 D1511 Q1512 K2159 I2161	D1507-D1509 PolarHBondContact O-N 3.35Å; D1507-D1509 PolarHBondContact OD1-N 2.78Å; D1507-K1510 WeakPolarHBondContact OD1-CA 3.16Å; D1507-K1510 PolarHBondContact OD1-N 2.86Å; D1507-K1510 VanDerWaalsContact OD2-CA 3.31Å; D1507-K1510 WeakPolarHBondContact OD2-CA 3.36Å; D1507-D1511 PolarHBondContact OD2-N 2.91Å; D1507-Q1512 WeakPolarHBondContact OD2-CA 3.48Å; D1507-Q1512 PolarHBondContact OD2-N 3.28Å; D1507-K2159 CarbonylContact O-C 3.45Å; D1507-K2159 VanDerWaalsContact O-C 3.31Å; D1507-K2159 WeakPolarHBondContact O-CA 3.19Å; D1507-K2159 PolarHBondContact O-N 3.45Å; D1507-I2161 HydrophobicContact CB-CB 4.46Å; D1507-I2161 HydrophobicContact CB-CD1 4.05Å; D1507-I2161 HydrophobicContact CB-CG1 4.17Å; D1507-I2161 VanDerWaalsContact CG-CG1 3.47Å; D1507-I2161 WeakPolarHBondContact OD2-CD1 3.16Å; D1507-I2161 VanDerWaalsContact OD2-CG1 3.26Å; D1507-I2161 WeakPolarHBondContact OD2-CG1 3.33Å
1508	E	60.3	Low	59.7	Low	116 Å²	116	56 Å²	56	54%	0.542	31%	0.306	S	S	.	.	S	Bend	trans	-73.8	2.3	-174.9	-130.1	-170.2	-179.6	0	0	115.3	K2159 N2160 I2161 K2163	E1508-K2159 VanDerWaalsContact CA-C 3.43Å; E1508-K2159 WeakPolarHBondContact CA-O 3.39Å; E1508-K2159 VanDerWaalsContact CB-O 3.29Å; E1508-K2159 WeakPolarHBondContact CB-O 3.22Å; E1508-K2159 VanDerWaalsContact CG-O 3.27Å; E1508-K2159 WeakPolarHBondContact CG-O 3Å; E1508-K2159 PolarHBondContact N-O 2.72Å; E1508-N2160 VanDerWaalsContact N-CA 3.25Å; E1508-I2161 VanDerWaalsContact CA-CG2 3.47Å; E1508-I2161 HydrophobicContact CB-CB 4.1Å; E1508-I2161 HydrophobicContact CB-CG2 3.35Å; E1508-K2163 WeakPolarHBondContact OE2-CE 3.46Å; E1508-K2163 IonicContact OE2-NZ 3.64Å; E1508-K2163 PolarHBondContact OE2-NZ 2.83Å
1509	D	59.8	Low	60.1	Low	118 Å²	118	51.9 Å²	51.9	63%	0.631	28%	0.284	S	S	*	.	S	Bend	trans	-177.1	32.3	-164.4	-158.2	-142	0	0	0	117.5	D1507 I2161 K2162	D1507-D1509 PolarHBondContact O-N 3.35Å; D1507-D1509 PolarHBondContact OD1-N 2.78Å; D1509-I2161 HydrophobicContact CB-CG2 3.71Å; D1509-K2162 HydrophobicContact CB-CD 3.82Å; D1509-K2162 PolarHBondContact O-NZ 3.32Å; D1509-K2162 WeakPolarHBondContact OD1-CD 3.29Å
1510	K	54.2	Low	60	Low	125 Å²	125	50 Å²	50	54%	0.543	27%	0.274	S	S	.	.	S	Bend	trans	16.5	91.5	-162.1	-113.3	-82.6	-171.2	-178.5	0	114.9	D1507 Q1512 D1548 K2162	D1507-K1510 WeakPolarHBondContact OD1-CA 3.16Å; D1507-K1510 PolarHBondContact OD1-N 2.86Å; D1507-K1510 VanDerWaalsContact OD2-CA 3.31Å; D1507-K1510 WeakPolarHBondContact OD2-CA 3.36Å; K1510-Q1512 HydrophobicContact CD-CG 3.52Å; K1510-D1548 IonicContact NZ-OD1 2.63Å; K1510-D1548 PolarHBondContact NZ-OD1 2.75Å; K1510-D1548 IonicContact NZ-OD2 2.39Å; K1510-D1548 PolarHBondContact NZ-OD2 3.5Å; K1510-K2162 VanDerWaalsContact C-NZ 3.34Å
1511	D	59	Low	59.9	Low	14 Å²	14	55.5 Å²	55.5	8%	0.075	28%	0.281	C	S	.	.	S	Bend	trans	-137.5	18.8	148	82.7	-19.4	0	0	0	112.4	D1507 I1513 R1521 I2161 K2162	D1507-D1511 PolarHBondContact OD2-N 2.91Å; D1511-I1513 VanDerWaalsContact O-CG1 3.25Å; D1511-I1513 WeakPolarHBondContact O-CG1 3.26Å; D1511-I1513 PolarHBondContact O-N 2.79Å; D1511-R1521 HydrophobicContact CB-CB 4.18Å; D1511-R1521 WeakPolarHBondContact OD2-CB 3.48Å; D1511-R1521 PolarHBondContact OD2-N 2.78Å; D1511-I2161 WeakPolarHBondContact OD1-CD1 3.3Å; D1511-I2161 VanDerWaalsContact OD1-CG1 3.31Å; D1511-I2161 WeakPolarHBondContact OD1-CG1 3.23Å; D1511-K2162 WeakPolarHBondContact OD1-CB 3.37Å; D1511-K2162 VanDerWaalsContact OD1-CE 3.28Å; D1511-K2162 WeakPolarHBondContact OD1-CE 3.2Å; D1511-K2162 IonicContact OD1-NZ 3.35Å; D1511-K2162 PolarHBondContact OD1-NZ 2.87Å; D1511-K2162 WeakPolarHBondContact OD2-CB 3.47Å; D1511-K2162 VanDerWaalsContact OD2-CE 3.24Å; D1511-K2162 WeakPolarHBondContact OD2-CE 3.32Å; D1511-K2162 IonicContact OD2-NZ 2.73Å
1512	Q	55.2	Low	60.1	Low	49 Å²	49	54.4 Å²	54.4	23%	0.229	28%	0.276	C	S	.	.	S	Bend	trans	56.3	13.8	168.9	-62.3	103.6	-64	0	0	116.9	D1507 K1510 P1514 D1548	D1507-Q1512 WeakPolarHBondContact OD2-CA 3.48Å; D1507-Q1512 PolarHBondContact OD2-N 3.28Å; K1510-Q1512 HydrophobicContact CD-CG 3.52Å; Q1512-P1514 WeakPolarHBondContact O-CD 3.17Å; Q1512-D1548 WeakPolarHBondContact CB-O 3.49Å; Q1512-D1548 VanDerWaalsContact CD-O 3.28Å; Q1512-D1548 WeakPolarHBondContact CG-O 2.87Å; Q1512-D1548 WeakPolarHBondContact CG-OD1 3.45Å; Q1512-D1548 PolarHBondContact NE2-O 2.96Å; Q1512-D1548 PolarHBondContact NE2-OD2 3.19Å
1513	I	59.9	Low	60.2	Low	16 Å²	16	53.8 Å²	53.8	8%	0.082	27%	0.271	C	S	.	.			trans	-110.6	83.8	-178	-64.4	162.6	0	0	0	109.2	D1511 L1517 L1519 F1524 I2161	D1511-I1513 VanDerWaalsContact O-CG1 3.25Å; D1511-I1513 WeakPolarHBondContact O-CG1 3.26Å; D1511-I1513 PolarHBondContact O-N 2.79Å; I1513-L1517 HydrophobicContact CG2-CB 4.19Å; I1513-L1517 HydrophobicContact CG2-CD1 3.97Å; I1513-L1519 VanDerWaalsContact CG2-C 3.49Å; I1513-L1519 HydrophobicContact CG2-CB 3.22Å; I1513-F1524 HydrophobicContact CD1-CD2 4.04Å; I1513-I2161 HydrophobicContact CB-CD1 4.41Å; I1513-I2161 WeakPolarHBondContact O-CD1 3.32Å
1514	P	61	Low	60	Low	6 Å²	6	55.8 Å²	55.8	4%	0.039	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-36.6	138.7	-176.4	-35.7	32.2	0	0	0	114.8	M1505 Q1512 F1516 L1517 W1542	M1505-P1514 WeakPolarHBondContact O-CB 3.34Å; M1505-P1514 VanDerWaalsContact O-CG 3.3Å; M1505-P1514 WeakPolarHBondContact O-CG 3.14Å; Q1512-P1514 WeakPolarHBondContact O-CD 3.17Å; P1514-F1516 HydrophobicContact CB-CD1 3.41Å; P1514-F1516 VanDerWaalsContact CB-CD1 3.41Å; P1514-F1516 HydrophobicContact CB-CE1 3.67Å; P1514-F1516 HydrophobicContact CG-CD1 4.37Å; P1514-F1516 HydrophobicContact CG-CE1 4.15Å; P1514-F1516 PolarHBondContact O-N 2.89Å; P1514-L1517 HydrophobicContact CB-CG 4.25Å; P1514-L1517 VanDerWaalsContact O-CB 3.31Å; P1514-L1517 WeakPolarHBondContact O-CB 3.15Å; P1514-L1517 PolarHBondContact O-N 3.1Å; P1514-W1542 HydrophobicContact CG-CH2 3.31Å; P1514-W1542 HydrophobicContact CG-CZ2 3.84Å; P1514-W1542 HydrophobicContact CG-CZ3 3.9Å
1515	D	61.9	Low	60.1	Low	50 Å²	50	55.4 Å²	55.4	27%	0.267	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-53.9	-31.9	-178	-119.6	-15.3	0	0	0	112	L1517 G1518 N2160 I2161 K2162 K2163	D1515-L1517 VanDerWaalsContact C-N 3.3Å; D1515-L1517 PolarHBondContact O-N 3.3Å; D1515-G1518 PolarHBondContact O-N 3.3Å; D1515-G1518 VanDerWaalsContact O-N 3.1Å; D1515-N2160 VanDerWaalsContact CB-O 3.24Å; D1515-N2160 WeakPolarHBondContact CB-O 3.31Å; D1515-N2160 PolarHBondContact N-O 2.7Å; D1515-I2161 VanDerWaalsContact CG-C 3.47Å; D1515-I2161 PolarHBondContact OD2-N 2.8Å; D1515-K2162 PolarHBondContact OD1-N 3.32Å; D1515-K2163 WeakPolarHBondContact OD1-CD 3.08Å; D1515-K2163 IonicContact OD1-NZ 3.77Å; D1515-K2163 WeakPolarHBondContact OD2-CD 3.34Å; D1515-K2163 IonicContact OD2-NZ 2.7Å; D1515-K2163 PolarHBondContact OD2-NZ 3.5Å
1516	F	61.6	Low	60	Low	76 Å²	76	55.2 Å²	55.2	33%	0.333	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-63.9	-32.9	177.6	96.7	-86.2	0	0	0	112.2	P1514 G1518 R1540	P1514-F1516 HydrophobicContact CB-CD1 3.41Å; P1514-F1516 VanDerWaalsContact CB-CD1 3.41Å; P1514-F1516 HydrophobicContact CB-CE1 3.67Å; P1514-F1516 HydrophobicContact CG-CD1 4.37Å; P1514-F1516 HydrophobicContact CG-CE1 4.15Å; P1514-F1516 PolarHBondContact O-N 2.89Å; F1516-G1518 PolarHBondContact O-N 3.14Å; F1516-R1540 HydrophobicContact CE2-CB 4.12Å; F1516-R1540 VanDerWaalsContact CE2-CD 3.44Å; F1516-R1540 HydrophobicContact CE2-CG 4.01Å; F1516-R1540 HydrophobicContact CZ-CB 4.49Å; F1516-R1540 PolarHBondContact O-NH1 2.88Å; F1516-R1540 PolarHBondContact O-NH2 3.19Å
1517	L	62.4	Low	59.4	Low	8 Å²	8	58.3 Å²	58.3	4%	0.042	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-57.2	-33.2	173.5	-67	-172.6	0	0	0	111.5	I1513 P1514 D1515 L1519 M1537 R1540 W1542	I1513-L1517 HydrophobicContact CG2-CB 4.19Å; I1513-L1517 HydrophobicContact CG2-CD1 3.97Å; P1514-L1517 HydrophobicContact CB-CG 4.25Å; P1514-L1517 VanDerWaalsContact O-CB 3.31Å; P1514-L1517 WeakPolarHBondContact O-CB 3.15Å; P1514-L1517 PolarHBondContact O-N 3.1Å; D1515-L1517 VanDerWaalsContact C-N 3.3Å; D1515-L1517 PolarHBondContact O-N 3.3Å; L1517-L1519 HydrophobicContact CB-CB 4.21Å; L1517-L1519 PolarHBondContact O-N 3.03Å; L1517-L1519 VanDerWaalsContact O-N 3.17Å; L1517-M1537 HydrophobicContact CD1-CG 4.42Å; L1517-R1540 VanDerWaalsContact C-NH1 3.33Å; L1517-R1540 VanDerWaalsContact CA-NH1 3.32Å; L1517-R1540 PolarHBondContact O-NH1 2.9Å; L1517-W1542 HydrophobicContact CD1-CE3 4.09Å; L1517-W1542 HydrophobicContact CD1-CZ3 3.9Å
1518	G	61.1	Low	59.2	Low	51 Å²	51	58.6 Å²	58.6	53%	0.526	31%	0.309	S	S	.	.			trans	64.2	11.8	-174.1	0	0	0	0	0	113.2	D1515 F1516	D1515-G1518 PolarHBondContact O-N 3.3Å; D1515-G1518 VanDerWaalsContact O-N 3.1Å; F1516-G1518 PolarHBondContact O-N 3.14Å
1519	L	65.1	Low	58.9	Low	2 Å²	2	56 Å²	56	1%	0.01	30%	0.304	C	S	.	.			trans	-83.8	171.4	166	-87.2	169.5	0	0	0	109.6	I1513 L1517 L1533 R1536	I1513-L1519 VanDerWaalsContact CG2-C 3.49Å; I1513-L1519 HydrophobicContact CG2-CB 3.22Å; L1517-L1519 HydrophobicContact CB-CB 4.21Å; L1517-L1519 PolarHBondContact O-N 3.03Å; L1517-L1519 VanDerWaalsContact O-N 3.17Å; L1519-L1533 HydrophobicContact CD1-CD1 3.73Å; L1519-L1533 HydrophobicContact CD1-CG 4.19Å; L1519-L1533 HydrophobicContact CD2-CD1 4.25Å; L1519-R1536 HydrophobicContact CD1-CB 3.97Å; L1519-R1536 HydrophobicContact CD1-CG 4.47Å
1520	T	57.8	Low	58.7	Low	5 Å²	5	54.6 Å²	54.6	3%	0.031	30%	0.3	C	S	.	.			trans	-159	146.5	-172	90.1	0	0	0	0	108.4	T1522 D1523 F1524 K2162	T1520-T1522 PolarHBondContact O-N 3.39Å; T1520-T1522 WeakPolarHBondContact OG1-CA 3.47Å; T1520-T1522 PolarHBondContact OG1-N 3.36Å; T1520-T1522 PolarHBondContact OG1-OG1 3.3Å; T1520-D1523 VanDerWaalsContact CG2-OD2 3.27Å; T1520-D1523 WeakPolarHBondContact CG2-OD2 3.23Å; T1520-D1523 PolarHBondContact O-N 2.93Å; T1520-D1523 PolarHBondContact OG1-N 3.45Å; T1520-D1523 PolarHBondContact OG1-OD2 3.2Å; T1520-F1524 PolarHBondContact O-N 2.84Å; T1520-F1524 VanDerWaalsContact O-N 3.11Å; T1520-K2162 WeakPolarHBondContact CB-O 3.5Å; T1520-K2162 WeakPolarHBondContact CG2-O 3.34Å
1521	R	58.4	Low	59.1	Low	159 Å²	159	57.3 Å²	57.3	60%	0.6	31%	0.312	S	S	*	.	H	α-helix	trans	-50.5	-12.8	166	177.4	169.8	-163.2	168.8	11.8	114.3	D1511 L1525	D1511-R1521 HydrophobicContact CB-CB 4.18Å; D1511-R1521 WeakPolarHBondContact OD2-CB 3.48Å; D1511-R1521 PolarHBondContact OD2-N 2.78Å; R1521-L1525 HydrophobicContact CG-CD1 4.34Å; R1521-L1525 WeakPolarHBondContact O-CB 3.34Å; R1521-L1525 WeakPolarHBondContact O-CD1 3.32Å; R1521-L1525 WeakPolarHBondContact O-CG 3.32Å; R1521-L1525 PolarHBondContact O-N 3.01Å; R1521-L1525 VanDerWaalsContact O-N 3.13Å
1522	T	60.4	Low	59.6	Low	20 Å²	20	59.4 Å²	59.4	12%	0.123	32%	0.321	C	S	.	.	H	α-helix	trans	-106.4	0.2	-176.4	69.4	0	0	0	0	115.6	T1520 K2165 Q2166	T1520-T1522 PolarHBondContact O-N 3.39Å; T1520-T1522 WeakPolarHBondContact OG1-CA 3.47Å; T1520-T1522 PolarHBondContact OG1-N 3.36Å; T1520-T1522 PolarHBondContact OG1-OG1 3.3Å; T1522-K2165 VanDerWaalsContact CB-CD 3.41Å; T1522-K2165 VanDerWaalsContact CB-NZ 3.29Å; T1522-K2165 HydrophobicContact CG2-CD 3.78Å; T1522-K2165 WeakPolarHBondContact OG1-CB 3.09Å; T1522-K2165 WeakPolarHBondContact OG1-CD 3.1Å; T1522-K2165 WeakPolarHBondContact OG1-CG 3.16Å; T1522-Q2166 PolarHBondContact O-NE2 3Å
1523	D	64.1	Low	59.9	Low	25 Å²	25	57.3 Å²	57.3	13%	0.134	31%	0.312	C	S	.	.	H	α-helix	trans	-103.3	-26.7	159.9	-59	-70.6	0	0	0	110.4	T1520 K1526 V1528 K2165 Q2166	T1520-D1523 VanDerWaalsContact CG2-OD2 3.27Å; T1520-D1523 WeakPolarHBondContact CG2-OD2 3.23Å; T1520-D1523 PolarHBondContact O-N 2.93Å; T1520-D1523 PolarHBondContact OG1-N 3.45Å; T1520-D1523 PolarHBondContact OG1-OD2 3.2Å; D1523-K1526 HydrophobicContact CB-CD 4.12Å; D1523-K1526 VanDerWaalsContact O-CB 3.25Å; D1523-K1526 WeakPolarHBondContact O-CB 3.24Å; D1523-K1526 WeakPolarHBondContact O-CD 3.32Å; D1523-K1526 VanDerWaalsContact O-CG 3.26Å; D1523-K1526 WeakPolarHBondContact O-CG 3.35Å; D1523-K1526 WeakPolarHBondContact OD1-CE 3.17Å; D1523-V1528 VanDerWaalsContact O-CG2 3.26Å; D1523-V1528 WeakPolarHBondContact O-CG2 3.32Å; D1523-K2165 PolarHBondContact OD2-N 3.35Å; D1523-Q2166 PolarHBondContact OD1-N 2.9Å
1524	F	55.3	Low	59.9	Low	89 Å²	89	58.8 Å²	58.8	39%	0.39	32%	0.32	S	S	.	.	H	α-helix	trans	-56.1	-50.4	158.7	-132	-63.2	0	0	0	111.9	I1513 T1520 K1526 G1527 L1533	I1513-F1524 HydrophobicContact CD1-CD2 4.04Å; T1520-F1524 PolarHBondContact O-N 2.84Å; T1520-F1524 VanDerWaalsContact O-N 3.11Å; F1524-K1526 PolarHBondContact O-N 3.01Å; F1524-G1527 PolarHBondContact O-N 3.46Å; F1524-L1533 HydrophobicContact CD2-CD1 3.69Å; F1524-L1533 HydrophobicContact CD2-CD2 4.36Å; F1524-L1533 HydrophobicContact CE2-CD1 3.65Å; F1524-L1533 HydrophobicContact CE2-CD2 3.47Å; F1524-L1533 VanDerWaalsContact CE2-CD2 3.47Å; F1524-L1533 HydrophobicContact CE2-CG 4.2Å; F1524-L1533 HydrophobicContact CZ-CD1 4.42Å; F1524-L1533 HydrophobicContact CZ-CD2 3.87Å
1525	L	59.7	Low	60.1	Low	120 Å²	120	66.5 Å²	66.5	63%	0.628	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	49.9	172.6	-71	166.8	0	0	0	114	R1521	R1521-L1525 HydrophobicContact CG-CD1 4.34Å; R1521-L1525 WeakPolarHBondContact O-CB 3.34Å; R1521-L1525 WeakPolarHBondContact O-CD1 3.32Å; R1521-L1525 WeakPolarHBondContact O-CG 3.32Å; R1521-L1525 PolarHBondContact O-N 3.01Å; R1521-L1525 VanDerWaalsContact O-N 3.13Å
1526	K	58.9	Low	60.4	Low	78 Å²	78	67.8 Å²	67.8	34%	0.339	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.1	-22.2	175.6	-62.6	-177.8	160.7	-67.3	0	114.4	D1523 F1524 N2167	D1523-K1526 HydrophobicContact CB-CD 4.12Å; D1523-K1526 VanDerWaalsContact O-CB 3.25Å; D1523-K1526 WeakPolarHBondContact O-CB 3.24Å; D1523-K1526 WeakPolarHBondContact O-CD 3.32Å; D1523-K1526 VanDerWaalsContact O-CG 3.26Å; D1523-K1526 WeakPolarHBondContact O-CG 3.35Å; D1523-K1526 WeakPolarHBondContact OD1-CE 3.17Å; F1524-K1526 PolarHBondContact O-N 3.01Å; K1526-N2167 PolarHBondContact NZ-OD1 3.34Å
1527	G	46.5	Very low	60.5	Low	73 Å²	73	64.3 Å²	64.3	75%	0.753	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	48.3	-152.1	0	0	0	0	0	111.7	F1524	F1524-G1527 PolarHBondContact O-N 3.46Å
1528	V	61	Low	60.4	Low	30 Å²	30	68.5 Å²	68.5	18%	0.182	36%	0.357	C	S	.	.			trans	-65.4	119.2	139.1	165.7	0	0	0	0	104.2	D1523 E1532 L1533	D1523-V1528 VanDerWaalsContact O-CG2 3.26Å; D1523-V1528 WeakPolarHBondContact O-CG2 3.32Å; V1528-E1532 HydrophobicContact CG1-CB 4Å; V1528-E1532 HydrophobicContact CG1-CG 3.89Å; V1528-L1533 HydrophobicContact CG1-CB 4.43Å; V1528-L1533 HydrophobicContact CG1-CD1 4.46Å
1529	S	52.9	Low	60.6	Low	62 Å²	62	73.9 Å²	73.9	43%	0.434	37%	0.365	S	S	.	.			trans	-64.7	153.2	173.2	49.4	0	0	0	0	109.9	K1531 E1532 L1533	S1529-K1531 PolarHBondContact O-N 2.86Å; S1529-E1532 PolarHBondContact O-N 3.36Å; S1529-E1532 PolarHBondContact OG-N 3.04Å; S1529-L1533 PolarHBondContact O-N 3.42Å
1530	T	56.3	Low	60.5	Low	88 Å²	88	80 Å²	80	54%	0.54	39%	0.388	S	S	.	.	H	α-helix	trans	-41.1	-53.4	161.9	48.9	0	0	0	0	109.9	E1532 L1533 N1534	T1530-E1532 CarbonylContact O-C 3.55Å; T1530-E1532 PolarHBondContact O-N 3.34Å; T1530-L1533 CarbonylContact O-C 3.46Å; T1530-L1533 WeakPolarHBondContact O-CA 3.12Å; T1530-L1533 WeakPolarHBondContact O-CB 3.37Å; T1530-L1533 PolarHBondContact O-N 3.17Å; T1530-N1534 WeakPolarHBondContact CA-OD1 3.46Å; T1530-N1534 PolarHBondContact O-N 3.06Å; T1530-N1534 PolarHBondContact O-OD1 2.81Å
1531	K	63.4	Low	60.3	Low	182 Å²	182	82.7 Å²	82.7	79%	0.791	42%	0.417	S	S	*	.	H	α-helix	trans	-50.9	-2.5	170.1	-103.3	165.1	179.1	146	0	119.1	S1529 R1535	S1529-K1531 PolarHBondContact O-N 2.86Å; K1531-R1535 WeakPolarHBondContact O-CB 3.41Å
1532	E	67.9	Low	60.4	Low	58 Å²	58	77.6 Å²	77.6	27%	0.271	40%	0.398	S	S	.	.	H	α-helix	trans	-123.9	-15.7	167.2	168.2	67.4	-162.4	0	0	112.8	V1528 S1529 T1530 R1536	V1528-E1532 HydrophobicContact CG1-CB 4Å; V1528-E1532 HydrophobicContact CG1-CG 3.89Å; S1529-E1532 PolarHBondContact O-N 3.36Å; S1529-E1532 PolarHBondContact OG-N 3.04Å; T1530-E1532 CarbonylContact O-C 3.55Å; T1530-E1532 PolarHBondContact O-N 3.34Å; E1532-R1536 WeakPolarHBondContact O-CD 3.36Å; E1532-R1536 WeakPolarHBondContact O-CG 3.14Å; E1532-R1536 IonicContact OE1-CZ 3.59Å; E1532-R1536 IonicContact OE1-NE 3.47Å; E1532-R1536 PolarHBondContact OE1-NE 2.92Å; E1532-R1536 IonicContact OE1-NH2 3.63Å; E1532-R1536 PolarHBondContact OE1-NH2 2.85Å
1533	L	61.7	Low	60.3	Low	6 Å²	6	82.2 Å²	82.2	3%	0.031	42%	0.416	C	S	.	.	H	α-helix	trans	-72.4	-62.1	163.8	-155.8	92.7	0	0	0	110.1	L1519 F1524 V1528 S1529 T1530 R1535 R1536 M1537	L1519-L1533 HydrophobicContact CD1-CD1 3.73Å; L1519-L1533 HydrophobicContact CD1-CG 4.19Å; L1519-L1533 HydrophobicContact CD2-CD1 4.25Å; F1524-L1533 HydrophobicContact CD2-CD1 3.69Å; F1524-L1533 HydrophobicContact CD2-CD2 4.36Å; F1524-L1533 HydrophobicContact CE2-CD1 3.65Å; F1524-L1533 HydrophobicContact CE2-CD2 3.47Å; F1524-L1533 VanDerWaalsContact CE2-CD2 3.47Å; F1524-L1533 HydrophobicContact CE2-CG 4.2Å; F1524-L1533 HydrophobicContact CZ-CD1 4.42Å; F1524-L1533 HydrophobicContact CZ-CD2 3.87Å; V1528-L1533 HydrophobicContact CG1-CB 4.43Å; V1528-L1533 HydrophobicContact CG1-CD1 4.46Å; S1529-L1533 PolarHBondContact O-N 3.42Å; T1530-L1533 CarbonylContact O-C 3.46Å; T1530-L1533 WeakPolarHBondContact O-CA 3.12Å; T1530-L1533 WeakPolarHBondContact O-CB 3.37Å; T1530-L1533 PolarHBondContact O-N 3.17Å; L1533-R1535 PolarHBondContact O-N 2.66Å; L1533-R1535 VanDerWaalsContact O-N 3.09Å; L1533-R1536 WeakPolarHBondContact O-CA 3.24Å; L1533-R1536 WeakPolarHBondContact O-CB 3.31Å; L1533-R1536 PolarHBondContact O-N 2.93Å; L1533-M1537 HydrophobicContact CB-SD 4.27Å; L1533-M1537 HydrophobicContact CD2-CE 4.23Å; L1533-M1537 HydrophobicContact CD2-SD 3.79Å; L1533-M1537 HydrophobicContact CG-SD 3.67Å; L1533-M1537 PolarHBondContact O-N 2.97Å; L1533-M1537 VanDerWaalsContact O-N 3.16Å
1534	N	59.8	Low	60.1	Low	47 Å²	47	81.5 Å²	81.5	25%	0.251	41%	0.413	S	S	.	.	H	α-helix	trans	-53.4	-36.1	171.9	-47.7	70.6	0	0	0	109.3	T1530 R1536 M1537 N1538	T1530-N1534 WeakPolarHBondContact CA-OD1 3.46Å; T1530-N1534 PolarHBondContact O-N 3.06Å; T1530-N1534 PolarHBondContact O-OD1 2.81Å; N1534-R1536 PolarHBondContact O-N 3.04Å; N1534-M1537 CarbonylContact O-C 3.26Å; N1534-M1537 PolarHBondContact O-N 2.86Å; N1534-M1537 VanDerWaalsContact O-N 3.07Å; N1534-N1538 VanDerWaalsContact C-OD1 3.3Å; N1534-N1538 VanDerWaalsContact O-CB 3.29Å; N1534-N1538 WeakPolarHBondContact O-CB 3.33Å; N1534-N1538 VanDerWaalsContact O-CG 3.3Å; N1534-N1538 PolarHBondContact O-N 3.43Å; N1534-N1538 PolarHBondContact O-OD1 2.82Å
1535	R	65	Low	60.5	Low	167 Å²	167	82.9 Å²	82.9	63%	0.63	42%	0.42	S	S	*	.	H	α-helix	trans	-64	-7.3	173.4	-149.9	-168.9	-176	157.5	10.1	116.1	K1531 L1533 K1539	K1531-R1535 WeakPolarHBondContact O-CB 3.41Å; L1533-R1535 PolarHBondContact O-N 2.66Å; L1533-R1535 VanDerWaalsContact O-N 3.09Å; R1535-K1539 WeakPolarHBondContact O-CB 3.41Å
1536	R	68.6	Low	60.4	Low	78 Å²	78	79 Å²	79	29%	0.294	40%	0.4	S	S	.	.	H	α-helix	trans	-106.8	-28.7	173.1	-70.2	169.6	-175.6	-150.9	6.5	111.9	L1519 E1532 L1533 N1534 K1539	L1519-R1536 HydrophobicContact CD1-CB 3.97Å; L1519-R1536 HydrophobicContact CD1-CG 4.47Å; E1532-R1536 WeakPolarHBondContact O-CD 3.36Å; E1532-R1536 WeakPolarHBondContact O-CG 3.14Å; E1532-R1536 IonicContact OE1-CZ 3.59Å; E1532-R1536 IonicContact OE1-NE 3.47Å; E1532-R1536 PolarHBondContact OE1-NE 2.92Å; E1532-R1536 IonicContact OE1-NH2 3.63Å; E1532-R1536 PolarHBondContact OE1-NH2 2.85Å; L1533-R1536 WeakPolarHBondContact O-CA 3.24Å; L1533-R1536 WeakPolarHBondContact O-CB 3.31Å; L1533-R1536 PolarHBondContact O-N 2.93Å; N1534-R1536 PolarHBondContact O-N 3.04Å; R1536-K1539 VanDerWaalsContact O-CB 3.3Å; R1536-K1539 WeakPolarHBondContact O-CB 3.48Å; R1536-K1539 PolarHBondContact O-N 3.08Å
1537	M	63.8	Low	60.2	Low	3 Å²	3	77.1 Å²	77.1	2%	0.015	40%	0.396	C	S	.	.	H	α-helix	trans	-75	-52.9	170.9	-65	126.9	68.4	0	0	110.9	L1517 L1533 N1534 K1539 R1540 G1541 W1542 D1544	L1517-M1537 HydrophobicContact CD1-CG 4.42Å; L1533-M1537 HydrophobicContact CB-SD 4.27Å; L1533-M1537 HydrophobicContact CD2-CE 4.23Å; L1533-M1537 HydrophobicContact CD2-SD 3.79Å; L1533-M1537 HydrophobicContact CG-SD 3.67Å; L1533-M1537 PolarHBondContact O-N 2.97Å; L1533-M1537 VanDerWaalsContact O-N 3.16Å; N1534-M1537 CarbonylContact O-C 3.26Å; N1534-M1537 PolarHBondContact O-N 2.86Å; N1534-M1537 VanDerWaalsContact O-N 3.07Å; M1537-K1539 PolarHBondContact O-N 2.78Å; M1537-R1540 CarbonylContact O-C 3.4Å; M1537-R1540 WeakPolarHBondContact O-CA 3.06Å; M1537-R1540 PolarHBondContact O-N 3.18Å; M1537-G1541 PolarHBondContact O-N 2.67Å; M1537-W1542 CarbonylContact C-O 3.1Å; M1537-W1542 HydrophobicContact CB-CB 3.77Å; M1537-W1542 WeakPolarHBondContact CB-O 3.39Å; M1537-W1542 HydrophobicContact CG-CB 4.23Å; M1537-W1542 HydrophobicContact CG-CE3 4.12Å; M1537-W1542 PolarHBondContact O-N 3.24Å; M1537-D1544 HydrophobicContact CE-CB 3.29Å; M1537-D1544 WeakPolarHBondContact CE-OD2 3.23Å
1538	N	60	Low	60.7	Low	96 Å²	96	75 Å²	75	51%	0.513	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-5.9	165	-54.8	53.2	0	0	0	113.8	N1534	N1534-N1538 VanDerWaalsContact C-OD1 3.3Å; N1534-N1538 VanDerWaalsContact O-CB 3.29Å; N1534-N1538 WeakPolarHBondContact O-CB 3.33Å; N1534-N1538 VanDerWaalsContact O-CG 3.3Å; N1534-N1538 PolarHBondContact O-N 3.43Å; N1534-N1538 PolarHBondContact O-OD1 2.82Å
1539	K	66.1	Low	60.4	Low	164 Å²	164	74 Å²	74	71%	0.713	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-4	171.9	-136.1	174.5	-171.1	169.9	0	113.5	R1535 R1536 M1537	R1535-K1539 WeakPolarHBondContact O-CB 3.41Å; R1536-K1539 VanDerWaalsContact O-CB 3.3Å; R1536-K1539 WeakPolarHBondContact O-CB 3.48Å; R1536-K1539 PolarHBondContact O-N 3.08Å; M1537-K1539 PolarHBondContact O-N 2.78Å
1540	R	63.5	Low	60.6	Low	131 Å²	131	73.5 Å²	73.5	49%	0.494	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.7	-26.8	-170.5	-81.4	171.9	157.1	140.1	-10.1	113.9	F1516 L1517 M1537	F1516-R1540 HydrophobicContact CE2-CB 4.12Å; F1516-R1540 VanDerWaalsContact CE2-CD 3.44Å; F1516-R1540 HydrophobicContact CE2-CG 4.01Å; F1516-R1540 HydrophobicContact CZ-CB 4.49Å; F1516-R1540 PolarHBondContact O-NH1 2.88Å; F1516-R1540 PolarHBondContact O-NH2 3.19Å; L1517-R1540 VanDerWaalsContact C-NH1 3.33Å; L1517-R1540 VanDerWaalsContact CA-NH1 3.32Å; L1517-R1540 PolarHBondContact O-NH1 2.9Å; M1537-R1540 CarbonylContact O-C 3.4Å; M1537-R1540 WeakPolarHBondContact O-CA 3.06Å; M1537-R1540 PolarHBondContact O-N 3.18Å
1541	G	52.4	Low	60.8	Low	61 Å²	61	70 Å²	70	63%	0.629	33%	0.334	S	S	*	.	S	Bend	trans	104.2	61.1	-179.6	0	0	0	0	0	111.8	M1537	M1537-G1541 PolarHBondContact O-N 2.67Å
1542	W	61.3	Low	60.6	Low	52 Å²	52	62.1 Å²	62.1	20%	0.197	30%	0.301	C	S	.	.			trans	-138.6	131.1	170	-107.4	6.9	0	0	0	106.8	P1514 L1517 M1537 G1549	P1514-W1542 HydrophobicContact CG-CH2 3.31Å; P1514-W1542 HydrophobicContact CG-CZ2 3.84Å; P1514-W1542 HydrophobicContact CG-CZ3 3.9Å; L1517-W1542 HydrophobicContact CD1-CE3 4.09Å; L1517-W1542 HydrophobicContact CD1-CZ3 3.9Å; M1537-W1542 CarbonylContact C-O 3.1Å; M1537-W1542 HydrophobicContact CB-CB 3.77Å; M1537-W1542 WeakPolarHBondContact CB-O 3.39Å; M1537-W1542 HydrophobicContact CG-CB 4.23Å; M1537-W1542 HydrophobicContact CG-CE3 4.12Å; M1537-W1542 PolarHBondContact O-N 3.24Å; W1542-G1549 WeakPolarHBondContact CH2-O 2.89Å; W1542-G1549 WeakPolarHBondContact CZ2-O 3.35Å
1543	F	58.4	Low	59.9	Low	117 Å²	117	61.5 Å²	61.5	51%	0.513	30%	0.299	S	S	.	.			trans	-100.6	166.5	153.1	-62.3	-88.3	0	0	0	106.8	P1551 D1552	F1543-P1551 VanDerWaalsContact O-CA 3.25Å; F1543-P1551 WeakPolarHBondContact O-CA 2.93Å; F1543-P1551 WeakPolarHBondContact O-CB 3.43Å; F1543-D1552 VanDerWaalsContact C-OD1 3.26Å
1544	D	60.5	Low	59.9	Low	10 Å²	10	64.2 Å²	64.2	5%	0.053	31%	0.313	C	S	.	.			trans	177.3	86.2	-156.9	-159.8	-2.3	0	0	0	105.1	M1537 C1547 D1548 G1549 D1552	M1537-D1544 HydrophobicContact CE-CB 3.29Å; M1537-D1544 WeakPolarHBondContact CE-OD2 3.23Å; D1544-C1547 WeakPolarHBondContact OD1-CA 3.47Å; D1544-D1548 PolarHBondContact OD1-N 3.38Å; D1544-G1549 WeakPolarHBondContact OD1-CA 3.4Å; D1544-G1549 PolarHBondContact OD1-N 3.27Å; D1544-D1552 WeakPolarHBondContact CA-OD1 3.42Å; D1544-D1552 PolarHBondContact N-OD1 2.74Å
1545	H	62.4	Low	59.9	Low	117 Å²	117	63.1 Å²	63.1	54%	0.542	31%	0.308	S	S	.	.	S	Bend	trans	-74.2	-59	-169.5	-106.2	98.5	0	0	0	112	C1547 D1552	H1545-C1547 VanDerWaalsContact C-N 3.33Å; H1545-D1552 IonicContact CE1-OD2 2.59Å; H1545-D1552 IonicContact CG-OD2 3.12Å; H1545-D1552 PolarHBondContact N-OD1 2.88Å; H1545-D1552 VanDerWaalsContact ND1-CG 3.27Å; H1545-D1552 IonicContact ND1-OD1 2.94Å; H1545-D1552 IonicContact ND1-OD2 2.66Å; H1545-D1552 PolarHBondContact ND1-OD2 3.22Å
1546	D	58.3	Low	59.9	Low	39 Å²	39	58.1 Å²	58.1	21%	0.209	30%	0.297	C	S	.	.	S	Bend	trans	-66.7	-31.7	174.2	86	-51.1	0	0	0	113.4	D1548 D1559 N1560	D1546-D1548 PolarHBondContact OD1-N 2.8Å; D1546-D1548 WeakPolarHBondContact OD2-CA 3.29Å; D1546-D1548 WeakPolarHBondContact OD2-CB 3.42Å; D1546-D1548 PolarHBondContact OD2-N 3.4Å; D1546-D1559 VanDerWaalsContact CB-O 3.29Å; D1546-D1559 WeakPolarHBondContact CB-O 3.35Å; D1546-N1560 HydrophobicContact CB-CB 3.86Å; D1546-N1560 WeakPolarHBondContact OD2-CB 3.23Å
1547	C	53.5	Low	59.5	Low	38 Å²	38	55.6 Å²	55.6	26%	0.257	29%	0.289	S	S	.	.	S	Bend	trans	80.8	30.1	-166.7	-54.4	0	0	0	0	117.6	D1544 H1545 G1549	D1544-C1547 WeakPolarHBondContact OD1-CA 3.47Å; H1545-C1547 VanDerWaalsContact C-N 3.33Å; C1547-G1549 VanDerWaalsContact C-N 3.34Å
1548	D	58.2	Low	59.6	Low	28 Å²	28	58.6 Å²	58.6	15%	0.15	31%	0.305	C	S	.	.	S	Bend	trans	-58.2	-52.4	166.5	171.5	-79.9	0	0	0	107	K1510 Q1512 D1544 D1546 I1550	K1510-D1548 IonicContact NZ-OD1 2.63Å; K1510-D1548 PolarHBondContact NZ-OD1 2.75Å; K1510-D1548 IonicContact NZ-OD2 2.39Å; K1510-D1548 PolarHBondContact NZ-OD2 3.5Å; Q1512-D1548 WeakPolarHBondContact CB-O 3.49Å; Q1512-D1548 VanDerWaalsContact CD-O 3.28Å; Q1512-D1548 WeakPolarHBondContact CG-O 2.87Å; Q1512-D1548 WeakPolarHBondContact CG-OD1 3.45Å; Q1512-D1548 PolarHBondContact NE2-O 2.96Å; Q1512-D1548 PolarHBondContact NE2-OD2 3.19Å; D1544-D1548 PolarHBondContact OD1-N 3.38Å; D1546-D1548 PolarHBondContact OD1-N 2.8Å; D1546-D1548 WeakPolarHBondContact OD2-CA 3.29Å; D1546-D1548 WeakPolarHBondContact OD2-CB 3.42Å; D1546-D1548 PolarHBondContact OD2-N 3.4Å; D1548-I1550 WeakPolarHBondContact OD1-CG1 3.32Å; D1548-I1550 PolarHBondContact OD1-N 3.26Å
1549	G	54.7	Low	59.9	Low	10 Å²	10	59.2 Å²	59.2	10%	0.103	31%	0.308	C	S	.	.	S	Bend	trans	101.1	13	-170	0	0	0	0	0	114	W1542 D1544 C1547	W1542-G1549 WeakPolarHBondContact CH2-O 2.89Å; W1542-G1549 WeakPolarHBondContact CZ2-O 3.35Å; D1544-G1549 WeakPolarHBondContact OD1-CA 3.4Å; D1544-G1549 PolarHBondContact OD1-N 3.27Å; C1547-G1549 VanDerWaalsContact C-N 3.34Å
1550	I	57.4	Low	59.2	Low	51 Å²	51	54.8 Å²	54.8	26%	0.262	29%	0.292	S	S	.	.	S	Bend	trans	-78.7	144.4	138	-67.8	160.4	0	0	0	106.2	D1548 L1554 D1555	D1548-I1550 WeakPolarHBondContact OD1-CG1 3.32Å; D1548-I1550 PolarHBondContact OD1-N 3.26Å; I1550-L1554 HydrophobicContact CG2-CB 3.55Å; I1550-L1554 WeakPolarHBondContact CG2-O 2.89Å; I1550-D1555 WeakPolarHBondContact CB-OD1 3.17Å; I1550-D1555 VanDerWaalsContact CB-OD2 3.24Å; I1550-D1555 WeakPolarHBondContact CB-OD2 3.45Å; I1550-D1555 WeakPolarHBondContact CD1-OD1 3.25Å; I1550-D1555 HydrophobicContact CG2-CB 3.93Å; I1550-D1555 VanDerWaalsContact CG2-CG 3.44Å; I1550-D1555 VanDerWaalsContact CG2-N 3.31Å; I1550-D1555 WeakPolarHBondContact CG2-OD2 3.48Å
1551	P	60.9	Low	59.2	Low	16 Å²	16	51.7 Å²	51.7	10%	0.104	29%	0.286	C	S	.	.			trans	-86	138.6	172.8	33.5	-31.8	0	0	0	109.6	F1543 N1553 L1554	F1543-P1551 VanDerWaalsContact O-CA 3.25Å; F1543-P1551 WeakPolarHBondContact O-CA 2.93Å; F1543-P1551 WeakPolarHBondContact O-CB 3.43Å; P1551-N1553 HydrophobicContact CB-CB 4.43Å; P1551-N1553 HydrophobicContact CG-CB 4.27Å; P1551-N1553 CarbonylContact O-C 3.23Å; P1551-N1553 WeakPolarHBondContact O-CA 3.26Å; P1551-N1553 VanDerWaalsContact O-CB 3.31Å; P1551-N1553 WeakPolarHBondContact O-CB 3.26Å; P1551-N1553 PolarHBondContact O-N 3.3Å; P1551-L1554 HydrophobicContact CG-CD1 4.06Å; P1551-L1554 PolarHBondContact O-N 3.07Å
1552	D	58.4	Low	59.2	Low	15 Å²	15	50.1 Å²	50.1	8%	0.08	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-22.9	-59.2	-175.9	-28.1	-13.7	0	0	0	112.2	F1543 D1544 H1545 L1554 D1555 D1558	F1543-D1552 VanDerWaalsContact C-OD1 3.26Å; D1544-D1552 WeakPolarHBondContact CA-OD1 3.42Å; D1544-D1552 PolarHBondContact N-OD1 2.74Å; H1545-D1552 IonicContact CE1-OD2 2.59Å; H1545-D1552 IonicContact CG-OD2 3.12Å; H1545-D1552 PolarHBondContact N-OD1 2.88Å; H1545-D1552 VanDerWaalsContact ND1-CG 3.27Å; H1545-D1552 IonicContact ND1-OD1 2.94Å; H1545-D1552 IonicContact ND1-OD2 2.66Å; H1545-D1552 PolarHBondContact ND1-OD2 3.22Å; D1552-L1554 PolarHBondContact O-N 2.7Å; D1552-D1555 PolarHBondContact O-N 2.76Å; D1552-D1558 WeakPolarHBondContact CA-OD1 3.33Å; D1552-D1558 VanDerWaalsContact O-OD1 3.12Å
1553	N	53.4	Low	58.7	Low	46 Å²	46	48.8 Å²	48.8	25%	0.246	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-18.1	-25.7	159.7	-48.8	68.9	0	0	0	122	P1551 T2150 D2151	P1551-N1553 HydrophobicContact CB-CB 4.43Å; P1551-N1553 HydrophobicContact CG-CB 4.27Å; P1551-N1553 CarbonylContact O-C 3.23Å; P1551-N1553 WeakPolarHBondContact O-CA 3.26Å; P1551-N1553 VanDerWaalsContact O-CB 3.31Å; P1551-N1553 WeakPolarHBondContact O-CB 3.26Å; P1551-N1553 PolarHBondContact O-N 3.3Å; N1553-T2150 WeakPolarHBondContact CA-O 3.25Å; N1553-T2150 PolarHBondContact N-O 3.29Å; N1553-T2150 PolarHBondContact ND2-O 3.32Å; N1553-D2151 VanDerWaalsContact ND2-CB 3.28Å; N1553-D2151 WeakPolarHBondContact ND2-CB 3.49Å; N1553-D2151 PolarHBondContact ND2-N 3.38Å
1554	L	62.2	Low	58.4	Low	62 Å²	62	49.3 Å²	49.3	33%	0.325	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-147.9	-1	-162.9	-78.8	170.4	0	0	0	112.9	I1550 P1551 D1552 G2155	I1550-L1554 HydrophobicContact CG2-CB 3.55Å; I1550-L1554 WeakPolarHBondContact CG2-O 2.89Å; P1551-L1554 HydrophobicContact CG-CD1 4.06Å; P1551-L1554 PolarHBondContact O-N 3.07Å; D1552-L1554 PolarHBondContact O-N 2.7Å; L1554-G2155 WeakPolarHBondContact CD1-O 3.3Å; L1554-G2155 WeakPolarHBondContact CD2-O 3.49Å
1555	D	58.5	Low	57.9	Low	25 Å²	25	54.1 Å²	54.1	13%	0.134	29%	0.293	C	S	.	.			trans	-85	153.1	173.1	-102.9	-38.4	0	0	0	110	I1550 D1552	I1550-D1555 WeakPolarHBondContact CB-OD1 3.17Å; I1550-D1555 VanDerWaalsContact CB-OD2 3.24Å; I1550-D1555 WeakPolarHBondContact CB-OD2 3.45Å; I1550-D1555 WeakPolarHBondContact CD1-OD1 3.25Å; I1550-D1555 HydrophobicContact CG2-CB 3.93Å; I1550-D1555 VanDerWaalsContact CG2-CG 3.44Å; I1550-D1555 VanDerWaalsContact CG2-N 3.31Å; I1550-D1555 WeakPolarHBondContact CG2-OD2 3.48Å; D1552-D1555 PolarHBondContact O-N 2.76Å
1556	P	65.6	Low	57.6	Low	61 Å²	61	52.8 Å²	52.8	40%	0.396	30%	0.297	S	S	.	.	S	Bend	trans	-116.5	28.9	168.5	41.5	-30.3	0	0	0	111.7	F1564 D1565	P1556-F1564 HydrophobicContact CB-CD1 4.15Å; P1556-F1564 HydrophobicContact CG-CD1 3.97Å; P1556-F1564 HydrophobicContact CG-CE1 4.1Å; P1556-F1564 VanDerWaalsContact O-CA 3.23Å; P1556-F1564 WeakPolarHBondContact O-CA 3.48Å; P1556-F1564 WeakPolarHBondContact O-CD1 3.35Å; P1556-D1565 VanDerWaalsContact C-CG 3.44Å; P1556-D1565 WeakPolarHBondContact CA-OD2 2.97Å; P1556-D1565 PolarHBondContact O-N 2.98Å
1557	D	60.5	Low	57.7	Low	26 Å²	26	52.7 Å²	52.7	14%	0.139	30%	0.295	C	S	.	.	S	Bend	trans	-164	61	-171.9	173.4	15.9	0	0	0	105.4	D1559 N1560 D1561 G1562 Y1563 D1565	D1557-D1559 PolarHBondContact O-N 3.23Å; D1557-N1560 PolarHBondContact O-N 3.04Å; D1557-N1560 WeakPolarHBondContact OD1-CA 2.72Å; D1557-N1560 PolarHBondContact OD1-N 2.87Å; D1557-N1560 PolarHBondContact OD2-ND2 3Å; D1557-D1561 PolarHBondContact OD1-N 3.31Å; D1557-G1562 PolarHBondContact OD1-N 2.61Å; D1557-Y1563 VanDerWaalsContact CB-O 3.32Å; D1557-Y1563 WeakPolarHBondContact CB-O 3.46Å; D1557-Y1563 VanDerWaalsContact CG-O 3.26Å; D1557-D1565 PolarHBondContact N-OD1 3.41Å
1558	D	64.8	Low	57.9	Low	65 Å²	65	54.6 Å²	54.6	35%	0.348	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.9	-153.4	-143.6	32.4	0	0	0	114.4	D1552 D1565	D1552-D1558 WeakPolarHBondContact CA-OD1 3.33Å; D1552-D1558 VanDerWaalsContact O-OD1 3.12Å; D1558-D1565 PolarHBondContact N-OD1 2.91Å
1559	D	66.7	Low	58.2	Low	109 Å²	109	54.7 Å²	54.7	58%	0.583	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.3	-0.5	176.1	97	-28.7	0	0	0	115.7	D1546 D1557 D1561	D1546-D1559 VanDerWaalsContact CB-O 3.29Å; D1546-D1559 WeakPolarHBondContact CB-O 3.35Å; D1557-D1559 PolarHBondContact O-N 3.23Å; D1559-D1561 VanDerWaalsContact OD1-CB 3.27Å; D1559-D1561 WeakPolarHBondContact OD1-CB 3.33Å; D1559-D1561 PolarHBondContact OD1-N 3.27Å
1560	N	51.8	Low	59	Low	71 Å²	71	55 Å²	55	38%	0.38	30%	0.301	S	S	.	.			trans	63.8	32.9	-173	-125.6	-120.4	0	0	0	115.3	D1546 D1557 G1562 R1572	D1546-N1560 HydrophobicContact CB-CB 3.86Å; D1546-N1560 WeakPolarHBondContact OD2-CB 3.23Å; D1557-N1560 PolarHBondContact O-N 3.04Å; D1557-N1560 WeakPolarHBondContact OD1-CA 2.72Å; D1557-N1560 PolarHBondContact OD1-N 2.87Å; D1557-N1560 PolarHBondContact OD2-ND2 3Å; N1560-G1562 PolarHBondContact O-N 3.25Å; N1560-R1572 PolarHBondContact O-NH1 3.42Å; N1560-R1572 PolarHBondContact O-NH2 2.81Å; N1560-R1572 VanDerWaalsContact O-NH2 3.15Å
1561	D	63.1	Low	59.5	Low	66 Å²	66	54.9 Å²	54.9	35%	0.353	30%	0.301	S	S	.	.			trans	-59	-12.9	163.3	80.4	1.3	0	0	0	113.2	D1557 D1559 Y1563 R1572	D1557-D1561 PolarHBondContact OD1-N 3.31Å; D1559-D1561 VanDerWaalsContact OD1-CB 3.27Å; D1559-D1561 WeakPolarHBondContact OD1-CB 3.33Å; D1559-D1561 PolarHBondContact OD1-N 3.27Å; D1561-Y1563 HydrophobicContact CB-CD2 4.45Å; D1561-Y1563 WeakPolarHBondContact O-CE2 3.24Å; D1561-Y1563 PolarHBondContact O-OH 2.82Å; D1561-Y1563 WeakPolarHBondContact OD1-CB 3.4Å; D1561-Y1563 PolarHBondContact OD1-N 2.91Å; D1561-R1572 VanDerWaalsContact C-NH1 3.33Å; D1561-R1572 VanDerWaalsContact CA-NH2 3.34Å; D1561-R1572 PolarHBondContact O-NE 2.83Å; D1561-R1572 PolarHBondContact O-NH1 2.72Å; D1561-R1572 PolarHBondContact O-NH2 2.97Å
1562	G	53.5	Low	59.2	Low	29 Å²	29	60.4 Å²	60.4	30%	0.299	32%	0.32	S	S	.	.	S	Bend	trans	95.4	-8	169.7	0	0	0	0	0	114.5	D1557 N1560	D1557-G1562 PolarHBondContact OD1-N 2.61Å; N1560-G1562 PolarHBondContact O-N 3.25Å
1563	Y	49.4	Very low	59.9	Low	23 Å²	23	65.2 Å²	65.2	9%	0.09	35%	0.346	C	S	.	.	S	Bend	trans	-89.2	163.8	174	-53.1	-38.2	0	0	0	108.5	D1557 D1561 K1567 Q1568 D1569 S1570 R1572	D1557-Y1563 VanDerWaalsContact CB-O 3.32Å; D1557-Y1563 WeakPolarHBondContact CB-O 3.46Å; D1557-Y1563 VanDerWaalsContact CG-O 3.26Å; D1561-Y1563 HydrophobicContact CB-CD2 4.45Å; D1561-Y1563 WeakPolarHBondContact O-CE2 3.24Å; D1561-Y1563 PolarHBondContact O-OH 2.82Å; D1561-Y1563 WeakPolarHBondContact OD1-CB 3.4Å; D1561-Y1563 PolarHBondContact OD1-N 2.91Å; Y1563-K1567 VanDerWaalsContact CB-O 3.26Å; Y1563-K1567 WeakPolarHBondContact CB-O 3.36Å; Y1563-Q1568 HydrophobicContact CD2-CG 4.26Å; Y1563-Q1568 HydrophobicContact CG-CB 4.37Å; Y1563-Q1568 HydrophobicContact CG-CG 4.28Å; Y1563-D1569 HydrophobicContact CD1-CB 3.83Å; Y1563-D1569 HydrophobicContact CE1-CB 3.68Å; Y1563-D1569 VanDerWaalsContact CE1-N 3.3Å; Y1563-D1569 WeakPolarHBondContact CE1-O 3.41Å; Y1563-D1569 PolarHBondContact OH-O 3.44Å; Y1563-S1570 WeakPolarHBondContact OH-CA 3.35Å; Y1563-S1570 PolarHBondContact OH-O 3.29Å; Y1563-R1572 HydrophobicContact CE1-CG 4.08Å; Y1563-R1572 WeakPolarHBondContact OH-CG 3.21Å
1564	F	51.8	Low	60.4	Low	128 Å²	128	65.9 Å²	65.9	56%	0.561	36%	0.363	S	S	*	.	B	Isolated β-bridge	trans	-78.4	160.1	154.3	-66.4	-71.7	0	0	0	107	P1556 S1566 K1567	P1556-F1564 HydrophobicContact CB-CD1 4.15Å; P1556-F1564 HydrophobicContact CG-CD1 3.97Å; P1556-F1564 HydrophobicContact CG-CE1 4.1Å; P1556-F1564 VanDerWaalsContact O-CA 3.23Å; P1556-F1564 WeakPolarHBondContact O-CA 3.48Å; P1556-F1564 WeakPolarHBondContact O-CD1 3.35Å; F1564-S1566 PolarHBondContact O-N 2.68Å; F1564-K1567 PolarHBondContact N-O 3.49Å; F1564-K1567 PolarHBondContact O-N 2.89Å
1565	D	51	Low	60.5	Low	111 Å²	111	65.6 Å²	65.6	59%	0.594	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	31.2	172.4	-34.8	-59.7	0	0	0	112.6	P1556 D1557 D1558	P1556-D1565 VanDerWaalsContact C-CG 3.44Å; P1556-D1565 WeakPolarHBondContact CA-OD2 2.97Å; P1556-D1565 PolarHBondContact O-N 2.98Å; D1557-D1565 PolarHBondContact N-OD1 3.41Å; D1558-D1565 PolarHBondContact N-OD1 2.91Å
1566	S	56.6	Low	60.6	Low	90 Å²	90	66 Å²	66	63%	0.629	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-169.5	-5.2	-164.6	38.6	0	0	0	0	115.9	F1564	F1564-S1566 PolarHBondContact O-N 2.68Å
1567	K	58.7	Low	60.6	Low	37 Å²	37	64.4 Å²	64.4	16%	0.161	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-153.9	120.4	173.4	-77.5	-143.3	-160.9	-158.5	0	112.7	D1403 N1417 Y1563 F1564 L1576	D1403-K1567 IonicContact OD2-NZ 3.11Å; D1403-K1567 PolarHBondContact OD2-NZ 3.05Å; N1417-K1567 VanDerWaalsContact CB-CE 3.45Å; N1417-K1567 VanDerWaalsContact ND2-CE 3.3Å; N1417-K1567 WeakPolarHBondContact ND2-CE 2.9Å; N1417-K1567 PolarHBondContact ND2-NZ 3.47Å; N1417-K1567 WeakPolarHBondContact OD1-CE 3.36Å; N1417-K1567 PolarHBondContact OD1-NZ 3.21Å; Y1563-K1567 VanDerWaalsContact CB-O 3.26Å; Y1563-K1567 WeakPolarHBondContact CB-O 3.36Å; F1564-K1567 PolarHBondContact N-O 3.49Å; F1564-K1567 PolarHBondContact O-N 2.89Å; K1567-L1576 HydrophobicContact CB-CD2 4.19Å; K1567-L1576 HydrophobicContact CD-CD1 4.02Å; K1567-L1576 HydrophobicContact CD-CD2 3.93Å
1568	Q	57.9	Low	60.8	Low	77 Å²	77	69 Å²	69	36%	0.36	37%	0.372	S	S	.	.			trans	-89.3	147.7	179.4	-67.2	174	-49.4	0	0	113.8	Y1563 L1576 N1577 N1597	Y1563-Q1568 HydrophobicContact CD2-CG 4.26Å; Y1563-Q1568 HydrophobicContact CG-CB 4.37Å; Y1563-Q1568 HydrophobicContact CG-CG 4.28Å; Q1568-L1576 WeakPolarHBondContact O-CA 3.25Å; Q1568-L1576 WeakPolarHBondContact O-CD2 3.39Å; Q1568-N1577 WeakPolarHBondContact CB-OD1 3.15Å; Q1568-N1577 PolarHBondContact O-N 2.8Å; Q1568-N1577 PolarHBondContact O-OD1 2.66Å; Q1568-N1597 PolarHBondContact NE2-ND2 3.1Å; Q1568-N1597 VanDerWaalsContact NE2-ND2 3.15Å
1569	D	64.9	Low	61.2	Low	30 Å²	30	70.4 Å²	70.4	16%	0.16	38%	0.375	C	S	.	.			trans	-146.8	51.4	-179.5	155.9	72.7	0	0	0	107.1	Y1563 D1571 R1572 G1574 I1575 L1576 N1577	Y1563-D1569 HydrophobicContact CD1-CB 3.83Å; Y1563-D1569 HydrophobicContact CE1-CB 3.68Å; Y1563-D1569 VanDerWaalsContact CE1-N 3.3Å; Y1563-D1569 WeakPolarHBondContact CE1-O 3.41Å; Y1563-D1569 PolarHBondContact OH-O 3.44Å; D1569-D1571 PolarHBondContact O-N 2.91Å; D1569-R1572 WeakPolarHBondContact O-CA 3.47Å; D1569-R1572 PolarHBondContact O-N 3.08Å; D1569-G1574 WeakPolarHBondContact OD1-CA 3.19Å; D1569-G1574 PolarHBondContact OD1-N 3.17Å; D1569-I1575 PolarHBondContact OD1-N 3.2Å; D1569-L1576 HydrophobicContact CB-CD2 4.36Å; D1569-N1577 WeakPolarHBondContact CA-OD1 3.29Å; D1569-N1577 PolarHBondContact N-OD1 3.39Å
1570	S	70.9	Confident	61.4	Low	17 Å²	17	66.7 Å²	66.7	12%	0.119	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-31.9	-146.5	-82.2	0	0	0	0	119.2	Y1563 N1577 D1583 N1597	Y1563-S1570 WeakPolarHBondContact OH-CA 3.35Å; Y1563-S1570 PolarHBondContact OH-O 3.29Å; S1570-N1577 PolarHBondContact N-OD1 2.69Å; S1570-N1577 PolarHBondContact OG-ND2 3.43Å; S1570-N1577 PolarHBondContact OG-OD1 3.38Å; S1570-D1583 CarbonylContact C-O 3.03Å; S1570-D1583 WeakPolarHBondContact CB-O 3.41Å; S1570-N1597 WeakPolarHBondContact CB-O 3.44Å; S1570-N1597 VanDerWaalsContact OG-C 3.32Å; S1570-N1597 VanDerWaalsContact OG-CA 3.31Å; S1570-N1597 WeakPolarHBondContact OG-CA 3.36Å; S1570-N1597 PolarHBondContact OG-O 2.86Å
1571	D	68.3	Low	62.6	Low	49 Å²	49	69.7 Å²	69.7	26%	0.262	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-21.2	173.9	98.5	-59	0	0	0	115.3	D1569 D1573 D1583 D1584 N1585	D1569-D1571 PolarHBondContact O-N 2.91Å; D1571-D1573 VanDerWaalsContact CG-N 3.34Å; D1571-D1573 VanDerWaalsContact OD1-CB 3.31Å; D1571-D1573 WeakPolarHBondContact OD1-CB 3.33Å; D1571-D1573 PolarHBondContact OD1-N 3.02Å; D1571-D1573 PolarHBondContact OD2-N 3.03Å; D1571-D1583 WeakPolarHBondContact CB-O 3.4Å; D1571-D1583 PolarHBondContact N-O 3.25Å; D1571-D1584 WeakPolarHBondContact CB-O 3.09Å; D1571-N1585 HydrophobicContact CB-CB 3.32Å; D1571-N1585 VanDerWaalsContact CG-CB 3.47Å; D1571-N1585 WeakPolarHBondContact OD2-CB 2.97Å
1572	R	55.7	Low	63.4	Low	132 Å²	132	68.4 Å²	68.4	50%	0.498	36%	0.364	S	S	.	.	S	Bend	trans	70.4	37.3	-169.9	-38.9	-174.7	-150.6	-165.5	8.4	116.9	N1560 D1561 Y1563 D1569 G1574	N1560-R1572 PolarHBondContact O-NH1 3.42Å; N1560-R1572 PolarHBondContact O-NH2 2.81Å; N1560-R1572 VanDerWaalsContact O-NH2 3.15Å; D1561-R1572 VanDerWaalsContact C-NH1 3.33Å; D1561-R1572 VanDerWaalsContact CA-NH2 3.34Å; D1561-R1572 PolarHBondContact O-NE 2.83Å; D1561-R1572 PolarHBondContact O-NH1 2.72Å; D1561-R1572 PolarHBondContact O-NH2 2.97Å; Y1563-R1572 HydrophobicContact CE1-CG 4.08Å; Y1563-R1572 WeakPolarHBondContact OH-CG 3.21Å; D1569-R1572 WeakPolarHBondContact O-CA 3.47Å; D1569-R1572 PolarHBondContact O-N 3.08Å; R1572-G1574 VanDerWaalsContact C-N 3.33Å
1573	D	72.5	Confident	64.6	Low	116 Å²	116	67.6 Å²	67.6	62%	0.62	35%	0.354	S	S	*	.	S	Bend	trans	-67.5	-36.6	165.2	-172.1	-83.3	0	0	0	110.4	D1571	D1571-D1573 VanDerWaalsContact CG-N 3.34Å; D1571-D1573 VanDerWaalsContact OD1-CB 3.31Å; D1571-D1573 WeakPolarHBondContact OD1-CB 3.33Å; D1571-D1573 PolarHBondContact OD1-N 3.02Å; D1571-D1573 PolarHBondContact OD2-N 3.03Å
1574	G	63.8	Low	66	Low	60 Å²	60	69.3 Å²	69.3	62%	0.619	36%	0.364	S	S	*	.	S	Bend	trans	106.7	45.6	-171.1	0	0	0	0	0	112.2	D1569 R1572	D1569-G1574 WeakPolarHBondContact OD1-CA 3.19Å; D1569-G1574 PolarHBondContact OD1-N 3.17Å; R1572-G1574 VanDerWaalsContact C-N 3.33Å
1575	I	64.2	Low	66.8	Low	55 Å²	55	66.8 Å²	66.8	28%	0.282	36%	0.356	S	S	.	.			trans	-139.3	119.8	175	-53.8	-178	0	0	0	104.6	D1569 F1579 D1580	D1569-I1575 PolarHBondContact OD1-N 3.2Å; I1575-F1579 HydrophobicContact CG2-CB 3.61Å; I1575-F1579 WeakPolarHBondContact CG2-O 3.07Å; I1575-D1580 HydrophobicContact CB-CB 4.21Å; I1575-D1580 WeakPolarHBondContact CB-OD2 3.38Å; I1575-D1580 WeakPolarHBondContact CD1-OD2 3.31Å; I1575-D1580 HydrophobicContact CG2-CB 3.76Å; I1575-D1580 VanDerWaalsContact CG2-N 3.31Å
1576	L	61.6	Low	68.2	Low	33 Å²	33	67.4 Å²	67.4	17%	0.173	36%	0.36	C	S	.	.			trans	-65.3	155.1	176.3	-63.1	164	0	0	0	109.3	D1405 K1567 Q1568 D1569 E1578 F1579 D1580	D1405-L1576 HydrophobicContact CB-CD1 4.17Å; K1567-L1576 HydrophobicContact CB-CD2 4.19Å; K1567-L1576 HydrophobicContact CD-CD1 4.02Å; K1567-L1576 HydrophobicContact CD-CD2 3.93Å; Q1568-L1576 WeakPolarHBondContact O-CA 3.25Å; Q1568-L1576 WeakPolarHBondContact O-CD2 3.39Å; D1569-L1576 HydrophobicContact CB-CD2 4.36Å; L1576-E1578 PolarHBondContact O-N 3.1Å; L1576-E1578 VanDerWaalsContact O-N 3.14Å; L1576-F1579 HydrophobicContact CB-CD2 4.09Å; L1576-F1579 HydrophobicContact CD1-CD2 4.33Å; L1576-F1579 HydrophobicContact CD1-CE2 4.21Å; L1576-F1579 WeakPolarHBondContact O-CA 3.48Å; L1576-F1579 PolarHBondContact O-N 3.45Å; L1576-D1580 PolarHBondContact O-N 2.81Å
1577	N	65.3	Low	69	Low	28 Å²	28	65.5 Å²	65.5	15%	0.15	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-49.6	-41.6	178.9	-73.4	56.9	0	0	0	112.9	Q1568 D1569 S1570 F1579 D1583	Q1568-N1577 WeakPolarHBondContact CB-OD1 3.15Å; Q1568-N1577 PolarHBondContact O-N 2.8Å; Q1568-N1577 PolarHBondContact O-OD1 2.66Å; D1569-N1577 WeakPolarHBondContact CA-OD1 3.29Å; D1569-N1577 PolarHBondContact N-OD1 3.39Å; S1570-N1577 PolarHBondContact N-OD1 2.69Å; S1570-N1577 PolarHBondContact OG-ND2 3.43Å; S1570-N1577 PolarHBondContact OG-OD1 3.38Å; N1577-F1579 PolarHBondContact O-N 2.78Å; N1577-D1583 VanDerWaalsContact CA-OD1 3.29Å; N1577-D1583 WeakPolarHBondContact CA-OD1 3.2Å; N1577-D1583 WeakPolarHBondContact CA-OD2 3.5Å; N1577-D1583 WeakPolarHBondContact CB-OD2 3.38Å; N1577-D1583 PolarHBondContact ND2-OD2 3.15Å
1578	E	63.3	Low	69.6	Low	123 Å²	123	66.6 Å²	66.6	58%	0.575	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-56.2	-7.4	173.1	-55.1	167.9	-113.1	0	0	115.9	L1576	L1576-E1578 PolarHBondContact O-N 3.1Å; L1576-E1578 VanDerWaalsContact O-N 3.14Å
1579	F	73.7	Confident	70.6	Confident	95 Å²	95	64.7 Å²	64.7	42%	0.417	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-139.8	-7.3	-170.2	-62.9	-51.4	0	0	0	117.4	D1405 I1407 I1575 L1576 N1577	D1405-F1579 HydrophobicContact CB-CE2 4.15Å; D1405-F1579 WeakPolarHBondContact OD2-CE2 3.37Å; D1405-F1579 VanDerWaalsContact OD2-CZ 3.25Å; D1405-F1579 WeakPolarHBondContact OD2-CZ 3.47Å; I1407-F1579 HydrophobicContact CD1-CE1 4.09Å; I1407-F1579 HydrophobicContact CD1-CZ 3.65Å; I1407-F1579 HydrophobicContact CG1-CE1 4.42Å; I1407-F1579 HydrophobicContact CG1-CZ 3.96Å; I1575-F1579 HydrophobicContact CG2-CB 3.61Å; I1575-F1579 WeakPolarHBondContact CG2-O 3.07Å; L1576-F1579 HydrophobicContact CB-CD2 4.09Å; L1576-F1579 HydrophobicContact CD1-CD2 4.33Å; L1576-F1579 HydrophobicContact CD1-CE2 4.21Å; L1576-F1579 WeakPolarHBondContact O-CA 3.48Å; L1576-F1579 PolarHBondContact O-N 3.45Å; N1577-F1579 PolarHBondContact O-N 2.78Å
1580	D	71.7	Confident	70.9	Confident	31 Å²	31	65.4 Å²	65.4	17%	0.166	36%	0.36	C	S	.	.			trans	-81.1	-173.5	171.3	-137.6	-37.4	0	0	0	110.4	I1575 L1576 D1583	I1575-D1580 HydrophobicContact CB-CB 4.21Å; I1575-D1580 WeakPolarHBondContact CB-OD2 3.38Å; I1575-D1580 WeakPolarHBondContact CD1-OD2 3.31Å; I1575-D1580 HydrophobicContact CG2-CB 3.76Å; I1575-D1580 VanDerWaalsContact CG2-N 3.31Å; L1576-D1580 PolarHBondContact O-N 2.81Å; D1580-D1583 WeakPolarHBondContact CB-OD1 3.42Å
1581	D	76.7	Confident	70.9	Confident	134 Å²	134	69.8 Å²	69.8	72%	0.717	39%	0.391	S	S	*	.	S	Bend	trans	-127.8	19.9	167.3	-47.2	-81.1	0	0	0	109.4	P1589 D1590	D1581-P1589 WeakPolarHBondContact O-CA 3.31Å; D1581-P1589 WeakPolarHBondContact O-CB 3.23Å; D1581-D1590 VanDerWaalsContact C-OD2 3.31Å; D1581-D1590 WeakPolarHBondContact CA-OD2 3.18Å
1582	D	79.5	Confident	70.8	Confident	38 Å²	38	74.7 Å²	74.7	20%	0.203	41%	0.412	C	S	.	.	S	Bend	trans	180	61.5	-159.8	-162.3	-9.7	0	0	0	110.1	N1585 G1587 I1588 D1590	D1582-N1585 WeakPolarHBondContact O-CA 3.47Å; D1582-N1585 PolarHBondContact O-N 2.72Å; D1582-N1585 PolarHBondContact O-ND2 2.71Å; D1582-N1585 WeakPolarHBondContact OD1-CA 3.49Å; D1582-G1587 WeakPolarHBondContact OD1-CA 3.43Å; D1582-G1587 PolarHBondContact OD1-N 3.22Å; D1582-I1588 PolarHBondContact OD1-N 3.09Å; D1582-I1588 VanDerWaalsContact OD1-O 3.13Å; D1582-D1590 WeakPolarHBondContact CA-OD1 3.46Å; D1582-D1590 PolarHBondContact N-OD1 3.11Å; D1582-D1590 PolarHBondContact N-OD2 3.23Å
1583	D	80	Confident	71.4	Confident	13 Å²	13	69.9 Å²	69.9	7%	0.07	40%	0.396	C	S	.	.	S	Bend	trans	-61.8	-42.8	-160.3	-90.1	1.4	0	0	0	116.8	S1570 D1571 N1577 D1580 D1590 S1596	S1570-D1583 CarbonylContact C-O 3.03Å; S1570-D1583 WeakPolarHBondContact CB-O 3.41Å; D1571-D1583 WeakPolarHBondContact CB-O 3.4Å; D1571-D1583 PolarHBondContact N-O 3.25Å; N1577-D1583 VanDerWaalsContact CA-OD1 3.29Å; N1577-D1583 WeakPolarHBondContact CA-OD1 3.2Å; N1577-D1583 WeakPolarHBondContact CA-OD2 3.5Å; N1577-D1583 WeakPolarHBondContact CB-OD2 3.38Å; N1577-D1583 PolarHBondContact ND2-OD2 3.15Å; D1580-D1583 WeakPolarHBondContact CB-OD1 3.42Å; D1583-D1590 WeakPolarHBondContact CB-OD1 3.4Å; D1583-D1590 PolarHBondContact N-OD1 2.71Å; D1583-S1596 WeakPolarHBondContact CB-O 3.46Å
1584	D	77	Confident	71.3	Confident	59 Å²	59	66.2 Å²	66.2	32%	0.316	38%	0.378	S	S	.	.	S	Bend	trans	-83.4	-14.7	169.3	120.7	-58.5	0	0	0	113.2	D1571 D1586 S1596	D1571-D1584 WeakPolarHBondContact CB-O 3.09Å; D1584-D1586 VanDerWaalsContact C-N 3.35Å; D1584-D1586 PolarHBondContact O-N 2.96Å; D1584-D1586 WeakPolarHBondContact OD1-CA 3.26Å; D1584-D1586 WeakPolarHBondContact OD1-CB 3.43Å; D1584-D1586 PolarHBondContact OD1-N 2.78Å; D1584-S1596 PolarHBondContact N-O 2.79Å; D1584-S1596 VanDerWaalsContact N-O 3.16Å
1585	N	69.6	Low	71.8	Confident	74 Å²	74	65.6 Å²	65.6	40%	0.396	36%	0.361	S	S	.	.			trans	59.8	30.6	-179.5	-139.4	-83	0	0	0	115	D1571 D1582	D1571-N1585 HydrophobicContact CB-CB 3.32Å; D1571-N1585 VanDerWaalsContact CG-CB 3.47Å; D1571-N1585 WeakPolarHBondContact OD2-CB 2.97Å; D1582-N1585 WeakPolarHBondContact O-CA 3.47Å; D1582-N1585 PolarHBondContact O-N 2.72Å; D1582-N1585 PolarHBondContact O-ND2 2.71Å; D1582-N1585 WeakPolarHBondContact OD1-CA 3.49Å
1586	D	79.4	Confident	72.4	Confident	124 Å²	124	63.4 Å²	63.4	66%	0.663	35%	0.351	S	S	*	.	S	Bend	trans	-57.4	-39.7	160.9	-179.1	-81.5	0	0	0	110	D1584	D1584-D1586 VanDerWaalsContact C-N 3.35Å; D1584-D1586 PolarHBondContact O-N 2.96Å; D1584-D1586 WeakPolarHBondContact OD1-CA 3.26Å; D1584-D1586 WeakPolarHBondContact OD1-CB 3.43Å; D1584-D1586 PolarHBondContact OD1-N 2.78Å
1587	G	75	Confident	72.9	Confident	51 Å²	51	62.5 Å²	62.5	53%	0.526	35%	0.346	S	S	.	.	S	Bend	trans	117.4	27.1	-176.5	0	0	0	0	0	114.1	D1582	D1582-G1587 WeakPolarHBondContact OD1-CA 3.43Å; D1582-G1587 PolarHBondContact OD1-N 3.22Å
1588	I	71.5	Confident	73.1	Confident	59 Å²	59	62.7 Å²	62.7	30%	0.303	36%	0.355	S	S	.	.			trans	-114.5	129.3	167.8	-55.7	172.7	0	0	0	105.1	D1582 E1592 D1593	D1582-I1588 PolarHBondContact OD1-N 3.09Å; D1582-I1588 VanDerWaalsContact OD1-O 3.13Å; I1588-E1592 VanDerWaalsContact CG2-C 3.44Å; I1588-E1592 HydrophobicContact CG2-CB 3.87Å; I1588-E1592 WeakPolarHBondContact CG2-O 3.32Å; I1588-D1593 HydrophobicContact CB-CB 4.16Å; I1588-D1593 WeakPolarHBondContact CB-OD2 3.03Å; I1588-D1593 HydrophobicContact CG2-CB 3.67Å
1589	P	78.2	Confident	73.5	Confident	37 Å²	37	61.1 Å²	61.1	24%	0.24	35%	0.35	C	S	.	.			trans	-74	147	176.3	32.5	-34.7	0	0	0	110.1	D1581 S1591 E1592 D1593	D1581-P1589 WeakPolarHBondContact O-CA 3.31Å; D1581-P1589 WeakPolarHBondContact O-CB 3.23Å; P1589-S1591 PolarHBondContact O-N 3.2Å; P1589-E1592 HydrophobicContact CG-CB 3.95Å; P1589-E1592 HydrophobicContact CG-CG 3.9Å; P1589-E1592 CarbonylContact O-C 3.21Å; P1589-E1592 WeakPolarHBondContact O-CA 3.36Å; P1589-E1592 PolarHBondContact O-N 2.71Å; P1589-D1593 PolarHBondContact O-N 3.28Å; P1589-D1593 VanDerWaalsContact O-N 3.14Å
1590	D	71	Confident	73.3	Confident	45 Å²	45	59.1 Å²	59.1	24%	0.241	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-43.8	-43.4	-179.7	-18.9	-58	0	0	0	112.6	D1581 D1582 D1583 E1592 D1593 S1596	D1581-D1590 VanDerWaalsContact C-OD2 3.31Å; D1581-D1590 WeakPolarHBondContact CA-OD2 3.18Å; D1582-D1590 WeakPolarHBondContact CA-OD1 3.46Å; D1582-D1590 PolarHBondContact N-OD1 3.11Å; D1582-D1590 PolarHBondContact N-OD2 3.23Å; D1583-D1590 WeakPolarHBondContact CB-OD1 3.4Å; D1583-D1590 PolarHBondContact N-OD1 2.71Å; D1590-E1592 PolarHBondContact O-N 2.99Å; D1590-D1593 PolarHBondContact O-N 3.32Å; D1590-D1593 VanDerWaalsContact O-N 3.13Å; D1590-S1596 WeakPolarHBondContact CA-OG 3.47Å; D1590-S1596 PolarHBondContact O-OG 3Å
1591	S	71.6	Confident	72.6	Confident	110 Å²	110	61.7 Å²	61.7	77%	0.769	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-66	2.7	174.1	61.2	0	0	0	0	116.7	P1589	P1589-S1591 PolarHBondContact O-N 3.2Å
1592	E	65.5	Low	71.9	Confident	152 Å²	152	55.8 Å²	55.8	71%	0.71	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-138.3	4.6	175.6	-62	-177.4	-172.1	0	0	111.6	I1588 P1589 D1590	I1588-E1592 VanDerWaalsContact CG2-C 3.44Å; I1588-E1592 HydrophobicContact CG2-CB 3.87Å; I1588-E1592 WeakPolarHBondContact CG2-O 3.32Å; P1589-E1592 HydrophobicContact CG-CB 3.95Å; P1589-E1592 HydrophobicContact CG-CG 3.9Å; P1589-E1592 CarbonylContact O-C 3.21Å; P1589-E1592 WeakPolarHBondContact O-CA 3.36Å; P1589-E1592 PolarHBondContact O-N 2.71Å; D1590-E1592 PolarHBondContact O-N 2.99Å
1593	D	69.3	Low	71.1	Confident	30 Å²	30	56.5 Å²	56.5	16%	0.16	34%	0.342	C	S	.	.			trans	-112.3	129.9	-176.4	-147.2	-23	0	0	0	111.3	I1588 P1589 D1590 S1596	I1588-D1593 HydrophobicContact CB-CB 4.16Å; I1588-D1593 WeakPolarHBondContact CB-OD2 3.03Å; I1588-D1593 HydrophobicContact CG2-CB 3.67Å; P1589-D1593 PolarHBondContact O-N 3.28Å; P1589-D1593 VanDerWaalsContact O-N 3.14Å; D1590-D1593 PolarHBondContact O-N 3.32Å; D1590-D1593 VanDerWaalsContact O-N 3.13Å; D1593-S1596 PolarHBondContact O-OG 3.02Å
1594	P	69.7	Low	70.1	Confident	39 Å²	39	58.1 Å²	58.1	25%	0.253	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-23.4	178	-19.8	34.3	0	0	0	115	P1602 D1603 C1709	P1594-P1602 CarbonylContact O-C 3.39Å; P1594-P1602 VanDerWaalsContact O-CA 3.3Å; P1594-P1602 WeakPolarHBondContact O-CA 3.17Å; P1594-P1602 WeakPolarHBondContact O-CB 3.13Å; P1594-D1603 PolarHBondContact O-N 3Å; P1594-C1709 HydrophobicContact CB-CB 4.05Å; P1594-C1709 WeakPolarHBondContact CB-O 3.48Å
1595	D	73.4	Confident	69.4	Low	47 Å²	47	57.4 Å²	57.4	25%	0.251	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	58.6	-178.3	174	28	0	0	0	107.1	N1597 G1598 D1599 G1600	D1595-N1597 PolarHBondContact O-N 3.26Å; D1595-G1598 WeakPolarHBondContact O-CA 3.44Å; D1595-G1598 PolarHBondContact O-N 3.36Å; D1595-G1598 VanDerWaalsContact OD1-CA 3.27Å; D1595-G1598 WeakPolarHBondContact OD1-CA 3.46Å; D1595-G1598 PolarHBondContact OD1-N 3.1Å; D1595-D1599 PolarHBondContact OD1-N 3.25Å; D1595-G1600 PolarHBondContact OD1-N 3.08Å; D1595-G1600 PolarHBondContact OD2-N 3.48Å
1596	S	77.5	Confident	69.1	Low	10 Å²	10	57.9 Å²	57.9	7%	0.07	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-42.4	-174.9	-59.5	0	0	0	0	111	D1583 D1584 D1590 D1593 G1598 D1603	D1583-S1596 WeakPolarHBondContact CB-O 3.46Å; D1584-S1596 PolarHBondContact N-O 2.79Å; D1584-S1596 VanDerWaalsContact N-O 3.16Å; D1590-S1596 WeakPolarHBondContact CA-OG 3.47Å; D1590-S1596 PolarHBondContact O-OG 3Å; D1593-S1596 PolarHBondContact O-OG 3.02Å; S1596-G1598 PolarHBondContact O-N 3.04Å; S1596-D1603 WeakPolarHBondContact CA-OD2 3.28Å; S1596-D1603 WeakPolarHBondContact CB-OD2 3.29Å; S1596-D1603 PolarHBondContact N-OD2 3.31Å; S1596-D1603 PolarHBondContact OG-OD2 3.19Å
1597	N	72.1	Confident	68.3	Low	14 Å²	14	58.2 Å²	58.2	8%	0.075	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-11.2	178.9	95.5	6.7	0	0	0	113.6	Q1568 S1570 D1595 D1599	Q1568-N1597 PolarHBondContact NE2-ND2 3.1Å; Q1568-N1597 VanDerWaalsContact NE2-ND2 3.15Å; S1570-N1597 WeakPolarHBondContact CB-O 3.44Å; S1570-N1597 VanDerWaalsContact OG-C 3.32Å; S1570-N1597 VanDerWaalsContact OG-CA 3.31Å; S1570-N1597 WeakPolarHBondContact OG-CA 3.36Å; S1570-N1597 PolarHBondContact OG-O 2.86Å; D1595-N1597 PolarHBondContact O-N 3.26Å; N1597-D1599 PolarHBondContact ND2-OD2 3.11Å; N1597-D1599 PolarHBondContact O-N 3.01Å; N1597-D1599 VanDerWaalsContact O-N 3.13Å; N1597-D1599 WeakPolarHBondContact OD1-CB 3.37Å; N1597-D1599 PolarHBondContact OD1-N 2.98Å; N1597-D1599 PolarHBondContact OD1-OD2 2.74Å
1598	G	68.3	Low	67.8	Low	32 Å²	32	58.7 Å²	58.7	33%	0.33	34%	0.341	S	S	.	.			trans	61.3	16.2	175.4	0	0	0	0	0	116	D1595 S1596	D1595-G1598 WeakPolarHBondContact O-CA 3.44Å; D1595-G1598 PolarHBondContact O-N 3.36Å; D1595-G1598 VanDerWaalsContact OD1-CA 3.27Å; D1595-G1598 WeakPolarHBondContact OD1-CA 3.46Å; D1595-G1598 PolarHBondContact OD1-N 3.1Å; S1596-G1598 PolarHBondContact O-N 3.04Å
1599	D	72.2	Confident	67.7	Low	89 Å²	89	59.5 Å²	59.5	48%	0.476	35%	0.352	S	S	.	.	S	Bend	trans	-82.2	-22.1	178.1	90.3	40.7	0	0	0	112.1	D1595 N1597 I1601	D1595-D1599 PolarHBondContact OD1-N 3.25Å; N1597-D1599 PolarHBondContact ND2-OD2 3.11Å; N1597-D1599 PolarHBondContact O-N 3.01Å; N1597-D1599 VanDerWaalsContact O-N 3.13Å; N1597-D1599 WeakPolarHBondContact OD1-CB 3.37Å; N1597-D1599 PolarHBondContact OD1-N 2.98Å; N1597-D1599 PolarHBondContact OD1-OD2 2.74Å; D1599-I1601 WeakPolarHBondContact OD1-CB 3.33Å; D1599-I1601 WeakPolarHBondContact OD1-CG1 3.23Å; D1599-I1601 PolarHBondContact OD1-N 3.29Å
1600	G	69.1	Low	67.3	Low	53 Å²	53	60.3 Å²	60.3	55%	0.546	35%	0.354	S	S	.	.	S	Bend	trans	94.3	17	-178.3	0	0	0	0	0	114.3	D1595	D1595-G1600 PolarHBondContact OD1-N 3.08Å; D1595-G1600 PolarHBondContact OD2-N 3.48Å
1601	I	56.9	Low	66.9	Low	85 Å²	85	60.3 Å²	60.3	44%	0.436	37%	0.365	S	S	.	.	S	Bend	trans	-108.4	113.3	157.7	-60.2	172.1	0	0	0	106.7	D1599 I1605 V1606	D1599-I1601 WeakPolarHBondContact OD1-CB 3.33Å; D1599-I1601 WeakPolarHBondContact OD1-CG1 3.23Å; D1599-I1601 PolarHBondContact OD1-N 3.29Å; I1601-I1605 HydrophobicContact CG2-CB 4.37Å; I1601-I1605 HydrophobicContact CG2-CG2 4.41Å; I1601-V1606 HydrophobicContact CG2-CG2 4Å
1602	P	63.7	Low	67.1	Low	11 Å²	11	59 Å²	59	7%	0.071	35%	0.349	C	S	.	.			trans	-67	153.2	-177	-29	39.9	0	0	0	116.2	P1594 C1604 I1605 D1708 C1709	P1594-P1602 CarbonylContact O-C 3.39Å; P1594-P1602 VanDerWaalsContact O-CA 3.3Å; P1594-P1602 WeakPolarHBondContact O-CA 3.17Å; P1594-P1602 WeakPolarHBondContact O-CB 3.13Å; P1602-C1604 PolarHBondContact O-N 2.88Å; P1602-I1605 PolarHBondContact O-N 3.31Å; P1602-D1708 VanDerWaalsContact CB-O 3.28Å; P1602-D1708 WeakPolarHBondContact CB-O 3.11Å; P1602-D1708 VanDerWaalsContact CG-O 3.32Å; P1602-D1708 WeakPolarHBondContact CG-O 3.21Å; P1602-C1709 HydrophobicContact CB-CB 3.22Å; P1602-C1709 WeakPolarHBondContact CB-O 3.46Å; P1602-C1709 HydrophobicContact CG-CB 4.24Å; P1602-C1709 WeakPolarHBondContact CG-O 3.21Å
1603	D	62.9	Low	66.7	Low	53 Å²	53	58 Å²	58	28%	0.283	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-65.9	-32.4	-163.6	-65.6	-51.5	0	0	0	114.3	P1594 S1596 I1605 V1606	P1594-D1603 PolarHBondContact O-N 3Å; S1596-D1603 WeakPolarHBondContact CA-OD2 3.28Å; S1596-D1603 WeakPolarHBondContact CB-OD2 3.29Å; S1596-D1603 PolarHBondContact N-OD2 3.31Å; S1596-D1603 PolarHBondContact OG-OD2 3.19Å; D1603-I1605 VanDerWaalsContact C-N 3.26Å; D1603-I1605 PolarHBondContact O-N 3.47Å; D1603-V1606 PolarHBondContact O-N 3.5Å
1604	C	58.4	Low	66.1	Low	46 Å²	46	59.4 Å²	59.4	31%	0.311	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-67.4	-24.9	-179.8	54.4	0	0	0	0	113.4	P1602 V1606 H1707 C1709	P1602-C1604 PolarHBondContact O-N 2.88Å; C1604-V1606 PolarHBondContact O-N 3.36Å; C1604-H1707 PolarHBondContact SG-O 2.86Å; C1604-H1707 VanDerWaalsContact SG-O 3.38Å; C1604-C1709 HydrophobicContact CB-CB 4.37Å; C1604-C1709 WeakPolarHBondContact CB-SG 3.41Å; C1604-C1709 WeakPolarHBondContact SG-CB 3.08Å; C1604-C1709 PolarHBondContact SG-N 3.22Å; C1604-C1709 CovalentContact SG-SG 2.05Å; C1604-C1709 PolarHBondContact SG-SG 3.17Å
1605	I	62.9	Low	66	Low	45 Å²	45	59.3 Å²	59.3	23%	0.231	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-71.2	-19	173.8	-55.2	-177.9	0	0	0	111.3	I1601 P1602 D1603 H1617 D1708 N1722	I1601-I1605 HydrophobicContact CG2-CB 4.37Å; I1601-I1605 HydrophobicContact CG2-CG2 4.41Å; P1602-I1605 PolarHBondContact O-N 3.31Å; D1603-I1605 VanDerWaalsContact C-N 3.26Å; D1603-I1605 PolarHBondContact O-N 3.47Å; I1605-H1617 PolarHBondContact O-CE1 3.27Å; I1605-H1617 PolarHBondContact O-ND1 2.79Å; I1605-D1708 WeakPolarHBondContact CD1-O 3.43Å; I1605-N1722 HydrophobicContact CD1-CB 4.23Å
1606	V	62.3	Low	65.6	Low	84 Å²	84	58.6 Å²	58.6	51%	0.509	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-105.3	11.2	-171.9	-153	0	0	0	0	113.1	I1601 D1603 C1604	I1601-V1606 HydrophobicContact CG2-CG2 4Å; D1603-V1606 PolarHBondContact O-N 3.5Å; C1604-V1606 PolarHBondContact O-N 3.36Å
1607	K	62.6	Low	64.9	Low	130 Å²	130	63.9 Å²	63.9	57%	0.565	37%	0.37	S	S	*	.			trans	-73.1	136.1	179.3	-141	176.5	178.1	-169.8	0	111.1	P1615 D1616	K1607-P1615 CarbonylContact O-C 3.57Å; K1607-P1615 WeakPolarHBondContact O-CA 3.25Å; K1607-P1615 VanDerWaalsContact O-CB 3.29Å; K1607-P1615 WeakPolarHBondContact O-CB 3.24Å; K1607-D1616 WeakPolarHBondContact CB-OD2 3.26Å; K1607-D1616 WeakPolarHBondContact CD-OD2 3.34Å; K1607-D1616 WeakPolarHBondContact CG-OD2 3.28Å; K1607-D1616 PolarHBondContact O-N 2.94Å
1608	D	64.8	Low	64.8	Low	61 Å²	61	68.2 Å²	68.2	33%	0.326	39%	0.392	S	S	.	.			trans	-143.8	101.6	-177.6	171.8	-3.5	0	0	0	106.7	G1611 D1612 H1613 D1616	D1608-G1611 WeakPolarHBondContact OD1-CA 3.32Å; D1608-G1611 PolarHBondContact OD1-N 3.01Å; D1608-D1612 PolarHBondContact OD1-N 2.67Å; D1608-H1613 WeakPolarHBondContact OD2-CA 3.14Å; D1608-H1613 PolarHBondContact OD2-N 2.59Å; D1608-H1613 IonicContact OD2-ND1 2.62Å; D1608-H1613 PolarHBondContact OD2-ND1 3.18Å; D1608-D1616 VanDerWaalsContact CA-OD1 3.22Å; D1608-D1616 WeakPolarHBondContact CA-OD1 3.15Å; D1608-D1616 PolarHBondContact N-OD1 3.08Å
1609	S	70	Confident	64.8	Low	76 Å²	76	68.1 Å²	68.1	53%	0.531	38%	0.384	S	S	.	.	S	Bend	trans	-91	-29.9	-162.9	-78.6	0	0	0	0	115	D1616 D1622	S1609-D1616 VanDerWaalsContact CB-OD1 3.29Å; S1609-D1616 WeakPolarHBondContact CB-OD1 3.49Å; S1609-D1616 PolarHBondContact N-OD1 2.78Å; S1609-D1616 VanDerWaalsContact OG-CG 3.3Å; S1609-D1616 PolarHBondContact OG-OD1 2.8Å; S1609-D1616 PolarHBondContact OG-OD2 3.43Å; S1609-D1622 CarbonylContact C-O 3.58Å; S1609-D1622 VanDerWaalsContact CB-O 3.26Å; S1609-D1622 WeakPolarHBondContact CB-O 3.08Å
1610	D	69.7	Low	64.6	Low	54 Å²	54	68 Å²	68	29%	0.289	39%	0.386	S	S	.	.	S	Bend	trans	-94.8	-28.7	173.5	94.7	-48.2	0	0	0	113.3	D1612 D1622 N1624	D1610-D1612 VanDerWaalsContact OD1-CB 3.23Å; D1610-D1612 WeakPolarHBondContact OD1-CB 3.43Å; D1610-D1612 PolarHBondContact OD1-N 2.77Å; D1610-D1622 WeakPolarHBondContact CB-O 2.97Å; D1610-D1622 PolarHBondContact N-O 3.31Å; D1610-D1622 VanDerWaalsContact N-O 3.08Å; D1610-N1624 HydrophobicContact CB-CB 4.06Å; D1610-N1624 WeakPolarHBondContact OD2-CB 3.29Å; D1610-N1624 PolarHBondContact OD2-ND2 3.46Å
1611	G	61.7	Low	65	Low	45 Å²	45	67 Å²	67	46%	0.464	37%	0.369	S	S	.	.	S	Bend	trans	94.4	23	-174.6	0	0	0	0	0	116.1	D1608 H1613	D1608-G1611 WeakPolarHBondContact OD1-CA 3.32Å; D1608-G1611 PolarHBondContact OD1-N 3.01Å; G1611-H1613 VanDerWaalsContact C-N 3.33Å
1612	D	75.7	Confident	65.9	Low	84 Å²	84	63.5 Å²	63.5	45%	0.449	35%	0.351	S	S	.	.	S	Bend	trans	-72.2	-23.6	175.1	-177.8	-86.1	0	0	0	113	D1608 D1610 I1614	D1608-D1612 PolarHBondContact OD1-N 2.67Å; D1610-D1612 VanDerWaalsContact OD1-CB 3.23Å; D1610-D1612 WeakPolarHBondContact OD1-CB 3.43Å; D1610-D1612 PolarHBondContact OD1-N 2.77Å; D1612-I1614 VanDerWaalsContact OD1-CD1 3.31Å; D1612-I1614 WeakPolarHBondContact OD1-CD1 3.36Å; D1612-I1614 VanDerWaalsContact OD1-CG1 3.3Å; D1612-I1614 WeakPolarHBondContact OD1-CG1 3.41Å
1613	H	58.4	Low	66.4	Low	131 Å²	131	67.4 Å²	67.4	61%	0.606	37%	0.371	S	S	*	.	S	Bend	trans	76.4	26	-166.9	-46.8	-36.2	0	0	0	115.2	D1608 G1611	D1608-H1613 WeakPolarHBondContact OD2-CA 3.14Å; D1608-H1613 PolarHBondContact OD2-N 2.59Å; D1608-H1613 IonicContact OD2-ND1 2.62Å; D1608-H1613 PolarHBondContact OD2-ND1 3.18Å; G1611-H1613 VanDerWaalsContact C-N 3.33Å
1614	I	56.6	Low	66.4	Low	59 Å²	59	69.1 Å²	69.1	30%	0.303	38%	0.38	S	S	.	.	S	Bend	trans	-105.3	126.5	155.1	-60.5	169	0	0	0	105.7	D1612 I1618 D1619	D1612-I1614 VanDerWaalsContact OD1-CD1 3.31Å; D1612-I1614 WeakPolarHBondContact OD1-CD1 3.36Å; D1612-I1614 VanDerWaalsContact OD1-CG1 3.3Å; D1612-I1614 WeakPolarHBondContact OD1-CG1 3.41Å; I1614-I1618 HydrophobicContact CG2-CB 3.73Å; I1614-I1618 HydrophobicContact CG2-CG2 4.47Å; I1614-I1618 WeakPolarHBondContact CG2-O 3.01Å; I1614-D1619 HydrophobicContact CB-CB 3.95Å; I1614-D1619 HydrophobicContact CG2-CB 3.66Å
1615	P	65.8	Low	67.3	Low	37 Å²	37	71.9 Å²	71.9	24%	0.24	39%	0.392	C	S	.	.			trans	-65	151.2	175.6	-21.7	33.5	0	0	0	112.1	K1607 H1617 I1618 D1619	K1607-P1615 CarbonylContact O-C 3.57Å; K1607-P1615 WeakPolarHBondContact O-CA 3.25Å; K1607-P1615 VanDerWaalsContact O-CB 3.29Å; K1607-P1615 WeakPolarHBondContact O-CB 3.24Å; P1615-H1617 PolarHBondContact O-N 2.79Å; P1615-I1618 HydrophobicContact CB-CG1 4.48Å; P1615-I1618 HydrophobicContact CG-CD1 4.26Å; P1615-I1618 WeakPolarHBondContact O-CA 2.87Å; P1615-I1618 PolarHBondContact O-N 2.85Å; P1615-D1619 PolarHBondContact O-N 2.69Å; P1615-D1619 VanDerWaalsContact O-N 3.14Å
1616	D	65.4	Low	67.7	Low	31 Å²	31	72.3 Å²	72.3	17%	0.166	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-41.5	-177.9	-60.2	2.3	0	0	0	112.4	K1607 D1608 S1609 I1618 D1622	K1607-D1616 WeakPolarHBondContact CB-OD2 3.26Å; K1607-D1616 WeakPolarHBondContact CD-OD2 3.34Å; K1607-D1616 WeakPolarHBondContact CG-OD2 3.28Å; K1607-D1616 PolarHBondContact O-N 2.94Å; D1608-D1616 VanDerWaalsContact CA-OD1 3.22Å; D1608-D1616 WeakPolarHBondContact CA-OD1 3.15Å; D1608-D1616 PolarHBondContact N-OD1 3.08Å; S1609-D1616 VanDerWaalsContact CB-OD1 3.29Å; S1609-D1616 WeakPolarHBondContact CB-OD1 3.49Å; S1609-D1616 PolarHBondContact N-OD1 2.78Å; S1609-D1616 VanDerWaalsContact OG-CG 3.3Å; S1609-D1616 PolarHBondContact OG-OD1 2.8Å; S1609-D1616 PolarHBondContact OG-OD2 3.43Å; D1616-I1618 PolarHBondContact O-N 2.99Å; D1616-D1622 WeakPolarHBondContact CA-OD2 3.31Å; D1616-D1622 WeakPolarHBondContact CB-OD2 3.31Å
1617	H	62.7	Low	67.7	Low	121 Å²	121	71.2 Å²	71.2	56%	0.56	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	4.3	178	76.3	-88.1	0	0	0	115.4	I1605 P1615	I1605-H1617 PolarHBondContact O-CE1 3.27Å; I1605-H1617 PolarHBondContact O-ND1 2.79Å; P1615-H1617 PolarHBondContact O-N 2.79Å
1618	I	71.2	Confident	68	Low	105 Å²	105	67.3 Å²	67.3	54%	0.538	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.6	-10.1	-179.9	-24.2	178.4	0	0	0	113.7	I1614 P1615 D1616	I1614-I1618 HydrophobicContact CG2-CB 3.73Å; I1614-I1618 HydrophobicContact CG2-CG2 4.47Å; I1614-I1618 WeakPolarHBondContact CG2-O 3.01Å; P1615-I1618 HydrophobicContact CB-CG1 4.48Å; P1615-I1618 HydrophobicContact CG-CD1 4.26Å; P1615-I1618 WeakPolarHBondContact O-CA 2.87Å; P1615-I1618 PolarHBondContact O-N 2.85Å; D1616-I1618 PolarHBondContact O-N 2.99Å
1619	D	68.1	Low	68	Low	31 Å²	31	64.9 Å²	64.9	17%	0.166	37%	0.373	C	S	.	.			trans	-84.3	-178.2	173	-157.7	10.5	0	0	0	110.8	I1614 P1615 D1622	I1614-D1619 HydrophobicContact CB-CB 3.95Å; I1614-D1619 HydrophobicContact CG2-CB 3.66Å; P1615-D1619 PolarHBondContact O-N 2.69Å; P1615-D1619 VanDerWaalsContact O-N 3.14Å; D1619-D1622 WeakPolarHBondContact CB-OD1 3.33Å
1620	T	68.3	Low	67.7	Low	85 Å²	85	64.9 Å²	64.9	52%	0.521	37%	0.367	S	S	.	.	S	Bend	trans	-149.2	17.8	-174.6	16.1	0	0	0	0	112.5	P1628 D1629	T1620-P1628 WeakPolarHBondContact O-CA 3.31Å; T1620-P1628 WeakPolarHBondContact O-CB 3.42Å; T1620-D1629 WeakPolarHBondContact CA-OD2 3.3Å
1621	D	77.5	Confident	67.3	Low	33 Å²	33	68 Å²	68	18%	0.176	38%	0.38	C	S	.	.	S	Bend	trans	-160.6	53.1	171.8	-145.1	-55.8	0	0	0	105.6	D1623 N1624 G1626 I1627 D1629	D1621-D1623 PolarHBondContact O-N 3.44Å; D1621-N1624 WeakPolarHBondContact O-CA 3.17Å; D1621-N1624 PolarHBondContact O-N 2.96Å; D1621-N1624 WeakPolarHBondContact OD1-CA 3.27Å; D1621-G1626 WeakPolarHBondContact OD1-CA 3.12Å; D1621-G1626 PolarHBondContact OD1-N 3.31Å; D1621-G1626 WeakPolarHBondContact OD2-CA 3.06Å; D1621-I1627 PolarHBondContact OD1-N 3.47Å; D1621-D1629 WeakPolarHBondContact CA-OD2 3.14Å; D1621-D1629 PolarHBondContact N-OD2 2.61Å
1622	D	75	Confident	67.4	Low	11 Å²	11	66.4 Å²	66.4	6%	0.059	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-10	-168.3	-72.8	11.1	0	0	0	115.6	S1609 D1610 D1616 D1619 D1629 H1635	S1609-D1622 CarbonylContact C-O 3.58Å; S1609-D1622 VanDerWaalsContact CB-O 3.26Å; S1609-D1622 WeakPolarHBondContact CB-O 3.08Å; D1610-D1622 WeakPolarHBondContact CB-O 2.97Å; D1610-D1622 PolarHBondContact N-O 3.31Å; D1610-D1622 VanDerWaalsContact N-O 3.08Å; D1616-D1622 WeakPolarHBondContact CA-OD2 3.31Å; D1616-D1622 WeakPolarHBondContact CB-OD2 3.31Å; D1619-D1622 WeakPolarHBondContact CB-OD1 3.33Å; D1622-D1629 WeakPolarHBondContact CB-OD1 2.94Å; D1622-D1629 VanDerWaalsContact N-CG 3.33Å; D1622-D1629 PolarHBondContact N-OD1 3.31Å; D1622-D1629 PolarHBondContact N-OD2 3.11Å; D1622-H1635 IonicContact OD2-CE1 3.86Å; D1622-H1635 IonicContact OD2-NE2 3.59Å; D1622-H1635 PolarHBondContact OD2-NE2 3.3Å
1623	D	75.3	Confident	66.9	Low	93 Å²	93	66.5 Å²	66.5	50%	0.497	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-10.3	171.8	120.1	-56.7	0	0	0	113.6	D1621 D1625	D1621-D1623 PolarHBondContact O-N 3.44Å; D1623-D1625 VanDerWaalsContact C-N 3.34Å; D1623-D1625 PolarHBondContact O-N 2.98Å; D1623-D1625 WeakPolarHBondContact OD1-CB 3.36Å; D1623-D1625 PolarHBondContact OD1-N 3.47Å
1624	N	61.6	Low	67.2	Low	90 Å²	90	67.8 Å²	67.8	48%	0.481	38%	0.377	S	S	.	.			trans	56.3	30.8	-177.5	-126.3	-63.6	0	0	0	115.5	D1610 D1621 G1626	D1610-N1624 HydrophobicContact CB-CB 4.06Å; D1610-N1624 WeakPolarHBondContact OD2-CB 3.29Å; D1610-N1624 PolarHBondContact OD2-ND2 3.46Å; D1621-N1624 WeakPolarHBondContact O-CA 3.17Å; D1621-N1624 PolarHBondContact O-N 2.96Å; D1621-N1624 WeakPolarHBondContact OD1-CA 3.27Å; N1624-G1626 PolarHBondContact O-N 3.33Å
1625	D	78.7	Confident	67.6	Low	104 Å²	104	66.1 Å²	66.1	56%	0.556	37%	0.368	S	S	*	.	S	Bend	trans	-55.7	-32.8	165.7	178	-86	0	0	0	111.3	D1623 I1627	D1623-D1625 VanDerWaalsContact C-N 3.34Å; D1623-D1625 PolarHBondContact O-N 2.98Å; D1623-D1625 WeakPolarHBondContact OD1-CB 3.36Å; D1623-D1625 PolarHBondContact OD1-N 3.47Å; D1625-I1627 VanDerWaalsContact OD1-CD1 3.3Å; D1625-I1627 WeakPolarHBondContact OD1-CD1 3.5Å; D1625-I1627 VanDerWaalsContact OD1-CG1 3.31Å; D1625-I1627 WeakPolarHBondContact OD1-CG1 3.19Å
1626	G	69.5	Low	67.3	Low	54 Å²	54	69.6 Å²	69.6	56%	0.557	39%	0.391	S	S	*	.	S	Bend	trans	96	24.9	-170.7	0	0	0	0	0	112.9	D1621 N1624	D1621-G1626 WeakPolarHBondContact OD1-CA 3.12Å; D1621-G1626 PolarHBondContact OD1-N 3.31Å; D1621-G1626 WeakPolarHBondContact OD2-CA 3.06Å; N1624-G1626 PolarHBondContact O-N 3.33Å
1627	I	62.4	Low	67	Low	61 Å²	61	71.6 Å²	71.6	31%	0.313	40%	0.401	S	S	.	.	S	Bend	trans	-123.8	121.5	165.4	-59	167.7	0	0	0	105	D1621 D1625 Q1631 D1632	D1621-I1627 PolarHBondContact OD1-N 3.47Å; D1625-I1627 VanDerWaalsContact OD1-CD1 3.3Å; D1625-I1627 WeakPolarHBondContact OD1-CD1 3.5Å; D1625-I1627 VanDerWaalsContact OD1-CG1 3.31Å; D1625-I1627 WeakPolarHBondContact OD1-CG1 3.19Å; I1627-Q1631 HydrophobicContact CG2-CB 3.77Å; I1627-Q1631 WeakPolarHBondContact CG2-O 3.12Å; I1627-D1632 HydrophobicContact CB-CB 3.93Å; I1627-D1632 HydrophobicContact CG2-CB 3.82Å
1628	P	70.4	Confident	66.8	Low	48 Å²	48	68.3 Å²	68.3	31%	0.312	39%	0.385	S	S	.	.			trans	-58.3	150.2	179.1	-27.3	36.5	0	0	0	112.4	T1620 L1630 Q1631 D1632	T1620-P1628 WeakPolarHBondContact O-CA 3.31Å; T1620-P1628 WeakPolarHBondContact O-CB 3.42Å; P1628-L1630 VanDerWaalsContact C-N 3.25Å; P1628-L1630 PolarHBondContact O-N 3.37Å; P1628-Q1631 HydrophobicContact CB-CB 4.45Å; P1628-Q1631 CarbonylContact O-C 3.57Å; P1628-Q1631 VanDerWaalsContact O-C 3.25Å; P1628-Q1631 WeakPolarHBondContact O-CA 3.48Å; P1628-Q1631 WeakPolarHBondContact O-CB 3.37Å; P1628-Q1631 PolarHBondContact O-N 3.18Å; P1628-D1632 PolarHBondContact O-N 3.29Å
1629	D	64.7	Low	66.2	Low	10 Å²	10	67.6 Å²	67.6	5%	0.053	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-53.5	-43.1	-175.4	-52.9	-50	0	0	0	113.3	T1620 D1621 D1622 Q1631 D1632 H1635	T1620-D1629 WeakPolarHBondContact CA-OD2 3.3Å; D1621-D1629 WeakPolarHBondContact CA-OD2 3.14Å; D1621-D1629 PolarHBondContact N-OD2 2.61Å; D1622-D1629 WeakPolarHBondContact CB-OD1 2.94Å; D1622-D1629 VanDerWaalsContact N-CG 3.33Å; D1622-D1629 PolarHBondContact N-OD1 3.31Å; D1622-D1629 PolarHBondContact N-OD2 3.11Å; D1629-Q1631 PolarHBondContact O-N 2.84Å; D1629-D1632 PolarHBondContact O-N 3.42Å; D1629-H1635 HydrophobicContact CB-CB 4.5Å; D1629-H1635 WeakPolarHBondContact CB-ND1 3.28Å; D1629-H1635 IonicContact OD1-CD2 3.19Å; D1629-H1635 PolarHBondContact OD1-CD2 3Å; D1629-H1635 IonicContact OD1-CG 3.11Å; D1629-H1635 IonicContact OD1-NE2 3.98Å
1630	L	62.9	Low	65.7	Low	76 Å²	76	72.2 Å²	72.2	40%	0.398	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-64.9	26.9	169.3	-60.1	168.4	0	0	0	113	P1628 L1641	P1628-L1630 VanDerWaalsContact C-N 3.25Å; P1628-L1630 PolarHBondContact O-N 3.37Å; L1630-L1641 HydrophobicContact CB-CD1 3.71Å; L1630-L1641 HydrophobicContact CB-CG 3.99Å; L1630-L1641 HydrophobicContact CD2-CD1 4.43Å; L1630-L1641 HydrophobicContact CD2-CG 4.02Å; L1630-L1641 HydrophobicContact CG-CD1 4.49Å; L1630-L1641 WeakPolarHBondContact O-CD1 3.29Å
1631	Q	61.7	Low	65.1	Low	119 Å²	119	71.6 Å²	71.6	56%	0.556	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-173.6	-13.9	-171.1	-112.3	148.6	104.2	0	0	114.4	I1627 P1628 D1629 F1638	I1627-Q1631 HydrophobicContact CG2-CB 3.77Å; I1627-Q1631 WeakPolarHBondContact CG2-O 3.12Å; P1628-Q1631 HydrophobicContact CB-CB 4.45Å; P1628-Q1631 CarbonylContact O-C 3.57Å; P1628-Q1631 VanDerWaalsContact O-C 3.25Å; P1628-Q1631 WeakPolarHBondContact O-CA 3.48Å; P1628-Q1631 WeakPolarHBondContact O-CB 3.37Å; P1628-Q1631 PolarHBondContact O-N 3.18Å; D1629-Q1631 PolarHBondContact O-N 2.84Å; Q1631-F1638 VanDerWaalsContact O-CE2 3.3Å; Q1631-F1638 WeakPolarHBondContact O-CE2 3.18Å
1632	D	63.5	Low	64.2	Low	12 Å²	12	73.2 Å²	73.2	6%	0.064	40%	0.396	C	S	.	.			trans	-94.4	117.1	179.1	-176.5	57.9	0	0	0	113.8	I1627 P1628 D1629 D1634 H1635 F1638	I1627-D1632 HydrophobicContact CB-CB 3.93Å; I1627-D1632 HydrophobicContact CG2-CB 3.82Å; P1628-D1632 PolarHBondContact O-N 3.29Å; D1629-D1632 PolarHBondContact O-N 3.42Å; D1632-D1634 PolarHBondContact O-N 3.46Å; D1632-D1634 VanDerWaalsContact O-N 3.08Å; D1632-D1634 WeakPolarHBondContact OD2-CA 3.42Å; D1632-D1634 WeakPolarHBondContact OD2-CB 3.16Å; D1632-D1634 PolarHBondContact OD2-N 3.47Å; D1632-H1635 HydrophobicContact CB-CB 4.26Å; D1632-H1635 PolarHBondContact O-N 2.94Å; D1632-H1635 VanDerWaalsContact O-N 3.1Å; D1632-H1635 PolarHBondContact OD2-N 2.93Å; D1632-F1638 VanDerWaalsContact O-CB 3.23Å; D1632-F1638 WeakPolarHBondContact O-CB 3.38Å; D1632-F1638 VanDerWaalsContact O-CD2 3.29Å; D1632-F1638 WeakPolarHBondContact O-CD2 3.46Å; D1632-F1638 WeakPolarHBondContact O-CG 3.4Å
1633	P	66.1	Low	63.6	Low	85 Å²	85	75.2 Å²	75.2	55%	0.552	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	0.4	-177.7	-19.7	33.2	0	0	0	117.6	F1638	P1633-F1638 HydrophobicContact CB-CD1 4.28Å; P1633-F1638 HydrophobicContact CB-CE1 4.12Å; P1633-F1638 HydrophobicContact CB-CZ 4.28Å; P1633-F1638 HydrophobicContact CG-CE1 4.21Å; P1633-F1638 HydrophobicContact CG-CE2 4.02Å; P1633-F1638 HydrophobicContact CG-CZ 3.86Å
1634	D	65	Low	63.4	Low	159 Å²	159	71.8 Å²	71.8	85%	0.85	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-1.4	171.9	-72.2	-22.2	0	0	0	111.5	D1632	D1632-D1634 PolarHBondContact O-N 3.46Å; D1632-D1634 VanDerWaalsContact O-N 3.08Å; D1632-D1634 WeakPolarHBondContact OD2-CA 3.42Å; D1632-D1634 WeakPolarHBondContact OD2-CB 3.16Å; D1632-D1634 PolarHBondContact OD2-N 3.47Å
1635	H	64.2	Low	63.7	Low	23 Å²	23	70.2 Å²	70.2	11%	0.106	38%	0.381	C	S	.	.	S	Bend	trans	-90.6	140.8	176.6	-173.7	-87	0	0	0	113.8	D1622 D1629 D1632 N1637 F1638	D1622-H1635 IonicContact OD2-CE1 3.86Å; D1622-H1635 IonicContact OD2-NE2 3.59Å; D1622-H1635 PolarHBondContact OD2-NE2 3.3Å; D1629-H1635 HydrophobicContact CB-CB 4.5Å; D1629-H1635 WeakPolarHBondContact CB-ND1 3.28Å; D1629-H1635 IonicContact OD1-CD2 3.19Å; D1629-H1635 PolarHBondContact OD1-CD2 3Å; D1629-H1635 IonicContact OD1-CG 3.11Å; D1629-H1635 IonicContact OD1-NE2 3.98Å; D1632-H1635 HydrophobicContact CB-CB 4.26Å; D1632-H1635 PolarHBondContact O-N 2.94Å; D1632-H1635 VanDerWaalsContact O-N 3.1Å; D1632-H1635 PolarHBondContact OD2-N 2.93Å; H1635-N1637 PolarHBondContact CE1-N 3.26Å; H1635-N1637 PolarHBondContact ND1-N 2.76Å; H1635-N1637 PolarHBondContact O-N 2.88Å; H1635-F1638 VanDerWaalsContact O-CB 3.27Å; H1635-F1638 WeakPolarHBondContact O-CB 3.36Å; H1635-F1638 PolarHBondContact O-N 2.81Å; H1635-F1638 VanDerWaalsContact O-N 3.16Å
1636	P	60.4	Low	63	Low	111 Å²	111	74.1 Å²	74.1	72%	0.721	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-37.1	-178.5	21.1	-34.4	0	0	0	115.3	F1638	P1636-F1638 VanDerWaalsContact C-N 3.28Å; P1636-F1638 PolarHBondContact O-N 3.37Å
1637	N	57.7	Low	63.3	Low	73 Å²	73	76.9 Å²	76.9	39%	0.39	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	13.4	179.2	-62.6	-3.8	0	0	0	114.2	H1635 D1639 Y1640	H1635-N1637 PolarHBondContact CE1-N 3.26Å; H1635-N1637 PolarHBondContact ND1-N 2.76Å; H1635-N1637 PolarHBondContact O-N 2.88Å; N1637-D1639 PolarHBondContact O-N 2.65Å; N1637-Y1640 HydrophobicContact CB-CD2 3.82Å; N1637-Y1640 HydrophobicContact CB-CE2 4.08Å; N1637-Y1640 WeakPolarHBondContact O-CB 3.25Å; N1637-Y1640 WeakPolarHBondContact O-CD2 3.42Å; N1637-Y1640 PolarHBondContact O-N 2.9Å
1638	F	58.4	Low	63.5	Low	51 Å²	51	76.7 Å²	76.7	22%	0.224	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-58.6	-49.9	-178.1	176.3	-114.6	0	0	0	113.4	Q1631 D1632 P1633 H1635 P1636 Y1640 L1641	Q1631-F1638 VanDerWaalsContact O-CE2 3.3Å; Q1631-F1638 WeakPolarHBondContact O-CE2 3.18Å; D1632-F1638 VanDerWaalsContact O-CB 3.23Å; D1632-F1638 WeakPolarHBondContact O-CB 3.38Å; D1632-F1638 VanDerWaalsContact O-CD2 3.29Å; D1632-F1638 WeakPolarHBondContact O-CD2 3.46Å; D1632-F1638 WeakPolarHBondContact O-CG 3.4Å; P1633-F1638 HydrophobicContact CB-CD1 4.28Å; P1633-F1638 HydrophobicContact CB-CE1 4.12Å; P1633-F1638 HydrophobicContact CB-CZ 4.28Å; P1633-F1638 HydrophobicContact CG-CE1 4.21Å; P1633-F1638 HydrophobicContact CG-CE2 4.02Å; P1633-F1638 HydrophobicContact CG-CZ 3.86Å; H1635-F1638 VanDerWaalsContact O-CB 3.27Å; H1635-F1638 WeakPolarHBondContact O-CB 3.36Å; H1635-F1638 PolarHBondContact O-N 2.81Å; H1635-F1638 VanDerWaalsContact O-N 3.16Å; P1636-F1638 VanDerWaalsContact C-N 3.28Å; P1636-F1638 PolarHBondContact O-N 3.37Å; F1638-Y1640 PolarHBondContact O-N 2.63Å; F1638-Y1640 VanDerWaalsContact O-N 3.12Å; F1638-L1641 PolarHBondContact O-N 3.11Å; F1638-L1641 VanDerWaalsContact O-N 3.08Å
1639	D	59.1	Low	63.1	Low	90 Å²	90	76.8 Å²	76.8	48%	0.481	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-71.5	-6.7	-173.2	-75.3	-45.5	0	0	0	112.8	N1637 L1641 R1642	N1637-D1639 PolarHBondContact O-N 2.65Å; D1639-L1641 VanDerWaalsContact C-N 3.25Å; D1639-L1641 PolarHBondContact O-N 2.61Å; D1639-R1642 HydrophobicContact CB-CB 4.42Å; D1639-R1642 WeakPolarHBondContact O-CB 3.27Å; D1639-R1642 PolarHBondContact O-N 2.77Å
1640	Y	57.8	Low	63.1	Low	129 Å²	129	77.2 Å²	77.2	51%	0.506	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-64.8	-29.1	168.1	-70.7	-107.2	0	0	0	112.3	N1637 F1638 T1652	N1637-Y1640 HydrophobicContact CB-CD2 3.82Å; N1637-Y1640 HydrophobicContact CB-CE2 4.08Å; N1637-Y1640 WeakPolarHBondContact O-CB 3.25Å; N1637-Y1640 WeakPolarHBondContact O-CD2 3.42Å; N1637-Y1640 PolarHBondContact O-N 2.9Å; F1638-Y1640 PolarHBondContact O-N 2.63Å; F1638-Y1640 VanDerWaalsContact O-N 3.12Å; Y1640-T1652 HydrophobicContact CD1-CG2 4.35Å; Y1640-T1652 WeakPolarHBondContact O-CG2 3.5Å; Y1640-T1652 PolarHBondContact O-OG1 2.77Å
1641	L	55.8	Low	63.2	Low	72 Å²	72	74.8 Å²	74.8	38%	0.377	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-110.4	38.5	165.4	-61.3	-159.4	0	0	0	112.1	L1630 F1638 D1639 P1650	L1630-L1641 HydrophobicContact CB-CD1 3.71Å; L1630-L1641 HydrophobicContact CB-CG 3.99Å; L1630-L1641 HydrophobicContact CD2-CD1 4.43Å; L1630-L1641 HydrophobicContact CD2-CG 4.02Å; L1630-L1641 HydrophobicContact CG-CD1 4.49Å; L1630-L1641 WeakPolarHBondContact O-CD1 3.29Å; F1638-L1641 PolarHBondContact O-N 3.11Å; F1638-L1641 VanDerWaalsContact O-N 3.08Å; D1639-L1641 VanDerWaalsContact C-N 3.25Å; D1639-L1641 PolarHBondContact O-N 2.61Å; L1641-P1650 HydrophobicContact CB-CB 4.39Å; L1641-P1650 HydrophobicContact CD2-CB 3.6Å; L1641-P1650 HydrophobicContact CD2-CG 3.68Å
1642	R	58.7	Low	63.2	Low	67 Å²	67	73 Å²	73	25%	0.253	39%	0.389	S	S	.	.			trans	-56.5	146.4	154	-161.9	-178.9	160.7	161.9	2.2	108.5	D1639 S1644 P1650 D1651 D1671	D1639-R1642 HydrophobicContact CB-CB 4.42Å; D1639-R1642 WeakPolarHBondContact O-CB 3.27Å; D1639-R1642 PolarHBondContact O-N 2.77Å; R1642-S1644 PolarHBondContact NE-OG 3.22Å; R1642-S1644 PolarHBondContact NH2-OG 2.67Å; R1642-P1650 CarbonylContact O-C 3.59Å; R1642-P1650 WeakPolarHBondContact O-CA 3.45Å; R1642-P1650 WeakPolarHBondContact O-CB 3.02Å; R1642-D1651 HydrophobicContact CB-CB 4.16Å; R1642-D1651 WeakPolarHBondContact CB-OD2 3.34Å; R1642-D1651 WeakPolarHBondContact CD-OD2 3.28Å; R1642-D1651 WeakPolarHBondContact CG-OD2 3.44Å; R1642-D1651 IonicContact NE-OD2 2.64Å; R1642-D1651 PolarHBondContact NE-OD2 3.33Å; R1642-D1651 PolarHBondContact O-N 3.02Å; R1642-D1651 VanDerWaalsContact O-OD1 3.11Å; R1642-D1671 IonicContact CZ-OD2 2.72Å; R1642-D1671 IonicContact NH1-OD2 3.47Å; R1642-D1671 PolarHBondContact NH1-OD2 3.14Å; R1642-D1671 PolarHBondContact NH2-O 2.07Å; R1642-D1671 IonicContact NH2-OD1 3.7Å; R1642-D1671 IonicContact NH2-OD2 2.61Å; R1642-D1671 PolarHBondContact NH2-OD2 3.01Å
1643	D	62.5	Low	63.3	Low	52 Å²	52	76.2 Å²	76.2	28%	0.278	41%	0.405	S	S	.	.			trans	-149.5	78.6	-170.7	162.7	62.9	0	0	0	105.2	R1646 G1648 D1651	D1643-R1646 WeakPolarHBondContact O-CG 3.31Å; D1643-R1646 VanDerWaalsContact OD1-CA 3.3Å; D1643-R1646 WeakPolarHBondContact OD1-CA 3.43Å; D1643-R1646 WeakPolarHBondContact OD2-CG 3.43Å; D1643-G1648 WeakPolarHBondContact OD1-CA 3.35Å; D1643-G1648 PolarHBondContact OD1-N 3.46Å; D1643-G1648 VanDerWaalsContact OD1-N 3.14Å; D1643-D1651 WeakPolarHBondContact CA-OD1 3.46Å; D1643-D1651 PolarHBondContact N-OD1 2.79Å; D1643-D1651 VanDerWaalsContact N-OD1 3.1Å
1644	S	70.2	Confident	63.5	Low	22 Å²	22	73.4 Å²	73.4	15%	0.154	39%	0.386	C	S	.	.	S	Bend	trans	-72.6	-52.3	-161.7	-77.3	0	0	0	0	112.6	R1642 D1651 D1657 D1671	R1642-S1644 PolarHBondContact NE-OG 3.22Å; R1642-S1644 PolarHBondContact NH2-OG 2.67Å; S1644-D1651 WeakPolarHBondContact CB-OD2 3.43Å; S1644-D1651 PolarHBondContact N-OD1 3.24Å; S1644-D1651 PolarHBondContact OG-OD2 2.06Å; S1644-D1657 VanDerWaalsContact CB-O 3.27Å; S1644-D1657 WeakPolarHBondContact CB-O 3.5Å; S1644-D1671 WeakPolarHBondContact CB-O 3.24Å; S1644-D1671 PolarHBondContact OG-O 3.28Å
1645	D	69.2	Low	63.9	Low	56 Å²	56	69.3 Å²	69.3	30%	0.299	36%	0.363	S	S	.	.	S	Bend	trans	-71.1	-41.2	173.1	112.6	-71.8	0	0	0	113.7	D1647 D1657 D1658 N1659	D1645-D1647 WeakPolarHBondContact OD1-CB 3.44Å; D1645-D1647 PolarHBondContact OD1-N 2.07Å; D1645-D1657 PolarHBondContact N-O 3.38Å; D1645-D1658 VanDerWaalsContact CB-C 3.4Å; D1645-D1658 VanDerWaalsContact CB-O 3.29Å; D1645-D1658 WeakPolarHBondContact CB-O 3.29Å; D1645-N1659 HydrophobicContact CB-CB 3.72Å
1646	R	62.4	Low	64.6	Low	187 Å²	187	68.4 Å²	68.4	71%	0.706	36%	0.359	S	S	*	.	S	Bend	trans	88.8	37.5	-175.5	-49.5	137.6	-167.9	-63.3	-12.6	117.2	D1643	D1643-R1646 WeakPolarHBondContact O-CG 3.31Å; D1643-R1646 VanDerWaalsContact OD1-CA 3.3Å; D1643-R1646 WeakPolarHBondContact OD1-CA 3.43Å; D1643-R1646 WeakPolarHBondContact OD2-CG 3.43Å
1647	D	75.7	Confident	65.4	Low	111 Å²	111	64 Å²	64	59%	0.594	33%	0.329	S	S	*	.	S	Bend	trans	-65.5	-45.9	161.6	-172.4	-76.2	0	0	0	110.2	D1645	D1645-D1647 WeakPolarHBondContact OD1-CB 3.44Å; D1645-D1647 PolarHBondContact OD1-N 2.07Å
1648	G	67.3	Low	66.3	Low	58 Å²	58	63.4 Å²	63.4	60%	0.598	33%	0.326	S	S	*	.	S	Bend	trans	109.3	14.9	-176.9	0	0	0	0	0	114.8	D1643	D1643-G1648 WeakPolarHBondContact OD1-CA 3.35Å; D1643-G1648 PolarHBondContact OD1-N 3.46Å; D1643-G1648 VanDerWaalsContact OD1-N 3.14Å
1649	I	61.8	Low	66.8	Low	49 Å²	49	64.7 Å²	64.7	25%	0.251	34%	0.335	S	S	.	.	S	Bend	trans	-87.3	137.5	151.6	-49.3	173.7	0	0	0	105.8	L1653 D1654	I1649-L1653 VanDerWaalsContact CG2-C 3.46Å; I1649-L1653 HydrophobicContact CG2-CB 3.74Å; I1649-D1654 HydrophobicContact CB-CB 4.13Å; I1649-D1654 HydrophobicContact CG2-CB 3.9Å; I1649-D1654 VanDerWaalsContact CG2-N 3.32Å
1650	P	65.7	Low	67.7	Low	19 Å²	19	66 Å²	66	12%	0.123	34%	0.342	C	S	.	.			trans	-78.8	156.2	174.6	33.8	-37	0	0	0	111.8	L1641 R1642 T1652 L1653 D1654	L1641-P1650 HydrophobicContact CB-CB 4.39Å; L1641-P1650 HydrophobicContact CD2-CB 3.6Å; L1641-P1650 HydrophobicContact CD2-CG 3.68Å; R1642-P1650 CarbonylContact O-C 3.59Å; R1642-P1650 WeakPolarHBondContact O-CA 3.45Å; R1642-P1650 WeakPolarHBondContact O-CB 3.02Å; P1650-T1652 PolarHBondContact O-N 2.09Å; P1650-L1653 HydrophobicContact CG-CB 3.99Å; P1650-L1653 HydrophobicContact CG-CD1 3.89Å; P1650-L1653 HydrophobicContact CG-CG 4.06Å; P1650-L1653 CarbonylContact O-C 3.57Å; P1650-L1653 WeakPolarHBondContact O-CA 3.13Å; P1650-L1653 PolarHBondContact O-N 2.73Å; P1650-D1654 PolarHBondContact O-N 2.74Å
1651	D	64.9	Low	68.6	Low	25 Å²	25	60.9 Å²	60.9	13%	0.134	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-19.4	-179.3	-59.4	19.5	0	0	0	113.2	R1642 D1643 S1644 L1653 D1657	R1642-D1651 HydrophobicContact CB-CB 4.16Å; R1642-D1651 WeakPolarHBondContact CB-OD2 3.34Å; R1642-D1651 WeakPolarHBondContact CD-OD2 3.28Å; R1642-D1651 WeakPolarHBondContact CG-OD2 3.44Å; R1642-D1651 IonicContact NE-OD2 2.64Å; R1642-D1651 PolarHBondContact NE-OD2 3.33Å; R1642-D1651 PolarHBondContact O-N 3.02Å; R1642-D1651 VanDerWaalsContact O-OD1 3.11Å; D1643-D1651 WeakPolarHBondContact CA-OD1 3.46Å; D1643-D1651 PolarHBondContact N-OD1 2.79Å; D1643-D1651 VanDerWaalsContact N-OD1 3.1Å; S1644-D1651 WeakPolarHBondContact CB-OD2 3.43Å; S1644-D1651 PolarHBondContact N-OD1 3.24Å; S1644-D1651 PolarHBondContact OG-OD2 2.06Å; D1651-L1653 VanDerWaalsContact C-N 3.32Å; D1651-D1657 VanDerWaalsContact CA-OD1 3.27Å; D1651-D1657 WeakPolarHBondContact CA-OD1 3.41Å
1652	T	61.2	Low	69	Low	82 Å²	82	60.1 Å²	60.1	50%	0.503	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-7.4	173.2	54.6	0	0	0	0	114.9	Y1640 P1650	Y1640-T1652 HydrophobicContact CD1-CG2 4.35Å; Y1640-T1652 WeakPolarHBondContact O-CG2 3.5Å; Y1640-T1652 PolarHBondContact O-OG1 2.77Å; P1650-T1652 PolarHBondContact O-N 2.09Å
1653	L	65.2	Low	69.8	Low	79 Å²	79	57.3 Å²	57.3	41%	0.414	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.5	-15	-177.5	-66.1	177.1	0	0	0	114	I1649 P1650 D1651 D1761	I1649-L1653 VanDerWaalsContact CG2-C 3.46Å; I1649-L1653 HydrophobicContact CG2-CB 3.74Å; P1650-L1653 HydrophobicContact CG-CB 3.99Å; P1650-L1653 HydrophobicContact CG-CD1 3.89Å; P1650-L1653 HydrophobicContact CG-CG 4.06Å; P1650-L1653 CarbonylContact O-C 3.57Å; P1650-L1653 WeakPolarHBondContact O-CA 3.13Å; P1650-L1653 PolarHBondContact O-N 2.73Å; D1651-L1653 VanDerWaalsContact C-N 3.32Å; L1653-D1761 HydrophobicContact CD2-CB 4.33Å
1654	D	69.7	Low	69.9	Low	27 Å²	27	56.8 Å²	56.8	14%	0.144	31%	0.311	C	S	.	.			trans	-70.4	174.4	170	-144.3	-32.6	0	0	0	109.5	I1649 P1650	I1649-D1654 HydrophobicContact CB-CB 4.13Å; I1649-D1654 HydrophobicContact CG2-CB 3.9Å; I1649-D1654 VanDerWaalsContact CG2-N 3.32Å; P1650-D1654 PolarHBondContact O-N 2.74Å
1655	M	73.4	Confident	69.6	Low	73 Å²	73	60.3 Å²	60.3	36%	0.36	34%	0.336	S	S	.	.	S	Bend	trans	-134.4	19.3	177.8	-70.3	-153.6	72.8	0	0	110.7	P1663 D1664 I1763	M1655-P1663 WeakPolarHBondContact O-CA 3.29Å; M1655-P1663 WeakPolarHBondContact O-CB 3.4Å; M1655-D1664 WeakPolarHBondContact CA-OD2 3.09Å; M1655-I1763 HydrophobicContact CG-CD1 3.9Å; M1655-I1763 HydrophobicContact SD-CD1 3.7Å
1656	D	79.1	Confident	69.6	Low	4 Å²	4	61.9 Å²	61.9	2%	0.021	34%	0.343	C	S	.	.	S	Bend	trans	-175.5	58	-168	-156.5	-17.9	0	0	0	107.3	D1658 N1659 D1660 G1661 I1662 D1664 N1773	D1656-D1658 PolarHBondContact O-N 3.41Å; D1656-N1659 VanDerWaalsContact O-CA 3.27Å; D1656-N1659 WeakPolarHBondContact O-CA 3.38Å; D1656-N1659 PolarHBondContact O-N 2.97Å; D1656-N1659 PolarHBondContact O-ND2 2.84Å; D1656-N1659 WeakPolarHBondContact OD1-CA 3.47Å; D1656-D1660 PolarHBondContact OD1-N 2.47Å; D1656-G1661 WeakPolarHBondContact OD1-CA 3.49Å; D1656-G1661 PolarHBondContact OD1-N 3.17Å; D1656-G1661 WeakPolarHBondContact OD2-CA 2.94Å; D1656-I1662 PolarHBondContact OD1-N 2.79Å; D1656-D1664 WeakPolarHBondContact CA-OD1 3.47Å; D1656-D1664 PolarHBondContact N-OD1 3.39Å; D1656-D1664 VanDerWaalsContact N-OD1 3.1Å; D1656-D1664 PolarHBondContact N-OD2 2.66Å; D1656-N1773 PolarHBondContact OD2-ND2 3.4Å
1657	D	77.3	Confident	69.7	Low	18 Å²	18	54.2 Å²	54.2	10%	0.096	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-35.9	-162.6	-80.7	-6.1	0	0	0	115.6	S1644 D1645 D1651 D1664 S1670	S1644-D1657 VanDerWaalsContact CB-O 3.27Å; S1644-D1657 WeakPolarHBondContact CB-O 3.5Å; D1645-D1657 PolarHBondContact N-O 3.38Å; D1651-D1657 VanDerWaalsContact CA-OD1 3.27Å; D1651-D1657 WeakPolarHBondContact CA-OD1 3.41Å; D1657-D1664 WeakPolarHBondContact CB-OD1 3.29Å; D1657-D1664 PolarHBondContact N-OD1 3.45Å; D1657-S1670 CarbonylContact C-O 3.29Å; D1657-S1670 WeakPolarHBondContact CB-O 3.32Å
1658	D	77.8	Confident	69.4	Low	60 Å²	60	54.5 Å²	54.5	32%	0.321	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-7.2	171.4	123.3	-53.7	0	0	0	113.9	D1645 D1656 D1660 S1670	D1645-D1658 VanDerWaalsContact CB-C 3.4Å; D1645-D1658 VanDerWaalsContact CB-O 3.29Å; D1645-D1658 WeakPolarHBondContact CB-O 3.29Å; D1656-D1658 PolarHBondContact O-N 3.41Å; D1658-D1660 WeakPolarHBondContact OD1-CA 3.23Å; D1658-D1660 WeakPolarHBondContact OD1-CB 3.49Å; D1658-D1660 PolarHBondContact OD1-N 2.78Å; D1658-S1670 WeakPolarHBondContact CB-O 3.02Å; D1658-S1670 PolarHBondContact N-O 3.15Å
1659	N	67.1	Low	69.7	Low	79 Å²	79	54.6 Å²	54.6	42%	0.422	30%	0.299	S	S	.	.			trans	61	32	-178.6	-124.2	-106	0	0	0	114.5	D1645 D1656	D1645-N1659 HydrophobicContact CB-CB 3.72Å; D1656-N1659 VanDerWaalsContact O-CA 3.27Å; D1656-N1659 WeakPolarHBondContact O-CA 3.38Å; D1656-N1659 PolarHBondContact O-N 2.97Å; D1656-N1659 PolarHBondContact O-ND2 2.84Å; D1656-N1659 WeakPolarHBondContact OD1-CA 3.47Å
1660	D	79.5	Confident	70.2	Confident	117 Å²	117	52.5 Å²	52.5	63%	0.626	29%	0.289	S	S	*	.	S	Bend	trans	-60	-35.8	167.1	-176.2	-87.6	0	0	0	111.4	D1656 D1658	D1656-D1660 PolarHBondContact OD1-N 2.47Å; D1658-D1660 WeakPolarHBondContact OD1-CA 3.23Å; D1658-D1660 WeakPolarHBondContact OD1-CB 3.49Å; D1658-D1660 PolarHBondContact OD1-N 2.78Å
1661	G	75	Confident	70.3	Confident	21 Å²	21	52.3 Å²	52.3	22%	0.216	29%	0.287	C	S	.	.	S	Bend	trans	110.3	22.7	-172.8	0	0	0	0	0	114.1	D1656	D1656-G1661 WeakPolarHBondContact OD1-CA 3.49Å; D1656-G1661 PolarHBondContact OD1-N 3.17Å; D1656-G1661 WeakPolarHBondContact OD2-CA 2.94Å
1662	I	65.6	Low	70.3	Confident	57 Å²	57	52.9 Å²	52.9	29%	0.292	30%	0.298	S	S	.	.	S	Bend	trans	-122.5	122.7	173.3	-50.7	169.8	0	0	0	106.6	D1656 M1666 D1667	D1656-I1662 PolarHBondContact OD1-N 2.79Å; I1662-M1666 HydrophobicContact CG2-CB 4.05Å; I1662-D1667 HydrophobicContact CB-CB 3.82Å; I1662-D1667 HydrophobicContact CG2-CB 3.71Å
1663	P	74.4	Confident	70.7	Confident	8 Å²	8	54.1 Å²	54.1	5%	0.052	30%	0.301	C	S	.	.			trans	-68.6	141.6	-179.5	-23.1	34.6	0	0	0	112.5	M1655 S1665 M1666 D1667 S1771	M1655-P1663 WeakPolarHBondContact O-CA 3.29Å; M1655-P1663 WeakPolarHBondContact O-CB 3.4Å; P1663-S1665 CarbonylContact O-C 3.59Å; P1663-S1665 PolarHBondContact O-N 2.63Å; P1663-M1666 CarbonylContact O-C 3.52Å; P1663-M1666 VanDerWaalsContact O-CA 3.25Å; P1663-M1666 WeakPolarHBondContact O-CA 3.36Å; P1663-M1666 WeakPolarHBondContact O-CB 3.22Å; P1663-M1666 PolarHBondContact O-N 3.15Å; P1663-D1667 PolarHBondContact O-N 3.13Å; P1663-S1771 WeakPolarHBondContact CD-O 3.32Å
1664	D	64.5	Low	70.8	Confident	40 Å²	40	52.9 Å²	52.9	21%	0.214	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-33.5	-171.4	-21.5	-66.5	0	0	0	113	M1655 D1656 D1657 M1666 S1670	M1655-D1664 WeakPolarHBondContact CA-OD2 3.09Å; D1656-D1664 WeakPolarHBondContact CA-OD1 3.47Å; D1656-D1664 PolarHBondContact N-OD1 3.39Å; D1656-D1664 VanDerWaalsContact N-OD1 3.1Å; D1656-D1664 PolarHBondContact N-OD2 2.66Å; D1657-D1664 WeakPolarHBondContact CB-OD1 3.29Å; D1657-D1664 PolarHBondContact N-OD1 3.45Å; D1664-M1666 PolarHBondContact O-N 2.94Å; D1664-S1670 VanDerWaalsContact CA-OG 3.3Å; D1664-S1670 WeakPolarHBondContact CA-OG 3.44Å
1665	S	63.9	Low	70.3	Confident	96 Å²	96	54.5 Å²	54.5	67%	0.671	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	0.7	169	67	0	0	0	0	115.9	P1663	P1663-S1665 CarbonylContact O-C 3.59Å; P1663-S1665 PolarHBondContact O-N 2.63Å
1666	M	69.2	Low	69.9	Low	90 Å²	90	52.9 Å²	52.9	44%	0.443	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.7	-18.9	-177.5	-60.4	-160.6	-162.4	0	0	114.2	I1662 P1663 D1664	I1662-M1666 HydrophobicContact CG2-CB 4.05Å; P1663-M1666 CarbonylContact O-C 3.52Å; P1663-M1666 VanDerWaalsContact O-CA 3.25Å; P1663-M1666 WeakPolarHBondContact O-CA 3.36Å; P1663-M1666 WeakPolarHBondContact O-CB 3.22Å; P1663-M1666 PolarHBondContact O-N 3.15Å; D1664-M1666 PolarHBondContact O-N 2.94Å
1667	D	65.7	Low	68.9	Low	25 Å²	25	54.4 Å²	54.4	13%	0.134	32%	0.322	C	S	.	.			trans	-71.5	163.8	170.9	-150.1	-11.3	0	0	0	109.7	I1662 P1663 D1669	I1662-D1667 HydrophobicContact CB-CB 3.82Å; I1662-D1667 HydrophobicContact CG2-CB 3.71Å; P1663-D1667 PolarHBondContact O-N 3.13Å; D1667-D1669 PolarHBondContact OD1-N 3.03Å
1668	F	68.9	Low	68.1	Low	117 Å²	117	58.1 Å²	58.1	51%	0.513	34%	0.342	S	S	.	.	S	Bend	trans	-116.2	-11.2	172.6	-63.2	-84.4	0	0	0	110.5	D1676 D1677 L1678	F1668-D1676 WeakPolarHBondContact CD1-OD1 3.36Å; F1668-D1676 CarbonylContact O-C 3.58Å; F1668-D1676 VanDerWaalsContact O-C 3.22Å; F1668-D1676 WeakPolarHBondContact O-CA 3.28Å; F1668-D1677 WeakPolarHBondContact CA-OD2 3.32Å; F1668-D1677 PolarHBondContact O-N 2.76Å; F1668-L1678 HydrophobicContact CD1-CD1 3.91Å; F1668-L1678 HydrophobicContact CD1-CG 4.33Å; F1668-L1678 HydrophobicContact CE1-CD1 3.83Å
1669	D	74.6	Confident	67.3	Low	61 Å²	61	57.1 Å²	57.1	33%	0.326	34%	0.335	S	S	.	.	S	Bend	trans	-131	38.6	178.3	-162.5	5	0	0	0	109.2	D1667 D1671 G1672 G1674 D1677	D1667-D1669 PolarHBondContact OD1-N 3.03Å; D1669-D1671 VanDerWaalsContact C-N 3.25Å; D1669-D1671 PolarHBondContact O-N 3.37Å; D1669-G1672 WeakPolarHBondContact O-CA 3.43Å; D1669-G1672 PolarHBondContact O-N 3.33Å; D1669-G1674 WeakPolarHBondContact OD1-CA 3.03Å; D1669-G1674 PolarHBondContact OD1-N 3.47Å; D1669-D1677 PolarHBondContact N-OD2 3.09Å; D1669-D1677 VanDerWaalsContact N-OD2 3.15Å
1670	S	71.7	Confident	66.8	Low	5 Å²	5	56 Å²	56	4%	0.035	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-45.3	-171.3	-49.9	0	0	0	0	111.3	D1657 D1658 D1664 G1672 D1677	D1657-S1670 CarbonylContact C-O 3.29Å; D1657-S1670 WeakPolarHBondContact CB-O 3.32Å; D1658-S1670 WeakPolarHBondContact CB-O 3.02Å; D1658-S1670 PolarHBondContact N-O 3.15Å; D1664-S1670 VanDerWaalsContact CA-OG 3.3Å; D1664-S1670 WeakPolarHBondContact CA-OG 3.44Å; S1670-G1672 PolarHBondContact O-N 2.88Å; S1670-D1677 WeakPolarHBondContact CB-OD1 3.07Å; S1670-D1677 VanDerWaalsContact CB-OD2 3.23Å; S1670-D1677 WeakPolarHBondContact CB-OD2 3.38Å; S1670-D1677 VanDerWaalsContact N-CG 3.34Å; S1670-D1677 PolarHBondContact N-OD1 3.48Å; S1670-D1677 PolarHBondContact N-OD2 3.19Å; S1670-D1677 PolarHBondContact OG-OD2 2.91Å
1671	D	67.8	Low	66	Low	15 Å²	15	51.5 Å²	51.5	8%	0.08	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.6	-176.8	96.3	-26.6	0	0	0	114.1	R1642 S1644 D1669 D1673	R1642-D1671 IonicContact CZ-OD2 2.72Å; R1642-D1671 IonicContact NH1-OD2 3.47Å; R1642-D1671 PolarHBondContact NH1-OD2 3.14Å; R1642-D1671 PolarHBondContact NH2-O 2.07Å; R1642-D1671 IonicContact NH2-OD1 3.7Å; R1642-D1671 IonicContact NH2-OD2 2.61Å; R1642-D1671 PolarHBondContact NH2-OD2 3.01Å; S1644-D1671 WeakPolarHBondContact CB-O 3.24Å; S1644-D1671 PolarHBondContact OG-O 3.28Å; D1669-D1671 VanDerWaalsContact C-N 3.25Å; D1669-D1671 PolarHBondContact O-N 3.37Å; D1671-D1673 PolarHBondContact O-N 3.38Å; D1671-D1673 WeakPolarHBondContact OD1-CB 3.23Å; D1671-D1673 PolarHBondContact OD1-N 3.4Å
1672	G	64.7	Low	65.3	Low	36 Å²	36	55 Å²	55	37%	0.371	32%	0.315	S	S	.	.	S	Bend	trans	67.4	8.2	177	0	0	0	0	0	116.4	D1669 S1670	D1669-G1672 WeakPolarHBondContact O-CA 3.43Å; D1669-G1672 PolarHBondContact O-N 3.33Å; S1670-G1672 PolarHBondContact O-N 2.88Å
1673	D	70.3	Confident	65.2	Low	108 Å²	108	54 Å²	54	58%	0.578	31%	0.311	S	S	*	.	S	Bend	trans	-71.8	-32.7	-176.6	165.9	-85.3	0	0	0	112.4	D1671 S1675	D1671-D1673 PolarHBondContact O-N 3.38Å; D1671-D1673 WeakPolarHBondContact OD1-CB 3.23Å; D1671-D1673 PolarHBondContact OD1-N 3.4Å; D1673-S1675 PolarHBondContact OD1-N 3.1Å; D1673-S1675 PolarHBondContact OD1-OG 3.3Å
1674	G	67.4	Low	64.4	Low	54 Å²	54	61 Å²	61	56%	0.557	34%	0.34	S	S	*	.	S	Bend	trans	99.4	20.8	-170.9	0	0	0	0	0	114.3	D1669	D1669-G1674 WeakPolarHBondContact OD1-CA 3.03Å; D1669-G1674 PolarHBondContact OD1-N 3.47Å
1675	S	58.8	Low	64.7	Low	61 Å²	61	63.6 Å²	63.6	43%	0.427	35%	0.354	S	S	.	.	S	Bend	trans	-87.2	-153.7	170.3	-67.9	0	0	0	0	109.6	D1673	D1673-S1675 PolarHBondContact OD1-N 3.1Å; D1673-S1675 PolarHBondContact OD1-OG 3.3Å
1676	D	64.3	Low	64.9	Low	39 Å²	39	59.6 Å²	59.6	21%	0.209	33%	0.329	C	S	.	.			trans	-122	151.9	155.8	-148	-80.2	0	0	0	105.6	F1668 L1678 F1679 Q1680	F1668-D1676 WeakPolarHBondContact CD1-OD1 3.36Å; F1668-D1676 CarbonylContact O-C 3.58Å; F1668-D1676 VanDerWaalsContact O-C 3.22Å; F1668-D1676 WeakPolarHBondContact O-CA 3.28Å; D1676-L1678 VanDerWaalsContact C-N 3.26Å; D1676-L1678 WeakPolarHBondContact OD1-CB 3.05Å; D1676-F1679 HydrophobicContact CB-CB 3.78Å; D1676-F1679 HydrophobicContact CB-CD1 4.42Å; D1676-F1679 HydrophobicContact CB-CD2 3.11Å; D1676-F1679 HydrophobicContact CB-CE2 3.67Å; D1676-F1679 HydrophobicContact CB-CG 3.53Å; D1676-F1679 CarbonylContact O-C 3.53Å; D1676-F1679 WeakPolarHBondContact O-CA 3.45Å; D1676-F1679 WeakPolarHBondContact O-CB 3.22Å; D1676-F1679 PolarHBondContact O-N 2.85Å; D1676-Q1680 PolarHBondContact O-N 3.25Å
1677	D	58.2	Low	64.6	Low	35 Å²	35	57.6 Å²	57.6	19%	0.187	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-75	-26	175	-50.1	-61.2	0	0	0	111.6	F1668 D1669 S1670 F1679 Q1680	F1668-D1677 WeakPolarHBondContact CA-OD2 3.32Å; F1668-D1677 PolarHBondContact O-N 2.76Å; D1669-D1677 PolarHBondContact N-OD2 3.09Å; D1669-D1677 VanDerWaalsContact N-OD2 3.15Å; S1670-D1677 WeakPolarHBondContact CB-OD1 3.07Å; S1670-D1677 VanDerWaalsContact CB-OD2 3.23Å; S1670-D1677 WeakPolarHBondContact CB-OD2 3.38Å; S1670-D1677 VanDerWaalsContact N-CG 3.34Å; S1670-D1677 PolarHBondContact N-OD1 3.48Å; S1670-D1677 PolarHBondContact N-OD2 3.19Å; S1670-D1677 PolarHBondContact OG-OD2 2.91Å; D1677-F1679 PolarHBondContact O-N 2.82Å; D1677-Q1680 PolarHBondContact O-N 2.91Å; D1677-Q1680 PolarHBondContact OD1-NE2 3.42Å
1678	L	60.6	Low	64.6	Low	96 Å²	96	56.7 Å²	56.7	50%	0.503	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-63.8	-9.7	161.9	-56.5	-176.8	0	0	0	112.4	D891 D892 F1668 D1676	D891-L1678 CarbonylContact C-O 3.52Å; D891-L1678 VanDerWaalsContact O-O 3.04Å; D892-L1678 PolarHBondContact N-O 3.13Å; F1668-L1678 HydrophobicContact CD1-CD1 3.91Å; F1668-L1678 HydrophobicContact CD1-CG 4.33Å; F1668-L1678 HydrophobicContact CE1-CD1 3.83Å; D1676-L1678 VanDerWaalsContact C-N 3.26Å; D1676-L1678 WeakPolarHBondContact OD1-CB 3.05Å
1679	F	61.1	Low	64.1	Low	40 Å²	40	52.5 Å²	52.5	18%	0.175	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-125.4	33.2	179.3	-52	-27.2	0	0	0	112.5	D891 D1676 D1677 N1849	D891-F1679 HydrophobicContact CB-CD1 3.42Å; D891-F1679 VanDerWaalsContact CB-CD1 3.42Å; D891-F1679 HydrophobicContact CB-CE1 3.68Å; D891-F1679 HydrophobicContact CB-CG 3.95Å; D891-F1679 HydrophobicContact CB-CZ 4.41Å; D891-F1679 WeakPolarHBondContact O-CA 3.37Å; D891-F1679 WeakPolarHBondContact OD2-CD1 3.35Å; D891-F1679 WeakPolarHBondContact OD2-CD2 3Å; D891-F1679 VanDerWaalsContact OD2-CE2 3.28Å; D891-F1679 WeakPolarHBondContact OD2-CE2 3.36Å; D891-F1679 VanDerWaalsContact OD2-CG 3.26Å; D891-F1679 WeakPolarHBondContact OD2-CG 2.99Å; D891-F1679 WeakPolarHBondContact OD2-CZ 3.03Å; D1676-F1679 HydrophobicContact CB-CB 3.78Å; D1676-F1679 HydrophobicContact CB-CD1 4.42Å; D1676-F1679 HydrophobicContact CB-CD2 3.11Å; D1676-F1679 HydrophobicContact CB-CE2 3.67Å; D1676-F1679 HydrophobicContact CB-CG 3.53Å; D1676-F1679 CarbonylContact O-C 3.53Å; D1676-F1679 WeakPolarHBondContact O-CA 3.45Å; D1676-F1679 WeakPolarHBondContact O-CB 3.22Å; D1676-F1679 PolarHBondContact O-N 2.85Å; D1677-F1679 PolarHBondContact O-N 2.82Å; F1679-N1849 HydrophobicContact CE1-CB 4.16Å; F1679-N1849 WeakPolarHBondContact CE2-ND2 3.32Å; F1679-N1849 HydrophobicContact CZ-CB 3.92Å; F1679-N1849 WeakPolarHBondContact CZ-ND2 3.21Å
1680	Q	56.9	Low	63.5	Low	55 Å²	55	52 Å²	52	26%	0.257	30%	0.301	S	S	.	.			trans	-84	142.5	164.9	-76.9	-174.9	49.2	0	0	111.4	D1676 D1677 D1689	D1676-Q1680 PolarHBondContact O-N 3.25Å; D1677-Q1680 PolarHBondContact O-N 2.91Å; D1677-Q1680 PolarHBondContact OD1-NE2 3.42Å; Q1680-D1689 VanDerWaalsContact C-OD2 3.27Å; Q1680-D1689 WeakPolarHBondContact CB-OD2 3.04Å; Q1680-D1689 VanDerWaalsContact O-CG 3.28Å; Q1680-D1689 PolarHBondContact O-N 3.11Å
1681	D	61.9	Low	63.3	Low	23 Å²	23	55.7 Å²	55.7	12%	0.123	32%	0.323	C	S	.	.			trans	-144.1	91.6	-175.8	161.6	7.1	0	0	0	104.9	K1684 G1686 D1689	D1681-K1684 PolarHBondContact O-NZ 3.35Å; D1681-K1684 WeakPolarHBondContact OD1-CA 2.97Å; D1681-K1684 PolarHBondContact OD1-N 2.72Å; D1681-G1686 VanDerWaalsContact OD2-CA 3.28Å; D1681-G1686 WeakPolarHBondContact OD2-CA 3.31Å; D1681-G1686 PolarHBondContact OD2-N 2.93Å; D1681-D1689 WeakPolarHBondContact CA-OD1 3.26Å
1682	I	61.3	Low	63.2	Low	93 Å²	93	56.2 Å²	56.2	48%	0.477	33%	0.326	S	S	.	.	S	Bend	trans	-67.1	-42.5	-169.1	-80.9	163.8	0	0	0	111.8	K1684 D1689	I1682-K1684 VanDerWaalsContact C-NZ 3.3Å; I1682-K1684 PolarHBondContact O-NZ 2.74Å; I1682-D1689 WeakPolarHBondContact CD1-OD2 3.4Å; I1682-D1689 WeakPolarHBondContact CG1-OD2 3.4Å; I1682-D1689 PolarHBondContact N-OD1 3.32Å
1683	D	62.4	Low	63.4	Low	38 Å²	38	58.3 Å²	58.3	20%	0.203	33%	0.329	C	S	.	.	S	Bend	trans	-89	-19.4	-173.3	82.9	-16.4	0	0	0	114.1	D1685 N1697	D1683-D1685 VanDerWaalsContact OD1-CB 3.27Å; D1683-D1685 WeakPolarHBondContact OD1-CB 3.3Å; D1683-D1685 PolarHBondContact OD1-N 3.11Å; D1683-N1697 HydrophobicContact CB-CB 4.29Å; D1683-N1697 WeakPolarHBondContact OD2-CB 3.31Å; D1683-N1697 PolarHBondContact OD2-N 3.47Å; D1683-N1697 PolarHBondContact OD2-ND2 3.03Å
1684	K	58.8	Low	63.3	Low	153 Å²	153	54.6 Å²	54.6	67%	0.665	31%	0.309	S	S	*	.	S	Bend	trans	65.2	33.9	-173	-58.1	106.7	-173.2	81.8	0	114.6	D1681 I1682	D1681-K1684 PolarHBondContact O-NZ 3.35Å; D1681-K1684 WeakPolarHBondContact OD1-CA 2.97Å; D1681-K1684 PolarHBondContact OD1-N 2.72Å; I1682-K1684 VanDerWaalsContact C-NZ 3.3Å; I1682-K1684 PolarHBondContact O-NZ 2.74Å
1685	D	71.1	Confident	63.4	Low	95 Å²	95	55.2 Å²	55.2	51%	0.508	30%	0.298	S	S	.	.	S	Bend	trans	-61.7	-37.5	158.6	-175.1	-81.1	0	0	0	110.3	D1683 V1687 N1697	D1683-D1685 VanDerWaalsContact OD1-CB 3.27Å; D1683-D1685 WeakPolarHBondContact OD1-CB 3.3Å; D1683-D1685 PolarHBondContact OD1-N 3.11Å; D1685-V1687 WeakPolarHBondContact OD1-CG2 3.19Å; D1685-N1697 PolarHBondContact OD2-ND2 3.11Å
1686	G	66.6	Low	63.8	Low	13 Å²	13	56.2 Å²	56.2	13%	0.134	30%	0.298	C	S	.	.	S	Bend	trans	84.5	29.5	-169.9	0	0	0	0	0	112.8	D1681 K1852	D1681-G1686 VanDerWaalsContact OD2-CA 3.28Å; D1681-G1686 WeakPolarHBondContact OD2-CA 3.31Å; D1681-G1686 PolarHBondContact OD2-N 2.93Å; G1686-K1852 PolarHBondContact O-NZ 2.89Å
1687	V	64.6	Low	63.5	Low	48 Å²	48	58.9 Å²	58.9	29%	0.291	31%	0.313	S	S	.	.	S	Bend	trans	-107.4	130.6	150	-178.4	0	0	0	0	106.9	D1685 V1691 D1692	D1685-V1687 WeakPolarHBondContact OD1-CG2 3.19Å; V1687-V1691 HydrophobicContact CG1-CG2 4.02Å; V1687-D1692 HydrophobicContact CB-CB 4.2Å; V1687-D1692 HydrophobicContact CG1-CB 3.87Å
1688	P	64.4	Low	63.9	Low	6 Å²	6	61.2 Å²	61.2	4%	0.039	33%	0.325	C	S	.	.			trans	-57.1	147	176.8	-33.1	40.6	0	0	0	115.3	D890 D891 D892 S1690 V1691 D1692	D890-P1688 WeakPolarHBondContact OD2-CD 3.44Å; D890-P1688 WeakPolarHBondContact OD2-CG 3.35Å; D891-P1688 WeakPolarHBondContact O-CB 3.43Å; D891-P1688 WeakPolarHBondContact O-CG 3.41Å; D892-P1688 HydrophobicContact CB-CG 4.45Å; P1688-S1690 PolarHBondContact O-N 2.94Å; P1688-V1691 HydrophobicContact CB-CG2 3.88Å; P1688-V1691 HydrophobicContact CG-CG2 4.02Å; P1688-V1691 CarbonylContact O-C 3.49Å; P1688-V1691 PolarHBondContact O-N 3.49Å; P1688-D1692 WeakPolarHBondContact O-CB 3.28Å; P1688-D1692 PolarHBondContact O-N 2.88Å
1689	D	59.7	Low	64.3	Low	29 Å²	29	59.2 Å²	59.2	16%	0.155	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.2	174.4	-62.4	-19.9	0	0	0	112.8	Q1680 D1681 I1682 M1695	Q1680-D1689 VanDerWaalsContact C-OD2 3.27Å; Q1680-D1689 WeakPolarHBondContact CB-OD2 3.04Å; Q1680-D1689 VanDerWaalsContact O-CG 3.28Å; Q1680-D1689 PolarHBondContact O-N 3.11Å; D1681-D1689 WeakPolarHBondContact CA-OD1 3.26Å; I1682-D1689 WeakPolarHBondContact CD1-OD2 3.4Å; I1682-D1689 WeakPolarHBondContact CG1-OD2 3.4Å; I1682-D1689 PolarHBondContact N-OD1 3.32Å; D1689-M1695 HydrophobicContact CB-CG 4.14Å; D1689-M1695 HydrophobicContact CB-SD 3.69Å
1690	S	60.8	Low	64.3	Low	50 Å²	50	61.3 Å²	61.3	35%	0.35	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-23	178.1	75.2	0	0	0	0	115.3	D892 P1688	D892-S1690 PolarHBondContact O-OG 3.18Å; P1688-S1690 PolarHBondContact O-N 2.94Å
1691	V	68.3	Low	64.9	Low	82 Å²	82	59.9 Å²	59.9	50%	0.497	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.3	1.5	-175	-71.4	0	0	0	0	113.8	V1687 P1688	V1687-V1691 HydrophobicContact CG1-CG2 4.02Å; P1688-V1691 HydrophobicContact CB-CG2 3.88Å; P1688-V1691 HydrophobicContact CG-CG2 4.02Å; P1688-V1691 CarbonylContact O-C 3.49Å; P1688-V1691 PolarHBondContact O-N 3.49Å
1692	D	64.5	Low	64.9	Low	27 Å²	27	60.5 Å²	60.5	14%	0.144	34%	0.339	C	S	.	.			trans	-63.1	139.9	161.6	-160.4	-1.4	0	0	0	107.6	V1687 P1688 D1694 M1695	V1687-D1692 HydrophobicContact CB-CB 4.2Å; V1687-D1692 HydrophobicContact CG1-CB 3.87Å; P1688-D1692 WeakPolarHBondContact O-CB 3.28Å; P1688-D1692 PolarHBondContact O-N 2.88Å; D1692-D1694 PolarHBondContact OD1-N 2.92Å; D1692-M1695 HydrophobicContact CB-CG 4.24Å
1693	D	69.9	Low	65.2	Low	80 Å²	80	60 Å²	60	43%	0.428	33%	0.334	S	S	.	.	S	Bend	trans	-93.4	-12.2	174.9	-132.6	-8.2	0	0	0	108.5	P1701 D1702 H1703	D1693-P1701 HydrophobicContact CB-CB 4.14Å; D1693-P1701 CarbonylContact O-C 3.12Å; D1693-P1701 WeakPolarHBondContact O-CA 3.37Å; D1693-P1701 WeakPolarHBondContact O-CB 3.48Å; D1693-D1702 PolarHBondContact O-N 3.24Å; D1693-H1703 IonicContact OD1-CE1 3.13Å; D1693-H1703 PolarHBondContact OD1-CE1 3.08Å; D1693-H1703 IonicContact OD1-ND1 3.22Å; D1693-H1703 PolarHBondContact OD1-ND1 2.95Å; D1693-H1703 IonicContact OD2-CE1 2.76Å; D1693-H1703 IonicContact OD2-ND1 3.72Å
1694	D	67	Low	65.6	Low	29 Å²	29	62 Å²	62	16%	0.155	34%	0.341	C	S	.	.	S	Bend	trans	-144.8	54.2	-163.1	-162.8	-16.1	0	0	0	112	D1692 N1696 N1697 D1698 G1699 I1700 P1701 D1702	D1692-D1694 PolarHBondContact OD1-N 2.92Å; D1694-N1696 PolarHBondContact O-N 3.34Å; D1694-N1697 PolarHBondContact O-N 3.06Å; D1694-D1698 PolarHBondContact OD1-N 3.5Å; D1694-G1699 PolarHBondContact OD1-N 3.1Å; D1694-G1699 WeakPolarHBondContact OD2-CA 3.48Å; D1694-I1700 PolarHBondContact OD1-N 3.38Å; D1694-P1701 HydrophobicContact CB-CB 4.45Å; D1694-P1701 HydrophobicContact CB-CG 4.22Å; D1694-P1701 WeakPolarHBondContact OD2-CD 3.49Å; D1694-D1702 VanDerWaalsContact CA-OD1 3.23Å; D1694-D1702 WeakPolarHBondContact CA-OD1 3.19Å; D1694-D1702 PolarHBondContact N-OD1 2.68Å
1695	M	69.4	Low	65.8	Low	68 Å²	68	55.9 Å²	55.9	34%	0.335	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-2.3	-160.4	-111	-170	-74.1	0	0	118.3	D1689 D1692 D1702	D1689-M1695 HydrophobicContact CB-CG 4.14Å; D1689-M1695 HydrophobicContact CB-SD 3.69Å; D1692-M1695 HydrophobicContact CB-CG 4.24Å; M1695-D1702 WeakPolarHBondContact CE-OD2 3.26Å; M1695-D1702 PolarHBondContact N-OD1 3.01Å
1696	N	66.9	Low	65.5	Low	81 Å²	81	52.5 Å²	52.5	43%	0.433	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	5.9	179.8	68.3	3.9	0	0	0	113.5	D1694 D1698 Q1705	D1694-N1696 PolarHBondContact O-N 3.34Å; N1696-D1698 PolarHBondContact ND2-OD2 2.98Å; N1696-D1698 PolarHBondContact O-N 2.71Å; N1696-D1698 VanDerWaalsContact OD1-CB 3.23Å; N1696-D1698 WeakPolarHBondContact OD1-CB 3.15Å; N1696-D1698 PolarHBondContact OD1-N 3.42Å; N1696-D1698 PolarHBondContact OD1-OD2 3.47Å; N1696-D1698 VanDerWaalsContact OD1-OD2 3.11Å; N1696-Q1705 PolarHBondContact ND2-NE2 2.91Å; N1696-Q1705 VanDerWaalsContact ND2-NE2 3.12Å; N1696-Q1705 PolarHBondContact OD1-NE2 2.8Å
1697	N	58	Low	65.5	Low	96 Å²	96	57.3 Å²	57.3	51%	0.513	32%	0.316	S	S	.	.	S	Bend	trans	52.8	24.1	-170.6	-129.6	-99	0	0	0	115.7	D1683 D1685 D1694 G1699	D1683-N1697 HydrophobicContact CB-CB 4.29Å; D1683-N1697 WeakPolarHBondContact OD2-CB 3.31Å; D1683-N1697 PolarHBondContact OD2-N 3.47Å; D1683-N1697 PolarHBondContact OD2-ND2 3.03Å; D1685-N1697 PolarHBondContact OD2-ND2 3.11Å; D1694-N1697 PolarHBondContact O-N 3.06Å; N1697-G1699 PolarHBondContact O-N 2.98Å
1698	D	67.9	Low	65.5	Low	83 Å²	83	55 Å²	55	44%	0.444	30%	0.302	S	S	.	.	S	Bend	trans	-69.5	-22.1	179.1	81.9	40.1	0	0	0	112.4	D1694 N1696 I1700 Q1705	D1694-D1698 PolarHBondContact OD1-N 3.5Å; N1696-D1698 PolarHBondContact ND2-OD2 2.98Å; N1696-D1698 PolarHBondContact O-N 2.71Å; N1696-D1698 VanDerWaalsContact OD1-CB 3.23Å; N1696-D1698 WeakPolarHBondContact OD1-CB 3.15Å; N1696-D1698 PolarHBondContact OD1-N 3.42Å; N1696-D1698 PolarHBondContact OD1-OD2 3.47Å; N1696-D1698 VanDerWaalsContact OD1-OD2 3.11Å; D1698-I1700 WeakPolarHBondContact OD1-CA 3.44Å; D1698-I1700 WeakPolarHBondContact OD1-CB 3.35Å; D1698-I1700 VanDerWaalsContact OD1-CG1 3.26Å; D1698-I1700 WeakPolarHBondContact OD1-CG1 3.43Å; D1698-I1700 PolarHBondContact OD1-N 3.06Å; D1698-Q1705 PolarHBondContact OD2-NE2 3.37Å
1699	G	68.2	Low	65.2	Low	54 Å²	54	55.7 Å²	55.7	56%	0.557	31%	0.307	S	S	*	.	S	Bend	trans	100.7	-0.7	178.3	0	0	0	0	0	113.7	D1694 N1697 P1701	D1694-G1699 PolarHBondContact OD1-N 3.1Å; D1694-G1699 WeakPolarHBondContact OD2-CA 3.48Å; N1697-G1699 PolarHBondContact O-N 2.98Å; G1699-P1701 VanDerWaalsContact C-CD 3.44Å; G1699-P1701 WeakPolarHBondContact O-CD 3.37Å
1700	I	62.4	Low	65.7	Low	84 Å²	84	58.6 Å²	58.6	43%	0.431	32%	0.322	S	S	.	.	S	Bend	trans	-108.6	92.1	174.3	-50.4	173.4	0	0	0	107.9	D1694 D1698 D1702 K1704 Q1705	D1694-I1700 PolarHBondContact OD1-N 3.38Å; D1698-I1700 WeakPolarHBondContact OD1-CA 3.44Å; D1698-I1700 WeakPolarHBondContact OD1-CB 3.35Å; D1698-I1700 VanDerWaalsContact OD1-CG1 3.26Å; D1698-I1700 WeakPolarHBondContact OD1-CG1 3.43Å; D1698-I1700 PolarHBondContact OD1-N 3.06Å; I1700-D1702 PolarHBondContact O-N 3.2Å; I1700-K1704 HydrophobicContact CG2-CB 4.22Å; I1700-K1704 WeakPolarHBondContact CG2-O 3.37Å; I1700-Q1705 HydrophobicContact CB-CG 4.4Å; I1700-Q1705 HydrophobicContact CG2-CG 4.3Å; I1700-Q1705 WeakPolarHBondContact O-CG 3.49Å
1701	P	68.4	Low	66	Low	25 Å²	25	58.2 Å²	58.2	16%	0.162	33%	0.326	C	S	.	.			trans	-47.3	127.6	175.4	-33.6	27.5	0	0	0	114.1	D1693 D1694 G1699 H1703 K1704 Q1705	D1693-P1701 HydrophobicContact CB-CB 4.14Å; D1693-P1701 CarbonylContact O-C 3.12Å; D1693-P1701 WeakPolarHBondContact O-CA 3.37Å; D1693-P1701 WeakPolarHBondContact O-CB 3.48Å; D1694-P1701 HydrophobicContact CB-CB 4.45Å; D1694-P1701 HydrophobicContact CB-CG 4.22Å; D1694-P1701 WeakPolarHBondContact OD2-CD 3.49Å; G1699-P1701 VanDerWaalsContact C-CD 3.44Å; G1699-P1701 WeakPolarHBondContact O-CD 3.37Å; P1701-H1703 PolarHBondContact O-N 2.9Å; P1701-K1704 VanDerWaalsContact CG-NZ 3.33Å; P1701-K1704 VanDerWaalsContact N-NZ 3.11Å; P1701-K1704 CarbonylContact O-C 3.55Å; P1701-K1704 VanDerWaalsContact O-CA 3.27Å; P1701-K1704 WeakPolarHBondContact O-CA 3.39Å; P1701-K1704 WeakPolarHBondContact O-CB 3.47Å; P1701-K1704 PolarHBondContact O-N 3.19Å; P1701-K1704 PolarHBondContact O-NZ 2.79Å; P1701-Q1705 PolarHBondContact O-N 3.38Å
1702	D	63	Low	65.7	Low	37 Å²	37	57 Å²	57	20%	0.198	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-36.1	-44.3	-172.7	-48	-0.2	0	0	0	113.9	D1693 D1694 M1695 I1700 K1704 Q1705	D1693-D1702 PolarHBondContact O-N 3.24Å; D1694-D1702 VanDerWaalsContact CA-OD1 3.23Å; D1694-D1702 WeakPolarHBondContact CA-OD1 3.19Å; D1694-D1702 PolarHBondContact N-OD1 2.68Å; M1695-D1702 WeakPolarHBondContact CE-OD2 3.26Å; M1695-D1702 PolarHBondContact N-OD1 3.01Å; I1700-D1702 PolarHBondContact O-N 3.2Å; D1702-K1704 PolarHBondContact O-N 2.99Å; D1702-Q1705 PolarHBondContact O-N 3.1Å
1703	H	67.7	Low	65.8	Low	82 Å²	82	57.1 Å²	57.1	38%	0.38	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-68.1	3.7	176.6	73.4	-98.2	0	0	0	114	D1693 P1701 I1715	D1693-H1703 IonicContact OD1-CE1 3.13Å; D1693-H1703 PolarHBondContact OD1-CE1 3.08Å; D1693-H1703 IonicContact OD1-ND1 3.22Å; D1693-H1703 PolarHBondContact OD1-ND1 2.95Å; D1693-H1703 IonicContact OD2-CE1 2.76Å; D1693-H1703 IonicContact OD2-ND1 3.72Å; P1701-H1703 PolarHBondContact O-N 2.9Å; H1703-I1715 HydrophobicContact CB-CD1 4.38Å; H1703-I1715 HydrophobicContact CB-CG2 4.47Å; H1703-I1715 WeakPolarHBondContact O-CG2 3.4Å
1704	K	69.1	Low	65.5	Low	79 Å²	79	54.5 Å²	54.5	34%	0.343	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-137.6	5.4	169.8	-46.3	173.3	-85.5	59.9	0	113	I1700 P1701 D1702 P1713	I1700-K1704 HydrophobicContact CG2-CB 4.22Å; I1700-K1704 WeakPolarHBondContact CG2-O 3.37Å; P1701-K1704 VanDerWaalsContact CG-NZ 3.33Å; P1701-K1704 VanDerWaalsContact N-NZ 3.11Å; P1701-K1704 CarbonylContact O-C 3.55Å; P1701-K1704 VanDerWaalsContact O-CA 3.27Å; P1701-K1704 WeakPolarHBondContact O-CA 3.39Å; P1701-K1704 WeakPolarHBondContact O-CB 3.47Å; P1701-K1704 PolarHBondContact O-N 3.19Å; P1701-K1704 PolarHBondContact O-NZ 2.79Å; D1702-K1704 PolarHBondContact O-N 2.99Å; K1704-P1713 VanDerWaalsContact CA-CB 3.5Å; K1704-P1713 HydrophobicContact CB-CG 4.08Å
1705	Q	62.9	Low	65.6	Low	26 Å²	26	59.1 Å²	59.1	12%	0.121	33%	0.327	C	S	.	.			trans	-58.9	142.8	161.2	-94	159.5	-3	0	0	107.3	N1696 D1698 I1700 P1701 D1702 P1713 D1714	N1696-Q1705 PolarHBondContact ND2-NE2 2.91Å; N1696-Q1705 VanDerWaalsContact ND2-NE2 3.12Å; N1696-Q1705 PolarHBondContact OD1-NE2 2.8Å; D1698-Q1705 PolarHBondContact OD2-NE2 3.37Å; I1700-Q1705 HydrophobicContact CB-CG 4.4Å; I1700-Q1705 HydrophobicContact CG2-CG 4.3Å; I1700-Q1705 WeakPolarHBondContact O-CG 3.49Å; P1701-Q1705 PolarHBondContact O-N 3.38Å; D1702-Q1705 PolarHBondContact O-N 3.1Å; Q1705-P1713 CarbonylContact O-C 3.39Å; Q1705-P1713 WeakPolarHBondContact O-CA 3.41Å; Q1705-P1713 WeakPolarHBondContact O-CB 3.21Å; Q1705-D1714 VanDerWaalsContact C-OD2 3.32Å; Q1705-D1714 WeakPolarHBondContact CB-OD2 3.38Å; Q1705-D1714 PolarHBondContact O-N 3.26Å
1706	D	66.4	Low	65.7	Low	24 Å²	24	60.6 Å²	60.6	13%	0.128	34%	0.34	C	S	.	.			trans	-144.3	70	-161.2	-138.8	-61.8	0	0	0	99.5	D1708 C1709 D1710 G1711 I1712 P1713 D1714	D1706-D1708 PolarHBondContact O-N 3.34Å; D1706-C1709 VanDerWaalsContact O-CA 3.32Å; D1706-C1709 WeakPolarHBondContact O-CA 3.44Å; D1706-C1709 PolarHBondContact O-N 3.06Å; D1706-C1709 PolarHBondContact O-SG 3.07Å; D1706-C1709 VanDerWaalsContact OD1-CA 3.28Å; D1706-C1709 WeakPolarHBondContact OD1-CA 3.23Å; D1706-D1710 PolarHBondContact OD1-N 3.09Å; D1706-G1711 WeakPolarHBondContact OD1-CA 3.08Å; D1706-G1711 PolarHBondContact OD1-N 3.32Å; D1706-I1712 PolarHBondContact OD1-N 3.31Å; D1706-I1712 VanDerWaalsContact OD1-N 3.12Å; D1706-I1712 PolarHBondContact OD2-N 3.12Å; D1706-P1713 VanDerWaalsContact OD2-CD 3.24Å; D1706-P1713 WeakPolarHBondContact OD2-CD 3.47Å; D1706-P1713 WeakPolarHBondContact OD2-CG 3.36Å; D1706-D1714 VanDerWaalsContact CA-OD1 3.3Å; D1706-D1714 WeakPolarHBondContact CA-OD1 3.44Å; D1706-D1714 PolarHBondContact N-OD1 2.93Å
1707	H	66.4	Low	65.5	Low	113 Å²	113	57.9 Å²	57.9	52%	0.523	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.3	-168.2	-90.1	85.1	0	0	0	111.6	C1604 D1714 D1720	C1604-H1707 PolarHBondContact SG-O 2.86Å; C1604-H1707 VanDerWaalsContact SG-O 3.38Å; H1707-D1714 IonicContact CE1-OD2 2.91Å; H1707-D1714 IonicContact CG-OD2 3.03Å; H1707-D1714 PolarHBondContact N-OD1 3.04Å; H1707-D1714 IonicContact ND1-OD1 3.19Å; H1707-D1714 IonicContact ND1-OD2 3.02Å; H1707-D1714 PolarHBondContact ND1-OD2 3.02Å; H1707-D1720 CarbonylContact C-O 2.98Å; H1707-D1720 WeakPolarHBondContact CB-O 3.45Å
1708	D	64.6	Low	66.2	Low	1 Å²	1	56.3 Å²	56.3	1%	0.005	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-11.9	169.4	84.2	-25.4	0	0	0	114.5	P1602 I1605 D1706 D1710 D1720 D1721 N1722	P1602-D1708 VanDerWaalsContact CB-O 3.28Å; P1602-D1708 WeakPolarHBondContact CB-O 3.11Å; P1602-D1708 VanDerWaalsContact CG-O 3.32Å; P1602-D1708 WeakPolarHBondContact CG-O 3.21Å; I1605-D1708 WeakPolarHBondContact CD1-O 3.43Å; D1706-D1708 PolarHBondContact O-N 3.34Å; D1708-D1710 VanDerWaalsContact C-N 3.33Å; D1708-D1710 PolarHBondContact O-N 3.06Å; D1708-D1710 PolarHBondContact OD1-N 3.48Å; D1708-D1710 VanDerWaalsContact OD2-CB 3.3Å; D1708-D1710 WeakPolarHBondContact OD2-CB 3.33Å; D1708-D1720 WeakPolarHBondContact CB-O 3.37Å; D1708-D1720 PolarHBondContact N-O 2.89Å; D1708-D1721 VanDerWaalsContact CB-C 3.43Å; D1708-N1722 HydrophobicContact CB-CB 3.8Å; D1708-N1722 VanDerWaalsContact CB-N 3.34Å; D1708-N1722 VanDerWaalsContact OD2-CG 3.29Å; D1708-N1722 PolarHBondContact OD2-ND2 3.48Å
1709	C	58.3	Low	66	Low	20 Å²	20	53.3 Å²	53.3	14%	0.135	30%	0.304	C	S	.	.			trans	49.9	27.1	-169.9	-58	0	0	0	0	116.6	P1594 P1602 C1604 D1706 G1711	P1594-C1709 HydrophobicContact CB-CB 4.05Å; P1594-C1709 WeakPolarHBondContact CB-O 3.48Å; P1602-C1709 HydrophobicContact CB-CB 3.22Å; P1602-C1709 WeakPolarHBondContact CB-O 3.46Å; P1602-C1709 HydrophobicContact CG-CB 4.24Å; P1602-C1709 WeakPolarHBondContact CG-O 3.21Å; C1604-C1709 HydrophobicContact CB-CB 4.37Å; C1604-C1709 WeakPolarHBondContact CB-SG 3.41Å; C1604-C1709 WeakPolarHBondContact SG-CB 3.08Å; C1604-C1709 PolarHBondContact SG-N 3.22Å; C1604-C1709 CovalentContact SG-SG 2.05Å; C1604-C1709 PolarHBondContact SG-SG 3.17Å; D1706-C1709 VanDerWaalsContact O-CA 3.32Å; D1706-C1709 WeakPolarHBondContact O-CA 3.44Å; D1706-C1709 PolarHBondContact O-N 3.06Å; D1706-C1709 PolarHBondContact O-SG 3.07Å; D1706-C1709 VanDerWaalsContact OD1-CA 3.28Å; D1706-C1709 WeakPolarHBondContact OD1-CA 3.23Å; C1709-G1711 PolarHBondContact O-N 3.12Å
1710	D	70.1	Confident	66.2	Low	90 Å²	90	52.6 Å²	52.6	48%	0.481	29%	0.288	S	S	.	.	S	Bend	trans	-54.5	-18.8	175.8	173.9	-79.8	0	0	0	112.7	D1706 D1708 I1712	D1706-D1710 PolarHBondContact OD1-N 3.09Å; D1708-D1710 VanDerWaalsContact C-N 3.33Å; D1708-D1710 PolarHBondContact O-N 3.06Å; D1708-D1710 PolarHBondContact OD1-N 3.48Å; D1708-D1710 VanDerWaalsContact OD2-CB 3.3Å; D1708-D1710 WeakPolarHBondContact OD2-CB 3.33Å; D1710-I1712 WeakPolarHBondContact OD1-CD1 3Å; D1710-I1712 WeakPolarHBondContact OD1-CG1 3.39Å
1711	G	66.7	Low	66.4	Low	41 Å²	41	52.3 Å²	52.3	42%	0.423	29%	0.287	S	S	.	.	S	Bend	trans	87.8	24.3	-168.3	0	0	0	0	0	111.2	D1706 C1709	D1706-G1711 WeakPolarHBondContact OD1-CA 3.08Å; D1706-G1711 PolarHBondContact OD1-N 3.32Å; C1709-G1711 PolarHBondContact O-N 3.12Å
1712	I	61.4	Low	65.8	Low	58 Å²	58	54.6 Å²	54.6	30%	0.297	30%	0.298	S	S	.	.	S	Bend	trans	-130.5	102.3	170.4	-60.1	174.2	0	0	0	105.5	D1706 D1710 V1716 D1717	D1706-I1712 PolarHBondContact OD1-N 3.31Å; D1706-I1712 VanDerWaalsContact OD1-N 3.12Å; D1706-I1712 PolarHBondContact OD2-N 3.12Å; D1710-I1712 WeakPolarHBondContact OD1-CD1 3Å; D1710-I1712 WeakPolarHBondContact OD1-CG1 3.39Å; I1712-V1716 HydrophobicContact CG2-CB 3.74Å; I1712-V1716 HydrophobicContact CG2-CG1 3.83Å; I1712-D1717 HydrophobicContact CB-CB 4.19Å; I1712-D1717 WeakPolarHBondContact CB-OD2 3.34Å; I1712-D1717 WeakPolarHBondContact CD1-OD2 2.96Å; I1712-D1717 HydrophobicContact CG2-CB 3.8Å; I1712-D1717 WeakPolarHBondContact CG2-OD2 3.4Å
1713	P	67.1	Low	65.9	Low	28 Å²	28	55.7 Å²	55.7	18%	0.182	30%	0.304	C	S	.	.			trans	-54.5	146.8	177.2	-36.6	41	0	0	0	114.6	K1704 Q1705 D1706 I1715 V1716 D1717	K1704-P1713 VanDerWaalsContact CA-CB 3.5Å; K1704-P1713 HydrophobicContact CB-CG 4.08Å; Q1705-P1713 CarbonylContact O-C 3.39Å; Q1705-P1713 WeakPolarHBondContact O-CA 3.41Å; Q1705-P1713 WeakPolarHBondContact O-CB 3.21Å; D1706-P1713 VanDerWaalsContact OD2-CD 3.24Å; D1706-P1713 WeakPolarHBondContact OD2-CD 3.47Å; D1706-P1713 WeakPolarHBondContact OD2-CG 3.36Å; P1713-I1715 HydrophobicContact CB-CG2 4.45Å; P1713-I1715 PolarHBondContact O-N 2.77Å; P1713-V1716 CarbonylContact O-C 3.56Å; P1713-V1716 VanDerWaalsContact O-CA 3.24Å; P1713-V1716 WeakPolarHBondContact O-CA 3.49Å; P1713-V1716 VanDerWaalsContact O-CB 3.29Å; P1713-V1716 WeakPolarHBondContact O-CB 3.42Å; P1713-V1716 PolarHBondContact O-N 2.9Å; P1713-D1717 PolarHBondContact O-N 3Å
1714	D	63.6	Low	65.6	Low	26 Å²	26	54 Å²	54	14%	0.139	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.7	-45.2	-174.3	-42.1	-27.3	0	0	0	112.7	Q1705 D1706 H1707 V1716 D1717 D1720	Q1705-D1714 VanDerWaalsContact C-OD2 3.32Å; Q1705-D1714 WeakPolarHBondContact CB-OD2 3.38Å; Q1705-D1714 PolarHBondContact O-N 3.26Å; D1706-D1714 VanDerWaalsContact CA-OD1 3.3Å; D1706-D1714 WeakPolarHBondContact CA-OD1 3.44Å; D1706-D1714 PolarHBondContact N-OD1 2.93Å; H1707-D1714 IonicContact CE1-OD2 2.91Å; H1707-D1714 IonicContact CG-OD2 3.03Å; H1707-D1714 PolarHBondContact N-OD1 3.04Å; H1707-D1714 IonicContact ND1-OD1 3.19Å; H1707-D1714 IonicContact ND1-OD2 3.02Å; H1707-D1714 PolarHBondContact ND1-OD2 3.02Å; D1714-V1716 PolarHBondContact O-N 2.92Å; D1714-D1717 PolarHBondContact O-N 2.77Å; D1714-D1720 WeakPolarHBondContact CA-OD1 3.46Å; D1714-D1720 HydrophobicContact CB-CB 4.25Å
1715	I	68.4	Low	64.9	Low	125 Å²	125	52.4 Å²	52.4	64%	0.641	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-2.7	175.8	-156.7	172.6	0	0	0	114.7	H1703 P1713	H1703-I1715 HydrophobicContact CB-CD1 4.38Å; H1703-I1715 HydrophobicContact CB-CG2 4.47Å; H1703-I1715 WeakPolarHBondContact O-CG2 3.4Å; P1713-I1715 HydrophobicContact CB-CG2 4.45Å; P1713-I1715 PolarHBondContact O-N 2.77Å
1716	V	72	Confident	64.8	Low	99 Å²	99	56.2 Å²	56.2	60%	0.6	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.6	-25.4	-179	-165.8	0	0	0	0	112.5	I1712 P1713 D1714	I1712-V1716 HydrophobicContact CG2-CB 3.74Å; I1712-V1716 HydrophobicContact CG2-CG1 3.83Å; P1713-V1716 CarbonylContact O-C 3.56Å; P1713-V1716 VanDerWaalsContact O-CA 3.24Å; P1713-V1716 WeakPolarHBondContact O-CA 3.49Å; P1713-V1716 VanDerWaalsContact O-CB 3.29Å; P1713-V1716 WeakPolarHBondContact O-CB 3.42Å; P1713-V1716 PolarHBondContact O-N 2.9Å; D1714-V1716 PolarHBondContact O-N 2.92Å
1717	D	63.7	Low	64.3	Low	25 Å²	25	58.3 Å²	58.3	13%	0.134	33%	0.328	C	S	.	.			trans	-69.6	161.4	175.8	-147.5	-98.5	0	0	0	110.5	I1712 P1713 D1714 D1719	I1712-D1717 HydrophobicContact CB-CB 4.19Å; I1712-D1717 WeakPolarHBondContact CB-OD2 3.34Å; I1712-D1717 WeakPolarHBondContact CD1-OD2 2.96Å; I1712-D1717 HydrophobicContact CG2-CB 3.8Å; I1712-D1717 WeakPolarHBondContact CG2-OD2 3.4Å; P1713-D1717 PolarHBondContact O-N 3Å; D1714-D1717 PolarHBondContact O-N 2.77Å; D1717-D1719 WeakPolarHBondContact OD1-CA 3.16Å; D1717-D1719 WeakPolarHBondContact OD1-CB 3.39Å; D1717-D1719 PolarHBondContact OD1-N 3.33Å
1718	P	71.3	Confident	63.8	Low	62 Å²	62	58.3 Å²	58.3	40%	0.403	34%	0.336	S	S	.	.	S	Bend	trans	-95.4	-7.6	163.3	-19	36.1	0	0	0	115.5	F1726	P1718-F1726 HydrophobicContact CB-CD1 3.51Å; P1718-F1726 HydrophobicContact CB-CE1 3.76Å; P1718-F1726 HydrophobicContact CB-CG 4.2Å; P1718-F1726 CarbonylContact O-C 3.22Å; P1718-F1726 WeakPolarHBondContact O-CA 3.44Å; P1718-F1726 WeakPolarHBondContact O-CB 3.21Å; P1718-F1726 WeakPolarHBondContact O-CD1 3.39Å; P1718-F1726 WeakPolarHBondContact O-CG 3.4Å
1719	D	65.1	Low	63.6	Low	20 Å²	20	60.6 Å²	60.6	11%	0.107	35%	0.346	C	S	.	.	S	Bend	trans	-147	49.1	-158.9	-138.5	-101.3	0	0	0	110.6	D1717 D1721 N1722 G1724 Y1725 F1726 D1727	D1717-D1719 WeakPolarHBondContact OD1-CA 3.16Å; D1717-D1719 WeakPolarHBondContact OD1-CB 3.39Å; D1717-D1719 PolarHBondContact OD1-N 3.33Å; D1719-D1721 PolarHBondContact O-N 3.24Å; D1719-N1722 PolarHBondContact O-N 3.19Å; D1719-G1724 WeakPolarHBondContact OD1-CA 3.4Å; D1719-G1724 PolarHBondContact OD1-N 3.22Å; D1719-Y1725 PolarHBondContact OD1-N 2.98Å; D1719-Y1725 VanDerWaalsContact OD2-C 3.27Å; D1719-Y1725 PolarHBondContact OD2-N 2.86Å; D1719-F1726 HydrophobicContact CB-CD1 3.95Å; D1719-F1726 HydrophobicContact CB-CE1 4.48Å; D1719-F1726 WeakPolarHBondContact OD2-CD1 3.27Å; D1719-F1726 WeakPolarHBondContact OD2-CE1 3.28Å; D1719-F1726 PolarHBondContact OD2-N 3.01Å; D1719-D1727 PolarHBondContact N-OD1 2.7Å
1720	D	71.8	Confident	63.6	Low	40 Å²	40	66.4 Å²	66.4	21%	0.214	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.1	-15.1	-160.9	-58.5	-15.1	0	0	0	119.8	H1707 D1708 D1714 D1727	H1707-D1720 CarbonylContact C-O 2.98Å; H1707-D1720 WeakPolarHBondContact CB-O 3.45Å; D1708-D1720 WeakPolarHBondContact CB-O 3.37Å; D1708-D1720 PolarHBondContact N-O 2.89Å; D1714-D1720 WeakPolarHBondContact CA-OD1 3.46Å; D1714-D1720 HydrophobicContact CB-CB 4.25Å; D1720-D1727 HydrophobicContact CB-CB 4.28Å; D1720-D1727 WeakPolarHBondContact OD2-CB 3.43Å
1721	D	65.7	Low	63.2	Low	77 Å²	77	62.8 Å²	62.8	41%	0.412	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	4.8	176.6	65.5	10	0	0	0	115	D1708 D1719 D1723	D1708-D1721 VanDerWaalsContact CB-C 3.43Å; D1719-D1721 PolarHBondContact O-N 3.24Å; D1721-D1723 PolarHBondContact O-N 2.9Å; D1721-D1723 VanDerWaalsContact OD1-CB 3.28Å; D1721-D1723 WeakPolarHBondContact OD1-CB 3.47Å; D1721-D1723 VanDerWaalsContact OD1-CG 3.31Å; D1721-D1723 PolarHBondContact OD1-N 2.94Å
1722	N	56.1	Low	63.3	Low	73 Å²	73	63.1 Å²	63.1	39%	0.39	35%	0.348	S	S	.	.	S	Bend	trans	54.6	16.5	-171.6	-103.7	-57.5	0	0	0	116.2	I1605 D1708 D1719 G1724	I1605-N1722 HydrophobicContact CD1-CB 4.23Å; D1708-N1722 HydrophobicContact CB-CB 3.8Å; D1708-N1722 VanDerWaalsContact CB-N 3.34Å; D1708-N1722 VanDerWaalsContact OD2-CG 3.29Å; D1708-N1722 PolarHBondContact OD2-ND2 3.48Å; D1719-N1722 PolarHBondContact O-N 3.19Å; N1722-G1724 PolarHBondContact O-N 3.17Å
1723	D	65.8	Low	63.6	Low	61 Å²	61	62.2 Å²	62.2	33%	0.326	34%	0.344	S	S	.	.	S	Bend	trans	-60	-18.9	175.5	86.2	-18.4	0	0	0	112.1	D1721 Y1725	D1721-D1723 PolarHBondContact O-N 2.9Å; D1721-D1723 VanDerWaalsContact OD1-CB 3.28Å; D1721-D1723 WeakPolarHBondContact OD1-CB 3.47Å; D1721-D1723 VanDerWaalsContact OD1-CG 3.31Å; D1721-D1723 PolarHBondContact OD1-N 2.94Å; D1723-Y1725 WeakPolarHBondContact OD1-CA 3.49Å; D1723-Y1725 WeakPolarHBondContact OD1-CB 3.43Å; D1723-Y1725 WeakPolarHBondContact OD1-CD2 3.45Å; D1723-Y1725 PolarHBondContact OD1-N 2.83Å; D1723-Y1725 WeakPolarHBondContact OD2-CD2 3.15Å
1724	G	60.8	Low	63.1	Low	46 Å²	46	66.5 Å²	66.5	47%	0.474	37%	0.365	S	S	.	.	S	Bend	trans	112	6.7	179.9	0	0	0	0	0	113.7	D1719 N1722	D1719-G1724 WeakPolarHBondContact OD1-CA 3.4Å; D1719-G1724 PolarHBondContact OD1-N 3.22Å; N1722-G1724 PolarHBondContact O-N 3.17Å
1725	Y	55	Low	63.5	Low	46 Å²	46	67.2 Å²	67.2	18%	0.18	37%	0.369	C	S	.	.	S	Bend	trans	-129.8	113.2	-171	-65.3	-58	0	0	0	114.5	D1719 D1723 D1727 D1731 G1736 L1738	D1719-Y1725 PolarHBondContact OD1-N 2.98Å; D1719-Y1725 VanDerWaalsContact OD2-C 3.27Å; D1719-Y1725 PolarHBondContact OD2-N 2.86Å; D1723-Y1725 WeakPolarHBondContact OD1-CA 3.49Å; D1723-Y1725 WeakPolarHBondContact OD1-CB 3.43Å; D1723-Y1725 WeakPolarHBondContact OD1-CD2 3.45Å; D1723-Y1725 PolarHBondContact OD1-N 2.83Å; D1723-Y1725 WeakPolarHBondContact OD2-CD2 3.15Å; Y1725-D1727 PolarHBondContact O-N 3.18Å; Y1725-D1731 WeakPolarHBondContact CD2-OD2 3.4Å; Y1725-D1731 VanDerWaalsContact CE2-OD2 3.27Å; Y1725-D1731 WeakPolarHBondContact CE2-OD2 3.18Å; Y1725-G1736 WeakPolarHBondContact CE2-O 3.25Å; Y1725-G1736 VanDerWaalsContact CZ-O 3.26Å; Y1725-G1736 PolarHBondContact OH-O 2.89Å; Y1725-L1738 HydrophobicContact CD1-CD1 3.71Å; Y1725-L1738 HydrophobicContact CD1-CD2 3.35Å; Y1725-L1738 HydrophobicContact CD1-CG 3.34Å; Y1725-L1738 HydrophobicContact CD2-CD2 4.44Å; Y1725-L1738 HydrophobicContact CE1-CD1 4.01Å; Y1725-L1738 HydrophobicContact CE1-CD2 4.19Å; Y1725-L1738 HydrophobicContact CE1-CG 3.68Å; Y1725-L1738 HydrophobicContact CG-CD2 3.48Å; Y1725-L1738 VanDerWaalsContact CG-CD2 3.48Å; Y1725-L1738 HydrophobicContact CG-CG 3.91Å
1726	F	59.5	Low	63.4	Low	105 Å²	105	61.8 Å²	61.8	46%	0.461	34%	0.344	S	S	.	.			trans	-46.1	113.7	173.4	-51	-37.2	0	0	0	116.7	P1718 D1719 T1728 K1729	P1718-F1726 HydrophobicContact CB-CD1 3.51Å; P1718-F1726 HydrophobicContact CB-CE1 3.76Å; P1718-F1726 HydrophobicContact CB-CG 4.2Å; P1718-F1726 CarbonylContact O-C 3.22Å; P1718-F1726 WeakPolarHBondContact O-CA 3.44Å; P1718-F1726 WeakPolarHBondContact O-CB 3.21Å; P1718-F1726 WeakPolarHBondContact O-CD1 3.39Å; P1718-F1726 WeakPolarHBondContact O-CG 3.4Å; D1719-F1726 HydrophobicContact CB-CD1 3.95Å; D1719-F1726 HydrophobicContact CB-CE1 4.48Å; D1719-F1726 WeakPolarHBondContact OD2-CD1 3.27Å; D1719-F1726 WeakPolarHBondContact OD2-CE1 3.28Å; D1719-F1726 PolarHBondContact OD2-N 3.01Å; F1726-T1728 CarbonylContact O-C 3.53Å; F1726-T1728 PolarHBondContact O-N 2.8Å; F1726-K1729 VanDerWaalsContact N-NZ 3.14Å; F1726-K1729 PolarHBondContact O-N 3.29Å; F1726-K1729 PolarHBondContact O-NZ 3.13Å
1727	D	56.5	Low	63	Low	68 Å²	68	57.1 Å²	57.1	36%	0.364	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-33.5	-41.3	176.5	58.3	-72.5	0	0	0	113.8	D1719 D1720 Y1725 K1729	D1719-D1727 PolarHBondContact N-OD1 2.7Å; D1720-D1727 HydrophobicContact CB-CB 4.28Å; D1720-D1727 WeakPolarHBondContact OD2-CB 3.43Å; Y1725-D1727 PolarHBondContact O-N 3.18Å; D1727-K1729 PolarHBondContact O-N 3.24Å
1728	T	57.1	Low	63.2	Low	113 Å²	113	56 Å²	56	69%	0.693	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	3.4	170.6	59	0	0	0	0	116.2	F1726	F1726-T1728 CarbonylContact O-C 3.53Å; F1726-T1728 PolarHBondContact O-N 2.8Å
1729	K	59.7	Low	62.9	Low	49 Å²	49	54.8 Å²	54.8	21%	0.213	30%	0.3	C	S	.	.	S	Bend	trans	-155.9	111.7	172.1	-9.4	149	-88.7	37.4	0	108.8	F1726 D1727 L1738	F1726-K1729 VanDerWaalsContact N-NZ 3.14Å; F1726-K1729 PolarHBondContact O-N 3.29Å; F1726-K1729 PolarHBondContact O-NZ 3.13Å; D1727-K1729 PolarHBondContact O-N 3.24Å; K1729-L1738 HydrophobicContact CB-CD2 4.2Å; K1729-L1738 HydrophobicContact CD-CD1 3.88Å; K1729-L1738 HydrophobicContact CD-CD2 4.37Å; K1729-L1738 VanDerWaalsContact O-CD2 3.28Å; K1729-L1738 WeakPolarHBondContact O-CD2 3.32Å
1730	Q	58.2	Low	62.9	Low	143 Å²	143	61 Å²	61	67%	0.668	33%	0.328	S	S	*	.			trans	-58.3	155.1	179.8	-63	157	-78.1	0	0	113.7	L1738 N1739	Q1730-L1738 VanDerWaalsContact O-CA 3.24Å; Q1730-L1738 WeakPolarHBondContact O-CA 3.22Å; Q1730-N1739 PolarHBondContact O-N 3.01Å; Q1730-N1739 VanDerWaalsContact O-N 3.07Å; Q1730-N1739 PolarHBondContact O-OD1 3.13Å
1731	D	62	Low	62.8	Low	13 Å²	13	64.3 Å²	64.3	7%	0.07	34%	0.338	C	S	.	.			trans	-132.3	76.3	174.2	-156.5	-63	0	0	0	106.2	Y1725 D1733 N1734 G1736 L1737 L1738 N1739	Y1725-D1731 WeakPolarHBondContact CD2-OD2 3.4Å; Y1725-D1731 VanDerWaalsContact CE2-OD2 3.27Å; Y1725-D1731 WeakPolarHBondContact CE2-OD2 3.18Å; D1731-D1733 PolarHBondContact O-N 3.37Å; D1731-N1734 PolarHBondContact O-N 3.02Å; D1731-N1734 VanDerWaalsContact O-N 3.1Å; D1731-N1734 PolarHBondContact O-OD1 3.46Å; D1731-G1736 WeakPolarHBondContact OD1-CA 3.27Å; D1731-G1736 PolarHBondContact OD1-N 3.3Å; D1731-G1736 WeakPolarHBondContact OD2-CA 2.94Å; D1731-L1737 PolarHBondContact OD1-N 3.25Å; D1731-L1737 WeakPolarHBondContact OD2-CA 2.54Å; D1731-L1737 PolarHBondContact OD2-N 2.81Å; D1731-L1738 PolarHBondContact OD2-N 2.9Å; D1731-N1739 WeakPolarHBondContact CA-OD1 3.33Å; D1731-N1739 PolarHBondContact N-OD1 3.33Å
1732	S	67.7	Low	63	Low	48 Å²	48	61.3 Å²	61.3	34%	0.336	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-9.7	-157.8	-87.2	0	0	0	0	117.5	N1739 D1745	S1732-N1739 WeakPolarHBondContact CB-ND2 2.89Å; S1732-N1739 PolarHBondContact N-OD1 2.74Å; S1732-N1739 PolarHBondContact OG-ND2 3.34Å; S1732-N1739 PolarHBondContact OG-OD1 3.43Å; S1732-D1745 CarbonylContact C-O 3.55Å; S1732-D1745 WeakPolarHBondContact CB-O 3.19Å
1733	D	69	Low	64	Low	39 Å²	39	61.6 Å²	61.6	21%	0.209	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	3.6	176.6	73.9	-14.7	0	0	0	113.8	D1731 D1735 N1747	D1731-D1733 PolarHBondContact O-N 3.37Å; D1733-D1735 PolarHBondContact O-N 3.16Å; D1733-D1735 WeakPolarHBondContact OD1-CB 3.44Å; D1733-D1735 PolarHBondContact OD1-N 3.46Å; D1733-D1735 VanDerWaalsContact OD2-CB 3.32Å; D1733-D1735 WeakPolarHBondContact OD2-CB 3.47Å; D1733-N1747 HydrophobicContact CB-CB 4.08Å; D1733-N1747 WeakPolarHBondContact OD2-CB 3.46Å; D1733-N1747 PolarHBondContact OD2-ND2 3.15Å
1734	N	56.7	Low	64.7	Low	119 Å²	119	58.9 Å²	58.9	64%	0.636	31%	0.309	S	S	*	.	S	Bend	trans	46.5	28.3	-171.4	-67.3	47.5	0	0	0	113.9	D1731 G1736	D1731-N1734 PolarHBondContact O-N 3.02Å; D1731-N1734 VanDerWaalsContact O-N 3.1Å; D1731-N1734 PolarHBondContact O-OD1 3.46Å; N1734-G1736 PolarHBondContact O-N 2.59Å
1735	D	72.1	Confident	65.5	Low	40 Å²	40	57.6 Å²	57.6	21%	0.214	29%	0.291	C	S	.	.	S	Bend	trans	-68.6	-21.5	169.9	174.2	-78.1	0	0	0	111.4	G662 D663 A664 D1733	G662-D1735 VanDerWaalsContact C-OD1 3.32Å; G662-D1735 WeakPolarHBondContact CA-OD1 3.34Å; D663-D1735 WeakPolarHBondContact CA-OD1 3.17Å; D663-D1735 PolarHBondContact N-OD1 3.04Å; D663-D1735 PolarHBondContact N-OD2 2.93Å; A664-D1735 PolarHBondContact N-OD1 2.63Å; D1733-D1735 PolarHBondContact O-N 3.16Å; D1733-D1735 WeakPolarHBondContact OD1-CB 3.44Å; D1733-D1735 PolarHBondContact OD1-N 3.46Å; D1733-D1735 VanDerWaalsContact OD2-CB 3.32Å; D1733-D1735 WeakPolarHBondContact OD2-CB 3.47Å
1736	G	65.7	Low	66.5	Low	12 Å²	12	57.8 Å²	57.8	12%	0.124	30%	0.295	C	S	.	.	S	Bend	trans	93.1	37.4	-171.3	0	0	0	0	0	111.6	A664 Y1725 D1731 N1734	A664-G1736 WeakPolarHBondContact CA-O 2.69Å; A664-G1736 WeakPolarHBondContact CB-O 3.39Å; Y1725-G1736 WeakPolarHBondContact CE2-O 3.25Å; Y1725-G1736 VanDerWaalsContact CZ-O 3.26Å; Y1725-G1736 PolarHBondContact OH-O 2.89Å; D1731-G1736 WeakPolarHBondContact OD1-CA 3.27Å; D1731-G1736 PolarHBondContact OD1-N 3.3Å; D1731-G1736 WeakPolarHBondContact OD2-CA 2.94Å; N1734-G1736 PolarHBondContact O-N 2.59Å
1737	L	64.1	Low	66.8	Low	1 Å²	1	55 Å²	55	1%	0.005	29%	0.285	C	S	.	.			trans	-130.3	108.8	160.4	-74.1	-168.8	0	0	0	114.3	G662 T667 D1731 N1739 D1742	G662-L1737 VanDerWaalsContact O-CD1 3.26Å; G662-L1737 WeakPolarHBondContact O-CD1 3.25Å; T667-L1737 HydrophobicContact CG2-CD1 3.88Å; T667-L1737 HydrophobicContact CG2-CD2 3.44Å; T667-L1737 VanDerWaalsContact CG2-CD2 3.44Å; T667-L1737 HydrophobicContact CG2-CG 4.34Å; D1731-L1737 PolarHBondContact OD1-N 3.25Å; D1731-L1737 WeakPolarHBondContact OD2-CA 2.54Å; D1731-L1737 PolarHBondContact OD2-N 2.81Å; L1737-N1739 PolarHBondContact O-N 3.03Å; L1737-D1742 HydrophobicContact CB-CB 3.95Å; L1737-D1742 WeakPolarHBondContact CB-OD2 3.44Å; L1737-D1742 HydrophobicContact CD1-CB 4.13Å
1738	L	67	Low	67.9	Low	1 Å²	1	56.2 Å²	56.2	1%	0.005	29%	0.292	C	S	.	.			trans	-32.8	129.1	157.3	-55.6	179.9	0	0	0	114.5	Y1725 K1729 Q1730 D1731 E1740 W1741 D1742	Y1725-L1738 HydrophobicContact CD1-CD1 3.71Å; Y1725-L1738 HydrophobicContact CD1-CD2 3.35Å; Y1725-L1738 HydrophobicContact CD1-CG 3.34Å; Y1725-L1738 HydrophobicContact CD2-CD2 4.44Å; Y1725-L1738 HydrophobicContact CE1-CD1 4.01Å; Y1725-L1738 HydrophobicContact CE1-CD2 4.19Å; Y1725-L1738 HydrophobicContact CE1-CG 3.68Å; Y1725-L1738 HydrophobicContact CG-CD2 3.48Å; Y1725-L1738 VanDerWaalsContact CG-CD2 3.48Å; Y1725-L1738 HydrophobicContact CG-CG 3.91Å; K1729-L1738 HydrophobicContact CB-CD2 4.2Å; K1729-L1738 HydrophobicContact CD-CD1 3.88Å; K1729-L1738 HydrophobicContact CD-CD2 4.37Å; K1729-L1738 VanDerWaalsContact O-CD2 3.28Å; K1729-L1738 WeakPolarHBondContact O-CD2 3.32Å; Q1730-L1738 VanDerWaalsContact O-CA 3.24Å; Q1730-L1738 WeakPolarHBondContact O-CA 3.22Å; D1731-L1738 PolarHBondContact OD2-N 2.9Å; L1738-E1740 PolarHBondContact O-N 3.23Å; L1738-W1741 HydrophobicContact CB-CB 4.4Å; L1738-W1741 HydrophobicContact CD1-CD2 4.04Å; L1738-W1741 HydrophobicContact CD1-CE3 4.11Å; L1738-W1741 HydrophobicContact CD1-CH2 4.38Å; L1738-W1741 HydrophobicContact CD1-CZ2 4.29Å; L1738-W1741 HydrophobicContact CD1-CZ3 4.29Å; L1738-W1741 CarbonylContact O-C 3.51Å; L1738-W1741 WeakPolarHBondContact O-CA 3.25Å; L1738-W1741 PolarHBondContact O-N 2.67Å; L1738-D1742 PolarHBondContact O-N 2.75Å
1739	N	64.8	Low	68.7	Low	37 Å²	37	52.4 Å²	52.4	20%	0.198	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-25.2	170.9	-59.8	57.5	0	0	0	113.2	Q1730 D1731 S1732 L1737 W1741 D1745	Q1730-N1739 PolarHBondContact O-N 3.01Å; Q1730-N1739 VanDerWaalsContact O-N 3.07Å; Q1730-N1739 PolarHBondContact O-OD1 3.13Å; D1731-N1739 WeakPolarHBondContact CA-OD1 3.33Å; D1731-N1739 PolarHBondContact N-OD1 3.33Å; S1732-N1739 WeakPolarHBondContact CB-ND2 2.89Å; S1732-N1739 PolarHBondContact N-OD1 2.74Å; S1732-N1739 PolarHBondContact OG-ND2 3.34Å; S1732-N1739 PolarHBondContact OG-OD1 3.43Å; L1737-N1739 PolarHBondContact O-N 3.03Å; N1739-W1741 PolarHBondContact O-N 3.14Å; N1739-D1745 WeakPolarHBondContact CA-OD1 3.36Å; N1739-D1745 VanDerWaalsContact CB-OD2 3.23Å; N1739-D1745 WeakPolarHBondContact CB-OD2 3.41Å; N1739-D1745 WeakPolarHBondContact ND2-CB 3.15Å; N1739-D1745 PolarHBondContact ND2-OD2 3.45Å
1740	E	66	Low	69.3	Low	150 Å²	150	52.2 Å²	52.2	70%	0.701	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.6	172.4	-82.9	-150.9	161.5	0	0	113.2	L1738	L1738-E1740 PolarHBondContact O-N 3.23Å
1741	W	70	Confident	70.2	Confident	110 Å²	110	48 Å²	48	42%	0.417	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-22.1	-161.4	-66.2	5.1	0	0	0	114.1	T667 L1738 N1739	T667-W1741 HydrophobicContact CG2-CB 3.7Å; T667-W1741 WeakPolarHBondContact CG2-O 3.26Å; T667-W1741 PolarHBondContact OG1-O 2.92Å; L1738-W1741 HydrophobicContact CB-CB 4.4Å; L1738-W1741 HydrophobicContact CD1-CD2 4.04Å; L1738-W1741 HydrophobicContact CD1-CE3 4.11Å; L1738-W1741 HydrophobicContact CD1-CH2 4.38Å; L1738-W1741 HydrophobicContact CD1-CZ2 4.29Å; L1738-W1741 HydrophobicContact CD1-CZ3 4.29Å; L1738-W1741 CarbonylContact O-C 3.51Å; L1738-W1741 WeakPolarHBondContact O-CA 3.25Å; L1738-W1741 PolarHBondContact O-N 2.67Å; N1739-W1741 PolarHBondContact O-N 3.14Å
1742	D	68.9	Low	70.8	Confident	13 Å²	13	49.5 Å²	49.5	7%	0.07	27%	0.269	C	S	.	.			trans	-59.7	174.3	167.9	-144.2	-27.8	0	0	0	112.4	G662 L1737 L1738 D1744	G662-D1742 WeakPolarHBondContact CA-OD2 3.43Å; G662-D1742 VanDerWaalsContact N-CG 3.26Å; G662-D1742 PolarHBondContact N-OD1 3.32Å; G662-D1742 PolarHBondContact N-OD2 3.21Å; L1737-D1742 HydrophobicContact CB-CB 3.95Å; L1737-D1742 WeakPolarHBondContact CB-OD2 3.44Å; L1737-D1742 HydrophobicContact CD1-CB 4.13Å; L1738-D1742 PolarHBondContact O-N 2.75Å; D1742-D1744 PolarHBondContact OD1-N 3.24Å
1743	D	77.6	Confident	71.2	Confident	80 Å²	80	52.8 Å²	52.8	43%	0.428	29%	0.286	S	S	.	.	S	Bend	trans	-127.2	20.6	163.4	-64.2	-59.8	0	0	0	109.6	P1751 D1752	D1743-P1751 WeakPolarHBondContact O-CA 3.24Å; D1743-P1751 WeakPolarHBondContact O-CB 3.31Å; D1743-D1752 VanDerWaalsContact CA-OD1 3.28Å; D1743-D1752 WeakPolarHBondContact CA-OD1 3.35Å
1744	D	79.6	Confident	71.5	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.016	31%	0.314	C	S	.	.			trans	-168.3	48.5	-172.3	-157.9	52.6	0	0	0	113.9	G661 D1742 D1746 N1747 G1749 I1750 P1751 D1752	G661-D1744 WeakPolarHBondContact CA-OD2 3.3Å; G661-D1744 PolarHBondContact N-OD2 3.34Å; D1742-D1744 PolarHBondContact OD1-N 3.24Å; D1744-D1746 PolarHBondContact O-N 2.8Å; D1744-N1747 PolarHBondContact O-N 3.37Å; D1744-G1749 WeakPolarHBondContact OD1-CA 3.19Å; D1744-G1749 WeakPolarHBondContact OD2-CA 3.21Å; D1744-I1750 PolarHBondContact OD1-N 3.06Å; D1744-I1750 VanDerWaalsContact OD1-N 3.11Å; D1744-P1751 WeakPolarHBondContact OD1-CA 3.12Å; D1744-P1751 WeakPolarHBondContact OD1-CD 3.41Å; D1744-D1752 PolarHBondContact N-OD1 3.17Å
1745	D	78.9	Confident	72.1	Confident	20 Å²	20	54 Å²	54	11%	0.107	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-10	-162.7	-56.3	-5.7	0	0	0	119.3	S1732 N1739 S1758	S1732-D1745 CarbonylContact C-O 3.55Å; S1732-D1745 WeakPolarHBondContact CB-O 3.19Å; N1739-D1745 WeakPolarHBondContact CA-OD1 3.36Å; N1739-D1745 VanDerWaalsContact CB-OD2 3.23Å; N1739-D1745 WeakPolarHBondContact CB-OD2 3.41Å; N1739-D1745 WeakPolarHBondContact ND2-CB 3.15Å; N1739-D1745 PolarHBondContact ND2-OD2 3.45Å; D1745-S1758 WeakPolarHBondContact CB-O 3.22Å
1746	D	75.6	Confident	72.2	Confident	50 Å²	50	52.8 Å²	52.8	27%	0.267	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-0.1	-179.1	82.2	-23.4	0	0	0	115.1	D1744 D1748	D1744-D1746 PolarHBondContact O-N 2.8Å; D1746-D1748 PolarHBondContact O-N 3.07Å; D1746-D1748 VanDerWaalsContact O-N 3.14Å; D1746-D1748 WeakPolarHBondContact OD1-CB 3.3Å; D1746-D1748 PolarHBondContact OD1-N 3.36Å; D1746-D1748 WeakPolarHBondContact OD2-CB 3.31Å
1747	N	65.8	Low	72.5	Confident	47 Å²	47	54.6 Å²	54.6	25%	0.251	29%	0.293	S	S	.	.	S	Bend	trans	52.4	18.5	-171.6	-131.3	-71.8	0	0	0	117	G661 D1733 D1744 G1749	G661-N1747 PolarHBondContact O-ND2 3.34Å; D1733-N1747 HydrophobicContact CB-CB 4.08Å; D1733-N1747 WeakPolarHBondContact OD2-CB 3.46Å; D1733-N1747 PolarHBondContact OD2-ND2 3.15Å; D1744-N1747 PolarHBondContact O-N 3.37Å; N1747-G1749 PolarHBondContact O-N 3.21Å
1748	D	79.1	Confident	73	Confident	93 Å²	93	55.1 Å²	55.1	50%	0.497	30%	0.296	S	S	.	.	S	Bend	trans	-58.6	-33.3	169.6	156.3	-75.7	0	0	0	110.9	D1746 I1750	D1746-D1748 PolarHBondContact O-N 3.07Å; D1746-D1748 VanDerWaalsContact O-N 3.14Å; D1746-D1748 WeakPolarHBondContact OD1-CB 3.3Å; D1746-D1748 PolarHBondContact OD1-N 3.36Å; D1746-D1748 WeakPolarHBondContact OD2-CB 3.31Å; D1748-I1750 WeakPolarHBondContact OD1-CB 3.34Å; D1748-I1750 WeakPolarHBondContact OD1-CD1 3.23Å; D1748-I1750 WeakPolarHBondContact OD1-CG1 3.41Å; D1748-I1750 PolarHBondContact OD1-N 3.44Å
1749	G	74.9	Confident	73	Confident	33 Å²	33	58 Å²	58	34%	0.34	31%	0.312	S	S	.	.	S	Bend	trans	96.1	20.1	-175.8	0	0	0	0	0	114.1	D1744 N1747	D1744-G1749 WeakPolarHBondContact OD1-CA 3.19Å; D1744-G1749 WeakPolarHBondContact OD2-CA 3.21Å; N1747-G1749 PolarHBondContact O-N 3.21Å
1750	I	72	Confident	73	Confident	44 Å²	44	58.2 Å²	58.2	23%	0.226	32%	0.323	C	S	.	.	S	Bend	trans	-112.5	106.3	162.5	-57	159.3	0	0	0	108.3	D1744 D1748 D1752 D1755	D1744-I1750 PolarHBondContact OD1-N 3.06Å; D1744-I1750 VanDerWaalsContact OD1-N 3.11Å; D1748-I1750 WeakPolarHBondContact OD1-CB 3.34Å; D1748-I1750 WeakPolarHBondContact OD1-CD1 3.23Å; D1748-I1750 WeakPolarHBondContact OD1-CG1 3.41Å; D1748-I1750 PolarHBondContact OD1-N 3.44Å; I1750-D1752 PolarHBondContact O-N 2.76Å; I1750-D1755 HydrophobicContact CB-CB 4.05Å; I1750-D1755 WeakPolarHBondContact CD1-OD1 3.46Å; I1750-D1755 HydrophobicContact CG2-CB 3.55Å; I1750-D1755 WeakPolarHBondContact CG2-OD1 3.36Å
1751	P	77.5	Confident	73.1	Confident	56 Å²	56	52.6 Å²	52.6	36%	0.364	30%	0.298	S	S	.	.			trans	-49	135.9	178.2	-39.8	42	0	0	0	114.6	D1743 D1744 V1753 D1754 D1755	D1743-P1751 WeakPolarHBondContact O-CA 3.24Å; D1743-P1751 WeakPolarHBondContact O-CB 3.31Å; D1744-P1751 WeakPolarHBondContact OD1-CA 3.12Å; D1744-P1751 WeakPolarHBondContact OD1-CD 3.41Å; P1751-V1753 PolarHBondContact O-N 3.37Å; P1751-D1754 CarbonylContact O-C 3.51Å; P1751-D1754 WeakPolarHBondContact O-CA 3.49Å; P1751-D1754 PolarHBondContact O-N 2.88Å; P1751-D1755 PolarHBondContact O-N 2.92Å
1752	D	74	Confident	72.8	Confident	44 Å²	44	49.5 Å²	49.5	24%	0.235	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-30.6	-175.5	51.6	-85.6	0	0	0	113.5	D1743 D1744 I1750 D1754 S1758	D1743-D1752 VanDerWaalsContact CA-OD1 3.28Å; D1743-D1752 WeakPolarHBondContact CA-OD1 3.35Å; D1744-D1752 PolarHBondContact N-OD1 3.17Å; I1750-D1752 PolarHBondContact O-N 2.76Å; D1752-D1754 VanDerWaalsContact C-N 3.3Å; D1752-D1754 PolarHBondContact O-N 3.45Å; D1752-S1758 PolarHBondContact O-OG 3.02Å
1753	V	76.4	Confident	72.1	Confident	116 Å²	116	52.2 Å²	52.2	70%	0.703	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.7	176.7	-149.1	0	0	0	0	114.6	P1751	P1751-V1753 PolarHBondContact O-N 3.37Å
1754	D	75.9	Confident	71.3	Confident	147 Å²	147	50.3 Å²	50.3	79%	0.786	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	-11.2	178.3	-101.6	-25	0	0	0	112.7	P1751 D1752	P1751-D1754 CarbonylContact O-C 3.51Å; P1751-D1754 WeakPolarHBondContact O-CA 3.49Å; P1751-D1754 PolarHBondContact O-N 2.88Å; D1752-D1754 VanDerWaalsContact C-N 3.3Å; D1752-D1754 PolarHBondContact O-N 3.45Å
1755	D	69.5	Low	70.2	Confident	37 Å²	37	55.5 Å²	55.5	20%	0.198	33%	0.331	C	S	.	.			trans	-81.5	-178	172.5	-158.1	48.3	0	0	0	113.4	I1750 P1751 D1757	I1750-D1755 HydrophobicContact CB-CB 4.05Å; I1750-D1755 WeakPolarHBondContact CD1-OD1 3.46Å; I1750-D1755 HydrophobicContact CG2-CB 3.55Å; I1750-D1755 WeakPolarHBondContact CG2-OD1 3.36Å; P1751-D1755 PolarHBondContact O-N 2.92Å; D1755-D1757 WeakPolarHBondContact OD2-CA 3.43Å; D1755-D1757 WeakPolarHBondContact OD2-CB 3.49Å; D1755-D1757 PolarHBondContact OD2-N 3.28Å
1756	E	72.4	Confident	69.2	Low	15 Å²	15	58.1 Å²	58.1	7%	0.07	35%	0.35	C	S	.	.	S	Bend	trans	-125.7	1.3	170.8	-74.2	-169.3	-171.5	0	0	113.3	S844 R845 I846 I1764 D1765	S844-E1756 WeakPolarHBondContact CB-OE2 3.37Å; R845-E1756 IonicContact CZ-OE1 3.53Å; R845-E1756 IonicContact NE-OE1 3.14Å; R845-E1756 PolarHBondContact NE-OE1 3.29Å; R845-E1756 IonicContact NH2-OE1 2.72Å; R845-E1756 PolarHBondContact NH2-OE1 2.79Å; I846-E1756 WeakPolarHBondContact CD1-OE2 3.36Å; E1756-I1764 HydrophobicContact CB-CG2 4.28Å; E1756-I1764 CarbonylContact O-C 3.42Å; E1756-I1764 VanDerWaalsContact O-C 3.26Å; E1756-I1764 WeakPolarHBondContact O-CA 3.42Å; E1756-I1764 VanDerWaalsContact O-CB 3.32Å; E1756-I1764 WeakPolarHBondContact O-CB 3.4Å; E1756-I1764 WeakPolarHBondContact O-CG1 3.38Å; E1756-I1764 VanDerWaalsContact O-CG2 3.27Å; E1756-I1764 WeakPolarHBondContact O-CG2 3.5Å; E1756-D1765 PolarHBondContact O-N 3.13Å
1757	D	72.5	Confident	68.3	Low	49 Å²	49	61.1 Å²	61.1	26%	0.262	36%	0.362	S	S	.	.	S	Bend	trans	-138.9	43.4	-167.6	-153.1	-6.2	0	0	0	111	D1755 N1759 G1760 G1762 I1763	D1755-D1757 WeakPolarHBondContact OD2-CA 3.43Å; D1755-D1757 WeakPolarHBondContact OD2-CB 3.49Å; D1755-D1757 PolarHBondContact OD2-N 3.28Å; D1757-N1759 VanDerWaalsContact C-N 3.26Å; D1757-N1759 PolarHBondContact O-N 2.88Å; D1757-G1760 PolarHBondContact O-N 2.89Å; D1757-G1760 VanDerWaalsContact O-N 3.08Å; D1757-G1762 WeakPolarHBondContact OD1-CA 3.4Å; D1757-G1762 PolarHBondContact OD1-N 2.94Å; D1757-G1762 VanDerWaalsContact OD1-N 3.12Å; D1757-G1762 WeakPolarHBondContact OD2-CA 3.27Å; D1757-I1763 PolarHBondContact OD1-N 3.05Å; D1757-I1763 VanDerWaalsContact OD1-N 3.12Å
1758	S	74.4	Confident	67.9	Low	12 Å²	12	62 Å²	62	8%	0.084	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-18.9	-149	-61.1	0	0	0	0	118.8	D1745 D1752	D1745-S1758 WeakPolarHBondContact CB-O 3.22Å; D1752-S1758 PolarHBondContact O-OG 3.02Å
1759	N	68.6	Low	66.7	Low	62 Å²	62	62.5 Å²	62.5	33%	0.332	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	19.1	-176	59.7	-84.3	0	0	0	112.9	D1757 D1761	D1757-N1759 VanDerWaalsContact C-N 3.26Å; D1757-N1759 PolarHBondContact O-N 2.88Å; N1759-D1761 VanDerWaalsContact C-N 3.26Å; N1759-D1761 PolarHBondContact ND2-OD2 2.73Å; N1759-D1761 PolarHBondContact O-N 3.11Å
1760	G	64	Low	66.2	Low	41 Å²	41	62.7 Å²	62.7	42%	0.423	36%	0.363	S	S	.	.	S	Bend	trans	74.5	1.1	169	0	0	0	0	0	116.6	D1757 G1762	D1757-G1760 PolarHBondContact O-N 2.89Å; D1757-G1760 VanDerWaalsContact O-N 3.08Å; G1760-G1762 VanDerWaalsContact C-N 3.3Å; G1760-G1762 PolarHBondContact O-N 2.94Å
1761	D	68.8	Low	66.1	Low	33 Å²	33	61.1 Å²	61.1	18%	0.176	36%	0.356	C	S	.	.	S	Bend	trans	-77.5	-9.9	-177.1	65.8	7.5	0	0	0	114.1	L1653 N1759 I1763	L1653-D1761 HydrophobicContact CD2-CB 4.33Å; N1759-D1761 VanDerWaalsContact C-N 3.26Å; N1759-D1761 PolarHBondContact ND2-OD2 2.73Å; N1759-D1761 PolarHBondContact O-N 3.11Å; D1761-I1763 VanDerWaalsContact C-N 3.3Å; D1761-I1763 WeakPolarHBondContact OD1-CA 3.43Å; D1761-I1763 VanDerWaalsContact OD1-CB 3.3Å; D1761-I1763 WeakPolarHBondContact OD1-CB 3.31Å; D1761-I1763 PolarHBondContact OD1-N 2.75Å
1762	G	62.9	Low	65.8	Low	45 Å²	45	59.3 Å²	59.3	46%	0.464	34%	0.343	S	S	.	.	S	Bend	trans	87.4	-4.7	-176.3	0	0	0	0	0	113.8	D1757 G1760 I1764	D1757-G1762 WeakPolarHBondContact OD1-CA 3.4Å; D1757-G1762 PolarHBondContact OD1-N 2.94Å; D1757-G1762 VanDerWaalsContact OD1-N 3.12Å; D1757-G1762 WeakPolarHBondContact OD2-CA 3.27Å; G1760-G1762 VanDerWaalsContact C-N 3.3Å; G1760-G1762 PolarHBondContact O-N 2.94Å; G1762-I1764 PolarHBondContact O-N 2.65Å
1763	I	53.4	Low	64.9	Low	69 Å²	69	61.9 Å²	61.9	35%	0.354	36%	0.357	S	S	.	.			trans	-96.5	95.7	-177.9	-50.1	-179.4	0	0	0	109.5	M1655 D1757 D1761 D1765	M1655-I1763 HydrophobicContact CG-CD1 3.9Å; M1655-I1763 HydrophobicContact SD-CD1 3.7Å; D1757-I1763 PolarHBondContact OD1-N 3.05Å; D1757-I1763 VanDerWaalsContact OD1-N 3.12Å; D1761-I1763 VanDerWaalsContact C-N 3.3Å; D1761-I1763 WeakPolarHBondContact OD1-CA 3.43Å; D1761-I1763 VanDerWaalsContact OD1-CB 3.3Å; D1761-I1763 WeakPolarHBondContact OD1-CB 3.31Å; D1761-I1763 PolarHBondContact OD1-N 2.75Å; I1763-D1765 PolarHBondContact O-N 2.92Å; I1763-D1765 VanDerWaalsContact O-N 3.08Å
1764	I	60.6	Low	64.9	Low	41 Å²	41	61.1 Å²	61.1	21%	0.21	35%	0.349	C	S	.	.			trans	-47	118.6	-179.6	-76.7	175.4	0	0	0	113.2	I846 E1756 G1762 C1766 Q1767	I846-I1764 HydrophobicContact CD1-CD1 4.2Å; I846-I1764 HydrophobicContact CD1-CG2 3.92Å; E1756-I1764 HydrophobicContact CB-CG2 4.28Å; E1756-I1764 CarbonylContact O-C 3.42Å; E1756-I1764 VanDerWaalsContact O-C 3.26Å; E1756-I1764 WeakPolarHBondContact O-CA 3.42Å; E1756-I1764 VanDerWaalsContact O-CB 3.32Å; E1756-I1764 WeakPolarHBondContact O-CB 3.4Å; E1756-I1764 WeakPolarHBondContact O-CG1 3.38Å; E1756-I1764 VanDerWaalsContact O-CG2 3.27Å; E1756-I1764 WeakPolarHBondContact O-CG2 3.5Å; G1762-I1764 PolarHBondContact O-N 2.65Å; I1764-C1766 PolarHBondContact O-N 3.31Å; I1764-Q1767 HydrophobicContact CB-CG 3.91Å; I1764-Q1767 HydrophobicContact CG2-CG 4.04Å; I1764-Q1767 WeakPolarHBondContact O-CB 3.46Å; I1764-Q1767 WeakPolarHBondContact O-CG 3.35Å; I1764-Q1767 PolarHBondContact O-N 2.79Å
1765	D	58.1	Low	64.4	Low	112 Å²	112	56.6 Å²	56.6	60%	0.599	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-6.4	-172	167.2	70.1	0	0	0	116.1	E1756 I1763	E1756-D1765 PolarHBondContact O-N 3.13Å; I1763-D1765 PolarHBondContact O-N 2.92Å; I1763-D1765 VanDerWaalsContact O-N 3.08Å
1766	C	56.9	Low	64.2	Low	74 Å²	74	57.5 Å²	57.5	50%	0.5	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	17.5	175.3	62.1	0	0	0	0	115.8	I1764	I1764-C1766 PolarHBondContact O-N 3.31Å
1767	Q	56	Low	63.9	Low	113 Å²	113	57.9 Å²	57.9	53%	0.528	35%	0.345	S	S	.	.			trans	-75.2	124.4	161.5	-66.8	-83.8	67.6	0	0	109.4	I1764	I1764-Q1767 HydrophobicContact CB-CG 3.91Å; I1764-Q1767 HydrophobicContact CG2-CG 4.04Å; I1764-Q1767 WeakPolarHBondContact O-CB 3.46Å; I1764-Q1767 WeakPolarHBondContact O-CG 3.35Å; I1764-Q1767 PolarHBondContact O-N 2.79Å
1768	P	57.8	Low	63.5	Low	66 Å²	66	57.4 Å²	57.4	43%	0.429	34%	0.343	S	S	.	.			trans	-82.8	134.8	165.3	30.2	-26	0	0	0	109.9	P1777	P1768-P1777 HydrophobicContact CB-CB 4.1Å; P1768-P1777 HydrophobicContact CG-CB 3.81Å; P1768-P1777 HydrophobicContact CG-CG 3.76Å; P1768-P1777 WeakPolarHBondContact O-CB 3.3Å; P1768-P1777 WeakPolarHBondContact O-CG 3.24Å
1769	H	54.3	Low	63.2	Low	103 Å²	103	62.6 Å²	62.6	48%	0.477	37%	0.365	S	S	.	.			trans	-37.4	141.3	176.6	-160.4	61.2	0	0	0	113.8	S1771 P1777 D1778	H1769-S1771 PolarHBondContact CD2-OG 3.49Å; H1769-S1771 VanDerWaalsContact CD2-OG 3.29Å; H1769-S1771 PolarHBondContact NE2-OG 2.96Å; H1769-P1777 CarbonylContact O-C 3.49Å; H1769-P1777 WeakPolarHBondContact O-CA 3.49Å; H1769-P1777 WeakPolarHBondContact O-CB 3.41Å; H1769-D1778 WeakPolarHBondContact CB-OD1 3.44Å; H1769-D1778 IonicContact CD2-OD1 3.61Å; H1769-D1778 PolarHBondContact CD2-OD1 2.92Å; H1769-D1778 IonicContact CG-OD1 3.65Å; H1769-D1778 PolarHBondContact O-N 3.03Å; H1769-D1778 VanDerWaalsContact O-N 3.12Å
1770	D	64.9	Low	63.4	Low	37 Å²	37	62.7 Å²	62.7	20%	0.198	37%	0.365	C	S	.	.			trans	-146.9	64.5	-162.1	-159.7	26.4	0	0	0	108.3	D1772 N1773 G1775 I1776 P1777 D1778	D1770-D1772 PolarHBondContact O-N 2.93Å; D1770-N1773 PolarHBondContact O-N 2.95Å; D1770-G1775 WeakPolarHBondContact OD2-CA 3.44Å; D1770-G1775 PolarHBondContact OD2-N 3.12Å; D1770-I1776 WeakPolarHBondContact OD1-CA 3.28Å; D1770-I1776 PolarHBondContact OD1-N 3.05Å; D1770-P1777 WeakPolarHBondContact OD1-CA 3.32Å; D1770-D1778 PolarHBondContact N-OD1 2.88Å
1771	S	69.7	Low	63.7	Low	12 Å²	12	62.6 Å²	62.6	8%	0.084	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	3.8	-163.1	-50.2	0	0	0	0	118	P1663 H1769 D1778 D1784	P1663-S1771 WeakPolarHBondContact CD-O 3.32Å; H1769-S1771 PolarHBondContact CD2-OG 3.49Å; H1769-S1771 VanDerWaalsContact CD2-OG 3.29Å; H1769-S1771 PolarHBondContact NE2-OG 2.96Å; S1771-D1778 PolarHBondContact OG-OD1 2.63Å; S1771-D1784 CarbonylContact C-O 3.57Å; S1771-D1784 VanDerWaalsContact C-O 3.29Å; S1771-D1784 WeakPolarHBondContact CB-O 3.28Å
1772	D	71.4	Confident	64	Low	17 Å²	17	68 Å²	68	9%	0.091	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	6.6	170.2	82.7	-25.7	0	0	0	114	D1770 D1774 D1784 N1786	D1770-D1772 PolarHBondContact O-N 2.93Å; D1772-D1774 PolarHBondContact O-N 2.95Å; D1772-D1774 VanDerWaalsContact OD1-CB 3.26Å; D1772-D1774 WeakPolarHBondContact OD1-CB 3.37Å; D1772-D1774 PolarHBondContact OD1-N 3.15Å; D1772-D1774 WeakPolarHBondContact OD2-CB 3.45Å; D1772-D1784 PolarHBondContact N-O 3.1Å; D1772-N1786 HydrophobicContact CB-CB 4.01Å; D1772-N1786 PolarHBondContact OD2-ND2 3.02Å
1773	N	54.1	Low	64.7	Low	98 Å²	98	67.9 Å²	67.9	52%	0.524	37%	0.368	S	S	.	.	S	Bend	trans	51	20.8	-175.9	-82.2	-39.6	0	0	0	115.6	D1656 D1770 G1775	D1656-N1773 PolarHBondContact OD2-ND2 3.4Å; D1770-N1773 PolarHBondContact O-N 2.95Å; N1773-G1775 VanDerWaalsContact C-N 3.32Å; N1773-G1775 PolarHBondContact O-N 3.18Å
1774	D	76.9	Confident	65.8	Low	101 Å²	101	65.9 Å²	65.9	54%	0.54	36%	0.358	S	S	.	.	S	Bend	trans	-68.1	-28	176.4	176.5	-83.5	0	0	0	112.8	D1772 I1776	D1772-D1774 PolarHBondContact O-N 2.95Å; D1772-D1774 VanDerWaalsContact OD1-CB 3.26Å; D1772-D1774 WeakPolarHBondContact OD1-CB 3.37Å; D1772-D1774 PolarHBondContact OD1-N 3.15Å; D1772-D1774 WeakPolarHBondContact OD2-CB 3.45Å; D1774-I1776 WeakPolarHBondContact OD1-CD1 3.43Å; D1774-I1776 VanDerWaalsContact OD1-CG1 3.22Å; D1774-I1776 WeakPolarHBondContact OD1-CG1 3.26Å
1775	G	65.5	Low	66.4	Low	52 Å²	52	65.7 Å²	65.7	54%	0.536	36%	0.357	S	S	.	.	S	Bend	trans	96.8	25.9	-166.7	0	0	0	0	0	113.7	D1770 N1773	D1770-G1775 WeakPolarHBondContact OD2-CA 3.44Å; D1770-G1775 PolarHBondContact OD2-N 3.12Å; N1773-G1775 VanDerWaalsContact C-N 3.32Å; N1773-G1775 PolarHBondContact O-N 3.18Å
1776	I	64.3	Low	66.6	Low	56 Å²	56	65.1 Å²	65.1	29%	0.287	35%	0.354	S	S	.	.	S	Bend	trans	-130.2	82.5	176.6	-59.2	174.3	0	0	0	109.2	D1770 D1774 D1778 I1780 D1781	D1770-I1776 WeakPolarHBondContact OD1-CA 3.28Å; D1770-I1776 PolarHBondContact OD1-N 3.05Å; D1774-I1776 WeakPolarHBondContact OD1-CD1 3.43Å; D1774-I1776 VanDerWaalsContact OD1-CG1 3.22Å; D1774-I1776 WeakPolarHBondContact OD1-CG1 3.26Å; I1776-D1778 PolarHBondContact O-N 3.34Å; I1776-I1780 HydrophobicContact CG2-CB 3.85Å; I1776-I1780 HydrophobicContact CG2-CG2 3.66Å; I1776-D1781 HydrophobicContact CB-CB 4.45Å; I1776-D1781 HydrophobicContact CG2-CB 3.86Å
1777	P	66	Low	67.5	Low	23 Å²	23	66.2 Å²	66.2	15%	0.149	36%	0.355	C	S	.	.			trans	-46.4	125.4	-174.2	-37.5	38.6	0	0	0	113.9	P1768 H1769 D1770 H1779 I1780	P1768-P1777 HydrophobicContact CB-CB 4.1Å; P1768-P1777 HydrophobicContact CG-CB 3.81Å; P1768-P1777 HydrophobicContact CG-CG 3.76Å; P1768-P1777 WeakPolarHBondContact O-CB 3.3Å; P1768-P1777 WeakPolarHBondContact O-CG 3.24Å; H1769-P1777 CarbonylContact O-C 3.49Å; H1769-P1777 WeakPolarHBondContact O-CA 3.49Å; H1769-P1777 WeakPolarHBondContact O-CB 3.41Å; D1770-P1777 WeakPolarHBondContact OD1-CA 3.32Å; P1777-H1779 CarbonylContact O-C 3.48Å; P1777-H1779 PolarHBondContact O-N 3.13Å; P1777-H1779 PolarHBondContact O-ND1 2.62Å; P1777-I1780 WeakPolarHBondContact O-CB 3.4Å; P1777-I1780 PolarHBondContact O-N 3.37Å
1778	D	65.5	Low	68.3	Low	39 Å²	39	62.9 Å²	62.9	21%	0.209	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-42.9	-40.1	-157.2	40.6	-102.5	0	0	0	115	H1769 D1770 S1771 I1776 I1780 D1781 D1784	H1769-D1778 WeakPolarHBondContact CB-OD1 3.44Å; H1769-D1778 IonicContact CD2-OD1 3.61Å; H1769-D1778 PolarHBondContact CD2-OD1 2.92Å; H1769-D1778 IonicContact CG-OD1 3.65Å; H1769-D1778 PolarHBondContact O-N 3.03Å; H1769-D1778 VanDerWaalsContact O-N 3.12Å; D1770-D1778 PolarHBondContact N-OD1 2.88Å; S1771-D1778 PolarHBondContact OG-OD1 2.63Å; I1776-D1778 PolarHBondContact O-N 3.34Å; D1778-I1780 PolarHBondContact O-N 3Å; D1778-D1781 PolarHBondContact O-N 3.15Å; D1778-D1781 VanDerWaalsContact O-N 3.08Å; D1778-D1784 HydrophobicContact CB-CB 4.14Å
1779	H	68.2	Low	68.5	Low	120 Å²	120	63 Å²	63	56%	0.556	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-54.3	-2.5	169.7	81	-70.3	0	0	0	117	P1777	P1777-H1779 CarbonylContact O-C 3.48Å; P1777-H1779 PolarHBondContact O-N 3.13Å; P1777-H1779 PolarHBondContact O-ND1 2.62Å
1780	I	72.2	Confident	69.4	Low	64 Å²	64	59.2 Å²	59.2	33%	0.328	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-117.8	-22.5	178.5	-58.5	-178.5	0	0	0	113.3	I1776 P1777 D1778	I1776-I1780 HydrophobicContact CG2-CB 3.85Å; I1776-I1780 HydrophobicContact CG2-CG2 3.66Å; P1777-I1780 WeakPolarHBondContact O-CB 3.4Å; P1777-I1780 PolarHBondContact O-N 3.37Å; D1778-I1780 PolarHBondContact O-N 3Å
1781	D	70.9	Confident	69.2	Low	40 Å²	40	58.7 Å²	58.7	21%	0.214	33%	0.329	C	S	.	.			trans	-82.9	-173.4	-171.8	-154.9	55.5	0	0	0	114.6	I1776 D1778 D1783	I1776-D1781 HydrophobicContact CB-CB 4.45Å; I1776-D1781 HydrophobicContact CG2-CB 3.86Å; D1778-D1781 PolarHBondContact O-N 3.15Å; D1778-D1781 VanDerWaalsContact O-N 3.08Å; D1781-D1783 PolarHBondContact OD2-N 3.5Å
1782	E	74.1	Confident	68.9	Low	146 Å²	146	64.2 Å²	64.2	68%	0.682	35%	0.354	S	S	*	.	S	Bend	trans	-130.9	6.7	174.9	-65.9	-165.8	154.5	0	0	112.3	P1790	E1782-P1790 VanDerWaalsContact O-CA 3.29Å; E1782-P1790 WeakPolarHBondContact O-CA 3.35Å; E1782-P1790 WeakPolarHBondContact O-CB 3.39Å; E1782-P1790 VanDerWaalsContact O-CG 3.25Å; E1782-P1790 WeakPolarHBondContact O-CG 3.25Å
1783	D	78.8	Confident	68.5	Low	42 Å²	42	71 Å²	71	23%	0.225	38%	0.378	C	S	.	.	S	Bend	trans	-156.1	55.1	-179	-114.2	-25.7	0	0	0	107.1	D1781 D1785 N1786 G1788 I1789 P1790	D1781-D1783 PolarHBondContact OD2-N 3.5Å; D1783-D1785 PolarHBondContact O-N 3.4Å; D1783-N1786 WeakPolarHBondContact O-CA 3.46Å; D1783-N1786 PolarHBondContact O-N 2.72Å; D1783-G1788 WeakPolarHBondContact OD1-CA 3.49Å; D1783-I1789 PolarHBondContact OD1-N 3.37Å; D1783-P1790 WeakPolarHBondContact OD1-CA 3.43Å; D1783-P1790 WeakPolarHBondContact OD1-CD 3.28Å; D1783-P1790 VanDerWaalsContact OD1-CG 3.25Å; D1783-P1790 WeakPolarHBondContact OD1-CG 3.49Å
1784	D	75	Confident	68.7	Low	28 Å²	28	67.3 Å²	67.3	15%	0.15	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-20.4	-164.9	-53.8	5.2	0	0	0	116.5	S1771 D1772 D1778	S1771-D1784 CarbonylContact C-O 3.57Å; S1771-D1784 VanDerWaalsContact C-O 3.29Å; S1771-D1784 WeakPolarHBondContact CB-O 3.28Å; D1772-D1784 PolarHBondContact N-O 3.1Å; D1778-D1784 HydrophobicContact CB-CB 4.14Å
1785	D	73	Confident	67.6	Low	36 Å²	36	66.1 Å²	66.1	19%	0.193	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	7	-174.9	43.7	46.1	0	0	0	112.6	D1783 D1787 S1797	D1783-D1785 PolarHBondContact O-N 3.4Å; D1785-D1787 PolarHBondContact O-N 3.28Å; D1785-D1787 PolarHBondContact OD1-N 2.97Å; D1785-S1797 PolarHBondContact OD2-OG 3.28Å
1786	N	63.1	Low	67.1	Low	101 Å²	101	69.2 Å²	69.2	54%	0.54	36%	0.36	S	S	.	.	S	Bend	trans	49.5	2.9	-173.8	-115.6	-45.3	0	0	0	118.3	D1772 D1783 G1788	D1772-N1786 HydrophobicContact CB-CB 4.01Å; D1772-N1786 PolarHBondContact OD2-ND2 3.02Å; D1783-N1786 WeakPolarHBondContact O-CA 3.46Å; D1783-N1786 PolarHBondContact O-N 2.72Å; N1786-G1788 PolarHBondContact O-N 2.96Å; N1786-G1788 VanDerWaalsContact O-N 3.12Å
1787	D	75.5	Confident	66.7	Low	97 Å²	97	68.2 Å²	68.2	52%	0.519	36%	0.358	S	S	.	.	S	Bend	trans	-61.9	-27.4	-174.6	117.4	-65.7	0	0	0	112.4	D1785 I1789	D1785-D1787 PolarHBondContact O-N 3.28Å; D1785-D1787 PolarHBondContact OD1-N 2.97Å; D1787-I1789 VanDerWaalsContact OD1-CA 3.3Å; D1787-I1789 WeakPolarHBondContact OD1-CA 3.24Å; D1787-I1789 WeakPolarHBondContact OD1-CB 3.46Å; D1787-I1789 WeakPolarHBondContact OD1-CG1 3.46Å; D1787-I1789 PolarHBondContact OD1-N 3.06Å; D1787-I1789 VanDerWaalsContact OD2-CD1 3.22Å; D1787-I1789 WeakPolarHBondContact OD2-CD1 3.06Å; D1787-I1789 WeakPolarHBondContact OD2-CG1 3.4Å
1788	G	72.3	Confident	65.9	Low	43 Å²	43	70.2 Å²	70.2	44%	0.443	37%	0.366	S	S	.	.	S	Bend	trans	100.9	15.4	-179.5	0	0	0	0	0	115	D1783 N1786 P1790	D1783-G1788 WeakPolarHBondContact OD1-CA 3.49Å; N1786-G1788 PolarHBondContact O-N 2.96Å; N1786-G1788 VanDerWaalsContact O-N 3.12Å; G1788-P1790 VanDerWaalsContact O-CD 3.26Å; G1788-P1790 WeakPolarHBondContact O-CD 3.45Å
1789	I	62.8	Low	65.1	Low	68 Å²	68	70.9 Å²	70.9	35%	0.349	37%	0.374	S	S	.	.	S	Bend	trans	-112.9	71.6	172.1	-50.5	172.5	0	0	0	109.4	D1783 D1787 D1791 R1793 D1794	D1783-I1789 PolarHBondContact OD1-N 3.37Å; D1787-I1789 VanDerWaalsContact OD1-CA 3.3Å; D1787-I1789 WeakPolarHBondContact OD1-CA 3.24Å; D1787-I1789 WeakPolarHBondContact OD1-CB 3.46Å; D1787-I1789 WeakPolarHBondContact OD1-CG1 3.46Å; D1787-I1789 PolarHBondContact OD1-N 3.06Å; D1787-I1789 VanDerWaalsContact OD2-CD1 3.22Å; D1787-I1789 WeakPolarHBondContact OD2-CD1 3.06Å; D1787-I1789 WeakPolarHBondContact OD2-CG1 3.4Å; I1789-D1791 PolarHBondContact O-N 2.96Å; I1789-D1791 VanDerWaalsContact O-N 3.1Å; I1789-R1793 HydrophobicContact CG2-CB 3.84Å; I1789-D1794 PolarHBondContact O-N 3.26Å
1790	P	72.9	Confident	64	Low	24 Å²	24	74.2 Å²	74.2	16%	0.156	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-37	112.9	-176.7	-41.6	38.7	0	0	0	116.3	E1782 D1783 G1788 Q1792 R1793	E1782-P1790 VanDerWaalsContact O-CA 3.29Å; E1782-P1790 WeakPolarHBondContact O-CA 3.35Å; E1782-P1790 WeakPolarHBondContact O-CB 3.39Å; E1782-P1790 VanDerWaalsContact O-CG 3.25Å; E1782-P1790 WeakPolarHBondContact O-CG 3.25Å; D1783-P1790 WeakPolarHBondContact OD1-CA 3.43Å; D1783-P1790 WeakPolarHBondContact OD1-CD 3.28Å; D1783-P1790 VanDerWaalsContact OD1-CG 3.25Å; D1783-P1790 WeakPolarHBondContact OD1-CG 3.49Å; G1788-P1790 VanDerWaalsContact O-CD 3.26Å; G1788-P1790 WeakPolarHBondContact O-CD 3.45Å; P1790-Q1792 CarbonylContact O-C 3.44Å; P1790-Q1792 WeakPolarHBondContact O-CA 3.48Å; P1790-Q1792 PolarHBondContact O-N 3.49Å; P1790-R1793 VanDerWaalsContact CB-NH2 3.27Å; P1790-R1793 WeakPolarHBondContact O-CB 3.33Å; P1790-R1793 PolarHBondContact O-N 2.82Å
1791	D	60.3	Low	62.5	Low	26 Å²	26	77.8 Å²	77.8	14%	0.139	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	7	-51	166	77.4	-54.1	0	0	0	116.9	I1789 R1793	I1789-D1791 PolarHBondContact O-N 2.96Å; I1789-D1791 VanDerWaalsContact O-N 3.1Å; D1791-R1793 PolarHBondContact O-N 2.87Å
1792	Q	64.9	Low	61.3	Low	128 Å²	128	80.7 Å²	80.7	60%	0.598	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	5.2	168.6	-72	155.7	73.3	0	0	115.3	P1790	P1790-Q1792 CarbonylContact O-C 3.44Å; P1790-Q1792 WeakPolarHBondContact O-CA 3.48Å; P1790-Q1792 PolarHBondContact O-N 3.49Å
1793	R	62	Low	59.7	Low	158 Å²	158	81.6 Å²	81.6	60%	0.596	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.5	-25.4	-175.2	-101.2	-179	-66.8	124.7	0.1	114.4	I1789 P1790 D1791	I1789-R1793 HydrophobicContact CG2-CB 3.84Å; P1790-R1793 VanDerWaalsContact CB-NH2 3.27Å; P1790-R1793 WeakPolarHBondContact O-CB 3.33Å; P1790-R1793 PolarHBondContact O-N 2.82Å; D1791-R1793 PolarHBondContact O-N 2.87Å
1794	D	57.9	Low	58	Low	21 Å²	21	89 Å²	89	11%	0.112	45%	0.45	C	S	.	.			trans	-59.3	151.5	169	-168.3	-96.8	0	0	0	110.4	I1789 D1796 S1797 M1798	I1789-D1794 PolarHBondContact O-N 3.26Å; D1794-D1796 WeakPolarHBondContact OD1-CA 3.42Å; D1794-D1796 WeakPolarHBondContact OD1-CB 3.42Å; D1794-D1796 PolarHBondContact OD1-N 2.74Å; D1794-S1797 WeakPolarHBondContact CB-OG 3.48Å; D1794-S1797 PolarHBondContact OD1-N 2.79Å; D1794-S1797 PolarHBondContact OD1-OG 2.75Å; D1794-M1798 WeakPolarHBondContact O-CB 3.48Å
1795	P	55	Low	56.2	Low	76 Å²	76	93.6 Å²	93.6	49%	0.494	47%	0.47	S	S	.	.	S	Bend	trans	-79.4	-25.8	175.6	-4.1	22.4	0	0	0	113.4	M1798	P1795-M1798 VanDerWaalsContact O-CB 3.24Å; P1795-M1798 WeakPolarHBondContact O-CB 3.15Å
1796	D	53.8	Low	54.9	Low	118 Å²	118	97.2 Å²	97.2	63%	0.631	48%	0.484	S	S	*	.	S	Bend	trans	-114.9	-46.3	-150	-57.7	-52.9	0	0	0	110.5	D1794 M1798 S1799	D1794-D1796 WeakPolarHBondContact OD1-CA 3.42Å; D1794-D1796 WeakPolarHBondContact OD1-CB 3.42Å; D1794-D1796 PolarHBondContact OD1-N 2.74Å; D1796-M1798 PolarHBondContact O-N 3.04Å; D1796-S1799 WeakPolarHBondContact O-CB 3.4Å; D1796-S1799 PolarHBondContact O-N 3.26Å
1797	S	56.9	Low	54	Low	34 Å²	34	97.6 Å²	97.6	24%	0.238	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-61.9	-12.8	158.2	56.2	0	0	0	0	112	D1785 D1794 S1799	D1785-S1797 PolarHBondContact OD2-OG 3.28Å; D1794-S1797 WeakPolarHBondContact CB-OG 3.48Å; D1794-S1797 PolarHBondContact OD1-N 2.79Å; D1794-S1797 PolarHBondContact OD1-OG 2.75Å; S1797-S1799 PolarHBondContact O-N 2.8Å
1798	M	48.1	Very low	52.3	Low	65 Å²	65	99.5 Å²	99.5	32%	0.32	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-69.5	-11.1	167.9	-129.5	-149.5	58.5	0	0	115	D1794 P1795 D1796 F1800 L1801 L1802	D1794-M1798 WeakPolarHBondContact O-CB 3.48Å; P1795-M1798 VanDerWaalsContact O-CB 3.24Å; P1795-M1798 WeakPolarHBondContact O-CB 3.15Å; D1796-M1798 PolarHBondContact O-N 3.04Å; M1798-F1800 VanDerWaalsContact C-N 3.32Å; M1798-F1800 PolarHBondContact O-N 2.94Å; M1798-L1801 PolarHBondContact O-N 3Å; M1798-L1802 HydrophobicContact CE-CD1 4.37Å
1799	S	49.3	Very low	51	Low	54 Å²	54	101.8 Å²	101.8	38%	0.378	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-60.1	-35.6	-174.3	-173.6	0	0	0	0	113.6	D1796 S1797 L1801 L1802 Y1803	D1796-S1799 WeakPolarHBondContact O-CB 3.4Å; D1796-S1799 PolarHBondContact O-N 3.26Å; S1797-S1799 PolarHBondContact O-N 2.8Å; S1799-L1801 PolarHBondContact O-N 2.86Å; S1799-L1802 PolarHBondContact O-N 3.16Å; S1799-Y1803 PolarHBondContact O-N 3.04Å; S1799-Y1803 WeakPolarHBondContact OG-CD2 3.46Å
1800	F	45	Very low	50.4	Low	189 Å²	189	102.5 Å²	102.5	83%	0.829	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-54.7	-27.9	179.5	-167.8	-100.3	0	0	0	113.7	M1798	M1798-F1800 VanDerWaalsContact C-N 3.32Å; M1798-F1800 PolarHBondContact O-N 2.94Å
1801	L	41.6	Very low	49.3	Very low	139 Å²	139	105 Å²	105	73%	0.728	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-80.8	-14.1	178.3	-68.3	179.2	0	0	0	114.6	M1798 S1799	M1798-L1801 PolarHBondContact O-N 3Å; S1799-L1801 PolarHBondContact O-N 2.86Å
1802	L	44.3	Very low	48.6	Very low	101 Å²	101	105.8 Å²	105.8	53%	0.529	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-26.1	-179.5	-71.2	172.3	0	0	0	113.6	M1798 S1799 K1804 H1805	M1798-L1802 HydrophobicContact CE-CD1 4.37Å; S1799-L1802 PolarHBondContact O-N 3.16Å; L1802-K1804 PolarHBondContact O-N 2.93Å; L1802-H1805 PolarHBondContact O-N 3.01Å; L1802-H1805 VanDerWaalsContact O-N 3.1Å
1803	Y	41	Very low	47.8	Very low	165 Å²	165	103.4 Å²	103.4	65%	0.647	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-50.7	-26.3	-173.4	-120	-108.9	0	0	0	115.9	S1799 H1805	S1799-Y1803 PolarHBondContact O-N 3.04Å; S1799-Y1803 WeakPolarHBondContact OG-CD2 3.46Å; Y1803-H1805 PolarHBondContact O-N 2.88Å
1804	K	43.9	Very low	47	Very low	198 Å²	198	99 Å²	99	86%	0.861	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-68	2.8	178.1	-124.5	166.3	-150.3	68.5	0	115.4	L1802	L1802-K1804 PolarHBondContact O-N 2.93Å
1805	H	36.8	Very low	47.2	Very low	125 Å²	125	104.1 Å²	104.1	58%	0.579	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-157.2	31.5	-176.2	-113.7	-51.5	0	0	0	117.3	L1802 Y1803 R1807 F1808	L1802-H1805 PolarHBondContact O-N 3.01Å; L1802-H1805 VanDerWaalsContact O-N 3.1Å; Y1803-H1805 PolarHBondContact O-N 2.88Å; H1805-R1807 PolarHBondContact O-N 3.11Å; H1805-F1808 HydrophobicContact CB-CB 4.33Å; H1805-F1808 WeakPolarHBondContact O-CB 3.37Å; H1805-F1808 PolarHBondContact O-N 3.05Å
1806	K	44.8	Very low	47.6	Very low	111 Å²	111	103.6 Å²	103.6	48%	0.483	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-36	-55.2	179	-161.5	168.5	178.8	178.1	0	111.1	D897 F1808 L1809	D897-K1806 IonicContact OD1-NZ 3.73Å; D897-K1806 PolarHBondContact OD1-NZ 3.3Å; K1806-F1808 PolarHBondContact O-N 2.81Å; K1806-L1809 WeakPolarHBondContact O-CB 3.1Å; K1806-L1809 PolarHBondContact O-N 3.02Å
1807	R	45.3	Very low	47.7	Very low	109 Å²	109	100 Å²	100	41%	0.411	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-60.2	19.9	174.9	-50.8	-172.7	86.1	179.1	4.5	118.6	D900 D901 H1805 E1810	D900-R1807 IonicContact OD1-CZ 2.82Å; D900-R1807 IonicContact OD1-NE 2.76Å; D900-R1807 PolarHBondContact OD1-NE 2.96Å; D900-R1807 VanDerWaalsContact OD1-NE 3.13Å; D900-R1807 IonicContact OD1-NH2 3.69Å; D900-R1807 PolarHBondContact OD1-NH2 3.46Å; D900-R1807 IonicContact OD2-NH2 3.22Å; D901-R1807 PolarHBondContact O-NH2 3.3Å; D901-R1807 IonicContact OD2-CZ 2.6Å; D901-R1807 IonicContact OD2-NH1 3.72Å; D901-R1807 PolarHBondContact OD2-NH1 3.46Å; D901-R1807 IonicContact OD2-NH2 2.97Å; D901-R1807 PolarHBondContact OD2-NH2 2.67Å; H1805-R1807 PolarHBondContact O-N 3.11Å; R1807-E1810 WeakPolarHBondContact CA-OE1 3.29Å; R1807-E1810 VanDerWaalsContact CA-OE2 3.26Å; R1807-E1810 WeakPolarHBondContact CA-OE2 3.34Å; R1807-E1810 PolarHBondContact N-OE1 2.87Å; R1807-E1810 VanDerWaalsContact N-OE1 3.16Å
1808	F	39.3	Very low	47.6	Very low	138 Å²	138	105 Å²	105	61%	0.605	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-124	-10.7	170.1	-145	-84.9	0	0	0	112.2	H1805 K1806 I1812	H1805-F1808 HydrophobicContact CB-CB 4.33Å; H1805-F1808 WeakPolarHBondContact O-CB 3.37Å; H1805-F1808 PolarHBondContact O-N 3.05Å; K1806-F1808 PolarHBondContact O-N 2.81Å; F1808-I1812 WeakPolarHBondContact O-CG1 3.1Å
1809	L	45.1	Very low	48.2	Very low	91 Å²	91	107.5 Å²	107.5	48%	0.476	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-42.7	179.6	-82.5	158.3	0	0	0	112.5	K1806 A1811 I1812	K1806-L1809 WeakPolarHBondContact O-CB 3.1Å; K1806-L1809 PolarHBondContact O-N 3.02Å; L1809-A1811 PolarHBondContact O-N 2.68Å; L1809-A1811 VanDerWaalsContact O-N 3.11Å; L1809-I1812 HydrophobicContact CD2-CD1 4.31Å; L1809-I1812 VanDerWaalsContact O-CB 3.29Å; L1809-I1812 WeakPolarHBondContact O-CB 3.03Å; L1809-I1812 PolarHBondContact O-N 2.81Å
1810	E	51.1	Low	48.6	Very low	82 Å²	82	110 Å²	110	38%	0.383	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.9	175.9	-27.2	79.5	-160.4	0	0	111.2	R1807 I1812	R1807-E1810 WeakPolarHBondContact CA-OE1 3.29Å; R1807-E1810 VanDerWaalsContact CA-OE2 3.26Å; R1807-E1810 WeakPolarHBondContact CA-OE2 3.34Å; R1807-E1810 PolarHBondContact N-OE1 2.87Å; R1807-E1810 VanDerWaalsContact N-OE1 3.16Å; E1810-I1812 PolarHBondContact O-N 3.21Å; E1810-I1812 VanDerWaalsContact O-N 3.12Å
1811	A	49.4	Very low	49	Very low	78 Å²	78	101.7 Å²	101.7	65%	0.645	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-3.2	172.5	0	0	0	0	0	115.2	L1809 P1813	L1809-A1811 PolarHBondContact O-N 2.68Å; L1809-A1811 VanDerWaalsContact O-N 3.11Å; A1811-P1813 WeakPolarHBondContact O-CD 3.16Å
1812	I	44.1	Very low	49.8	Very low	41 Å²	41	101.6 Å²	101.6	21%	0.21	50%	0.504	C	S	.	.	S	Bend	trans	-109.6	97.4	-175.6	-56.6	-176.1	0	0	0	110.2	F1808 L1809 E1810 A1814 I1816 A1817	F1808-I1812 WeakPolarHBondContact O-CG1 3.1Å; L1809-I1812 HydrophobicContact CD2-CD1 4.31Å; L1809-I1812 VanDerWaalsContact O-CB 3.29Å; L1809-I1812 WeakPolarHBondContact O-CB 3.03Å; L1809-I1812 PolarHBondContact O-N 2.81Å; E1810-I1812 PolarHBondContact O-N 3.21Å; E1810-I1812 VanDerWaalsContact O-N 3.12Å; I1812-A1814 PolarHBondContact O-N 2.94Å; I1812-I1816 HydrophobicContact CG2-CB 3.59Å; I1812-I1816 HydrophobicContact CG2-CG2 3.65Å; I1812-A1817 HydrophobicContact CG2-CB 4.12Å
1813	P	49.3	Very low	50.8	Low	78 Å²	78	103.5 Å²	103.5	51%	0.506	51%	0.514	S	S	.	.			trans	-61.6	125.5	-177.9	-20.1	31	0	0	0	111	A1811 H1815 I1816	A1811-P1813 WeakPolarHBondContact O-CD 3.16Å; P1813-H1815 CarbonylContact O-C 3.44Å; P1813-H1815 PolarHBondContact O-N 2.83Å; P1813-H1815 PolarHBondContact O-ND1 3.43Å; P1813-I1816 PolarHBondContact O-N 2.97Å
1814	A	45.1	Very low	51.4	Low	67 Å²	67	102.2 Å²	102.2	55%	0.554	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-33.4	-35.5	-166.6	0	0	0	0	0	118	I1812 I1816 A1817 R1818	I1812-A1814 PolarHBondContact O-N 2.94Å; A1814-I1816 PolarHBondContact O-N 3.19Å; A1814-A1817 PolarHBondContact O-N 3.44Å; A1814-R1818 WeakPolarHBondContact O-CB 3.34Å; A1814-R1818 PolarHBondContact O-N 2.75Å
1815	H	61.6	Low	51.6	Low	128 Å²	128	100.1 Å²	100.1	59%	0.593	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-13.3	172.4	89.5	-62.6	0	0	0	115.6	P1813 Q1819	P1813-H1815 CarbonylContact O-C 3.44Å; P1813-H1815 PolarHBondContact O-N 2.83Å; P1813-H1815 PolarHBondContact O-ND1 3.43Å; H1815-Q1819 WeakPolarHBondContact O-CB 3.43Å; H1815-Q1819 PolarHBondContact O-NE2 3.21Å
1816	I	64.7	Low	52	Low	65 Å²	65	97.3 Å²	97.3	33%	0.333	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-44.5	171.3	-55.7	-172.1	0	0	0	109.6	I1812 P1813 A1814 R1818 Q1819 E1820	I1812-I1816 HydrophobicContact CG2-CB 3.59Å; I1812-I1816 HydrophobicContact CG2-CG2 3.65Å; P1813-I1816 PolarHBondContact O-N 2.97Å; A1814-I1816 PolarHBondContact O-N 3.19Å; I1816-R1818 PolarHBondContact O-N 3.2Å; I1816-Q1819 CarbonylContact O-C 3.5Å; I1816-Q1819 VanDerWaalsContact O-CA 3.27Å; I1816-Q1819 WeakPolarHBondContact O-CA 3.34Å; I1816-Q1819 WeakPolarHBondContact O-CB 3.26Å; I1816-Q1819 PolarHBondContact O-N 2.96Å; I1816-E1820 HydrophobicContact CG2-CG 4.36Å; I1816-E1820 PolarHBondContact O-N 2.71Å
1817	A	54.9	Low	52.4	Low	41 Å²	41	99.4 Å²	99.4	34%	0.339	52%	0.524	S	S	.	.	H	α-helix	trans	-53.8	-54.8	172.3	0	0	0	0	0	110.9	I1812 A1814 Q1819 E1820 A1821	I1812-A1817 HydrophobicContact CG2-CB 4.12Å; A1814-A1817 PolarHBondContact O-N 3.44Å; A1817-Q1819 PolarHBondContact O-N 2.95Å; A1817-E1820 PolarHBondContact O-N 3.27Å; A1817-A1821 PolarHBondContact O-N 3.27Å
1818	R	54.8	Low	52.8	Low	141 Å²	141	99.4 Å²	99.4	53%	0.532	53%	0.531	S	S	.	.	H	α-helix	trans	-59.9	-16.2	171.7	-65.9	-169.5	-174.3	-174.2	6.9	114.1	A1814 I1816 N1822 P1831	A1814-R1818 WeakPolarHBondContact O-CB 3.34Å; A1814-R1818 PolarHBondContact O-N 2.75Å; I1816-R1818 PolarHBondContact O-N 3.2Å; R1818-N1822 VanDerWaalsContact O-CB 3.27Å; R1818-N1822 WeakPolarHBondContact O-CB 3.03Å; R1818-N1822 PolarHBondContact O-N 2.85Å; R1818-N1822 PolarHBondContact O-ND2 2.84Å; R1818-P1831 VanDerWaalsContact NH1-CG 3.31Å
1819	Q	61.3	Low	53.5	Low	116 Å²	116	96.1 Å²	96.1	54%	0.542	54%	0.537	S	S	.	.	H	α-helix	trans	-88.1	-26.9	173.7	-117.2	172.9	113.6	0	0	113.3	H1815 I1816 A1817 L1823	H1815-Q1819 WeakPolarHBondContact O-CB 3.43Å; H1815-Q1819 PolarHBondContact O-NE2 3.21Å; I1816-Q1819 CarbonylContact O-C 3.5Å; I1816-Q1819 VanDerWaalsContact O-CA 3.27Å; I1816-Q1819 WeakPolarHBondContact O-CA 3.34Å; I1816-Q1819 WeakPolarHBondContact O-CB 3.26Å; I1816-Q1819 PolarHBondContact O-N 2.96Å; A1817-Q1819 PolarHBondContact O-N 2.95Å; Q1819-L1823 WeakPolarHBondContact O-CD1 3.33Å; Q1819-L1823 WeakPolarHBondContact O-CG 3.24Å
1820	E	57.1	Low	54.2	Low	106 Å²	106	97 Å²	97	50%	0.495	54%	0.541	S	S	.	.	H	α-helix	trans	-93.2	-32.3	178.4	-58.3	-156.2	141.4	0	0	111.4	I1816 A1817 N1822 L1823 L1824	I1816-E1820 HydrophobicContact CG2-CG 4.36Å; I1816-E1820 PolarHBondContact O-N 2.71Å; A1817-E1820 PolarHBondContact O-N 3.27Å; E1820-N1822 PolarHBondContact O-N 3.47Å; E1820-L1823 CarbonylContact O-C 3.45Å; E1820-L1823 WeakPolarHBondContact O-CA 3.45Å; E1820-L1823 WeakPolarHBondContact O-CB 3.22Å; E1820-L1823 PolarHBondContact O-N 2.75Å; E1820-L1824 WeakPolarHBondContact O-CG 3.17Å; E1820-L1824 PolarHBondContact O-N 3.27Å
1821	A	52.6	Low	54.5	Low	15 Å²	15	96.5 Å²	96.5	12%	0.124	55%	0.545	C	S	.	.	H	α-helix	trans	-57.8	-45.1	161.1	0	0	0	0	0	111.8	A1817 L1823 L1824 N1825 L1828	A1817-A1821 PolarHBondContact O-N 3.27Å; A1821-L1823 PolarHBondContact O-N 2.92Å; A1821-L1824 PolarHBondContact O-N 3.39Å; A1821-N1825 PolarHBondContact O-N 2.66Å; A1821-L1828 HydrophobicContact CB-CD1 3.48Å; A1821-L1828 VanDerWaalsContact CB-CD1 3.48Å; A1821-L1828 HydrophobicContact CB-CG 4.27Å
1822	N	58.9	Low	54.9	Low	137 Å²	137	96.1 Å²	96.1	73%	0.733	53%	0.532	S	S	*	.	H	α-helix	trans	-64.5	-2.9	170.1	-93.6	-102.8	0	0	0	114.6	R1818 E1820	R1818-N1822 VanDerWaalsContact O-CB 3.27Å; R1818-N1822 WeakPolarHBondContact O-CB 3.03Å; R1818-N1822 PolarHBondContact O-N 2.85Å; R1818-N1822 PolarHBondContact O-ND2 2.84Å; E1820-N1822 PolarHBondContact O-N 3.47Å
1823	L	64.9	Low	56.1	Low	141 Å²	141	95.9 Å²	95.9	74%	0.738	53%	0.532	S	S	*	.	H	α-helix	trans	-107.1	-25.4	170.3	-74	167.1	0	0	0	113.1	Q1819 E1820 A1821	Q1819-L1823 WeakPolarHBondContact O-CD1 3.33Å; Q1819-L1823 WeakPolarHBondContact O-CG 3.24Å; E1820-L1823 CarbonylContact O-C 3.45Å; E1820-L1823 WeakPolarHBondContact O-CA 3.45Å; E1820-L1823 WeakPolarHBondContact O-CB 3.22Å; E1820-L1823 PolarHBondContact O-N 2.75Å; A1821-L1823 PolarHBondContact O-N 2.92Å
1824	L	55.1	Low	56.7	Low	138 Å²	138	95.7 Å²	95.7	72%	0.723	52%	0.523	S	S	*	.	H	α-helix	trans	-83.8	-25.3	174	-67.5	169.9	0	0	0	112.5	E1820 A1821 V1826	E1820-L1824 WeakPolarHBondContact O-CG 3.17Å; E1820-L1824 PolarHBondContact O-N 3.27Å; A1821-L1824 PolarHBondContact O-N 3.39Å; L1824-V1826 HydrophobicContact CB-CG2 4.08Å
1825	N	47.8	Very low	57.6	Low	154 Å²	154	93.1 Å²	93.1	82%	0.824	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	30.7	179	-150.2	117.2	0	0	0	114	A1821	A1821-N1825 PolarHBondContact O-N 2.66Å
1826	V	45.1	Very low	57.4	Low	67 Å²	67	92 Å²	92	41%	0.406	51%	0.505	S	S	.	.			trans	-87.3	143.5	167.2	-165.2	0	0	0	0	108.1	L1824	L1824-V1826 HydrophobicContact CB-CG2 4.08Å
1827	D	53.3	Low	57.5	Low	154 Å²	154	92.3 Å²	92.3	82%	0.824	51%	0.508	S	S	*	.			trans	-87.8	162.6	167.7	-100.9	-42.1	0	0	0	109.7
1828	L	52.8	Low	58.2	Low	110 Å²	110	92.7 Å²	92.7	58%	0.576	52%	0.516	S	S	*	.			trans	-150.2	61.9	-171.5	-67.6	176	0	0	0	110.4	A1821	A1821-L1828 HydrophobicContact CB-CD1 3.48Å; A1821-L1828 VanDerWaalsContact CB-CD1 3.48Å; A1821-L1828 HydrophobicContact CB-CG 4.27Å
1829	G	54.3	Low	58.7	Low	69 Å²	69	89.6 Å²	89.6	71%	0.711	51%	0.509	S	S	*	.			trans	60.5	175.7	-174.3	0	0	0	0	0	115.5
1830	D	60.1	Low	59.2	Low	108 Å²	108	85.3 Å²	85.3	58%	0.578	49%	0.491	S	S	*	.			trans	-89.5	118.7	143.9	-143.9	-23.9	0	0	0	105	N1832 D1833	D1830-N1832 PolarHBondContact O-N 3.35Å; D1830-D1833 PolarHBondContact O-N 2.73Å
1831	P	57.2	Low	59.5	Low	72 Å²	72	83.3 Å²	83.3	47%	0.468	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	61.4	-173.1	32.3	-36	0	0	0	109.9	R1818	R1818-P1831 VanDerWaalsContact NH1-CG 3.31Å
1832	N	58.8	Low	60.4	Low	70 Å²	70	89.1 Å²	89.1	37%	0.374	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-178.8	4.5	-162.3	-143.8	123.8	0	0	0	111.2	D1830 P1840 D1841	D1830-N1832 PolarHBondContact O-N 3.35Å; N1832-P1840 CarbonylContact O-C 3.57Å; N1832-P1840 VanDerWaalsContact O-C 3.24Å; N1832-P1840 WeakPolarHBondContact O-CA 3.25Å; N1832-P1840 WeakPolarHBondContact O-CB 3.48Å; N1832-D1841 WeakPolarHBondContact CA-OD1 3.44Å; N1832-D1841 PolarHBondContact ND2-OD1 2.86Å; N1832-D1841 PolarHBondContact ND2-OD2 3.29Å; N1832-D1841 VanDerWaalsContact O-CG 3.23Å; N1832-D1841 PolarHBondContact O-N 3Å
1833	D	68.1	Low	61.1	Low	37 Å²	37	87.2 Å²	87.2	20%	0.198	50%	0.497	C	S	.	.			trans	-82	155.4	136.5	-49.1	-67.1	0	0	0	106.9	D1830 G1838 P1840	D1830-D1833 PolarHBondContact O-N 2.73Å; D1833-G1838 WeakPolarHBondContact OD1-CA 3.2Å; D1833-P1840 WeakPolarHBondContact OD1-CA 3.38Å; D1833-P1840 WeakPolarHBondContact OD1-CB 3.35Å; D1833-P1840 WeakPolarHBondContact OD1-CD 3.16Å; D1833-P1840 VanDerWaalsContact OD1-N 3.07Å
1834	K	63.1	Low	61	Low	73 Å²	73	81.1 Å²	81.1	32%	0.317	47%	0.465	S	S	.	.	S	Bend	trans	-124.1	-74.1	-179.4	-157.2	-159.1	120.4	-59.7	0	108.6	D892 D893 C1836 L1847	D892-K1834 IonicContact OD1-NZ 2.87Å; D892-K1834 PolarHBondContact OD1-NZ 2.79Å; D892-K1834 IonicContact OD2-NZ 2.71Å; D892-K1834 PolarHBondContact OD2-NZ 3.48Å; D893-K1834 WeakPolarHBondContact OD2-CE 3.3Å; D893-K1834 WeakPolarHBondContact OD2-CG 3.24Å; D893-K1834 IonicContact OD2-NZ 2.74Å; D893-K1834 PolarHBondContact OD2-NZ 3.39Å; K1834-C1836 PolarHBondContact O-N 3.35Å; K1834-C1836 PolarHBondContact O-SG 3.13Å; K1834-C1836 VanDerWaalsContact O-SG 3.33Å; K1834-L1847 WeakPolarHBondContact CE-O 3.41Å; K1834-L1847 PolarHBondContact NZ-O 2.7Å
1835	D	63.6	Low	61.7	Low	14 Å²	14	77.6 Å²	77.6	8%	0.075	45%	0.447	C	S	.	.	S	Bend	trans	-25.5	-24	143.7	52.7	10.1	0	0	0	118.7	D1837 N1849	D1835-D1837 PolarHBondContact O-N 3.06Å; D1835-N1849 HydrophobicContact CB-CB 4.37Å
1836	C	56.9	Low	62.6	Low	103 Å²	103	72 Å²	72	70%	0.696	42%	0.417	S	S	*	.			trans	59.8	-2.8	-177.2	-70.4	0	0	0	0	117.6	K1834 G1838	K1834-C1836 PolarHBondContact O-N 3.35Å; K1834-C1836 PolarHBondContact O-SG 3.13Å; K1834-C1836 VanDerWaalsContact O-SG 3.33Å; C1836-G1838 PolarHBondContact O-N 3.36Å
1837	D	68	Low	63.8	Low	73 Å²	73	71.4 Å²	71.4	39%	0.39	41%	0.411	S	S	.	.	S	Bend	trans	-55	-21.1	179.4	102.3	-52.9	0	0	0	114.9	D1835 I1839	D1835-D1837 PolarHBondContact O-N 3.06Å; D1837-I1839 WeakPolarHBondContact OD1-CA 3.38Å; D1837-I1839 VanDerWaalsContact OD1-CB 3.23Å; D1837-I1839 WeakPolarHBondContact OD1-CB 3.49Å; D1837-I1839 PolarHBondContact OD1-N 2.95Å; D1837-I1839 WeakPolarHBondContact OD2-CB 3.26Å; D1837-I1839 WeakPolarHBondContact OD2-CD1 3.46Å; D1837-I1839 WeakPolarHBondContact OD2-CG1 3.12Å
1838	G	68.5	Low	64.5	Low	49 Å²	49	66.6 Å²	66.6	51%	0.505	39%	0.385	S	S	.	.	S	Bend	trans	93.6	16.4	-179.9	0	0	0	0	0	115.5	D1833 C1836 P1840	D1833-G1838 WeakPolarHBondContact OD1-CA 3.2Å; C1836-G1838 PolarHBondContact O-N 3.36Å; G1838-P1840 VanDerWaalsContact C-CD 3.4Å; G1838-P1840 VanDerWaalsContact O-CD 3.23Å; G1838-P1840 WeakPolarHBondContact O-CD 3.4Å
1839	I	65.7	Low	64.9	Low	76 Å²	76	63.1 Å²	63.1	39%	0.39	37%	0.368	S	S	.	.	S	Bend	trans	-111.4	64.2	174.5	-54.5	179.7	0	0	0	109.5	D1837 D1841 I1843 D1844	D1837-I1839 WeakPolarHBondContact OD1-CA 3.38Å; D1837-I1839 VanDerWaalsContact OD1-CB 3.23Å; D1837-I1839 WeakPolarHBondContact OD1-CB 3.49Å; D1837-I1839 PolarHBondContact OD1-N 2.95Å; D1837-I1839 WeakPolarHBondContact OD2-CB 3.26Å; D1837-I1839 WeakPolarHBondContact OD2-CD1 3.46Å; D1837-I1839 WeakPolarHBondContact OD2-CG1 3.12Å; I1839-D1841 PolarHBondContact O-N 3.18Å; I1839-I1843 HydrophobicContact CG2-CB 3.88Å; I1839-I1843 HydrophobicContact CG2-CG2 3.53Å; I1839-D1844 HydrophobicContact CB-CB 4.38Å; I1839-D1844 HydrophobicContact CG2-CB 4.16Å; I1839-D1844 WeakPolarHBondContact O-CB 3.5Å; I1839-D1844 PolarHBondContact O-N 2.84Å
1840	P	70.7	Confident	65.6	Low	26 Å²	26	60.1 Å²	60.1	17%	0.169	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	131.8	-158.5	15.8	-31.2	0	0	0	115.1	N1832 D1833 G1838 H1842 I1843	N1832-P1840 CarbonylContact O-C 3.57Å; N1832-P1840 VanDerWaalsContact O-C 3.24Å; N1832-P1840 WeakPolarHBondContact O-CA 3.25Å; N1832-P1840 WeakPolarHBondContact O-CB 3.48Å; D1833-P1840 WeakPolarHBondContact OD1-CA 3.38Å; D1833-P1840 WeakPolarHBondContact OD1-CB 3.35Å; D1833-P1840 WeakPolarHBondContact OD1-CD 3.16Å; D1833-P1840 VanDerWaalsContact OD1-N 3.07Å; G1838-P1840 VanDerWaalsContact C-CD 3.4Å; G1838-P1840 VanDerWaalsContact O-CD 3.23Å; G1838-P1840 WeakPolarHBondContact O-CD 3.4Å; P1840-H1842 PolarHBondContact O-N 2.83Å; P1840-H1842 PolarHBondContact O-ND1 3.34Å; P1840-I1843 PolarHBondContact O-N 2.99Å
1841	D	64	Low	66	Low	63 Å²	63	56.8 Å²	56.8	34%	0.337	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-23.1	15	-173.1	72.2	-129.1	0	0	0	121.8	N1832 I1839 L1847	N1832-D1841 WeakPolarHBondContact CA-OD1 3.44Å; N1832-D1841 PolarHBondContact ND2-OD1 2.86Å; N1832-D1841 PolarHBondContact ND2-OD2 3.29Å; N1832-D1841 VanDerWaalsContact O-CG 3.23Å; N1832-D1841 PolarHBondContact O-N 3Å; I1839-D1841 PolarHBondContact O-N 3.18Å; D1841-L1847 HydrophobicContact CB-CD2 3.58Å
1842	H	72.1	Confident	66.1	Low	138 Å²	138	55.9 Å²	55.9	64%	0.639	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.5	7.7	178	77	-64.9	0	0	0	112.2	P1840	P1840-H1842 PolarHBondContact O-N 2.83Å; P1840-H1842 PolarHBondContact O-ND1 3.34Å
1843	I	73.6	Confident	66.3	Low	97 Å²	97	56 Å²	56	50%	0.497	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-43.4	-178.7	-61	178.9	0	0	0	109.7	I1839 P1840 N1845	I1839-I1843 HydrophobicContact CG2-CB 3.88Å; I1839-I1843 HydrophobicContact CG2-CG2 3.53Å; P1840-I1843 PolarHBondContact O-N 2.99Å; I1843-N1845 PolarHBondContact O-ND2 3.27Å; I1843-N1845 VanDerWaalsContact O-ND2 3.09Å
1844	D	62.7	Low	65.8	Low	13 Å²	13	56.3 Å²	56.3	7%	0.07	32%	0.316	C	S	.	.			trans	-51.6	162.4	161.6	169.9	54	0	0	0	112.3	I1839 D1846 L1847	I1839-D1844 HydrophobicContact CB-CB 4.38Å; I1839-D1844 HydrophobicContact CG2-CB 4.16Å; I1839-D1844 WeakPolarHBondContact O-CB 3.5Å; I1839-D1844 PolarHBondContact O-N 2.84Å; D1844-D1846 PolarHBondContact OD1-N 2.73Å; D1844-D1846 PolarHBondContact OD2-N 2.95Å; D1844-L1847 VanDerWaalsContact OD2-CA 3.29Å; D1844-L1847 WeakPolarHBondContact OD2-CA 3.48Å; D1844-L1847 WeakPolarHBondContact OD2-CG 3.21Å; D1844-L1847 PolarHBondContact OD2-N 2.81Å
1845	N	68.9	Low	65.8	Low	63 Å²	63	57.4 Å²	57.4	34%	0.337	32%	0.318	S	S	.	.	S	Bend	trans	-140.8	-1.5	-178.2	-43.7	-102.6	0	0	0	112.9	I1843 I1853 D1854 R1855	I1843-N1845 PolarHBondContact O-ND2 3.27Å; I1843-N1845 VanDerWaalsContact O-ND2 3.09Å; N1845-I1853 HydrophobicContact CB-CG2 4.08Å; N1845-I1853 CarbonylContact O-C 3.46Å; N1845-I1853 WeakPolarHBondContact O-CA 3.15Å; N1845-I1853 WeakPolarHBondContact O-CG2 3.32Å; N1845-D1854 WeakPolarHBondContact CA-OD1 2.86Å; N1845-D1854 WeakPolarHBondContact O-CB 3.42Å; N1845-D1854 VanDerWaalsContact O-CG 3.24Å; N1845-D1854 PolarHBondContact O-N 2.85Å; N1845-D1854 VanDerWaalsContact O-OD1 3.12Å; N1845-R1855 PolarHBondContact OD1-NH1 3.4Å; N1845-R1855 PolarHBondContact OD1-NH2 3.26Å
1846	D	66.6	Low	65.8	Low	38 Å²	38	60.7 Å²	60.7	20%	0.203	34%	0.339	C	S	.	.			trans	-128.5	76.3	-177.1	-42.9	-50.2	0	0	0	101.1	D1844 D1848 N1849 I1853	D1844-D1846 PolarHBondContact OD1-N 2.73Å; D1844-D1846 PolarHBondContact OD2-N 2.95Å; D1846-D1848 PolarHBondContact O-N 2.94Å; D1846-N1849 VanDerWaalsContact C-N 3.32Å; D1846-N1849 WeakPolarHBondContact CB-O 3.5Å; D1846-N1849 WeakPolarHBondContact O-CA 3.47Å; D1846-N1849 PolarHBondContact O-N 3.02Å; D1846-I1853 WeakPolarHBondContact OD1-CA 3.33Å; D1846-I1853 WeakPolarHBondContact OD1-CB 3.5Å; D1846-I1853 WeakPolarHBondContact OD1-CG1 3.35Å; D1846-I1853 PolarHBondContact OD1-N 3.18Å
1847	L	70.6	Confident	65.8	Low	53 Å²	53	60.9 Å²	60.9	28%	0.277	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-8.3	-161.4	-92.9	173.7	0	0	0	114.3	K1834 D1841 D1844	K1834-L1847 WeakPolarHBondContact CE-O 3.41Å; K1834-L1847 PolarHBondContact NZ-O 2.7Å; D1841-L1847 HydrophobicContact CB-CD2 3.58Å; D1844-L1847 VanDerWaalsContact OD2-CA 3.29Å; D1844-L1847 WeakPolarHBondContact OD2-CA 3.48Å; D1844-L1847 WeakPolarHBondContact OD2-CG 3.21Å; D1844-L1847 PolarHBondContact OD2-N 2.81Å
1848	D	68.5	Low	65.9	Low	53 Å²	53	59.6 Å²	59.6	28%	0.283	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	4.3	180	1.5	51.5	0	0	0	107.5	D891 D892 D1846 D1850	D891-D1848 WeakPolarHBondContact CB-O 3.35Å; D892-D1848 WeakPolarHBondContact CA-O 3.38Å; D892-D1848 HydrophobicContact CB-CB 4.17Å; D892-D1848 WeakPolarHBondContact CB-O 3.33Å; D892-D1848 WeakPolarHBondContact OD1-CA 3.3Å; D892-D1848 WeakPolarHBondContact OD2-CA 3.35Å; D1846-D1848 PolarHBondContact O-N 2.94Å; D1848-D1850 HydrophobicContact CB-CB 3.92Å; D1848-D1850 PolarHBondContact O-N 2.82Å
1849	N	60.4	Low	65.8	Low	38 Å²	38	60 Å²	60	20%	0.203	32%	0.318	C	S	.	.			trans	55.4	-16.9	-161.8	-156.3	55.2	0	0	0	116.7	D891 F1679 D1835 D1846 G1851	D891-N1849 VanDerWaalsContact CB-C 3.48Å; D891-N1849 HydrophobicContact CB-CB 3.67Å; D891-N1849 VanDerWaalsContact OD2-CB 3.28Å; D891-N1849 WeakPolarHBondContact OD2-CB 3.47Å; D891-N1849 VanDerWaalsContact OD2-CG 3.25Å; D891-N1849 PolarHBondContact OD2-ND2 2.91Å; F1679-N1849 HydrophobicContact CE1-CB 4.16Å; F1679-N1849 WeakPolarHBondContact CE2-ND2 3.32Å; F1679-N1849 HydrophobicContact CZ-CB 3.92Å; F1679-N1849 WeakPolarHBondContact CZ-ND2 3.21Å; D1835-N1849 HydrophobicContact CB-CB 4.37Å; D1846-N1849 VanDerWaalsContact C-N 3.32Å; D1846-N1849 WeakPolarHBondContact CB-O 3.5Å; D1846-N1849 WeakPolarHBondContact O-CA 3.47Å; D1846-N1849 PolarHBondContact O-N 3.02Å; N1849-G1851 PolarHBondContact O-N 3.24Å
1850	D	70.7	Confident	65.9	Low	6 Å²	6	58.8 Å²	58.8	3%	0.032	31%	0.312	C	S	.	.			trans	-8.9	-6.3	177.4	117.2	-43.7	0	0	0	123.2	D889 D890 D891 D1848 K1852 I1853	D889-D1850 WeakPolarHBondContact CB-O 3.32Å; D890-D1850 WeakPolarHBondContact OD1-CA 3.28Å; D890-D1850 VanDerWaalsContact OD1-CB 3.23Å; D890-D1850 WeakPolarHBondContact OD1-CB 3.21Å; D891-D1850 VanDerWaalsContact CB-N 3.27Å; D891-D1850 VanDerWaalsContact CG-N 3.29Å; D891-D1850 VanDerWaalsContact OD1-C 3.26Å; D891-D1850 WeakPolarHBondContact OD1-CA 3.24Å; D891-D1850 PolarHBondContact OD1-N 2.92Å; D1848-D1850 HydrophobicContact CB-CB 3.92Å; D1848-D1850 PolarHBondContact O-N 2.82Å; D1850-K1852 WeakPolarHBondContact O-CG 3.46Å; D1850-K1852 PolarHBondContact O-N 2.9Å; D1850-K1852 WeakPolarHBondContact OD1-CA 3.48Å; D1850-K1852 WeakPolarHBondContact OD1-CB 3.18Å; D1850-K1852 PolarHBondContact OD1-N 2.78Å; D1850-K1852 WeakPolarHBondContact OD2-CB 3.15Å; D1850-I1853 PolarHBondContact OD1-N 3.3Å
1851	G	67.4	Low	65.4	Low	37 Å²	37	65.3 Å²	65.3	38%	0.381	34%	0.343	S	S	.	.	S	Bend	trans	62.8	-31.1	-175.1	0	0	0	0	0	116.9	D891 N1849	D891-G1851 PolarHBondContact OD1-N 3.45Å; N1849-G1851 PolarHBondContact O-N 3.24Å
1852	K	60.5	Low	65.9	Low	54 Å²	54	66.6 Å²	66.6	24%	0.235	35%	0.349	C	S	.	.	S	Bend	trans	-78.2	-20.3	-171.5	-60.3	165	178.2	116.8	0	112	D889 D890 G1686 D1850 T1856	D889-K1852 HydrophobicContact CB-CG 3.98Å; D889-K1852 WeakPolarHBondContact OD2-CG 3.33Å; D889-K1852 PolarHBondContact OD2-N 3.04Å; D890-K1852 VanDerWaalsContact CG-NZ 3.29Å; D890-K1852 IonicContact OD1-NZ 2.82Å; D890-K1852 PolarHBondContact OD1-NZ 2.88Å; G1686-K1852 PolarHBondContact O-NZ 2.89Å; D1850-K1852 WeakPolarHBondContact O-CG 3.46Å; D1850-K1852 PolarHBondContact O-N 2.9Å; D1850-K1852 WeakPolarHBondContact OD1-CA 3.48Å; D1850-K1852 WeakPolarHBondContact OD1-CB 3.18Å; D1850-K1852 PolarHBondContact OD1-N 2.78Å; D1850-K1852 WeakPolarHBondContact OD2-CB 3.15Å; K1852-T1856 WeakPolarHBondContact O-CB 3.32Å; K1852-T1856 PolarHBondContact O-OG1 3.49Å
1853	I	63	Low	65.8	Low	72 Å²	72	62.6 Å²	62.6	37%	0.369	35%	0.345	S	S	.	.			trans	69.9	128.8	-173.8	-54.4	158.8	0	0	0	111.3	N1845 D1846 D1850 R1855 T1856	N1845-I1853 HydrophobicContact CB-CG2 4.08Å; N1845-I1853 CarbonylContact O-C 3.46Å; N1845-I1853 WeakPolarHBondContact O-CA 3.15Å; N1845-I1853 WeakPolarHBondContact O-CG2 3.32Å; D1846-I1853 WeakPolarHBondContact OD1-CA 3.33Å; D1846-I1853 WeakPolarHBondContact OD1-CB 3.5Å; D1846-I1853 WeakPolarHBondContact OD1-CG1 3.35Å; D1846-I1853 PolarHBondContact OD1-N 3.18Å; D1850-I1853 PolarHBondContact OD1-N 3.3Å; I1853-R1855 HydrophobicContact CG2-CB 4.2Å; I1853-R1855 HydrophobicContact CG2-CG 4.21Å; I1853-R1855 PolarHBondContact O-N 2.74Å; I1853-T1856 WeakPolarHBondContact O-CB 3.2Å; I1853-T1856 PolarHBondContact O-N 3.2Å; I1853-T1856 PolarHBondContact O-OG1 2.78Å
1854	D	55.8	Low	65.7	Low	44 Å²	44	61.3 Å²	61.3	24%	0.235	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	3.9	-180	75.1	-139.6	0	0	0	116.2	N1845	N1845-D1854 WeakPolarHBondContact CA-OD1 2.86Å; N1845-D1854 WeakPolarHBondContact O-CB 3.42Å; N1845-D1854 VanDerWaalsContact O-CG 3.24Å; N1845-D1854 PolarHBondContact O-N 2.85Å; N1845-D1854 VanDerWaalsContact O-OD1 3.12Å
1855	R	62.9	Low	65.8	Low	95 Å²	95	63.8 Å²	63.8	36%	0.358	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	5.6	-173.2	-49.4	-165.4	-170.4	105.4	19	113.5	N1845 I1853 H1867	N1845-R1855 PolarHBondContact OD1-NH1 3.4Å; N1845-R1855 PolarHBondContact OD1-NH2 3.26Å; I1853-R1855 HydrophobicContact CG2-CB 4.2Å; I1853-R1855 HydrophobicContact CG2-CG 4.21Å; I1853-R1855 PolarHBondContact O-N 2.74Å; R1855-H1867 PolarHBondContact O-CE1 3.41Å; R1855-H1867 VanDerWaalsContact O-CE1 3.27Å
1856	T	63.5	Low	65.6	Low	84 Å²	84	62.3 Å²	62.3	52%	0.515	34%	0.344	S	S	.	.			trans	-106.4	-25	-171.3	-47.9	0	0	0	0	113.7	K1852 I1853 L1865	K1852-T1856 WeakPolarHBondContact O-CB 3.32Å; K1852-T1856 PolarHBondContact O-OG1 3.49Å; I1853-T1856 WeakPolarHBondContact O-CB 3.2Å; I1853-T1856 PolarHBondContact O-N 3.2Å; I1853-T1856 PolarHBondContact O-OG1 2.78Å; T1856-L1865 WeakPolarHBondContact O-CD2 3.3Å
1857	Q	58.2	Low	65.6	Low	106 Å²	106	65.6 Å²	65.6	50%	0.495	36%	0.358	S	S	.	.			trans	-61.8	144.5	175.4	-60.7	174.9	-1.7	0	0	113.2	L1865 N1866	Q1857-L1865 CarbonylContact O-C 3.51Å; Q1857-L1865 WeakPolarHBondContact O-CA 3.26Å; Q1857-N1866 PolarHBondContact O-N 2.84Å; Q1857-N1866 VanDerWaalsContact O-N 3.11Å; Q1857-N1866 PolarHBondContact O-OD1 2.85Å
1858	D	68.9	Low	65.8	Low	47 Å²	47	67 Å²	67	25%	0.251	37%	0.368	S	S	.	.			trans	-148.7	64.5	-171.1	-171.6	53.8	0	0	0	110.6	D1860 M1861 G1863 L1864 L1865 N1866	D1858-D1860 PolarHBondContact O-N 2.8Å; D1858-M1861 WeakPolarHBondContact O-CA 3.4Å; D1858-M1861 PolarHBondContact O-N 2.82Å; D1858-G1863 VanDerWaalsContact OD1-CA 3.27Å; D1858-G1863 WeakPolarHBondContact OD1-CA 3.3Å; D1858-G1863 PolarHBondContact OD1-N 3.49Å; D1858-G1863 VanDerWaalsContact OD2-CA 3.29Å; D1858-G1863 WeakPolarHBondContact OD2-CA 3.41Å; D1858-G1863 PolarHBondContact OD2-N 2.88Å; D1858-L1864 PolarHBondContact OD1-N 3.48Å; D1858-L1865 HydrophobicContact CB-CD2 4.32Å; D1858-L1865 PolarHBondContact OD1-N 2.87Å; D1858-N1866 WeakPolarHBondContact CA-OD1 3.41Å; D1858-N1866 PolarHBondContact N-OD1 2.89Å
1859	S	66.8	Low	65.7	Low	57 Å²	57	66.6 Å²	66.6	40%	0.399	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-45.7	-159.7	-64.8	0	0	0	0	115.8	M1861 N1866	S1859-M1861 VanDerWaalsContact C-N 3.28Å; S1859-M1861 PolarHBondContact O-N 2.84Å; S1859-N1866 PolarHBondContact N-OD1 2.85Å; S1859-N1866 PolarHBondContact OG-ND2 2.81Å
1860	D	67.8	Low	66.4	Low	50 Å²	50	72.2 Å²	72.2	27%	0.267	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.5	176	89.5	-31.8	0	0	0	115.1	D1858 D1862 D1872 N1874	D1858-D1860 PolarHBondContact O-N 2.8Å; D1860-D1862 VanDerWaalsContact C-N 3.35Å; D1860-D1862 PolarHBondContact O-N 3.28Å; D1860-D1862 WeakPolarHBondContact OD1-CB 3.1Å; D1860-D1862 PolarHBondContact OD1-N 2.96Å; D1860-D1872 WeakPolarHBondContact CB-O 2.94Å; D1860-D1872 PolarHBondContact N-O 3.27Å; D1860-N1874 HydrophobicContact CB-CB 4.16Å; D1860-N1874 WeakPolarHBondContact OD2-CB 2.9Å; D1860-N1874 VanDerWaalsContact OD2-CG 3.29Å; D1860-N1874 PolarHBondContact OD2-ND2 2.91Å
1861	M	60.7	Low	66.8	Low	164 Å²	164	73.8 Å²	73.8	81%	0.808	40%	0.4	S	S	*	.	S	Bend	trans	54	29.8	-170.5	-57.3	-166.2	-179.6	0	0	116.5	D1858 S1859 G1863	D1858-M1861 WeakPolarHBondContact O-CA 3.4Å; D1858-M1861 PolarHBondContact O-N 2.82Å; S1859-M1861 VanDerWaalsContact C-N 3.28Å; S1859-M1861 PolarHBondContact O-N 2.84Å; M1861-G1863 PolarHBondContact O-N 2.87Å
1862	D	73.8	Confident	67.2	Low	90 Å²	90	73.5 Å²	73.5	48%	0.481	39%	0.389	S	S	.	.	S	Bend	trans	-66	-29.2	166.7	-177.4	-87.5	0	0	0	111.4	D1860	D1860-D1862 VanDerWaalsContact C-N 3.35Å; D1860-D1862 PolarHBondContact O-N 3.28Å; D1860-D1862 WeakPolarHBondContact OD1-CB 3.1Å; D1860-D1862 PolarHBondContact OD1-N 2.96Å
1863	G	71.3	Confident	67.7	Low	53 Å²	53	72 Å²	72	55%	0.546	38%	0.384	S	S	.	.	S	Bend	trans	93.8	40.6	-168.3	0	0	0	0	0	112.7	D1858 M1861	D1858-G1863 VanDerWaalsContact OD1-CA 3.27Å; D1858-G1863 WeakPolarHBondContact OD1-CA 3.3Å; D1858-G1863 PolarHBondContact OD1-N 3.49Å; D1858-G1863 VanDerWaalsContact OD2-CA 3.29Å; D1858-G1863 WeakPolarHBondContact OD2-CA 3.41Å; D1858-G1863 PolarHBondContact OD2-N 2.88Å; M1861-G1863 PolarHBondContact O-N 2.87Å
1864	L	70.1	Confident	67.9	Low	70 Å²	70	71.8 Å²	71.8	37%	0.366	38%	0.383	S	S	.	.			trans	-133.6	42.2	-179.7	-81.1	179.8	0	0	0	113.9	D1858 V1868 D1869	D1858-L1864 PolarHBondContact OD1-N 3.48Å; L1864-V1868 HydrophobicContact CD2-CG1 4.48Å; L1864-D1869 HydrophobicContact CB-CB 4.23Å; L1864-D1869 VanDerWaalsContact CB-OD2 3.23Å; L1864-D1869 WeakPolarHBondContact CB-OD2 3.41Å; L1864-D1869 WeakPolarHBondContact CD1-OD2 3.47Å; L1864-D1869 PolarHBondContact O-N 2.65Å
1865	L	65.5	Low	68.8	Low	65 Å²	65	71.9 Å²	71.9	34%	0.34	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	17.1	106.8	159.2	-59.1	170.5	0	0	0	115.8	T1856 Q1857 D1858 H1867 V1868	T1856-L1865 WeakPolarHBondContact O-CD2 3.3Å; Q1857-L1865 CarbonylContact O-C 3.51Å; Q1857-L1865 WeakPolarHBondContact O-CA 3.26Å; D1858-L1865 HydrophobicContact CB-CD2 4.32Å; D1858-L1865 PolarHBondContact OD1-N 2.87Å; L1865-H1867 VanDerWaalsContact C-N 3.27Å; L1865-H1867 CarbonylContact O-C 3.6Å; L1865-H1867 PolarHBondContact O-N 2.83Å; L1865-V1868 HydrophobicContact CB-CG2 4.23Å; L1865-V1868 WeakPolarHBondContact O-CA 3.48Å; L1865-V1868 VanDerWaalsContact O-CB 3.24Å; L1865-V1868 WeakPolarHBondContact O-CB 3.45Å; L1865-V1868 WeakPolarHBondContact O-CG2 3.46Å; L1865-V1868 PolarHBondContact O-N 2.78Å
1866	N	65.6	Low	69.3	Low	33 Å²	33	69.6 Å²	69.6	18%	0.176	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-35	-50.2	-165	-58.1	4.9	0	0	0	114.7	Q1857 D1858 S1859 V1868 D1869 D1872	Q1857-N1866 PolarHBondContact O-N 2.84Å; Q1857-N1866 VanDerWaalsContact O-N 3.11Å; Q1857-N1866 PolarHBondContact O-OD1 2.85Å; D1858-N1866 WeakPolarHBondContact CA-OD1 3.41Å; D1858-N1866 PolarHBondContact N-OD1 2.89Å; S1859-N1866 PolarHBondContact N-OD1 2.85Å; S1859-N1866 PolarHBondContact OG-ND2 2.81Å; N1866-V1868 PolarHBondContact O-N 3.28Å; N1866-D1869 PolarHBondContact O-N 2.94Å; N1866-D1872 VanDerWaalsContact O-OD1 3.14Å
1867	H	65.7	Low	69.5	Low	107 Å²	107	68.1 Å²	68.1	50%	0.495	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-58.4	3.4	173.7	80.2	-80.7	0	0	0	117.2	R1855 L1865	R1855-H1867 PolarHBondContact O-CE1 3.41Å; R1855-H1867 VanDerWaalsContact O-CE1 3.27Å; L1865-H1867 VanDerWaalsContact C-N 3.27Å; L1865-H1867 CarbonylContact O-C 3.6Å; L1865-H1867 PolarHBondContact O-N 2.83Å
1868	V	74	Confident	70.4	Confident	81 Å²	81	65.3 Å²	65.3	49%	0.491	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-128.6	-26.4	-174.5	-171.5	0	0	0	0	114.2	L1864 L1865 N1866	L1864-V1868 HydrophobicContact CD2-CG1 4.48Å; L1865-V1868 HydrophobicContact CB-CG2 4.23Å; L1865-V1868 WeakPolarHBondContact O-CA 3.48Å; L1865-V1868 VanDerWaalsContact O-CB 3.24Å; L1865-V1868 WeakPolarHBondContact O-CB 3.45Å; L1865-V1868 WeakPolarHBondContact O-CG2 3.46Å; L1865-V1868 PolarHBondContact O-N 2.78Å; N1866-V1868 PolarHBondContact O-N 3.28Å
1869	D	67.3	Low	70.3	Confident	46 Å²	46	65 Å²	65	25%	0.246	37%	0.368	C	S	.	.			trans	-77.7	-172.2	173.2	-136.8	-42.5	0	0	0	111.6	L1864 N1866	L1864-D1869 HydrophobicContact CB-CB 4.23Å; L1864-D1869 VanDerWaalsContact CB-OD2 3.23Å; L1864-D1869 WeakPolarHBondContact CB-OD2 3.41Å; L1864-D1869 WeakPolarHBondContact CD1-OD2 3.47Å; L1864-D1869 PolarHBondContact O-N 2.65Å; N1866-D1869 PolarHBondContact O-N 2.94Å
1870	E	75.9	Confident	70.6	Confident	155 Å²	155	68.6 Å²	68.6	72%	0.724	39%	0.387	S	S	*	.	S	Bend	trans	-134.7	23.5	169.1	-54.5	-178.1	146.2	0	0	108.7	P1878	E1870-P1878 WeakPolarHBondContact O-CA 3.49Å; E1870-P1878 WeakPolarHBondContact O-CB 3.23Å
1871	D	78.3	Confident	70.6	Confident	39 Å²	39	72.3 Å²	72.3	21%	0.209	41%	0.406	C	S	.	.			trans	-169.3	52.9	-163.7	-130.7	48.9	0	0	0	109	D1873 N1874 G1876 D1879	D1871-D1873 VanDerWaalsContact C-N 3.34Å; D1871-D1873 PolarHBondContact O-N 3.27Å; D1871-D1873 VanDerWaalsContact O-N 3.15Å; D1871-N1874 WeakPolarHBondContact O-CA 3.46Å; D1871-N1874 PolarHBondContact O-N 3.47Å; D1871-G1876 WeakPolarHBondContact OD2-CA 3.37Å; D1871-D1879 PolarHBondContact N-OD1 3.46Å
1872	D	76.2	Confident	70.7	Confident	31 Å²	31	65.7 Å²	65.7	17%	0.166	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.3	-159.4	-75.4	-9.3	0	0	0	117.5	D1860 N1866	D1860-D1872 WeakPolarHBondContact CB-O 2.94Å; D1860-D1872 PolarHBondContact N-O 3.27Å; N1866-D1872 VanDerWaalsContact O-OD1 3.14Å
1873	D	70.5	Confident	70.6	Confident	24 Å²	24	64.2 Å²	64.2	13%	0.128	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-11.5	171.7	91.3	-43.3	0	0	0	113.8	D1871 D1875	D1871-D1873 VanDerWaalsContact C-N 3.34Å; D1871-D1873 PolarHBondContact O-N 3.27Å; D1871-D1873 VanDerWaalsContact O-N 3.15Å; D1873-D1875 PolarHBondContact OD1-N 3.09Å; D1873-D1875 WeakPolarHBondContact OD2-CB 3.15Å
1874	N	67.7	Low	70.5	Confident	66 Å²	66	63.3 Å²	63.3	35%	0.353	35%	0.352	S	S	.	.	S	Bend	trans	67.8	20.2	-174	-123.6	-100.1	0	0	0	118.6	D1860 D1871 G1876	D1860-N1874 HydrophobicContact CB-CB 4.16Å; D1860-N1874 WeakPolarHBondContact OD2-CB 2.9Å; D1860-N1874 VanDerWaalsContact OD2-CG 3.29Å; D1860-N1874 PolarHBondContact OD2-ND2 2.91Å; D1871-N1874 WeakPolarHBondContact O-CA 3.46Å; D1871-N1874 PolarHBondContact O-N 3.47Å; N1874-G1876 VanDerWaalsContact C-N 3.31Å; N1874-G1876 PolarHBondContact O-N 2.72Å
1875	D	74.1	Confident	70.5	Confident	46 Å²	46	61 Å²	61	25%	0.246	34%	0.343	C	S	.	.	S	Bend	trans	-62.1	-38.9	172.2	105.3	-57.5	0	0	0	111.7	D1873 I1877	D1873-D1875 PolarHBondContact OD1-N 3.09Å; D1873-D1875 WeakPolarHBondContact OD2-CB 3.15Å; D1875-I1877 WeakPolarHBondContact OD1-CA 3.2Å; D1875-I1877 VanDerWaalsContact OD1-CB 3.24Å; D1875-I1877 WeakPolarHBondContact OD1-CB 3.49Å; D1875-I1877 PolarHBondContact OD1-N 2.89Å; D1875-I1877 VanDerWaalsContact OD2-CD1 3.32Å; D1875-I1877 WeakPolarHBondContact OD2-CD1 3.46Å; D1875-I1877 VanDerWaalsContact OD2-CG1 3.29Å; D1875-I1877 WeakPolarHBondContact OD2-CG1 3.38Å
1876	G	72.7	Confident	70.6	Confident	47 Å²	47	60.7 Å²	60.7	49%	0.485	34%	0.342	S	S	.	.	S	Bend	trans	112.3	13	-178.9	0	0	0	0	0	116.3	D1871 N1874	D1871-G1876 WeakPolarHBondContact OD2-CA 3.37Å; N1874-G1876 VanDerWaalsContact C-N 3.31Å; N1874-G1876 PolarHBondContact O-N 2.72Å
1877	I	68.8	Low	70.5	Confident	53 Å²	53	61 Å²	61	27%	0.272	35%	0.353	S	S	.	.	S	Bend	trans	-104.3	101.8	167.4	-57.4	171.6	0	0	0	106.6	D1875 D1879 L1881 D1882	D1875-I1877 WeakPolarHBondContact OD1-CA 3.2Å; D1875-I1877 VanDerWaalsContact OD1-CB 3.24Å; D1875-I1877 WeakPolarHBondContact OD1-CB 3.49Å; D1875-I1877 PolarHBondContact OD1-N 2.89Å; D1875-I1877 VanDerWaalsContact OD2-CD1 3.32Å; D1875-I1877 WeakPolarHBondContact OD2-CD1 3.46Å; D1875-I1877 VanDerWaalsContact OD2-CG1 3.29Å; D1875-I1877 WeakPolarHBondContact OD2-CG1 3.38Å; I1877-D1879 PolarHBondContact O-N 2.89Å; I1877-L1881 HydrophobicContact CG2-CB 3.85Å; I1877-L1881 WeakPolarHBondContact CG2-O 3.1Å; I1877-D1882 HydrophobicContact CG2-CB 4.19Å; I1877-D1882 VanDerWaalsContact O-OD2 3.06Å
1878	P	76.2	Confident	70.5	Confident	47 Å²	47	59.7 Å²	59.7	31%	0.305	35%	0.349	S	S	.	.			trans	-65.8	106.4	-171.6	27.2	-38.1	0	0	0	111.7	E1870 V1880 L1881	E1870-P1878 WeakPolarHBondContact O-CA 3.49Å; E1870-P1878 WeakPolarHBondContact O-CB 3.23Å; P1878-V1880 CarbonylContact O-C 3.45Å; P1878-V1880 WeakPolarHBondContact O-CA 3.06Å; P1878-V1880 PolarHBondContact O-N 2.83Å; P1878-L1881 HydrophobicContact CG-CD1 4.04Å; P1878-L1881 HydrophobicContact CG-CG 4.47Å; P1878-L1881 PolarHBondContact O-N 3Å
1879	D	67.9	Low	70	Confident	42 Å²	42	58.2 Å²	58.2	23%	0.225	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	5.4	-59.8	175.3	38.1	-96	0	0	0	116.3	D1871 I1877 L1881 D1882 A1885	D1871-D1879 PolarHBondContact N-OD1 3.46Å; I1877-D1879 PolarHBondContact O-N 2.89Å; D1879-L1881 PolarHBondContact O-N 3.14Å; D1879-D1882 PolarHBondContact O-N 3.29Å; D1879-A1885 HydrophobicContact CB-CB 4.19Å
1880	V	72.4	Confident	69.5	Low	131 Å²	131	60 Å²	60	79%	0.794	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-47.8	-10.4	166.5	172.6	0	0	0	0	115.5	P1878	P1878-V1880 CarbonylContact O-C 3.45Å; P1878-V1880 WeakPolarHBondContact O-CA 3.06Å; P1878-V1880 PolarHBondContact O-N 2.83Å
1881	L	68.4	Low	68.7	Low	128 Å²	128	54.1 Å²	54.1	67%	0.67	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-127.5	-7.6	177	-65.3	-177.6	0	0	0	114.7	I1877 P1878 D1879	I1877-L1881 HydrophobicContact CG2-CB 3.85Å; I1877-L1881 WeakPolarHBondContact CG2-O 3.1Å; P1878-L1881 HydrophobicContact CG-CD1 4.04Å; P1878-L1881 HydrophobicContact CG-CG 4.47Å; P1878-L1881 PolarHBondContact O-N 3Å; D1879-L1881 PolarHBondContact O-N 3.14Å
1882	D	63.3	Low	67.7	Low	25 Å²	25	55.3 Å²	55.3	13%	0.134	34%	0.341	C	S	.	.			trans	-72.9	153.3	-177.9	-142	-47.4	0	0	0	111.1	I1877 D1879 D1884 A1885	I1877-D1882 HydrophobicContact CG2-CB 4.19Å; I1877-D1882 VanDerWaalsContact O-OD2 3.06Å; D1879-D1882 PolarHBondContact O-N 3.29Å; D1882-D1884 PolarHBondContact OD1-N 2.55Å; D1882-A1885 HydrophobicContact CB-CB 4.04Å
1883	P	70.1	Confident	66.8	Low	60 Å²	60	57.1 Å²	57.1	39%	0.39	36%	0.355	S	S	.	.	S	Bend	trans	-84.6	-19.3	154.1	-17.7	34.1	0	0	0	115	P1891 D1892	P1883-P1891 HydrophobicContact CB-CB 4.2Å; P1883-P1891 CarbonylContact O-C 3.48Å; P1883-P1891 WeakPolarHBondContact O-CA 3.34Å; P1883-P1891 WeakPolarHBondContact O-CB 3.44Å; P1883-D1892 PolarHBondContact O-N 2.88Å
1884	D	70.6	Confident	66	Low	33 Å²	33	64.6 Å²	64.6	18%	0.176	38%	0.382	C	S	.	.	S	Bend	trans	-143.8	56.1	-158	-161.3	-14.2	0	0	0	110.7	D1882 N1886 G1887 G1889 P1891 D1892	D1882-D1884 PolarHBondContact OD1-N 2.55Å; D1884-N1886 VanDerWaalsContact C-N 3.31Å; D1884-N1886 PolarHBondContact O-N 3.07Å; D1884-G1887 PolarHBondContact O-N 2.87Å; D1884-G1889 PolarHBondContact OD1-N 3.49Å; D1884-G1889 VanDerWaalsContact OD2-CA 3.29Å; D1884-G1889 WeakPolarHBondContact OD2-CA 3.37Å; D1884-P1891 HydrophobicContact CB-CB 4.37Å; D1884-P1891 HydrophobicContact CB-CG 4.24Å; D1884-D1892 WeakPolarHBondContact CA-OD1 3.25Å
1885	A	70	Confident	65.5	Low	21 Å²	21	67.1 Å²	67.1	17%	0.174	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-12.9	-156.6	0	0	0	0	0	116.3	D1879 D1882 D1892	D1879-A1885 HydrophobicContact CB-CB 4.19Å; D1882-A1885 HydrophobicContact CB-CB 4.04Å; A1885-D1892 PolarHBondContact N-OD1 3.01Å
1886	N	66.7	Low	64.4	Low	60 Å²	60	67.9 Å²	67.9	32%	0.321	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-4.7	170.2	71.8	-28.8	0	0	0	113	D1884 D1888 R1895	D1884-N1886 VanDerWaalsContact C-N 3.31Å; D1884-N1886 PolarHBondContact O-N 3.07Å; N1886-D1888 VanDerWaalsContact CG-OD2 3.27Å; N1886-D1888 PolarHBondContact ND2-OD2 3.12Å; N1886-D1888 PolarHBondContact O-N 3.43Å; N1886-D1888 PolarHBondContact OD1-OD2 3.18Å; N1886-D1888 VanDerWaalsContact OD1-OD2 3.04Å; N1886-R1895 PolarHBondContact ND2-NH1 2.84Å; N1886-R1895 VanDerWaalsContact ND2-NH1 3.12Å; N1886-R1895 PolarHBondContact OD1-NH2 3Å
1887	G	62.9	Low	63.2	Low	40 Å²	40	69.1 Å²	69.1	41%	0.412	40%	0.403	S	S	.	.			trans	71.5	22.4	172.6	0	0	0	0	0	116.2	D1884 G1889	D1884-G1887 PolarHBondContact O-N 2.87Å; G1887-G1889 VanDerWaalsContact C-N 3.28Å
1888	D	66.9	Low	62.3	Low	78 Å²	78	69.2 Å²	69.2	42%	0.417	42%	0.417	S	S	.	.	S	Bend	trans	-74.2	-17.5	174.9	58	29.8	0	0	0	113.1	N1886 I1890 R1895	N1886-D1888 VanDerWaalsContact CG-OD2 3.27Å; N1886-D1888 PolarHBondContact ND2-OD2 3.12Å; N1886-D1888 PolarHBondContact O-N 3.43Å; N1886-D1888 PolarHBondContact OD1-OD2 3.18Å; N1886-D1888 VanDerWaalsContact OD1-OD2 3.04Å; D1888-I1890 VanDerWaalsContact OD1-CA 3.32Å; D1888-I1890 WeakPolarHBondContact OD1-CA 3.47Å; D1888-I1890 VanDerWaalsContact OD1-CB 3.31Å; D1888-I1890 WeakPolarHBondContact OD1-CB 3.43Å; D1888-I1890 PolarHBondContact OD1-N 2.72Å; D1888-R1895 IonicContact OD1-NH2 2.75Å; D1888-R1895 PolarHBondContact OD1-NH2 3.05Å; D1888-R1895 VanDerWaalsContact OD1-NH2 3.17Å; D1888-R1895 IonicContact OD2-CZ 3.24Å; D1888-R1895 IonicContact OD2-NH1 3.06Å; D1888-R1895 PolarHBondContact OD2-NH1 2.98Å; D1888-R1895 VanDerWaalsContact OD2-NH1 3.11Å; D1888-R1895 IonicContact OD2-NH2 2.57Å; D1888-R1895 PolarHBondContact OD2-NH2 3.48Å
1889	G	63.5	Low	61.2	Low	50 Å²	50	69.1 Å²	69.1	52%	0.515	41%	0.414	S	S	.	.	S	Bend	trans	94.3	3.8	-177	0	0	0	0	0	113.5	D1884 G1887 P1891	D1884-G1889 PolarHBondContact OD1-N 3.49Å; D1884-G1889 VanDerWaalsContact OD2-CA 3.29Å; D1884-G1889 WeakPolarHBondContact OD2-CA 3.37Å; G1887-G1889 VanDerWaalsContact C-N 3.28Å; G1889-P1891 VanDerWaalsContact O-CD 3.26Å; G1889-P1891 WeakPolarHBondContact O-CD 3.36Å
1890	I	55.7	Low	60.3	Low	83 Å²	83	73.3 Å²	73.3	43%	0.426	43%	0.432	S	S	.	.	S	Bend	trans	-110.9	86.3	172.8	-50.5	179.1	0	0	0	107.8	D1888 D1892 R1894 R1895	D1888-I1890 VanDerWaalsContact OD1-CA 3.32Å; D1888-I1890 WeakPolarHBondContact OD1-CA 3.47Å; D1888-I1890 VanDerWaalsContact OD1-CB 3.31Å; D1888-I1890 WeakPolarHBondContact OD1-CB 3.43Å; D1888-I1890 PolarHBondContact OD1-N 2.72Å; I1890-D1892 PolarHBondContact O-N 3.27Å; I1890-R1894 HydrophobicContact CG2-CB 4.32Å; I1890-R1895 PolarHBondContact O-NH2 3.43Å
1891	P	59.6	Low	59.4	Low	33 Å²	33	70.5 Å²	70.5	21%	0.214	41%	0.408	C	S	.	.			trans	-42.7	129.6	-179.6	-35.1	36.1	0	0	0	113.9	P1883 D1884 G1889 C1893 R1894	P1883-P1891 HydrophobicContact CB-CB 4.2Å; P1883-P1891 CarbonylContact O-C 3.48Å; P1883-P1891 WeakPolarHBondContact O-CA 3.34Å; P1883-P1891 WeakPolarHBondContact O-CB 3.44Å; D1884-P1891 HydrophobicContact CB-CB 4.37Å; D1884-P1891 HydrophobicContact CB-CG 4.24Å; G1889-P1891 VanDerWaalsContact O-CD 3.26Å; G1889-P1891 WeakPolarHBondContact O-CD 3.36Å; P1891-C1893 CarbonylContact O-C 3.34Å; P1891-C1893 PolarHBondContact O-N 3.34Å; P1891-R1894 WeakPolarHBondContact O-CA 3.35Å; P1891-R1894 WeakPolarHBondContact O-CB 3.4Å; P1891-R1894 PolarHBondContact O-N 2.7Å
1892	D	58.3	Low	59.1	Low	64 Å²	64	70.5 Å²	70.5	34%	0.342	40%	0.402	S	S	.	.	H	α-helix	trans	-40.7	-38.2	178.7	-24.7	-26	0	0	0	112.4	P1883 D1884 A1885 I1890 R1894 R1895 D1896	P1883-D1892 PolarHBondContact O-N 2.88Å; D1884-D1892 WeakPolarHBondContact CA-OD1 3.25Å; A1885-D1892 PolarHBondContact N-OD1 3.01Å; I1890-D1892 PolarHBondContact O-N 3.27Å; D1892-R1894 PolarHBondContact O-N 2.64Å; D1892-R1895 PolarHBondContact O-N 2.87Å; D1892-D1896 PolarHBondContact O-N 3.22Å
1893	C	57.5	Low	58.8	Low	69 Å²	69	73.7 Å²	73.7	47%	0.466	42%	0.419	S	S	.	.	H	α-helix	trans	-71.5	12.4	178.2	70.9	0	0	0	0	115.5	P1891 Y1901	P1891-C1893 CarbonylContact O-C 3.34Å; P1891-C1893 PolarHBondContact O-N 3.34Å; C1893-Y1901 HydrophobicContact CB-CD2 3.99Å; C1893-Y1901 HydrophobicContact CB-CE2 4.39Å
1894	R	53.7	Low	58.5	Low	181 Å²	181	73.7 Å²	73.7	68%	0.683	42%	0.417	S	S	*	.	H	α-helix	trans	-122.4	-35.2	179.3	-161.9	176.6	-175.7	-172.8	-5.5	112.5	I1890 P1891 D1892 D1896	I1890-R1894 HydrophobicContact CG2-CB 4.32Å; P1891-R1894 WeakPolarHBondContact O-CA 3.35Å; P1891-R1894 WeakPolarHBondContact O-CB 3.4Å; P1891-R1894 PolarHBondContact O-N 2.7Å; D1892-R1894 PolarHBondContact O-N 2.64Å; R1894-D1896 PolarHBondContact O-N 2.81Å
1895	R	56.5	Low	58.1	Low	119 Å²	119	76.2 Å²	76.2	45%	0.449	43%	0.427	S	S	.	.	H	α-helix	trans	-61.3	-26.9	163.1	-91.6	168.3	-79.7	-174.3	-6.2	112.4	N1886 D1888 I1890 D1892 G1897	N1886-R1895 PolarHBondContact ND2-NH1 2.84Å; N1886-R1895 VanDerWaalsContact ND2-NH1 3.12Å; N1886-R1895 PolarHBondContact OD1-NH2 3Å; D1888-R1895 IonicContact OD1-NH2 2.75Å; D1888-R1895 PolarHBondContact OD1-NH2 3.05Å; D1888-R1895 VanDerWaalsContact OD1-NH2 3.17Å; D1888-R1895 IonicContact OD2-CZ 3.24Å; D1888-R1895 IonicContact OD2-NH1 3.06Å; D1888-R1895 PolarHBondContact OD2-NH1 2.98Å; D1888-R1895 VanDerWaalsContact OD2-NH1 3.11Å; D1888-R1895 IonicContact OD2-NH2 2.57Å; D1888-R1895 PolarHBondContact OD2-NH2 3.48Å; I1890-R1895 PolarHBondContact O-NH2 3.43Å; D1892-R1895 PolarHBondContact O-N 2.87Å; R1895-G1897 PolarHBondContact O-N 2.71Å
1896	D	50.4	Low	57.5	Low	62 Å²	62	76.2 Å²	76.2	33%	0.332	43%	0.426	S	S	.	.	S	Bend	trans	-72	60.7	174.1	-155.2	30.8	0	0	0	111.9	D1892 R1894 G1898 L1899 Y1901	D1892-D1896 PolarHBondContact O-N 3.22Å; R1894-D1896 PolarHBondContact O-N 2.81Å; D1896-G1898 PolarHBondContact O-N 3.14Å; D1896-G1898 VanDerWaalsContact O-N 3.11Å; D1896-L1899 HydrophobicContact CB-CB 4.49Å; D1896-L1899 WeakPolarHBondContact O-CB 3.2Å; D1896-L1899 PolarHBondContact O-N 3.41Å; D1896-L1899 VanDerWaalsContact OD1-CD1 3.22Å; D1896-L1899 WeakPolarHBondContact OD1-CD1 3.16Å; D1896-L1899 WeakPolarHBondContact OD2-CB 3.19Å; D1896-L1899 WeakPolarHBondContact OD2-CD1 3.47Å; D1896-Y1901 HydrophobicContact CB-CE2 4.42Å; D1896-Y1901 WeakPolarHBondContact OD2-CE2 3.41Å; D1896-Y1901 PolarHBondContact OD2-OH 3.24Å
1897	G	47.2	Very low	57	Low	73 Å²	73	80.3 Å²	80.3	75%	0.753	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-39.8	-160.5	0	0	0	0	0	116.4	R1895 L1899	R1895-G1897 PolarHBondContact O-N 2.71Å; G1897-L1899 VanDerWaalsContact C-N 3.33Å; G1897-L1899 PolarHBondContact O-N 3.07Å
1898	G	50.9	Low	56.8	Low	55 Å²	55	82.7 Å²	82.7	57%	0.567	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	0.5	180	0	0	0	0	0	116.7	D1896	D1896-G1898 PolarHBondContact O-N 3.14Å; D1896-G1898 VanDerWaalsContact O-N 3.11Å
1899	L	53.4	Low	56.2	Low	44 Å²	44	81.2 Å²	81.2	23%	0.23	47%	0.469	C	S	.	.			trans	-126.4	48.4	-150.2	-73.3	175.3	0	0	0	118.8	D1896 G1897 Y1901 R1916	D1896-L1899 HydrophobicContact CB-CB 4.49Å; D1896-L1899 WeakPolarHBondContact O-CB 3.2Å; D1896-L1899 PolarHBondContact O-N 3.41Å; D1896-L1899 VanDerWaalsContact OD1-CD1 3.22Å; D1896-L1899 WeakPolarHBondContact OD1-CD1 3.16Å; D1896-L1899 WeakPolarHBondContact OD2-CB 3.19Å; D1896-L1899 WeakPolarHBondContact OD2-CD1 3.47Å; G1897-L1899 VanDerWaalsContact C-N 3.33Å; G1897-L1899 PolarHBondContact O-N 3.07Å; L1899-Y1901 HydrophobicContact CB-CE2 4.06Å; L1899-Y1901 WeakPolarHBondContact O-CD2 3.23Å; L1899-Y1901 WeakPolarHBondContact O-CE2 3.31Å; L1899-Y1901 VanDerWaalsContact O-CG 3.3Å; L1899-Y1901 PolarHBondContact O-N 2.99Å; L1899-R1916 VanDerWaalsContact CD1-CZ 3.43Å; L1899-R1916 HydrophobicContact CD2-CG 3.97Å; L1899-R1916 VanDerWaalsContact CD2-CZ 3.48Å
1900	H	49.3	Very low	55.7	Low	130 Å²	130	85.1 Å²	85.1	60%	0.602	48%	0.477	S	S	*	.			trans	-39.3	106.1	178.9	-123.9	25.2	0	0	0	117.4	I1917 E1919	H1900-I1917 PolarHBondContact O-N 3.1Å; H1900-E1919 IonicContact CD2-OE1 3.81Å; H1900-E1919 PolarHBondContact CD2-OE1 3.14Å; H1900-E1919 VanDerWaalsContact CD2-OE1 3.24Å; H1900-E1919 IonicContact CG-OE1 3.95Å
1901	Y	53.5	Low	55.2	Low	73 Å²	73	85.9 Å²	85.9	29%	0.286	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-96.5	130.6	-174.7	-68.4	-64.7	0	0	0	114.9	C1893 D1896 L1899 V1914 R1916	C1893-Y1901 HydrophobicContact CB-CD2 3.99Å; C1893-Y1901 HydrophobicContact CB-CE2 4.39Å; D1896-Y1901 HydrophobicContact CB-CE2 4.42Å; D1896-Y1901 WeakPolarHBondContact OD2-CE2 3.41Å; D1896-Y1901 PolarHBondContact OD2-OH 3.24Å; L1899-Y1901 HydrophobicContact CB-CE2 4.06Å; L1899-Y1901 WeakPolarHBondContact O-CD2 3.23Å; L1899-Y1901 WeakPolarHBondContact O-CE2 3.31Å; L1899-Y1901 VanDerWaalsContact O-CG 3.3Å; L1899-Y1901 PolarHBondContact O-N 2.99Å; Y1901-V1914 HydrophobicContact CD1-CG1 3.59Å; Y1901-V1914 HydrophobicContact CG-CG1 4.03Å; Y1901-R1916 HydrophobicContact CD1-CB 4.29Å; Y1901-R1916 HydrophobicContact CE1-CB 4.05Å; Y1901-R1916 HydrophobicContact CE1-CG 4.16Å; Y1901-R1916 PolarHBondContact OH-NE 2.87Å; Y1901-R1916 PolarHBondContact OH-NH2 2.89Å
1902	K	60.3	Low	55.5	Low	127 Å²	127	91.8 Å²	91.8	55%	0.552	50%	0.503	S	S	*	.			trans	-107.4	103.1	173.3	-162.8	164.9	-139.8	69.9	0	114.5	V1904 L1915 I1917	K1902-V1904 PolarHBondContact O-N 2.75Å; K1902-L1915 HydrophobicContact CB-CB 4.33Å; K1902-L1915 PolarHBondContact N-O 3.34Å; K1902-L1915 PolarHBondContact O-N 3.17Å; K1902-L1915 VanDerWaalsContact O-N 3.08Å; K1902-I1917 HydrophobicContact CB-CD1 3.61Å; K1902-I1917 HydrophobicContact CB-CG1 4.25Å; K1902-I1917 HydrophobicContact CD-CD1 3.85Å; K1902-I1917 HydrophobicContact CG-CD1 4.35Å
1903	L	57.9	Low	55.8	Low	92 Å²	92	94.6 Å²	94.6	48%	0.482	51%	0.512	S	S	.	.			trans	-66.3	108.5	174.4	-72.6	149.3	0	0	0	112.7	K1905 I1911 V1914	L1903-K1905 VanDerWaalsContact C-N 3.28Å; L1903-K1905 PolarHBondContact O-N 3.13Å; L1903-I1911 HydrophobicContact CD2-CD1 3.69Å; L1903-I1911 HydrophobicContact CD2-CG1 3.88Å; L1903-I1911 HydrophobicContact CD2-CG2 3.8Å; L1903-V1914 HydrophobicContact CD2-CG2 4.1Å
1904	V	64.3	Low	55.6	Low	60 Å²	60	94.5 Å²	94.5	36%	0.364	51%	0.51	S	S	.	.			trans	-82.9	72.9	171.1	-170.7	0	0	0	0	109.4	K1902 K1912 K1913 L1915	K1902-V1904 PolarHBondContact O-N 2.75Å; V1904-K1912 WeakPolarHBondContact O-CB 3.42Å; V1904-K1912 PolarHBondContact O-N 3.32Å; V1904-K1913 HydrophobicContact CB-CB 4.3Å; V1904-K1913 VanDerWaalsContact CB-O 3.24Å; V1904-K1913 WeakPolarHBondContact CB-O 3.25Å; V1904-K1913 HydrophobicContact CG2-CB 4.39Å; V1904-K1913 WeakPolarHBondContact CG2-O 3.34Å; V1904-K1913 PolarHBondContact N-O 2.81Å; V1904-L1915 HydrophobicContact CG2-CD1 3.64Å; V1904-L1915 HydrophobicContact CG2-CG 4.24Å
1905	K	61.1	Low	55.8	Low	87 Å²	87	89.3 Å²	89.3	38%	0.378	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	140.8	169.2	-68.8	-168.4	-177.3	-171.2	0	109.2	D1155 D1156 L1903 G1909 I1911	D1155-K1905 IonicContact OD2-NZ 3.64Å; D1156-K1905 IonicContact OD1-NZ 2.66Å; D1156-K1905 PolarHBondContact OD1-NZ 3.29Å; D1156-K1905 IonicContact OD2-NZ 2.73Å; D1156-K1905 PolarHBondContact OD2-NZ 2.9Å; L1903-K1905 VanDerWaalsContact C-N 3.28Å; L1903-K1905 PolarHBondContact O-N 3.13Å; K1905-G1909 WeakPolarHBondContact CB-O 3.38Å; K1905-I1911 HydrophobicContact CG-CG1 4.01Å
1906	S	57.3	Low	55.5	Low	21 Å²	21	91.2 Å²	91.2	15%	0.147	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	168.8	-174.5	69.8	0	0	0	0	112.3	S1908 G1909 L1910	S1906-S1908 PolarHBondContact O-N 3.44Å; S1906-S1908 PolarHBondContact OG-N 2.95Å; S1906-S1908 PolarHBondContact OG-OG 2.75Å; S1906-G1909 PolarHBondContact N-O 2.82Å; S1906-G1909 PolarHBondContact O-N 2.59Å; S1906-L1910 WeakPolarHBondContact CB-O 3.48Å; S1906-L1910 PolarHBondContact N-O 2.89Å; S1906-L1910 PolarHBondContact OG-O 2.84Å
1907	P	56.3	Low	55.6	Low	146 Å²	146	92 Å²	92	95%	0.948	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	20.5	169	-22.4	34.9	0	0	0	115.6
1908	S	59.5	Low	55.9	Low	89 Å²	89	95.4 Å²	95.4	62%	0.622	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.7	18.7	-179.2	33.3	0	0	0	0	112.1	S1906 L1910	S1906-S1908 PolarHBondContact O-N 3.44Å; S1906-S1908 PolarHBondContact OG-N 2.95Å; S1906-S1908 PolarHBondContact OG-OG 2.75Å; S1908-L1910 PolarHBondContact O-N 2.8Å
1909	G	54.6	Low	56.1	Low	47 Å²	47	96.2 Å²	96.2	49%	0.485	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	81.5	-87.6	-170.7	0	0	0	0	0	109.1	K1905 S1906 I1911	K1905-G1909 WeakPolarHBondContact CB-O 3.38Å; S1906-G1909 PolarHBondContact N-O 2.82Å; S1906-G1909 PolarHBondContact O-N 2.59Å; G1909-I1911 PolarHBondContact O-N 3.01Å
1910	L	53	Low	56.3	Low	132 Å²	132	96.7 Å²	96.7	69%	0.691	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-0.1	105.9	172	-75.4	168.1	0	0	0	114.9	S1906 S1908 K1912	S1906-L1910 WeakPolarHBondContact CB-O 3.48Å; S1906-L1910 PolarHBondContact N-O 2.89Å; S1906-L1910 PolarHBondContact OG-O 2.84Å; S1908-L1910 PolarHBondContact O-N 2.8Å; L1910-K1912 PolarHBondContact O-N 3.36Å
1911	I	44.5	Very low	56.8	Low	99 Å²	99	91.8 Å²	91.8	51%	0.508	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.5	136.7	169.1	-63.4	157.9	0	0	0	109	L1903 K1905 G1909	L1903-I1911 HydrophobicContact CD2-CD1 3.69Å; L1903-I1911 HydrophobicContact CD2-CG1 3.88Å; L1903-I1911 HydrophobicContact CD2-CG2 3.8Å; K1905-I1911 HydrophobicContact CG-CG1 4.01Å; G1909-I1911 PolarHBondContact O-N 3.01Å
1912	K	65	Low	57	Low	157 Å²	157	95.3 Å²	95.3	68%	0.683	49%	0.489	S	S	*	.			trans	-125.5	-20.1	-168.5	-156.3	-171.3	174.7	-167.1	0	114	V1904 L1910	V1904-K1912 WeakPolarHBondContact O-CB 3.42Å; V1904-K1912 PolarHBondContact O-N 3.32Å; L1910-K1912 PolarHBondContact O-N 3.36Å
1913	K	65.2	Low	57.2	Low	123 Å²	123	91.2 Å²	91.2	54%	0.535	47%	0.471	S	S	.	.			trans	-170.4	131.3	171.3	-147.9	-165.5	166.2	-70.1	0	107.8	V1904 L1915	V1904-K1913 HydrophobicContact CB-CB 4.3Å; V1904-K1913 VanDerWaalsContact CB-O 3.24Å; V1904-K1913 WeakPolarHBondContact CB-O 3.25Å; V1904-K1913 HydrophobicContact CG2-CB 4.39Å; V1904-K1913 WeakPolarHBondContact CG2-O 3.34Å; V1904-K1913 PolarHBondContact N-O 2.81Å; K1913-L1915 HydrophobicContact CD-CD2 4.17Å; K1913-L1915 HydrophobicContact CD-CG 4.45Å
1914	V	54.3	Low	57.9	Low	67 Å²	67	90.9 Å²	90.9	41%	0.406	47%	0.468	S	S	.	.			trans	-79.5	148.7	156.7	-173.7	0	0	0	0	108.1	Y1901 L1903	Y1901-V1914 HydrophobicContact CD1-CG1 3.59Å; Y1901-V1914 HydrophobicContact CG-CG1 4.03Å; L1903-V1914 HydrophobicContact CD2-CG2 4.1Å
1915	L	56.3	Low	57.8	Low	72 Å²	72	93 Å²	93	38%	0.377	47%	0.473	S	S	.	.			trans	-130.3	105	173.9	-77.4	166.3	0	0	0	107.6	K1902 V1904 K1913 I1917	K1902-L1915 HydrophobicContact CB-CB 4.33Å; K1902-L1915 PolarHBondContact N-O 3.34Å; K1902-L1915 PolarHBondContact O-N 3.17Å; K1902-L1915 VanDerWaalsContact O-N 3.08Å; V1904-L1915 HydrophobicContact CG2-CD1 3.64Å; V1904-L1915 HydrophobicContact CG2-CG 4.24Å; K1913-L1915 HydrophobicContact CD-CD2 4.17Å; K1913-L1915 HydrophobicContact CD-CG 4.45Å; L1915-I1917 PolarHBondContact O-N 3.32Å
1916	R	51.3	Low	57.9	Low	159 Å²	159	94.4 Å²	94.4	60%	0.6	48%	0.481	S	S	*	.	B	Isolated β-bridge	trans	-55.4	124.2	162.4	-168.3	176.4	-86	-161	-1	107.7	L1899 Y1901	L1899-R1916 VanDerWaalsContact CD1-CZ 3.43Å; L1899-R1916 HydrophobicContact CD2-CG 3.97Å; L1899-R1916 VanDerWaalsContact CD2-CZ 3.48Å; Y1901-R1916 HydrophobicContact CD1-CB 4.29Å; Y1901-R1916 HydrophobicContact CE1-CB 4.05Å; Y1901-R1916 HydrophobicContact CE1-CG 4.16Å; Y1901-R1916 PolarHBondContact OH-NE 2.87Å; Y1901-R1916 PolarHBondContact OH-NH2 2.89Å
1917	I	53.3	Low	58.4	Low	78 Å²	78	96 Å²	96	40%	0.4	49%	0.487	S	S	.	.			trans	-113	140.5	172.1	-64.2	-175.4	0	0	0	104.8	H1900 K1902 L1915	H1900-I1917 PolarHBondContact O-N 3.1Å; K1902-I1917 HydrophobicContact CB-CD1 3.61Å; K1902-I1917 HydrophobicContact CB-CG1 4.25Å; K1902-I1917 HydrophobicContact CD-CD1 3.85Å; K1902-I1917 HydrophobicContact CG-CD1 4.35Å; L1915-I1917 PolarHBondContact O-N 3.32Å
1918	R	52.8	Low	59.1	Low	145 Å²	145	91.1 Å²	91.1	55%	0.547	46%	0.458	S	S	.	.			trans	-77.1	150.3	172	76.1	153.3	-161.3	153.3	9.9	109.5	T1921 E1924	R1918-T1921 VanDerWaalsContact NH1-CG2 3.3Å; R1918-T1921 PolarHBondContact NH2-OG1 2.69Å; R1918-E1924 IonicContact CZ-OE2 3.74Å; R1918-E1924 IonicContact NE-OE2 2.83Å; R1918-E1924 VanDerWaalsContact NH2-CD 3.35Å; R1918-E1924 IonicContact NH2-OE2 3.79Å; R1918-E1924 PolarHBondContact NH2-OE2 2.96Å
1919	E	55	Low	59.8	Low	73 Å²	73	93.3 Å²	93.3	34%	0.341	45%	0.454	S	S	.	.			trans	-52.7	134.9	161	-81.5	-55.2	99.8	0	0	111.1	H1900 T1921	H1900-E1919 IonicContact CD2-OE1 3.81Å; H1900-E1919 PolarHBondContact CD2-OE1 3.14Å; H1900-E1919 VanDerWaalsContact CD2-OE1 3.24Å; H1900-E1919 IonicContact CG-OE1 3.95Å; E1919-T1921 PolarHBondContact O-N 3.04Å; E1919-T1921 VanDerWaalsContact O-N 3.13Å
1920	P	58.5	Low	60.6	Low	53 Å²	53	94.9 Å²	94.9	34%	0.344	45%	0.45	S	S	.	.			trans	-66.3	108.5	159.8	29.8	-28.8	0	0	0	106.4	E1924 Q1925	P1920-E1924 HydrophobicContact CB-CB 3.79Å; P1920-Q1925 HydrophobicContact CB-CG 4.28Å; P1920-Q1925 HydrophobicContact CG-CG 4.19Å; P1920-Q1925 WeakPolarHBondContact O-CG 3.44Å; P1920-Q1925 PolarHBondContact O-NE2 2.78Å; P1920-Q1925 VanDerWaalsContact O-NE2 3.15Å
1921	T	59.5	Low	61.7	Low	27 Å²	27	91.8 Å²	91.8	17%	0.166	44%	0.437	C	S	.	.			trans	-56	165.3	174.7	51.2	0	0	0	0	111.7	P902 R1918 E1919 E1923 E1924 Q1925	P902-T1921 VanDerWaalsContact CD-OG1 3.28Å; P902-T1921 WeakPolarHBondContact CD-OG1 3.13Å; P902-T1921 WeakPolarHBondContact CG-OG1 3.24Å; R1918-T1921 VanDerWaalsContact NH1-CG2 3.3Å; R1918-T1921 PolarHBondContact NH2-OG1 2.69Å; E1919-T1921 PolarHBondContact O-N 3.04Å; E1919-T1921 VanDerWaalsContact O-N 3.13Å; T1921-E1923 CarbonylContact O-C 3.53Å; T1921-E1923 PolarHBondContact O-N 2.89Å; T1921-E1924 CarbonylContact O-C 3.43Å; T1921-E1924 WeakPolarHBondContact O-CA 3.37Å; T1921-E1924 PolarHBondContact O-N 2.8Å; T1921-Q1925 WeakPolarHBondContact O-CG 3.01Å; T1921-Q1925 PolarHBondContact O-N 3Å
1922	Q	56.5	Low	63.1	Low	147 Å²	147	90.4 Å²	90.4	69%	0.687	43%	0.431	S	S	*	.	H	α-helix	trans	-49.9	-34.6	-176.7	-68.8	-162.4	6.6	0	0	113.4	E1924 Q1925 H1926	Q1922-E1924 PolarHBondContact O-N 2.69Å; Q1922-Q1925 PolarHBondContact O-N 2.88Å; Q1922-H1926 VanDerWaalsContact O-CB 3.24Å; Q1922-H1926 WeakPolarHBondContact O-CB 3.22Å; Q1922-H1926 PolarHBondContact O-N 3.08Å
1923	E	65.6	Low	63.6	Low	41 Å²	41	84.9 Å²	84.9	19%	0.192	41%	0.407	C	S	.	.	H	α-helix	trans	-53.7	-49.4	169.8	-156.4	-177	-105.4	0	0	113.6	P902 R903 N904 T1921 Q1927	P902-E1923 VanDerWaalsContact C-CG 3.46Å; P902-E1923 HydrophobicContact CB-CB 3.64Å; P902-E1923 HydrophobicContact CB-CG 4.03Å; P902-E1923 WeakPolarHBondContact CB-OE1 3.15Å; P902-E1923 HydrophobicContact CG-CB 3.52Å; P902-E1923 HydrophobicContact CG-CG 4.36Å; P902-E1923 WeakPolarHBondContact O-CA 3.33Å; P902-E1923 WeakPolarHBondContact O-CB 3.45Å; P902-E1923 PolarHBondContact O-N 3.28Å; R903-E1923 VanDerWaalsContact N-CG 3.34Å; R903-E1923 PolarHBondContact N-OE1 2.86Å; N904-E1923 HydrophobicContact CB-CG 3.95Å; T1921-E1923 CarbonylContact O-C 3.53Å; T1921-E1923 PolarHBondContact O-N 2.89Å; E1923-Q1927 WeakPolarHBondContact O-CB 3.23Å; E1923-Q1927 WeakPolarHBondContact O-CG 3.39Å; E1923-Q1927 PolarHBondContact O-N 3.46Å; E1923-Q1927 PolarHBondContact O-NE2 2.72Å; E1923-Q1927 PolarHBondContact OE2-NE2 2.69Å
1924	E	71	Confident	63.8	Low	86 Å²	86	81.4 Å²	81.4	40%	0.402	40%	0.401	S	S	.	.	H	α-helix	trans	-80.9	-26.1	-176.1	-67.8	-157.6	126.8	0	0	111	R1918 P1920 T1921 Q1922 A1928	R1918-E1924 IonicContact CZ-OE2 3.74Å; R1918-E1924 IonicContact NE-OE2 2.83Å; R1918-E1924 VanDerWaalsContact NH2-CD 3.35Å; R1918-E1924 IonicContact NH2-OE2 3.79Å; R1918-E1924 PolarHBondContact NH2-OE2 2.96Å; P1920-E1924 HydrophobicContact CB-CB 3.79Å; T1921-E1924 CarbonylContact O-C 3.43Å; T1921-E1924 WeakPolarHBondContact O-CA 3.37Å; T1921-E1924 PolarHBondContact O-N 2.8Å; Q1922-E1924 PolarHBondContact O-N 2.69Å; E1924-A1928 WeakPolarHBondContact O-CA 3.48Å; E1924-A1928 WeakPolarHBondContact O-CB 3.45Å; E1924-A1928 PolarHBondContact O-N 2.99Å
1925	Q	63.8	Low	64.7	Low	103 Å²	103	83.1 Å²	83.1	48%	0.481	40%	0.403	S	S	.	.	H	α-helix	trans	-68	-56.2	168.4	-57.5	-124.6	24.2	0	0	110.9	P1920 T1921 Q1922 Q1927 A1928 Y1929	P1920-Q1925 HydrophobicContact CB-CG 4.28Å; P1920-Q1925 HydrophobicContact CG-CG 4.19Å; P1920-Q1925 WeakPolarHBondContact O-CG 3.44Å; P1920-Q1925 PolarHBondContact O-NE2 2.78Å; P1920-Q1925 VanDerWaalsContact O-NE2 3.15Å; T1921-Q1925 WeakPolarHBondContact O-CG 3.01Å; T1921-Q1925 PolarHBondContact O-N 3Å; Q1922-Q1925 PolarHBondContact O-N 2.88Å; Q1925-Q1927 VanDerWaalsContact C-N 3.33Å; Q1925-Q1927 PolarHBondContact O-N 3.06Å; Q1925-A1928 CarbonylContact O-C 3.56Å; Q1925-A1928 PolarHBondContact O-N 3.38Å; Q1925-Y1929 WeakPolarHBondContact O-CB 3.42Å; Q1925-Y1929 PolarHBondContact O-N 2.94Å
1926	H	62.6	Low	65.3	Low	118 Å²	118	86.9 Å²	86.9	55%	0.546	41%	0.412	S	S	.	.	H	α-helix	trans	-65.3	-35.4	179.1	-160.9	106.4	0	0	0	111.3	Q1922 I1930	Q1922-H1926 VanDerWaalsContact O-CB 3.24Å; Q1922-H1926 WeakPolarHBondContact O-CB 3.22Å; Q1922-H1926 PolarHBondContact O-N 3.08Å; H1926-I1930 VanDerWaalsContact CD2-CD1 3.46Å; H1926-I1930 WeakPolarHBondContact CD2-CD1 3.41Å; H1926-I1930 WeakPolarHBondContact O-CB 2.93Å; H1926-I1930 WeakPolarHBondContact O-CG1 3.45Å; H1926-I1930 PolarHBondContact O-N 3.32Å
1927	Q	68	Low	66.2	Low	55 Å²	55	84.4 Å²	84.4	26%	0.257	41%	0.406	S	S	.	.	H	α-helix	trans	-64.5	-46.8	166.4	-83.2	-177	87.3	0	0	112.5	N904 E1923 Q1925 Y1929 I1930 V1931	N904-Q1927 HydrophobicContact CB-CG 3.29Å; N904-Q1927 VanDerWaalsContact OD1-CD 3.23Å; N904-Q1927 PolarHBondContact OD1-OE1 2.91Å; E1923-Q1927 WeakPolarHBondContact O-CB 3.23Å; E1923-Q1927 WeakPolarHBondContact O-CG 3.39Å; E1923-Q1927 PolarHBondContact O-N 3.46Å; E1923-Q1927 PolarHBondContact O-NE2 2.72Å; E1923-Q1927 PolarHBondContact OE2-NE2 2.69Å; Q1925-Q1927 VanDerWaalsContact C-N 3.33Å; Q1925-Q1927 PolarHBondContact O-N 3.06Å; Q1927-Y1929 PolarHBondContact O-N 2.85Å; Q1927-I1930 PolarHBondContact O-N 2.97Å; Q1927-V1931 WeakPolarHBondContact O-CA 3.38Å; Q1927-V1931 WeakPolarHBondContact O-CB 3.4Å; Q1927-V1931 WeakPolarHBondContact O-CG2 3.43Å; Q1927-V1931 PolarHBondContact O-N 3.03Å
1928	A	71.5	Confident	67.1	Low	43 Å²	43	85.2 Å²	85.2	36%	0.355	41%	0.411	S	S	.	.	H	α-helix	trans	-63	-35.9	179.4	0	0	0	0	0	110.3	E1924 Q1925 N1932	E1924-A1928 WeakPolarHBondContact O-CA 3.48Å; E1924-A1928 WeakPolarHBondContact O-CB 3.45Å; E1924-A1928 PolarHBondContact O-N 2.99Å; Q1925-A1928 CarbonylContact O-C 3.56Å; Q1925-A1928 PolarHBondContact O-N 3.38Å; A1928-N1932 WeakPolarHBondContact O-CA 3.42Å; A1928-N1932 WeakPolarHBondContact O-CB 3.44Å; A1928-N1932 PolarHBondContact O-N 2.68Å; A1928-N1932 PolarHBondContact O-ND2 2.66Å; A1928-N1932 VanDerWaalsContact O-ND2 3.09Å
1929	Y	73.4	Confident	67.9	Low	134 Å²	134	83.7 Å²	83.7	53%	0.525	41%	0.412	S	S	.	.	H	α-helix	trans	-64.1	-60.7	171.4	-175.9	-109.6	0	0	0	110.8	Q1925 Q1927 V1931 N1932 E1933	Q1925-Y1929 WeakPolarHBondContact O-CB 3.42Å; Q1925-Y1929 PolarHBondContact O-N 2.94Å; Q1927-Y1929 PolarHBondContact O-N 2.85Å; Y1929-V1931 PolarHBondContact O-N 2.87Å; Y1929-V1931 VanDerWaalsContact O-N 3.14Å; Y1929-N1932 CarbonylContact O-C 3.33Å; Y1929-N1932 PolarHBondContact O-N 3.34Å; Y1929-E1933 HydrophobicContact CE1-CG 4.49Å; Y1929-E1933 WeakPolarHBondContact O-CB 3.49Å; Y1929-E1933 PolarHBondContact O-N 2.83Å
1930	I	70.9	Confident	68.4	Low	80 Å²	80	86.8 Å²	86.8	41%	0.41	42%	0.421	S	S	.	.	H	α-helix	trans	-52.9	-40.7	176.1	-73	179.5	0	0	0	111.3	H1926 Q1927 A1934	H1926-I1930 VanDerWaalsContact CD2-CD1 3.46Å; H1926-I1930 WeakPolarHBondContact CD2-CD1 3.41Å; H1926-I1930 WeakPolarHBondContact O-CB 2.93Å; H1926-I1930 WeakPolarHBondContact O-CG1 3.45Å; H1926-I1930 PolarHBondContact O-N 3.32Å; Q1927-I1930 PolarHBondContact O-N 2.97Å; I1930-A1934 WeakPolarHBondContact O-CA 3.48Å; I1930-A1934 WeakPolarHBondContact O-CB 3.49Å; I1930-A1934 PolarHBondContact O-N 3.32Å
1931	V	76.4	Confident	68.8	Low	68 Å²	68	88.6 Å²	88.6	41%	0.412	43%	0.427	S	S	.	.	H	α-helix	trans	-75.8	-30.2	179.7	169.5	0	0	0	0	111.9	Q1927 Y1929 K1935	Q1927-V1931 WeakPolarHBondContact O-CA 3.38Å; Q1927-V1931 WeakPolarHBondContact O-CB 3.4Å; Q1927-V1931 WeakPolarHBondContact O-CG2 3.43Å; Q1927-V1931 PolarHBondContact O-N 3.03Å; Y1929-V1931 PolarHBondContact O-N 2.87Å; Y1929-V1931 VanDerWaalsContact O-N 3.14Å; V1931-K1935 HydrophobicContact CG1-CD 4.41Å; V1931-K1935 VanDerWaalsContact CG1-CE 3.45Å; V1931-K1935 VanDerWaalsContact O-CB 3.23Å; V1931-K1935 WeakPolarHBondContact O-CB 3.33Å; V1931-K1935 WeakPolarHBondContact O-CD 3.46Å; V1931-K1935 WeakPolarHBondContact O-CG 3.35Å; V1931-K1935 PolarHBondContact O-N 2.74Å
1932	N	73.2	Confident	69.2	Low	70 Å²	70	95 Å²	95	37%	0.374	45%	0.448	S	S	.	.	H	α-helix	trans	-83.2	-31.6	175.4	-72.6	-25.7	0	0	0	112.3	A1928 Y1929 K1935 R1936	A1928-N1932 WeakPolarHBondContact O-CA 3.42Å; A1928-N1932 WeakPolarHBondContact O-CB 3.44Å; A1928-N1932 PolarHBondContact O-N 2.68Å; A1928-N1932 PolarHBondContact O-ND2 2.66Å; A1928-N1932 VanDerWaalsContact O-ND2 3.09Å; Y1929-N1932 CarbonylContact O-C 3.33Å; Y1929-N1932 PolarHBondContact O-N 3.34Å; N1932-K1935 CarbonylContact O-C 3.55Å; N1932-K1935 PolarHBondContact O-N 2.81Å; N1932-K1935 WeakPolarHBondContact OD1-CD 3.21Å; N1932-K1935 PolarHBondContact OD1-NZ 3.32Å; N1932-R1936 VanDerWaalsContact O-CB 3.24Å; N1932-R1936 WeakPolarHBondContact O-CB 3.23Å; N1932-R1936 WeakPolarHBondContact O-CG 3.14Å; N1932-R1936 PolarHBondContact O-N 2.8Å
1933	E	75.5	Confident	69.3	Low	41 Å²	41	90.7 Å²	90.7	19%	0.192	44%	0.437	C	S	.	.	H	α-helix	trans	-74.1	-43.4	173.1	-154.6	-71.7	137	0	0	108.9	Y1929 R1936 K1937	Y1929-E1933 HydrophobicContact CE1-CG 4.49Å; Y1929-E1933 WeakPolarHBondContact O-CB 3.49Å; Y1929-E1933 PolarHBondContact O-N 2.83Å; E1933-R1936 CarbonylContact O-C 3.12Å; E1933-R1936 WeakPolarHBondContact O-CB 3.36Å; E1933-R1936 PolarHBondContact O-N 3.38Å; E1933-R1936 VanDerWaalsContact O-N 3.16Å; E1933-K1937 VanDerWaalsContact CD-CE 3.48Å; E1933-K1937 WeakPolarHBondContact O-CB 2.84Å; E1933-K1937 WeakPolarHBondContact O-CG 3.41Å; E1933-K1937 PolarHBondContact O-N 3.2Å; E1933-K1937 WeakPolarHBondContact OE1-CD 3.28Å; E1933-K1937 WeakPolarHBondContact OE1-CE 3.47Å; E1933-K1937 IonicContact OE1-NZ 2.89Å; E1933-K1937 PolarHBondContact OE1-NZ 2.98Å; E1933-K1937 VanDerWaalsContact OE1-NZ 3.11Å; E1933-K1937 VanDerWaalsContact OE2-CD 3.25Å; E1933-K1937 WeakPolarHBondContact OE2-CD 3.33Å; E1933-K1937 WeakPolarHBondContact OE2-CE 3.47Å; E1933-K1937 IonicContact OE2-NZ 3.14Å; E1933-K1937 PolarHBondContact OE2-NZ 2.96Å
1934	A	69.5	Low	69	Low	49 Å²	49	97.4 Å²	97.4	41%	0.405	47%	0.465	S	S	.	.	H	α-helix	trans	-63.6	-37.6	165.8	0	0	0	0	0	112.7	I1930 L1938	I1930-A1934 WeakPolarHBondContact O-CA 3.48Å; I1930-A1934 WeakPolarHBondContact O-CB 3.49Å; I1930-A1934 PolarHBondContact O-N 3.32Å; A1934-L1938 WeakPolarHBondContact O-CB 3.45Å; A1934-L1938 PolarHBondContact O-N 3.46Å
1935	K	74.5	Confident	68.3	Low	104 Å²	104	100 Å²	100	45%	0.452	48%	0.481	S	S	.	.	H	α-helix	trans	-64.9	-41.4	169.3	-79.5	164.8	-154.8	151.5	0	110.9	V1931 N1932 L1938 I1939	V1931-K1935 HydrophobicContact CG1-CD 4.41Å; V1931-K1935 VanDerWaalsContact CG1-CE 3.45Å; V1931-K1935 VanDerWaalsContact O-CB 3.23Å; V1931-K1935 WeakPolarHBondContact O-CB 3.33Å; V1931-K1935 WeakPolarHBondContact O-CD 3.46Å; V1931-K1935 WeakPolarHBondContact O-CG 3.35Å; V1931-K1935 PolarHBondContact O-N 2.74Å; N1932-K1935 CarbonylContact O-C 3.55Å; N1932-K1935 PolarHBondContact O-N 2.81Å; N1932-K1935 WeakPolarHBondContact OD1-CD 3.21Å; N1932-K1935 PolarHBondContact OD1-NZ 3.32Å; K1935-L1938 CarbonylContact O-C 3.51Å; K1935-L1938 PolarHBondContact O-N 3.02Å; K1935-I1939 VanDerWaalsContact O-CB 3.23Å; K1935-I1939 WeakPolarHBondContact O-CB 3.37Å; K1935-I1939 WeakPolarHBondContact O-CD1 3.46Å; K1935-I1939 WeakPolarHBondContact O-CG1 3.42Å; K1935-I1939 PolarHBondContact O-N 2.68Å
1936	R	67.7	Low	67.7	Low	150 Å²	150	105.1 Å²	105.1	57%	0.566	50%	0.496	S	S	*	.	H	α-helix	trans	-63.7	-46	177.6	-79.2	165	175	-169.5	0.5	109.5	N1932 E1933 I1939 R1940	N1932-R1936 VanDerWaalsContact O-CB 3.24Å; N1932-R1936 WeakPolarHBondContact O-CB 3.23Å; N1932-R1936 WeakPolarHBondContact O-CG 3.14Å; N1932-R1936 PolarHBondContact O-N 2.8Å; E1933-R1936 CarbonylContact O-C 3.12Å; E1933-R1936 WeakPolarHBondContact O-CB 3.36Å; E1933-R1936 PolarHBondContact O-N 3.38Å; E1933-R1936 VanDerWaalsContact O-N 3.16Å; R1936-I1939 PolarHBondContact O-N 2.66Å; R1936-R1940 WeakPolarHBondContact O-CB 3.49Å; R1936-R1940 VanDerWaalsContact O-CG 3.28Å; R1936-R1940 WeakPolarHBondContact O-CG 3.42Å; R1936-R1940 PolarHBondContact O-N 2.74Å
1937	K	71	Confident	66.8	Low	107 Å²	107	105.6 Å²	105.6	47%	0.465	50%	0.499	S	S	.	.	H	α-helix	trans	-59.5	-47.5	169.9	-77.3	172.4	172.7	149.3	0	111.5	E1933 I1939 R1940 I1941	E1933-K1937 VanDerWaalsContact CD-CE 3.48Å; E1933-K1937 WeakPolarHBondContact O-CB 2.84Å; E1933-K1937 WeakPolarHBondContact O-CG 3.41Å; E1933-K1937 PolarHBondContact O-N 3.2Å; E1933-K1937 WeakPolarHBondContact OE1-CD 3.28Å; E1933-K1937 WeakPolarHBondContact OE1-CE 3.47Å; E1933-K1937 IonicContact OE1-NZ 2.89Å; E1933-K1937 PolarHBondContact OE1-NZ 2.98Å; E1933-K1937 VanDerWaalsContact OE1-NZ 3.11Å; E1933-K1937 VanDerWaalsContact OE2-CD 3.25Å; E1933-K1937 WeakPolarHBondContact OE2-CD 3.33Å; E1933-K1937 WeakPolarHBondContact OE2-CE 3.47Å; E1933-K1937 IonicContact OE2-NZ 3.14Å; E1933-K1937 PolarHBondContact OE2-NZ 2.96Å; K1937-I1939 VanDerWaalsContact C-N 3.32Å; K1937-I1939 PolarHBondContact O-N 2.82Å; K1937-R1940 PolarHBondContact O-N 2.77Å; K1937-I1941 WeakPolarHBondContact O-CB 3.4Å; K1937-I1941 WeakPolarHBondContact O-CD1 3.45Å; K1937-I1941 VanDerWaalsContact O-CG1 3.23Å; K1937-I1941 WeakPolarHBondContact O-CG1 3.1Å; K1937-I1941 PolarHBondContact O-N 3.48Å
1938	L	71.6	Confident	65.7	Low	96 Å²	96	105.9 Å²	105.9	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-67.2	-29.6	178	-159.8	82	0	0	0	112.6	A1934 K1935 R1942	A1934-L1938 WeakPolarHBondContact O-CB 3.45Å; A1934-L1938 PolarHBondContact O-N 3.46Å; K1935-L1938 CarbonylContact O-C 3.51Å; K1935-L1938 PolarHBondContact O-N 3.02Å; L1938-R1942 WeakPolarHBondContact O-CB 3.43Å; L1938-R1942 PolarHBondContact O-N 3.14Å
1939	I	69.6	Low	64.2	Low	113 Å²	113	109.9 Å²	109.9	58%	0.579	52%	0.52	S	S	*	.	H	α-helix	trans	-74.6	-43.9	172.9	-73.4	164.1	0	0	0	109.9	K1935 R1936 K1937 I1941 R1942 A1943	K1935-I1939 VanDerWaalsContact O-CB 3.23Å; K1935-I1939 WeakPolarHBondContact O-CB 3.37Å; K1935-I1939 WeakPolarHBondContact O-CD1 3.46Å; K1935-I1939 WeakPolarHBondContact O-CG1 3.42Å; K1935-I1939 PolarHBondContact O-N 2.68Å; R1936-I1939 PolarHBondContact O-N 2.66Å; K1937-I1939 VanDerWaalsContact C-N 3.32Å; K1937-I1939 PolarHBondContact O-N 2.82Å; I1939-I1941 VanDerWaalsContact C-N 3.33Å; I1939-I1941 PolarHBondContact O-N 3.4Å; I1939-R1942 CarbonylContact O-C 3.31Å; I1939-R1942 PolarHBondContact O-N 2.9Å; I1939-A1943 VanDerWaalsContact O-CB 3.24Å; I1939-A1943 WeakPolarHBondContact O-CB 3.29Å; I1939-A1943 PolarHBondContact O-N 3.14Å
1940	R	66.2	Low	62.8	Low	138 Å²	138	107.2 Å²	107.2	52%	0.521	52%	0.519	S	S	.	.	H	α-helix	trans	-57	-45.9	170.6	-70.2	174.4	-158.3	174.3	9.5	110.9	R1936 K1937 A1943 K1944	R1936-R1940 WeakPolarHBondContact O-CB 3.49Å; R1936-R1940 VanDerWaalsContact O-CG 3.28Å; R1936-R1940 WeakPolarHBondContact O-CG 3.42Å; R1936-R1940 PolarHBondContact O-N 2.74Å; K1937-R1940 PolarHBondContact O-N 2.77Å; R1940-A1943 PolarHBondContact O-N 3.37Å; R1940-K1944 WeakPolarHBondContact O-CB 3.42Å; R1940-K1944 WeakPolarHBondContact O-CG 3.23Å; R1940-K1944 PolarHBondContact O-N 3.18Å
1941	I	67.2	Low	61.1	Low	91 Å²	91	107.2 Å²	107.2	47%	0.467	52%	0.516	S	S	.	.	H	α-helix	trans	-64.5	-46.1	175.9	-69.7	163.3	0	0	0	110.9	K1937 I1939 A1943 K1944 L1945	K1937-I1941 WeakPolarHBondContact O-CB 3.4Å; K1937-I1941 WeakPolarHBondContact O-CD1 3.45Å; K1937-I1941 VanDerWaalsContact O-CG1 3.23Å; K1937-I1941 WeakPolarHBondContact O-CG1 3.1Å; K1937-I1941 PolarHBondContact O-N 3.48Å; I1939-I1941 VanDerWaalsContact C-N 3.33Å; I1939-I1941 PolarHBondContact O-N 3.4Å; I1941-A1943 VanDerWaalsContact C-N 3.29Å; I1941-A1943 PolarHBondContact O-N 3.08Å; I1941-K1944 PolarHBondContact O-N 2.85Å; I1941-L1945 HydrophobicContact CG2-CD1 3.73Å; I1941-L1945 HydrophobicContact CG2-CG 4.4Å; I1941-L1945 VanDerWaalsContact O-CB 3.31Å; I1941-L1945 WeakPolarHBondContact O-CB 3.24Å; I1941-L1945 VanDerWaalsContact O-CG 3.25Å; I1941-L1945 WeakPolarHBondContact O-CG 3.21Å; I1941-L1945 PolarHBondContact O-N 2.67Å
1942	R	67.6	Low	59.3	Low	162 Å²	162	111.2 Å²	111.2	61%	0.611	54%	0.535	S	S	*	.	H	α-helix	trans	-72.6	-18.9	-179.9	-176.6	173.8	-101.9	155.8	-3.5	113.6	L1938 I1939 R1946	L1938-R1942 WeakPolarHBondContact O-CB 3.43Å; L1938-R1942 PolarHBondContact O-N 3.14Å; I1939-R1942 CarbonylContact O-C 3.31Å; I1939-R1942 PolarHBondContact O-N 2.9Å; R1942-R1946 WeakPolarHBondContact O-CB 3.31Å
1943	A	58.6	Low	57.4	Low	55 Å²	55	112.9 Å²	112.9	46%	0.455	55%	0.548	S	S	.	.	H	α-helix	trans	-77.8	-51.9	166.8	0	0	0	0	0	110.6	I1939 R1940 I1941 L1945 R1946	I1939-A1943 VanDerWaalsContact O-CB 3.24Å; I1939-A1943 WeakPolarHBondContact O-CB 3.29Å; I1939-A1943 PolarHBondContact O-N 3.14Å; R1940-A1943 PolarHBondContact O-N 3.37Å; I1941-A1943 VanDerWaalsContact C-N 3.29Å; I1941-A1943 PolarHBondContact O-N 3.08Å; A1943-L1945 PolarHBondContact O-N 3.1Å; A1943-L1945 VanDerWaalsContact O-N 3.11Å; A1943-R1946 WeakPolarHBondContact O-CB 3.37Å; A1943-R1946 PolarHBondContact O-N 3.39Å
1944	K	58.1	Low	55.4	Low	183 Å²	183	117.5 Å²	117.5	80%	0.796	57%	0.573	S	S	*	*	H	α-helix	trans	-53.4	-31.9	172.2	-74.6	-179.2	176.6	-174.4	0	112.6	R1940 I1941	R1940-K1944 WeakPolarHBondContact O-CB 3.42Å; R1940-K1944 WeakPolarHBondContact O-CG 3.23Å; R1940-K1944 PolarHBondContact O-N 3.18Å; I1941-K1944 PolarHBondContact O-N 2.85Å
1945	L	57.8	Low	53.6	Low	141 Å²	141	124 Å²	124	74%	0.738	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	12	175.8	-70.7	171.7	0	0	0	115.3	I1941 A1943	I1941-L1945 HydrophobicContact CG2-CD1 3.73Å; I1941-L1945 HydrophobicContact CG2-CG 4.4Å; I1941-L1945 VanDerWaalsContact O-CB 3.31Å; I1941-L1945 WeakPolarHBondContact O-CB 3.24Å; I1941-L1945 VanDerWaalsContact O-CG 3.25Å; I1941-L1945 WeakPolarHBondContact O-CG 3.21Å; I1941-L1945 PolarHBondContact O-N 2.67Å; A1943-L1945 PolarHBondContact O-N 3.1Å; A1943-L1945 VanDerWaalsContact O-N 3.11Å
1946	R	49.8	Very low	51.5	Low	210 Å²	210	122.8 Å²	122.8	79%	0.792	60%	0.604	S	S	*	*	S	Bend	trans	-116.8	-9.1	-173.8	-113	-175.6	-179.5	-169.3	2.5	117.4	R1942 A1943	R1942-R1946 WeakPolarHBondContact O-CB 3.31Å; A1943-R1946 WeakPolarHBondContact O-CB 3.37Å; A1943-R1946 PolarHBondContact O-N 3.39Å
1947	E	43.9	Very low	49.7	Very low	128 Å²	128	123.2 Å²	123.2	60%	0.598	62%	0.616	S	S	*	*			trans	-94.1	161.2	-174.7	-78.4	-162.1	-120.7	0	0	115.3
1948	P	46.5	Very low	48.1	Very low	61 Å²	61	123.1 Å²	123.1	40%	0.396	63%	0.626	S	S	.	*			trans	-123	99.4	-152.3	24.6	-0.8	0	0	0	115.9	N1963 D1964 N1965	P1948-N1963 VanDerWaalsContact C-CA 3.49Å; P1948-D1964 CarbonylContact O-C 3.48Å; P1948-D1964 PolarHBondContact O-N 2.89Å; P1948-N1965 PolarHBondContact O-N 3.44Å; P1948-N1965 VanDerWaalsContact O-N 3.09Å
1949	L	38.7	Very low	46	Very low	126 Å²	126	122.9 Å²	122.9	66%	0.66	63%	0.633	S	S	*	*			trans	-57	-177.4	177.9	-71.7	171.2	0	0	0	120	N1963 D1964 N1965	L1949-N1963 HydrophobicContact CB-CB 4.49Å; L1949-N1963 VanDerWaalsContact CB-OD1 3.25Å; L1949-N1963 WeakPolarHBondContact CB-OD1 3.47Å; L1949-N1963 CarbonylContact O-C 3.39Å; L1949-N1963 WeakPolarHBondContact O-CA 3.44Å; L1949-N1963 WeakPolarHBondContact O-CB 3.36Å; L1949-N1963 PolarHBondContact O-ND2 3.44Å; L1949-N1963 VanDerWaalsContact O-ND2 3.08Å; L1949-N1963 PolarHBondContact O-OD1 2.97Å; L1949-D1964 WeakPolarHBondContact O-CA 3.49Å; L1949-D1964 PolarHBondContact O-N 3.38Å; L1949-N1965 PolarHBondContact O-N 2.95Å
1950	P	43.7	Very low	44.5	Very low	79 Å²	79	126.9 Å²	126.9	51%	0.513	65%	0.646	S	S	.	*			trans	-85.6	148.8	-172.2	-12.8	30.1	0	0	0	118.8	N1963 N1965	P1950-N1963 PolarHBondContact O-ND2 2.92Å; P1950-N1963 PolarHBondContact O-OD1 3.41Å; P1950-N1965 HydrophobicContact CB-CB 4.27Å; P1950-N1965 HydrophobicContact CG-CB 3.96Å
1951	K	35.8	Very low	42.9	Very low	79 Å²	79	124.1 Å²	124.1	34%	0.343	64%	0.642	S	S	.	*			trans	-87.3	151	-177.4	-83.2	175.4	-176.1	146.5	0	116.4	F1962 N1963 D1964	K1951-F1962 HydrophobicContact CD-CD1 3.99Å; K1951-F1962 HydrophobicContact CD-CE1 3.92Å; K1951-F1962 HydrophobicContact CD-CZ 4.38Å; K1951-F1962 HydrophobicContact CG-CD1 3.7Å; K1951-F1962 HydrophobicContact CG-CE1 3.62Å; K1951-F1962 HydrophobicContact CG-CZ 4.48Å; K1951-N1963 VanDerWaalsContact CE-O 3.32Å; K1951-N1963 WeakPolarHBondContact CE-O 3.48Å; K1951-N1963 WeakPolarHBondContact CG-O 3.49Å; K1951-N1963 PolarHBondContact N-ND2 3.41Å; K1951-D1964 VanDerWaalsContact CD-OD1 3.26Å; K1951-D1964 WeakPolarHBondContact CD-OD1 3.42Å; K1951-D1964 WeakPolarHBondContact CE-OD1 3.41Å; K1951-D1964 IonicContact NZ-OD1 2.77Å; K1951-D1964 PolarHBondContact NZ-OD1 3.49Å; K1951-D1964 IonicContact NZ-OD2 3.87Å; K1951-D1964 PolarHBondContact NZ-OD2 3.44Å
1952	N	38.7	Very low	41.3	Very low	153 Å²	153	125.5 Å²	125.5	82%	0.818	65%	0.645	S	S	*	*			trans	89.6	140.8	169.2	-55.3	-77.8	0	0	0	115.6
1953	T	34.1	Very low	39.7	Very low	104 Å²	104	120 Å²	120	64%	0.638	63%	0.627	S	S	*	*			cis	-161.2	121.4	-4.6	-117	0	0	0	0	114.6
1954	I	32.5	Very low	38.6	Very low	138 Å²	138	121.7 Å²	121.7	71%	0.708	63%	0.629	S	S	*	*			trans	72.6	122.3	143	-56.6	174.6	0	0	0	121.4
1955	Q	31.4	Very low	37.4	Very low	186 Å²	186	117.8 Å²	117.8	87%	0.869	62%	0.617	S	S	*	*	S	Bend	trans	89.8	108	174.9	-69.3	157.5	117.3	0	0	114.8
1956	A	31.2	Very low	36.3	Very low	79 Å²	79	119 Å²	119	65%	0.653	62%	0.621	S	S	*	*	S	Bend	cis	-158.4	120.2	3.1	0	0	0	0	0	116.5
1957	I	29.7	Very low	35.4	Very low	159 Å²	159	113.2 Å²	113.2	82%	0.815	61%	0.605	S	S	*	*	S	Bend	trans	68.1	124.4	142.6	-52.3	163.5	0	0	0	117.2
1958	P	36.7	Very low	34.5	Very low	104 Å²	104	113.7 Å²	113.7	68%	0.675	61%	0.612	S	S	*	*			cis	-128	114	-17.8	34.2	-14.8	0	0	0	112.5
1959	S	28.6	Very low	33.7	Very low	92 Å²	92	117 Å²	117	64%	0.643	63%	0.627	S	S	*	*				52.1	75.6	81.4	79.5	0	0	0	0	115.7
1960	F	37.5	Very low	33.2	Very low	196 Å²	196	115.7 Å²	115.7	86%	0.86	63%	0.626	S	S	*	*			trans	-142.5	99	134	-134.6	-95.9	0	0	0	106.3
1961	D	31.8	Very low	32.4	Very low	81 Å²	81	118.9 Å²	118.9	43%	0.433	64%	0.638	S	S	.	*				64.5	114.3	67.5	-65.4	15.4	0	0	0	110.9
1962	F	34.2	Very low	32	Very low	120 Å²	120	122.8 Å²	122.8	53%	0.526	66%	0.657	S	S	.	*			cis	-144.3	152.7	-8	-83.2	-63	0	0	0	109.8	K1951	K1951-F1962 HydrophobicContact CD-CD1 3.99Å; K1951-F1962 HydrophobicContact CD-CE1 3.92Å; K1951-F1962 HydrophobicContact CD-CZ 4.38Å; K1951-F1962 HydrophobicContact CG-CD1 3.7Å; K1951-F1962 HydrophobicContact CG-CE1 3.62Å; K1951-F1962 HydrophobicContact CG-CZ 4.48Å
1963	N	35	Very low	31.6	Very low	46 Å²	46	122.4 Å²	122.4	25%	0.246	65%	0.65	C	S	.	*			cis	74.9	74.7	17.8	-176.4	119.9	0	0	0	115	P1948 L1949 P1950 K1951	P1948-N1963 VanDerWaalsContact C-CA 3.49Å; L1949-N1963 HydrophobicContact CB-CB 4.49Å; L1949-N1963 VanDerWaalsContact CB-OD1 3.25Å; L1949-N1963 WeakPolarHBondContact CB-OD1 3.47Å; L1949-N1963 CarbonylContact O-C 3.39Å; L1949-N1963 WeakPolarHBondContact O-CA 3.44Å; L1949-N1963 WeakPolarHBondContact O-CB 3.36Å; L1949-N1963 PolarHBondContact O-ND2 3.44Å; L1949-N1963 VanDerWaalsContact O-ND2 3.08Å; L1949-N1963 PolarHBondContact O-OD1 2.97Å; P1950-N1963 PolarHBondContact O-ND2 2.92Å; P1950-N1963 PolarHBondContact O-OD1 3.41Å; K1951-N1963 VanDerWaalsContact CE-O 3.32Å; K1951-N1963 WeakPolarHBondContact CE-O 3.48Å; K1951-N1963 WeakPolarHBondContact CG-O 3.49Å; K1951-N1963 PolarHBondContact N-ND2 3.41Å
1964	D	34.6	Very low	31.3	Very low	90 Å²	90	123 Å²	123	48%	0.481	65%	0.65	S	S	.	*			trans	-147.3	86.2	163	-86.2	-38.1	0	0	0	113.7	P1948 L1949 K1951	P1948-D1964 CarbonylContact O-C 3.48Å; P1948-D1964 PolarHBondContact O-N 2.89Å; L1949-D1964 WeakPolarHBondContact O-CA 3.49Å; L1949-D1964 PolarHBondContact O-N 3.38Å; K1951-D1964 VanDerWaalsContact CD-OD1 3.26Å; K1951-D1964 WeakPolarHBondContact CD-OD1 3.42Å; K1951-D1964 WeakPolarHBondContact CE-OD1 3.41Å; K1951-D1964 IonicContact NZ-OD1 2.77Å; K1951-D1964 PolarHBondContact NZ-OD1 3.49Å; K1951-D1964 IonicContact NZ-OD2 3.87Å; K1951-D1964 PolarHBondContact NZ-OD2 3.44Å
1965	N	32.9	Very low	31.2	Very low	102 Å²	102	121.5 Å²	121.5	55%	0.545	64%	0.643	S	S	.	*			trans	-51.8	133.3	153.9	155.3	-10.9	0	0	0	111.3	P1948 L1949 P1950	P1948-N1965 PolarHBondContact O-N 3.44Å; P1948-N1965 VanDerWaalsContact O-N 3.09Å; L1949-N1965 PolarHBondContact O-N 2.95Å; P1950-N1965 HydrophobicContact CB-CB 4.27Å; P1950-N1965 HydrophobicContact CG-CB 3.96Å
1966	M	34.7	Very low	31	Very low	166 Å²	166	121 Å²	121	82%	0.818	64%	0.641	S	S	*	*			trans	-160.5	159.2	157.5	-83.7	-144.8	176.8	0	0	112.8
1967	N	30.8	Very low	31	Very low	88 Å²	88	122.9 Å²	122.9	47%	0.471	64%	0.636	S	S	.	*			cis	175.4	108	-22.6	172.9	112.6	0	0	0	107.9
1968	D	25.2	Very low	31.1	Very low	138 Å²	138	122.8 Å²	122.8	74%	0.738	63%	0.632	S	S	*	*			trans	51.4	-165.1	166.4	-43.7	-41.5	0	0	0	117.2
1969	N	29.5	Very low	31	Very low	132 Å²	132	124.1 Å²	124.1	71%	0.706	63%	0.633	S	S	*	*			trans	91.5	139.2	140.7	-81.6	-48.2	0	0	0	118.7
1970	P	28.2	Very low	31.4	Very low	98 Å²	98	122.4 Å²	122.4	64%	0.636	63%	0.625	S	S	*	*				-146.2	-135.2	-114	42.5	-20.8	0	0	0	111.4	H1972	P1970-H1972 VanDerWaalsContact C-N 3.3Å; P1970-H1972 PolarHBondContact O-N 3.42Å
1971	D	27.3	Very low	31.3	Very low	145 Å²	145	118.8 Å²	118.8	78%	0.775	61%	0.614	S	S	*	*			trans	-29.3	87.4	141.2	-89.4	-35.4	0	0	0	113.4
1972	H	27.9	Very low	31.3	Very low	161 Å²	161	120.4 Å²	120.4	75%	0.745	62%	0.619	S	S	*	*			trans	-169.5	97.6	133.8	-95.2	-47.7	0	0	0	112.7	P1970	P1970-H1972 VanDerWaalsContact C-N 3.3Å; P1970-H1972 PolarHBondContact O-N 3.42Å
1973	H	29.5	Very low	31.2	Very low	145 Å²	145	121 Å²	121	67%	0.671	63%	0.627	S	S	*	*				86.3	107.8	88	-101.7	-107	0	0	0	116.7
1974	N	27.8	Very low	31.2	Very low	118 Å²	118	125.9 Å²	125.9	63%	0.631	65%	0.646	S	S	*	*				79.7	109.5	104.8	170.5	69.6	0	0	0	119.8
1975	N	31.3	Very low	31.1	Very low	105 Å²	105	126 Å²	126	56%	0.561	66%	0.655	S	S	*	*			trans	77.9	138.1	175.8	-48.6	-79.8	0	0	0	114	H1977	N1975-H1977 PolarHBondContact OD1-CE1 2.68Å; N1975-H1977 PolarHBondContact OD1-ND1 2.93Å
1976	Q	27.2	Very low	31.1	Very low	177 Å²	177	129.8 Å²	129.8	83%	0.827	67%	0.666	S	S	*	*	S	Bend	cis	-139.3	148.6	33.5	-65.4	179.5	47.6	0	0	111.9
1977	H	31.2	Very low	30.9	Very low	117 Å²	117	127.3 Å²	127.3	54%	0.542	66%	0.66	S	S	.	*			cis	-168.1	148.1	-8.8	-117.4	-30.9	0	0	0	111.2	N1975	N1975-H1977 PolarHBondContact OD1-CE1 2.68Å; N1975-H1977 PolarHBondContact OD1-ND1 2.93Å
1978	Q	31.4	Very low	30.9	Very low	158 Å²	158	132.5 Å²	132.5	74%	0.738	68%	0.679	S	S	*	*			trans	71.5	135.5	163.4	-58.1	167	94.5	0	0	116.6
1979	N	35.4	Very low	31	Very low	131 Å²	131	130.7 Å²	130.7	70%	0.701	68%	0.677	S	S	*	*			cis	-157	150.3	-12.6	-98.9	-28.8	0	0	0	108.4
1980	A	36.5	Very low	31	Very low	56 Å²	56	130.2 Å²	130.2	46%	0.463	68%	0.678	S	S	.	*			cis	161.7	132	-15.2	0	0	0	0	0	106.7
1981	N	34.6	Very low	31.1	Very low	120 Å²	120	132.2 Å²	132.2	64%	0.642	68%	0.684	S	S	*	*				86.9	106.6	127.5	-69.6	29.1	0	0	0	122
1982	E	32.2	Very low	31.2	Very low	115 Å²	115	129.6 Å²	129.6	54%	0.537	68%	0.677	S	S	.	*				103.4	100.7	101.8	-79.8	-169.2	103.9	0	0	121.2	K1984	E1982-K1984 IonicContact OE1-NZ 2.79Å; E1982-K1984 PolarHBondContact OE1-NZ 2.69Å
1983	L	33.1	Very low	31.4	Very low	133 Å²	133	131.4 Å²	131.4	70%	0.696	68%	0.683	S	S	*	*				74.7	167.1	106.6	-74	-178.1	0	0	0	123.3
1984	K	34.2	Very low	31.5	Very low	148 Å²	148	130 Å²	130	64%	0.643	69%	0.689	S	S	*	*			trans	82.3	76.8	142.7	-79.9	144.7	-173.7	160.6	0	118.5	E1982	E1982-K1984 IonicContact OE1-NZ 2.79Å; E1982-K1984 PolarHBondContact OE1-NZ 2.69Å
1985	S	32.3	Very low	31.8	Very low	94 Å²	94	129 Å²	129	66%	0.657	69%	0.687	S	S	*	*				98.7	155.4	104.3	80.9	0	0	0	0	121.3
1986	K	33.3	Very low	32	Very low	180 Å²	180	132.1 Å²	132.1	78%	0.783	70%	0.698	S	S	*	*			trans	83.3	119.1	150	-74.5	164.9	-176.4	165.3	0	121
1987	T	29.7	Very low	32.7	Very low	115 Å²	115	128.1 Å²	128.1	71%	0.706	69%	0.69	S	S	*	*			trans	72.8	113.4	134.3	56.1	0	0	0	0	121.8
1988	K	30.6	Very low	33.2	Very low	197 Å²	197	125.9 Å²	125.9	86%	0.857	68%	0.682	S	S	*	*			trans	68.7	133.6	130.4	-62.5	-178.7	177.3	-173.9	0	119.9
1989	S	29	Very low	33.7	Very low	100 Å²	100	123.4 Å²	123.4	70%	0.699	67%	0.673	S	S	*	*			trans	77.2	106.8	137.1	172.9	0	0	0	0	119.8
1990	V	29.3	Very low	34.1	Very low	121 Å²	121	120.9 Å²	120.9	73%	0.733	66%	0.659	S	S	*	*			trans	71.1	130.1	135.9	179.9	0	0	0	0	119.1
1991	N	29.6	Very low	34.1	Very low	140 Å²	140	122.7 Å²	122.7	75%	0.749	67%	0.668	S	S	*	*			trans	71.2	107.8	160.4	-88	-42.6	0	0	0	121.8
1992	S	28.6	Very low	34.2	Very low	91 Å²	91	124.1 Å²	124.1	64%	0.636	67%	0.669	S	S	*	*				41.4	128.1	119.6	62.1	0	0	0	0	124
1993	K	32.9	Very low	34.3	Very low	198 Å²	198	122.2 Å²	122.2	86%	0.861	66%	0.662	S	S	*	*			trans	86.6	108	143.9	-71	167.9	177.7	170	0	123.6
1994	S	32	Very low	33.9	Very low	116 Å²	116	121.1 Å²	121.1	81%	0.811	65%	0.654	S	S	*	*				85.2	153.7	118.7	-159	0	0	0	0	124
1995	V	33.5	Very low	33.7	Very low	97 Å²	97	117.8 Å²	117.8	59%	0.588	64%	0.643	S	S	*	*			trans	104.1	97.1	154	-168.6	0	0	0	0	122.3
1996	Q	36.1	Very low	33.7	Very low	170 Å²	170	116.6 Å²	116.6	79%	0.794	63%	0.629	S	S	*	*				48.2	120.1	128	-62.9	177.2	-43.4	0	0	126.6
1997	S	40.5	Very low	33.9	Very low	93 Å²	93	115.3 Å²	115.3	65%	0.65	63%	0.629	S	S	*	*				37.7	154.3	125.6	76	0	0	0	0	124.9
1998	N	42.9	Very low	34.3	Very low	70 Å²	70	115.3 Å²	115.3	37%	0.374	62%	0.619	S	S	.	*				173.6	140.9	127.8	-102.8	-74.4	0	0	0	118.2	H2009	N1998-H2009 WeakPolarHBondContact OD1-CA 3.17Å; N1998-H2009 PolarHBondContact OD1-N 3.47Å
1999	I	41.1	Very low	34.5	Very low	106 Å²	106	110.1 Å²	110.1	54%	0.544	60%	0.598	S	S	.	*			trans	74.2	136.4	144.1	-60.8	156.8	0	0	0	119.8	H2009	I1999-H2009 WeakPolarHBondContact CD1-CE1 3.25Å; I1999-H2009 VanDerWaalsContact CD1-ND1 3.3Å; I1999-H2009 WeakPolarHBondContact CD1-ND1 3.27Å
2000	N	45	Very low	34.4	Very low	78 Å²	78	110.7 Å²	110.7	42%	0.417	59%	0.593	S	S	.	*			cis	-179.3	145.7	-24.9	-96.9	-15.6	0	0	0	109.6	H2009	N2000-H2009 PolarHBondContact ND2-NE2 2.95Å; N2000-H2009 VanDerWaalsContact ND2-NE2 3.13Å
2001	S	36.7	Very low	34.5	Very low	94 Å²	94	107.1 Å²	107.1	66%	0.657	57%	0.574	S	S	*	*			trans	143.3	129	136.4	-70.3	0	0	0	0	111.1
2002	K	35.3	Very low	34.8	Very low	151 Å²	151	105.5 Å²	105.5	66%	0.657	57%	0.565	S	S	*	*	S	Bend	cis	-160.8	150.2	2.8	-99.9	157.9	-171.6	170.8	0	108.7	Q1388	Q1388-K2002 PolarHBondContact OE1-O 2.89Å
2003	N	34.3	Very low	34.8	Very low	74 Å²	74	105.4 Å²	105.4	40%	0.396	56%	0.557	S	S	.	*			cis	-179.9	89.8	-16.1	-118.9	29.8	0	0	0	109.3	N2005	N2003-N2005 WeakPolarHBondContact CB-ND2 2.97Å; N2003-N2005 PolarHBondContact ND2-ND2 2.72Å; N2003-N2005 PolarHBondContact ND2-OD1 2.99Å; N2003-N2005 PolarHBondContact O-ND2 3.22Å; N2003-N2005 PolarHBondContact OD1-OD1 2.98Å; N2003-N2005 VanDerWaalsContact OD1-OD1 3.12Å
2004	Q	26.1	Very low	34.6	Very low	111 Å²	111	105 Å²	105	52%	0.519	56%	0.556	S	S	.	*	S	Bend	trans	-143.4	58.7	146.3	-145	93.5	162.7	0	0	110.5
2005	N	30	Very low	34.5	Very low	78 Å²	78	106.9 Å²	106.9	42%	0.417	55%	0.551	S	S	.	*				68.4	132.3	82.2	-68.9	-26.8	0	0	0	113.5	N2003	N2003-N2005 WeakPolarHBondContact CB-ND2 2.97Å; N2003-N2005 PolarHBondContact ND2-ND2 2.72Å; N2003-N2005 PolarHBondContact ND2-OD1 2.99Å; N2003-N2005 PolarHBondContact O-ND2 3.22Å; N2003-N2005 PolarHBondContact OD1-OD1 2.98Å; N2003-N2005 VanDerWaalsContact OD1-OD1 3.12Å
2006	N	31.6	Very low	34.2	Very low	68 Å²	68	108.7 Å²	108.7	36%	0.364	55%	0.554	S	S	.	*			cis	179.5	150.9	-7.9	-135.1	-60.1	0	0	0	106.1	K2008	N2006-K2008 HydrophobicContact CB-CG 4.12Å; N2006-K2008 WeakPolarHBondContact OD1-CG 3.26Å
2007	I	37.5	Very low	34.7	Very low	153 Å²	153	107 Å²	107	79%	0.785	55%	0.55	S	S	*	*				-169.2	127.7	117.3	-98	146.6	0	0	0	111.2
2008	K	37.5	Very low	34.7	Very low	115 Å²	115	105.6 Å²	105.6	50%	0.5	55%	0.55	S	S	.	.			cis	-175.7	179.3	-21.3	-127.2	177.4	-145.8	132.1	0	108.2	N2006	N2006-K2008 HydrophobicContact CB-CG 4.12Å; N2006-K2008 WeakPolarHBondContact OD1-CG 3.26Å
2009	H	34.5	Very low	34.9	Very low	88 Å²	88	103.3 Å²	103.3	41%	0.407	54%	0.543	S	S	.	.				-14.6	126	127.2	-78.1	-80.9	0	0	0	114.3	N1998 I1999 N2000	N1998-H2009 WeakPolarHBondContact OD1-CA 3.17Å; N1998-H2009 PolarHBondContact OD1-N 3.47Å; I1999-H2009 WeakPolarHBondContact CD1-CE1 3.25Å; I1999-H2009 VanDerWaalsContact CD1-ND1 3.3Å; I1999-H2009 WeakPolarHBondContact CD1-ND1 3.27Å; N2000-H2009 PolarHBondContact ND2-NE2 2.95Å; N2000-H2009 VanDerWaalsContact ND2-NE2 3.13Å
2010	N	27.6	Very low	34.8	Very low	113 Å²	113	101.9 Å²	101.9	60%	0.604	54%	0.537	S	S	*	.			cis	-163.4	156.4	12.8	-60.6	-67.1	0	0	0	105.2
2011	S	31.4	Very low	34.2	Very low	45 Å²	45	104.5 Å²	104.5	32%	0.315	55%	0.546	S	S	.	.				168.7	136.1	71.1	50.2	0	0	0	0	112.9	Q2021	S2011-Q2021 PolarHBondContact O-N 3.4Å; S2011-Q2021 PolarHBondContact OG-N 2.85Å
2012	N	34.9	Very low	33.9	Very low	106 Å²	106	105.1 Å²	105.1	57%	0.567	54%	0.542	S	S	*	.				-119.2	123.2	125.1	-86.1	-42.2	0	0	0	108.5	G2019 N2020	N2012-G2019 CarbonylContact C-O 3.58Å; N2012-G2019 WeakPolarHBondContact CA-O 3.3Å; N2012-G2019 VanDerWaalsContact CB-O 3.23Å; N2012-G2019 WeakPolarHBondContact CB-O 3.48Å; N2012-G2019 PolarHBondContact OD1-O 2.95Å; N2012-N2020 WeakPolarHBondContact OD1-CA 3.4Å; N2012-N2020 PolarHBondContact OD1-N 2.79Å
2013	N	28.8	Very low	33.5	Very low	89 Å²	89	102.7 Å²	102.7	48%	0.476	54%	0.544	S	S	.	.			trans	-66	128.4	164.2	-77.8	-100.6	0	0	0	111	G2019 N2020	N2013-G2019 CarbonylContact C-O 3.59Å; N2013-G2019 VanDerWaalsContact C-O 3.31Å; N2013-G2019 WeakPolarHBondContact CA-O 3.37Å; N2013-G2019 PolarHBondContact N-O 3.06Å; N2013-G2019 CarbonylContact O-C 2.97Å; N2013-G2019 WeakPolarHBondContact O-CA 3.46Å; N2013-N2020 WeakPolarHBondContact CB-O 3.24Å; N2013-N2020 PolarHBondContact N-O 3.25Å; N2013-N2020 PolarHBondContact ND2-O 3.45Å
2014	K	30	Very low	33.4	Very low	190 Å²	190	107.2 Å²	107.2	83%	0.826	56%	0.56	S	S	*	*	S	Bend	trans	74.3	167.5	159.5	-159.5	-164.4	176.2	-159.6	0	113.8
2015	Q	29.6	Very low	33.8	Very low	155 Å²	155	110.4 Å²	110.4	72%	0.724	57%	0.573	S	S	*	*	S	Bend	trans	-43.4	133.8	148.9	-123.3	-175	-19.2	0	0	109.4
2016	E	27.3	Very low	34.2	Very low	136 Å²	136	112.1 Å²	112.1	64%	0.636	59%	0.586	S	S	*	*	S	Bend	cis	-132.7	-101.2	26	-70	155	-148.9	0	0	115.2
2017	N	46.3	Very low	34.5	Very low	135 Å²	135	113.4 Å²	113.4	72%	0.722	60%	0.6	S	S	*	*	S	Bend	cis	40.3	120.2	44.2	-35.4	-49.2	0	0	0	114.8	G2019	N2017-G2019 PolarHBondContact O-N 3.11Å
2018	G	40.3	Very low	35	Very low	62 Å²	62	112.9 Å²	112.9	64%	0.639	59%	0.592	S	S	*	*	S	Bend	trans	62	-125.5	177.4	0	0	0	0	0	111.2
2019	G	47	Very low	35	Very low	23 Å²	23	112 Å²	112	24%	0.237	59%	0.59	C	S	.	*			trans	77.8	28.9	164.6	0	0	0	0	0	116.2	N2012 N2013 N2017	N2012-G2019 CarbonylContact C-O 3.58Å; N2012-G2019 WeakPolarHBondContact CA-O 3.3Å; N2012-G2019 VanDerWaalsContact CB-O 3.23Å; N2012-G2019 WeakPolarHBondContact CB-O 3.48Å; N2012-G2019 PolarHBondContact OD1-O 2.95Å; N2013-G2019 CarbonylContact C-O 3.59Å; N2013-G2019 VanDerWaalsContact C-O 3.31Å; N2013-G2019 WeakPolarHBondContact CA-O 3.37Å; N2013-G2019 PolarHBondContact N-O 3.06Å; N2013-G2019 CarbonylContact O-C 2.97Å; N2013-G2019 WeakPolarHBondContact O-CA 3.46Å; N2017-G2019 PolarHBondContact O-N 3.11Å
2020	N	38.5	Very low	34.7	Very low	76 Å²	76	109.8 Å²	109.8	41%	0.406	59%	0.591	S	S	.	*	S	Bend	trans	43.5	130.5	144.1	-105.8	11.3	0	0	0	120.8	N2012 N2013 N2022	N2012-N2020 WeakPolarHBondContact OD1-CA 3.4Å; N2012-N2020 PolarHBondContact OD1-N 2.79Å; N2013-N2020 WeakPolarHBondContact CB-O 3.24Å; N2013-N2020 PolarHBondContact N-O 3.25Å; N2013-N2020 PolarHBondContact ND2-O 3.45Å; N2020-N2022 WeakPolarHBondContact OD1-CB 3.4Å; N2020-N2022 PolarHBondContact OD1-N 3.1Å; N2020-N2022 PolarHBondContact OD1-ND2 2.78Å
2021	Q	32.6	Very low	35.2	Very low	132 Å²	132	110.8 Å²	110.8	62%	0.617	60%	0.595	S	S	*	*			cis	-115.7	104.6	44.7	-57	-142.7	1.9	0	0	112.8	S2011 S2023	S2011-Q2021 PolarHBondContact O-N 3.4Å; S2011-Q2021 PolarHBondContact OG-N 2.85Å; Q2021-S2023 PolarHBondContact O-N 3.36Å
2022	N	30.9	Very low	35.4	Very low	108 Å²	108	118.1 Å²	118.1	58%	0.578	62%	0.621	S	S	*	*			trans	-57.1	106	159.1	-76.9	-102.2	0	0	0	108.7	N2020	N2020-N2022 WeakPolarHBondContact OD1-CB 3.4Å; N2020-N2022 PolarHBondContact OD1-N 3.1Å; N2020-N2022 PolarHBondContact OD1-ND2 2.78Å
2023	S	26.6	Very low	34.9	Very low	100 Å²	100	116.6 Å²	116.6	70%	0.699	62%	0.619	S	S	*	*			trans	-133.8	108.4	138.5	45	0	0	0	0	107.1	Q2021	Q2021-S2023 PolarHBondContact O-N 3.36Å
2024	K	31.5	Very low	35	Very low	168 Å²	168	117.2 Å²	117.2	73%	0.73	63%	0.626	S	S	*	*				39.3	81.2	62.4	-56.2	178.7	175.8	176.9	0	110.9
2025	K	35.1	Very low	35.2	Very low	178 Å²	178	111.2 Å²	111.2	77%	0.774	62%	0.618	S	S	*	*				-175	120.2	115.2	-97.6	157.1	-178.5	-166.1	0	105.7
2026	T	37.7	Very low	35.9	Very low	115 Å²	115	107.3 Å²	107.3	71%	0.706	61%	0.608	S	S	*	*				47.7	131.9	60.3	77.8	0	0	0	0	111.1
2027	S	38.9	Very low	36.4	Very low	94 Å²	94	105.5 Å²	105.5	66%	0.657	61%	0.608	S	S	*	*			trans	62.4	137	178.2	69.6	0	0	0	0	114.5
2028	K	48.5	Very low	36.2	Very low	143 Å²	143	101 Å²	101	62%	0.622	59%	0.587	S	S	*	*			cis	-179.6	174.3	-3.8	-108.7	-178.9	-138.8	173.3	0	103.7
2029	E	36.2	Very low	36	Very low	96 Å²	96	101.1 Å²	101.1	45%	0.449	57%	0.573	S	S	.	*			trans	65.5	92.3	150.1	-68.5	143.8	-153	0	0	115.2	R1473	R1473-E2029 HydrophobicContact CG-CB 4.3Å; R1473-E2029 PolarHBondContact NE-O 3.02Å; R1473-E2029 PolarHBondContact NH2-O 2.68Å
2030	G	29.6	Very low	35.4	Very low	41 Å²	41	104.5 Å²	104.5	42%	0.423	58%	0.581	S	S	.	*			trans	-60.3	-109.4	176.4	0	0	0	0	0	118.8	R1473	R1473-G2030 PolarHBondContact NE-O 2.76Å; R1473-G2030 PolarHBondContact NH2-O 3.05Å
2031	I	37.2	Very low	35	Very low	135 Å²	135	106.7 Å²	106.7	69%	0.692	59%	0.589	S	S	*	*			trans	87.2	132.9	-160.9	-70.6	166.9	0	0	0	112.6	R1473	R1473-I2031 VanDerWaalsContact CZ-CD1 3.47Å; R1473-I2031 VanDerWaalsContact CZ-CG1 3.49Å
2032	K	34.9	Very low	34.9	Very low	198 Å²	198	103.6 Å²	103.6	86%	0.861	58%	0.582	S	S	*	*			trans	-63.4	171	-168.6	-62	-163.7	174.7	-161.8	0	115.9
2033	S	26.3	Very low	34.9	Very low	74 Å²	74	105.1 Å²	105.1	52%	0.517	59%	0.59	S	S	.	*			trans	99.1	138.7	147.1	74.4	0	0	0	0	123.2	K2050	S2033-K2050 VanDerWaalsContact O-CE 3.29Å; S2033-K2050 WeakPolarHBondContact O-CE 3.49Å; S2033-K2050 PolarHBondContact O-NZ 3.37Å; S2033-K2050 WeakPolarHBondContact OG-CD 3.47Å; S2033-K2050 VanDerWaalsContact OG-CE 3.28Å; S2033-K2050 WeakPolarHBondContact OG-CE 3.46Å; S2033-K2050 VanDerWaalsContact OG-CG 3.25Å; S2033-K2050 WeakPolarHBondContact OG-CG 3.29Å
2034	T	30	Very low	35	Very low	102 Å²	102	107.8 Å²	107.8	63%	0.626	59%	0.591	S	S	*	*			trans	32.1	140.4	165.2	103.4	0	0	0	0	125.5	K2050	T2034-K2050 HydrophobicContact CG2-CG 4.43Å; T2034-K2050 PolarHBondContact O-NZ 2.66Å; T2034-K2050 WeakPolarHBondContact OG1-CE 3.48Å; T2034-K2050 PolarHBondContact OG1-NZ 3.45Å; T2034-K2050 VanDerWaalsContact OG1-NZ 3.17Å
2035	G	34.6	Very low	35	Very low	65 Å²	65	105.2 Å²	105.2	67%	0.67	58%	0.582	S	S	*	*				135.1	114.8	116.6	0	0	0	0	0	120.1
2036	S	44.2	Very low	34.8	Very low	72 Å²	72	103.8 Å²	103.8	50%	0.503	58%	0.578	S	S	.	*			trans	-77.1	177	174.4	-44	0	0	0	0	115	P1392	P1392-S2036 WeakPolarHBondContact O-CB 3.45Å; P1392-S2036 PolarHBondContact O-OG 2.82Å
2037	P	37	Very low	34.4	Very low	98 Å²	98	105 Å²	105	64%	0.636	58%	0.579	S	S	*	*				-157	-171.3	110.6	41.5	-24.5	0	0	0	115.8
2038	S	41.7	Very low	34.1	Very low	41 Å²	41	104.1 Å²	104.1	29%	0.287	57%	0.572	S	S	.	*				175.1	168.8	-50.4	-73.6	0	0	0	0	109.8	P1390 K1391	P1390-S2038 CarbonylContact O-C 3.58Å; P1390-S2038 WeakPolarHBondContact O-CA 3.22Å; K1391-S2038 PolarHBondContact O-OG 2.94Å
2039	L	38.1	Very low	33.3	Very low	65 Å²	65	105.5 Å²	105.5	34%	0.34	58%	0.584	S	S	.	*			trans	88.2	136.8	160.9	-60.9	151.8	0	0	0	115.3	P1390	P1390-L2039 PolarHBondContact O-N 3.14Å
2040	K	33.7	Very low	32.9	Very low	94 Å²	94	105.1 Å²	105.1	41%	0.409	58%	0.581	S	S	.	*	S	Bend	cis	-148.6	144.5	23.6	-58.8	169.1	-175.8	-49.9	0	108.3	N1380 T1381	N1380-K2040 VanDerWaalsContact O-CD 3.26Å; N1380-K2040 WeakPolarHBondContact O-CD 3.38Å; N1380-K2040 WeakPolarHBondContact O-CE 2.99Å; N1380-K2040 VanDerWaalsContact O-CG 3.28Å; N1380-K2040 WeakPolarHBondContact O-CG 3.2Å; N1380-K2040 PolarHBondContact O-NZ 3.36Å; T1381-K2040 WeakPolarHBondContact O-CD 3.07Å
2041	Q	29.7	Very low	32.8	Very low	122 Å²	122	111.6 Å²	111.6	57%	0.57	60%	0.6	S	S	*	*	S	Bend	cis	-127.3	143	19.3	-68.4	-176.8	-124.1	0	0	109.6
2042	S	30.1	Very low	32.4	Very low	67 Å²	67	110 Å²	110	47%	0.469	60%	0.596	S	S	.	*			cis	111.3	65.3	29.2	81.6	0	0	0	0	114.5
2043	N	31.4	Very low	32.1	Very low	139 Å²	139	107.6 Å²	107.6	74%	0.743	59%	0.585	S	S	*	*			trans	-96.3	-152.4	141.3	-156.6	-1.1	0	0	0	110.8
2044	Q	29.5	Very low	32.2	Very low	156 Å²	156	109.9 Å²	109.9	73%	0.729	59%	0.588	S	S	*	*			trans	-154.2	148.9	-147.7	-64.3	-174.8	106.2	0	0	115.2
2045	Q	30.7	Very low	32.1	Very low	114 Å²	114	112.5 Å²	112.5	53%	0.533	59%	0.593	S	S	.	*			cis	-178.3	139.6	-25.8	-123.7	-176.7	121.1	0	0	112.5
2046	Q	31.9	Very low	32	Very low	148 Å²	148	115.2 Å²	115.2	69%	0.692	59%	0.592	S	S	*	*			trans	77.6	144.5	152.7	-57.8	177	25.8	0	0	119.2
2047	L	29.5	Very low	31.3	Very low	140 Å²	140	115.5 Å²	115.5	73%	0.733	59%	0.591	S	S	*	*			cis	-166.3	145.3	-7.6	-107.6	168.3	0	0	0	110.6
2048	P	31.8	Very low	30.8	Very low	77 Å²	77	114.7 Å²	114.7	50%	0.5	58%	0.584	S	S	.	*			trans	-100.8	168.5	-178.5	39	-35.2	0	0	0	114.6
2049	I	32.1	Very low	30.3	Very low	172 Å²	172	118.2 Å²	118.2	88%	0.882	59%	0.594	S	S	*	*			trans	-150.7	138.5	163.5	-105.5	152.4	0	0	0	113
2050	K	26.5	Very low	29.9	Very low	88 Å²	88	118 Å²	118	38%	0.383	59%	0.593	S	S	.	*			trans	-89.1	137.6	174.5	-48.7	156.7	174.5	-175.2	0	109.9	S2033 T2034	S2033-K2050 VanDerWaalsContact O-CE 3.29Å; S2033-K2050 WeakPolarHBondContact O-CE 3.49Å; S2033-K2050 PolarHBondContact O-NZ 3.37Å; S2033-K2050 WeakPolarHBondContact OG-CD 3.47Å; S2033-K2050 VanDerWaalsContact OG-CE 3.28Å; S2033-K2050 WeakPolarHBondContact OG-CE 3.46Å; S2033-K2050 VanDerWaalsContact OG-CG 3.25Å; S2033-K2050 WeakPolarHBondContact OG-CG 3.29Å; T2034-K2050 HydrophobicContact CG2-CG 4.43Å; T2034-K2050 PolarHBondContact O-NZ 2.66Å; T2034-K2050 WeakPolarHBondContact OG1-CE 3.48Å; T2034-K2050 PolarHBondContact OG1-NZ 3.45Å; T2034-K2050 VanDerWaalsContact OG1-NZ 3.17Å
2051	H	28.8	Very low	29.8	Very low	177 Å²	177	117.1 Å²	117.1	82%	0.819	59%	0.593	S	S	*	*			trans	-176.5	114.3	140.5	-104	-52	0	0	0	115.9
2052	V	28.3	Very low	29.9	Very low	102 Å²	102	116 Å²	116	62%	0.618	59%	0.591	S	S	*	*				77.1	128.4	119.3	141.9	0	0	0	0	120.5
2053	K	27.6	Very low	30	Very low	146 Å²	146	119.8 Å²	119.8	64%	0.635	60%	0.599	S	S	*	*			trans	77.2	115.7	154.6	-79.1	174.8	164.5	-72.4	0	116.4
2054	E	28.6	Very low	30.1	Very low	123 Å²	123	121 Å²	121	58%	0.575	60%	0.6	S	S	*	*				90.2	130.8	80.6	-84.4	171.7	-172.3	0	0	111.1
2055	Q	29.6	Very low	30.3	Very low	156 Å²	156	120.9 Å²	120.9	73%	0.729	60%	0.6	S	S	*	*			trans	65.7	138.7	164.9	-68.3	140.7	60.7	0	0	113.5
2056	N	30.9	Very low	30.3	Very low	123 Å²	123	120.1 Å²	120.1	66%	0.658	60%	0.599	S	S	*	*			cis	164.9	161.1	0.3	-112.2	36.4	0	0	0	102.3
2057	T	29.1	Very low	30.4	Very low	78 Å²	78	123.9 Å²	123.9	48%	0.479	61%	0.607	S	S	.	*			trans	61	102.8	146.1	56.1	0	0	0	0	120.1	E54	E54-T2057 HydrophobicContact CG-CG2 4.08Å; E54-T2057 WeakPolarHBondContact OE1-CG2 3.1Å
2058	V	28	Very low	30.5	Very low	81 Å²	81	123.9 Å²	123.9	49%	0.491	60%	0.601	S	S	.	*				51.3	113.5	126.4	-149.9	0	0	0	0	118.6	S62	S62-V2058 VanDerWaalsContact CB-CG1 3.41Å
2059	K	30.2	Very low	30.3	Very low	114 Å²	114	127.3 Å²	127.3	50%	0.496	62%	0.615	S	S	.	*				167.7	85.7	125.8	-91	152.1	-166.5	167.9	0	115.5	S62 E64	S62-K2059 WeakPolarHBondContact OG-CE 3.19Å; S62-K2059 VanDerWaalsContact OG-CG 3.22Å; S62-K2059 WeakPolarHBondContact OG-CG 3.05Å; E64-K2059 IonicContact OE2-NZ 2.94Å; E64-K2059 PolarHBondContact OE2-NZ 2.98Å
2060	L	29.2	Very low	30.1	Very low	60 Å²	60	123.5 Å²	123.5	31%	0.314	61%	0.608	S	S	.	*				58.8	135.9	100.9	-155.5	-130.4	0	0	0	118.7	G60 L61 S62 Q65	G60-L2060 WeakPolarHBondContact O-CD2 3.29Å; G60-L2060 VanDerWaalsContact O-CG 3.26Å; G60-L2060 WeakPolarHBondContact O-CG 3.29Å; L61-L2060 HydrophobicContact CB-CD1 4.44Å; L61-L2060 HydrophobicContact CD2-CD1 3.75Å; L61-L2060 HydrophobicContact CD2-CD2 4.02Å; L61-L2060 HydrophobicContact CD2-CG 4.43Å; S62-L2060 VanDerWaalsContact N-CD1 3.35Å; Q65-L2060 HydrophobicContact CB-CD1 3.31Å; Q65-L2060 HydrophobicContact CG-CD1 3.67Å; Q65-L2060 PolarHBondContact NE2-O 3.2Å
2061	N	31.3	Very low	30.2	Very low	76 Å²	76	126 Å²	126	41%	0.406	62%	0.622	S	S	.	*			trans	99.8	109.7	138	-135.9	-6.9	0	0	0	119.7	Q65	Q65-N2061 PolarHBondContact OE1-ND2 3.47Å
2062	N	32.8	Very low	30.2	Very low	98 Å²	98	122.3 Å²	122.3	52%	0.524	62%	0.616	S	S	.	*				128	118.2	122.7	-74.5	-78.9	0	0	0	118.5
2063	K	32.8	Very low	30.1	Very low	148 Å²	148	127.3 Å²	127.3	64%	0.643	63%	0.629	S	S	*	*				76.3	120	124.5	-67.5	170	168.2	46.9	0	120
2064	Q	32.3	Very low	30	Very low	164 Å²	164	126.2 Å²	126.2	77%	0.766	64%	0.635	S	S	*	*				-171.3	137.8	107.6	-91.8	145.1	114.7	0	0	107.1
2065	Q	34.6	Very low	30	Very low	154 Å²	154	125.1 Å²	125.1	72%	0.72	64%	0.639	S	S	*	*			cis	-157.1	120.8	3.5	-98.8	160.2	113.6	0	0	110.2
2066	N	31.5	Very low	30.1	Very low	97 Å²	97	125 Å²	125	52%	0.519	64%	0.643	S	S	.	*				36.7	104	103.5	-75.2	-117.5	0	0	0	116.5	K2068	N2066-K2068 PolarHBondContact OD1-NZ 2.86Å
2067	R	33.7	Very low	30.1	Very low	227 Å²	227	126.7 Å²	126.7	86%	0.857	65%	0.647	S	S	*	*				179.7	156.6	98.8	-90.2	169.9	-146.8	-175.4	9.9	111.2
2068	K	30.7	Very low	30.2	Very low	140 Å²	140	130 Å²	130	61%	0.609	66%	0.662	S	S	*	*			cis	174.1	125	-36.4	-116.4	-174.1	175.4	97.4	0	110.2	N2066	N2066-K2068 PolarHBondContact OD1-NZ 2.86Å
2069	L	28.6	Very low	30.1	Very low	150 Å²	150	132.4 Å²	132.4	79%	0.785	68%	0.677	S	S	*	*			trans	66.3	85.9	145.2	-67.7	162.3	0	0	0	118.8
2070	A	27.3	Very low	30	Very low	91 Å²	91	133.8 Å²	133.8	75%	0.752	69%	0.69	S	S	*	*				65.2	119.6	120	0	0	0	0	0	120.6
2071	E	28.1	Very low	29.8	Very low	142 Å²	142	135.9 Å²	135.9	66%	0.664	71%	0.709	S	S	*	*				-161.8	173.1	118.9	-104.2	175.7	-142.4	0	0	109.3	R84	R84-E2071 IonicContact CZ-OE2 2.72Å; R84-E2071 IonicContact NH1-OE2 2.89Å; R84-E2071 PolarHBondContact NH1-OE2 2.73Å; R84-E2071 IonicContact NH2-OE1 2.55Å; R84-E2071 IonicContact NH2-OE2 3.66Å; R84-E2071 PolarHBondContact NH2-OE2 3.04Å
2072	S	28.9	Very low	29.6	Very low	99 Å²	99	140.7 Å²	140.7	69%	0.692	73%	0.727	S	S	*	*			trans	72.8	170.9	177.1	-58	0	0	0	0	118.3
2073	F	25.6	Very low	29.3	Very low	206 Å²	206	146.1 Å²	146.1	90%	0.904	74%	0.741	S	S	*	*			trans	-153.1	106.1	-178.6	-110.8	-93.3	0	0	0	106.3
2074	T	27.1	Very low	29.1	Very low	123 Å²	123	144.6 Å²	144.6	76%	0.755	75%	0.749	S	S	*	*			trans	-159.6	126	-177.4	33.5	0	0	0	0	108.3
2075	P	27.4	Very low	28.9	Very low	101 Å²	101	144.1 Å²	144.1	66%	0.656	75%	0.751	S	S	*	*			trans	-94.8	137.1	164	34.9	-27.7	0	0	0	111
2076	N	31.6	Very low	28.6	Very low	153 Å²	153	143.8 Å²	143.8	82%	0.818	76%	0.755	S	S	*	*			trans	-119.1	139.2	142.8	-69.7	25.4	0	0	0	103.6
2077	E	30.8	Very low	28.5	Very low	158 Å²	158	148.2 Å²	148.2	74%	0.738	77%	0.772	S	S	*	*			cis	76.2	83.5	24.1	-50.1	-179.7	-179.9	0	0	113.1
2078	N	32.3	Very low	28.5	Very low	149 Å²	149	144.9 Å²	144.9	80%	0.797	77%	0.771	S	S	*	*				-169.9	148.7	128.3	-93.6	9.4	0	0	0	108.5
2079	T	25.8	Very low	28.4	Very low	131 Å²	131	145.7 Å²	145.7	80%	0.804	78%	0.781	S	S	*	*	S	Bend	trans	53	128.3	-152.6	72.1	0	0	0	0	113.3
2080	D	26.9	Very low	28.3	Very low	143 Å²	143	144.2 Å²	144.2	77%	0.765	77%	0.773	S	S	*	*			cis	-60.6	136.4	-10.2	-34.4	-72.9	0	0	0	112.9
2081	S	26.4	Very low	28.3	Very low	103 Å²	103	146.2 Å²	146.2	72%	0.72	77%	0.77	S	S	*	*			trans	-98.9	4.3	179.1	33.2	0	0	0	0	114.9	Y2083	S2081-Y2083 PolarHBondContact O-N 2.84Å
2082	F	25.9	Very low	28.3	Very low	178 Å²	178	147.1 Å²	147.1	78%	0.781	78%	0.78	S	S	*	*	S	Bend	trans	-68.1	102.2	178.7	-94.2	-87.1	0	0	0	113.6
2083	Y	28.2	Very low	28.2	Very low	211 Å²	211	149.4 Å²	149.4	83%	0.827	78%	0.783	S	S	*	*	S	Bend	trans	71.8	94	173.2	-50.2	-77.1	0	0	0	117.9	S2081	S2081-Y2083 PolarHBondContact O-N 2.84Å
2084	S	28.5	Very low	28.3	Very low	116 Å²	116	147.1 Å²	147.1	81%	0.811	78%	0.775	S	S	*	*			trans	168.5	59.3	131.3	179.8	0	0	0	0	116
2085	L	27.3	Very low	28.3	Very low	154 Å²	154	147.4 Å²	147.4	81%	0.806	77%	0.772	S	S	*	*			trans	-137.9	146.4	161.6	-67.7	175.9	0	0	0	107.5
2086	N	28.2	Very low	28.2	Very low	148 Å²	148	149 Å²	149	79%	0.791	77%	0.772	S	S	*	*			cis	-132.1	148.3	0.7	-80.7	-58.8	0	0	0	111.5
2087	E	29.5	Very low	28	Very low	190 Å²	190	147.9 Å²	147.9	89%	0.888	77%	0.766	S	S	*	*			trans	-139	146.9	164.2	-104.5	-163.7	156.8	0	0	110.3
2088	D	33.1	Very low	28	Very low	156 Å²	156	148.2 Å²	148.2	83%	0.834	77%	0.767	S	S	*	*			trans	60.8	94.4	172	-91.6	-12.8	0	0	0	118.2
2089	I	28.1	Very low	27.8	Very low	157 Å²	157	147.4 Å²	147.4	81%	0.805	76%	0.763	S	S	*	*				-172.2	110.6	111.6	-88.8	148.7	0	0	0	111
2090	L	28.1	Very low	28.1	Very low	120 Å²	120	148.5 Å²	148.5	63%	0.628	76%	0.764	S	S	*	*			trans	172.2	85.7	136	-92.3	-173.7	0	0	0	108.7
2091	L	27.2	Very low	28.3	Very low	132 Å²	132	148.2 Å²	148.2	69%	0.691	76%	0.762	S	S	*	*				67.3	94.6	97	-71.6	-173.4	0	0	0	117.4	I2093	L2091-I2093 PolarHBondContact O-N 3.32Å
2092	N	28.3	Very low	28.6	Very low	161 Å²	161	151.4 Å²	151.4	86%	0.861	77%	0.765	S	S	*	*			trans	6.3	91.9	141.3	-64	-98.1	0	0	0	118
2093	I	25.6	Very low	28.9	Very low	148 Å²	148	148.5 Å²	148.5	76%	0.759	76%	0.762	S	S	*	*			trans	-145.6	110.4	144.5	-91.3	133.5	0	0	0	102.6	L2091	L2091-I2093 PolarHBondContact O-N 3.32Å
2094	H	27.7	Very low	29	Very low	158 Å²	158	143.6 Å²	143.6	73%	0.731	75%	0.754	S	S	*	*				52.7	119	102.9	-76.1	-76.5	0	0	0	112.4
2095	D	26.7	Very low	29.2	Very low	129 Å²	129	144.2 Å²	144.2	69%	0.69	75%	0.753	S	S	*	*			cis	-136.2	142.5	31.4	-92.5	-51.6	0	0	0	119
2096	M	25.7	Very low	29.6	Very low	134 Å²	134	141.5 Å²	141.5	66%	0.66	75%	0.745	S	S	*	*	S	Bend	trans	-134.2	102.8	145.5	-79.9	-159.5	91.1	0	0	108.8	R838	R838-M2096 PolarHBondContact NH2-SD 3.3Å
2097	N	28.6	Very low	29.8	Very low	130 Å²	130	140.2 Å²	140.2	70%	0.695	74%	0.737	S	S	*	*	S	Bend	trans	62.7	83.9	159.4	-49.7	-75.8	0	0	0	117.5
2098	H	29.1	Very low	30.2	Very low	165 Å²	165	136.9 Å²	136.9	76%	0.764	73%	0.726	S	S	*	*				-166.6	121.4	120.9	-109.3	55.9	0	0	0	114.5
2099	D	28.4	Very low	30.4	Very low	131 Å²	131	136 Å²	136	70%	0.701	72%	0.72	S	S	*	*			trans	-10.3	124.3	140.4	-36.9	-38.8	0	0	0	116.8
2100	D	31.6	Very low	31	Very low	155 Å²	155	134.3 Å²	134.3	83%	0.829	72%	0.718	S	S	*	*				155.4	100.9	128.3	-87.2	-15.2	0	0	0	113.3
2101	D	31.3	Very low	31.4	Very low	137 Å²	137	134.7 Å²	134.7	73%	0.733	72%	0.72	S	S	*	*			trans	33.3	117	139.9	-70.8	-3.7	0	0	0	122.4
2102	H	32.5	Very low	31.9	Very low	169 Å²	169	134.3 Å²	134.3	78%	0.782	72%	0.719	S	S	*	*				79	131.1	125.4	-74.5	-34.7	0	0	0	123.8
2103	V	32.6	Very low	32.4	Very low	118 Å²	118	133.3 Å²	133.3	72%	0.715	71%	0.714	S	S	*	*				98.3	96.6	126.9	161.9	0	0	0	0	121.9
2104	T	30.4	Very low	33.1	Very low	108 Å²	108	133.9 Å²	133.9	66%	0.663	72%	0.718	S	S	*	*			trans	89.6	108.7	130.1	61.6	0	0	0	0	126
2105	T	33.4	Very low	33.6	Very low	128 Å²	128	133.8 Å²	133.8	79%	0.785	72%	0.723	S	S	*	*				58.4	165.8	119.1	76.3	0	0	0	0	122.2
2106	P	36.4	Very low	34.2	Very low	97 Å²	97	135.4 Å²	135.4	63%	0.63	73%	0.732	S	S	*	*				-135.5	-151.2	-90.7	33.5	-7.9	0	0	0	114.5
2107	L	31.9	Very low	34.6	Very low	121 Å²	121	137 Å²	137	63%	0.634	74%	0.743	S	S	*	*			trans	100.2	131.6	152.6	-70.9	162.6	0	0	0	123.9	T1274	T1274-L2107 WeakPolarHBondContact CG2-O 3.33Å
2108	D	37.2	Very low	34.9	Very low	121 Å²	121	134.3 Å²	134.3	65%	0.647	75%	0.746	S	S	*	*			trans	93.3	93.8	134.6	-77.9	-30.3	0	0	0	124.7
2109	N	38.4	Very low	35.1	Very low	136 Å²	136	133.7 Å²	133.7	73%	0.727	75%	0.747	S	S	*	*				70.1	167.6	102.9	-86.2	-53.2	0	0	0	124.2
2110	V	40.4	Very low	35.4	Very low	123 Å²	123	135.7 Å²	135.7	75%	0.745	75%	0.752	S	S	*	*			trans	100.6	92.7	162.8	-175.5	0	0	0	0	116.2
2111	N	36.9	Very low	35.5	Very low	128 Å²	128	134.1 Å²	134.1	68%	0.684	74%	0.744	S	S	*	*				86.6	158.4	79.1	-80.5	52.1	0	0	0	114.3
2112	D	36.6	Very low	35.6	Very low	124 Å²	124	133.3 Å²	133.3	66%	0.663	74%	0.739	S	S	*	*			cis	-150.7	156.3	6.1	-78.5	-52	0	0	0	111.1
2113	D	39.7	Very low	35.6	Very low	140 Å²	140	134 Å²	134	75%	0.749	74%	0.743	S	S	*	*			trans	10.2	147.5	142.7	-43.1	-23.9	0	0	0	124.8
2114	D	40.5	Very low	35.5	Very low	160 Å²	160	137 Å²	137	86%	0.856	75%	0.749	S	S	*	*				173.1	139.5	117.5	-100	-15.5	0	0	0	115.4
2115	D	38.3	Very low	35.5	Very low	155 Å²	155	137.7 Å²	137.7	83%	0.829	75%	0.753	S	S	*	*			trans	-48.6	151.5	-177.7	-47.6	-41.7	0	0	0	121.3
2116	D	38.7	Very low	35.3	Very low	163 Å²	163	138.3 Å²	138.3	87%	0.872	75%	0.751	S	S	*	*				-173.2	149.5	119.4	-126.3	-23.5	0	0	0	114
2117	D	33.6	Very low	35.1	Very low	167 Å²	167	140.6 Å²	140.6	89%	0.893	76%	0.758	S	S	*	*			trans	-74	135.9	-175.3	-67.3	-61.5	0	0	0	115.4
2118	G	34.2	Very low	35.2	Very low	74 Å²	74	138.5 Å²	138.5	76%	0.763	76%	0.757	S	S	*	*			trans	-109	-59.5	-165.7	0	0	0	0	0	120.8
2119	I	33.6	Very low	34.7	Very low	153 Å²	153	139.9 Å²	139.9	79%	0.785	77%	0.765	S	S	*	*			trans	79.8	136.5	-179.8	-58.1	175.7	0	0	0	118.6
2120	E	34.5	Very low	34.4	Very low	172 Å²	172	140.2 Å²	140.2	80%	0.804	77%	0.772	S	S	*	*			trans	82.8	105.1	160.7	-84	162.9	-164.5	0	0	120.1
2121	N	33.9	Very low	33.9	Very low	123 Å²	123	139.7 Å²	139.7	66%	0.658	77%	0.765	S	S	*	*			trans	95.6	112.9	141.4	-70.8	54.7	0	0	0	122
2122	D	33.8	Very low	33.6	Very low	120 Å²	120	141 Å²	141	64%	0.642	77%	0.771	S	S	*	*				58.8	117.1	128.1	-38.7	-22.7	0	0	0	121.1
2123	Q	33.2	Very low	33.2	Very low	183 Å²	183	143.3 Å²	143.3	86%	0.855	78%	0.775	S	S	*	*			trans	53	141	151.6	-65	161.8	-87.5	0	0	118.9
2124	E	31	Very low	32.6	Very low	182 Å²	182	142.4 Å²	142.4	85%	0.85	78%	0.775	S	S	*	*			cis	-108.1	-172.1	6.2	-60.4	105.3	164.1	0	0	116.1
2125	V	30	Very low	32.1	Very low	122 Å²	122	140 Å²	140	74%	0.739	77%	0.771	S	S	*	*			trans	-106.1	151.3	172.7	-119.4	0	0	0	0	108.8
2126	N	29.3	Very low	31.6	Very low	140 Å²	140	139 Å²	139	75%	0.749	76%	0.764	S	S	*	*				45.4	140.2	104	-69.3	3.9	0	0	0	115.7
2127	L	32.1	Very low	31	Very low	146 Å²	146	136 Å²	136	76%	0.764	74%	0.743	S	S	*	*			cis	-138.7	156.5	9.7	-135.2	66.8	0	0	0	109.6
2128	A	32.7	Very low	30.8	Very low	76 Å²	76	130 Å²	130	63%	0.628	72%	0.722	S	S	*	*				42.1	150.1	102.8	0	0	0	0	0	117.3
2129	D	27.1	Very low	30.5	Very low	151 Å²	151	129.5 Å²	129.5	81%	0.807	71%	0.706	S	S	*	*			cis	160.5	68.9	-25.2	-107	-33.3	0	0	0	106.2	N2131	D2129-N2131 PolarHBondContact O-ND2 3.47Å
2130	T	32.7	Very low	30.2	Very low	142 Å²	142	127 Å²	127	87%	0.871	69%	0.69	S	S	*	*			trans	-120.8	166.7	-173.8	10.1	0	0	0	0	112.6
2131	N	29.6	Very low	29.8	Very low	113 Å²	113	123.5 Å²	123.5	60%	0.604	68%	0.676	S	S	*	*			trans	-145.7	10.1	-142.7	-82.3	-102.9	0	0	0	119.8	D2129	D2129-N2131 PolarHBondContact O-ND2 3.47Å
2132	L	30.8	Very low	29.5	Very low	155 Å²	155	119.4 Å²	119.4	81%	0.812	65%	0.654	S	S	*	*			trans	-80.8	142.6	176.1	-76.2	103.4	0	0	0	111.6
2133	K	28.5	Very low	29.3	Very low	172 Å²	172	117.8 Å²	117.8	75%	0.748	65%	0.65	S	S	*	*			cis	76.9	145.9	40.3	-75.6	-177.8	163.8	-166.1	0	113.3
2134	T	27.1	Very low	29	Very low	121 Å²	121	112 Å²	112	74%	0.742	64%	0.639	S	S	*	*			cis	-175.9	102.5	-42.8	28.3	0	0	0	0	109.6
2135	S	29.7	Very low	28.9	Very low	110 Å²	110	106.7 Å²	106.7	77%	0.769	63%	0.627	S	S	*	*			trans	-155.7	153.6	158.8	-95.8	0	0	0	0	109.2
2136	I	28.6	Very low	28.7	Very low	133 Å²	133	104 Å²	104	68%	0.682	61%	0.606	S	S	*	*			cis	81.1	129.2	28.6	-57.3	168.2	0	0	0	109.7
2137	F	25.9	Very low	28.7	Very low	100 Å²	100	101.2 Å²	101.2	44%	0.439	60%	0.602	S	S	.	*			cis	-143	-155.5	-13.9	-146.2	-121.1	0	0	0	111.7	Y658 L839 L840	Y658-F2137 HydrophobicContact CE1-CE1 4.3Å; L839-F2137 HydrophobicContact CB-CE1 4.33Å; L839-F2137 HydrophobicContact CB-CE2 4.14Å; L839-F2137 HydrophobicContact CB-CZ 3.67Å; L839-F2137 HydrophobicContact CD1-CE2 3.8Å; L839-F2137 HydrophobicContact CD1-CZ 3.6Å; L839-F2137 HydrophobicContact CD2-CE2 3.87Å; L839-F2137 HydrophobicContact CD2-CZ 4.26Å; L839-F2137 HydrophobicContact CG-CE2 4.11Å; L839-F2137 HydrophobicContact CG-CZ 3.99Å; L840-F2137 HydrophobicContact CD1-CD1 4.2Å; L840-F2137 HydrophobicContact CD1-CE1 4.35Å; L840-F2137 HydrophobicContact CD2-CD1 4.2Å; L840-F2137 HydrophobicContact CG-CD1 4.24Å; L840-F2137 HydrophobicContact CG-CE1 4.33Å
2138	G	28.1	Very low	28.6	Very low	43 Å²	43	98.1 Å²	98.1	44%	0.443	59%	0.593	S	S	.	*			trans	72.7	-171.2	160.5	0	0	0	0	0	118.4
2139	S	29.1	Very low	28.3	Very low	63 Å²	63	99.1 Å²	99.1	44%	0.441	59%	0.591	S	S	.	*			cis	-152.3	162.1	-32.7	-97	0	0	0	0	111.3	Y658 Q659	Y658-S2139 VanDerWaalsContact C-OG 3.22Å; Y658-S2139 WeakPolarHBondContact CA-OG 3.19Å; Y658-S2139 CarbonylContact O-C 3.56Å; Y658-S2139 WeakPolarHBondContact O-CA 3.43Å; Y658-S2139 WeakPolarHBondContact O-CB 3.41Å; Y658-S2139 PolarHBondContact O-OG 3.03Å; Y658-S2139 VanDerWaalsContact O-OG 3.09Å; Q659-S2139 VanDerWaalsContact C-OG 3.3Å; Q659-S2139 PolarHBondContact O-OG 3.48Å
2140	F	26.1	Very low	28.3	Very low	99 Å²	99	96.2 Å²	96.2	43%	0.434	58%	0.579	S	S	.	*			trans	-89.5	144.6	-171.2	-97.2	-145.6	0	0	0	113.8	Q656 Y658	Q656-F2140 HydrophobicContact CG-CD1 4.28Å; Y658-F2140 AromaticContact CD2-CD2 3.52Å; Y658-F2140 HydrophobicContact CD2-CD2 3.52Å; Y658-F2140 AromaticContact CD2-CE2 3.42Å; Y658-F2140 HydrophobicContact CD2-CE2 3.42Å; Y658-F2140 VanDerWaalsContact CD2-CE2 3.42Å; Y658-F2140 HydrophobicContact CD2-CG 4.48Å; Y658-F2140 HydrophobicContact CD2-CZ 4.3Å; Y658-F2140 HydrophobicContact CE2-CD2 4.41Å; Y658-F2140 HydrophobicContact CE2-CE2 4.03Å; Y658-F2140 AromaticContact CG-CD2 3.9Å; Y658-F2140 HydrophobicContact CG-CD2 3.9Å; Y658-F2140 HydrophobicContact CG-CE2 4.26Å; Y658-F2140 WeakPolarHBondContact O-CA 3.48Å; Y658-F2140 WeakPolarHBondContact O-CB 3.22Å; Y658-F2140 PolarHBondContact O-N 2.85Å
2141	L	27.1	Very low	28.2	Very low	100 Å²	100	95.7 Å²	95.7	52%	0.524	57%	0.571	S	S	.	*			trans	38.3	90.5	131	-58.7	176.9	0	0	0	120.8	Y567	Y567-L2141 HydrophobicContact CE1-CD1 4.04Å
2142	L	27.7	Very low	28.3	Very low	36 Å²	36	97.9 Å²	97.9	19%	0.188	58%	0.578	C	S	.	*				-132.2	157	126	-98.6	162.8	0	0	0	112.2	W645 M653 D663 S666	W645-L2142 HydrophobicContact CH2-CD1 4.01Å; W645-L2142 HydrophobicContact CZ2-CD1 3.65Å; W645-L2142 HydrophobicContact CZ2-CD2 3.92Å; W645-L2142 HydrophobicContact CZ2-CG 4.38Å; M653-L2142 HydrophobicContact CE-CD1 4.45Å; M653-L2142 HydrophobicContact CE-CD2 3.55Å; M653-L2142 HydrophobicContact CE-CG 3.87Å; D663-L2142 WeakPolarHBondContact OD2-CD1 3.4Å; S666-L2142 VanDerWaalsContact CA-CD1 3.45Å; S666-L2142 VanDerWaalsContact CB-CD1 3.49Å
2143	P	30.1	Very low	28.4	Very low	86 Å²	86	96.7 Å²	96.7	56%	0.558	58%	0.577	S	S	*	*			trans	-142.6	140.3	172.8	38	-21	0	0	0	116.5
2144	G	26	Very low	28.5	Very low	61 Å²	61	93.2 Å²	93.2	63%	0.629	57%	0.57	S	S	*	*			trans	137.5	102.8	138.7	0	0	0	0	0	119
2145	A	28.1	Very low	28.7	Very low	71 Å²	71	88.8 Å²	88.8	59%	0.587	55%	0.548	S	S	*	.			trans	-156.8	172.2	152.1	0	0	0	0	0	107.9
2146	E	26.1	Very low	28.7	Very low	67 Å²	67	87.4 Å²	87.4	31%	0.313	53%	0.532	S	S	.	.				-114.8	-143.1	-74.4	-86.2	-132.9	-143.7	0	0	110.8	F2199 L2200 I2201	E2146-F2199 PolarHBondContact OE1-N 3.15Å; E2146-L2200 PolarHBondContact OE1-N 3.45Å; E2146-I2201 HydrophobicContact CB-CD1 4.01Å; E2146-I2201 HydrophobicContact CG-CD1 4.23Å; E2146-I2201 WeakPolarHBondContact OE2-CD1 3.31Å; E2146-I2201 WeakPolarHBondContact OE2-CG1 3.32Å
2147	A	29.4	Very low	28.9	Very low	80 Å²	80	83 Å²	83	66%	0.661	51%	0.508	S	S	*	.			trans	39.8	104.8	178	0	0	0	0	0	119.5
2148	S	29.4	Very low	29.2	Very low	81 Å²	81	84.6 Å²	84.6	57%	0.566	52%	0.515	S	S	*	.				56.4	143.6	71.2	71.8	0	0	0	0	117.9
2149	T	27.3	Very low	29.7	Very low	98 Å²	98	85.9 Å²	85.9	60%	0.601	51%	0.508	S	S	*	.				-170.1	123.3	-63.9	28.6	0	0	0	0	114.8
2150	T	27.9	Very low	30.1	Very low	89 Å²	89	85.4 Å²	85.4	55%	0.546	50%	0.501	S	S	.	.			trans	77.8	147.3	148.3	61.1	0	0	0	0	121.8	N1553	N1553-T2150 WeakPolarHBondContact CA-O 3.25Å; N1553-T2150 PolarHBondContact N-O 3.29Å; N1553-T2150 PolarHBondContact ND2-O 3.32Å
2151	D	30.7	Very low	30.8	Very low	132 Å²	132	80.8 Å²	80.8	71%	0.706	48%	0.481	S	S	*	.			cis	-147.5	-55.2	20	-148.7	35.3	0	0	0	118.6	N1553	N1553-D2151 VanDerWaalsContact ND2-CB 3.28Å; N1553-D2151 WeakPolarHBondContact ND2-CB 3.49Å; N1553-D2151 PolarHBondContact ND2-N 3.38Å
2152	E	31.5	Very low	31.3	Very low	158 Å²	158	77.5 Å²	77.5	74%	0.738	46%	0.462	S	S	*	.			trans	-163.8	99.9	-171.7	-161.9	166.8	-125.2	0	0	115.3	T2154	E2152-T2154 PolarHBondContact O-N 3.44Å; E2152-T2154 PolarHBondContact O-OG1 2.68Å
2153	V	32.6	Very low	31.9	Very low	131 Å²	131	80.3 Å²	80.3	79%	0.794	47%	0.473	S	S	*	.			trans	-47.6	113.8	179.1	171.3	0	0	0	0	113.7
2154	T	30.7	Very low	32.2	Very low	99 Å²	99	80 Å²	80	61%	0.607	47%	0.465	S	S	*	.			trans	-160.4	55	177.4	41.9	0	0	0	0	115.8	E2152	E2152-T2154 PolarHBondContact O-N 3.44Å; E2152-T2154 PolarHBondContact O-OG1 2.68Å
2155	G	31.2	Very low	32.8	Very low	28 Å²	28	81 Å²	81	29%	0.289	45%	0.452	S	S	.	.			trans	84.7	162.3	172.9	0	0	0	0	0	115.6	L1554	L1554-G2155 WeakPolarHBondContact CD1-O 3.3Å; L1554-G2155 WeakPolarHBondContact CD2-O 3.49Å
2156	L	30.1	Very low	33.3	Very low	80 Å²	80	81.7 Å²	81.7	42%	0.419	44%	0.443	S	S	.	.			cis	57.6	137	32.3	-103.8	152.4	0	0	0	110.3	D1499 G1500 I1501 K2158	D1499-L2156 CarbonylContact C-O 3.55Å; D1499-L2156 HydrophobicContact CB-CB 3.92Å; D1499-L2156 CarbonylContact O-C 3.52Å; D1499-L2156 VanDerWaalsContact OD2-C 3.27Å; D1499-L2156 VanDerWaalsContact OD2-CB 3.26Å; D1499-L2156 WeakPolarHBondContact OD2-CB 3.37Å; D1499-L2156 WeakPolarHBondContact OD2-CD2 3.16Å; G1500-L2156 CarbonylContact C-O 3.58Å; G1500-L2156 WeakPolarHBondContact CA-O 3.44Å; G1500-L2156 PolarHBondContact N-O 3.23Å; I1501-L2156 WeakPolarHBondContact CG1-O 3.1Å; I1501-L2156 PolarHBondContact N-O 2.86Å; I1501-L2156 VanDerWaalsContact N-O 3.11Å; L2156-K2158 HydrophobicContact CD2-CD 3.59Å; L2156-K2158 VanDerWaalsContact CD2-CE 3.43Å; L2156-K2158 HydrophobicContact CD2-CG 4.2Å; L2156-K2158 HydrophobicContact CG-CD 4.36Å
2157	H	30.9	Very low	33.9	Very low	40 Å²	40	84.5 Å²	84.5	19%	0.185	46%	0.46	C	S	.	.			cis	-95.9	-179.4	21.8	-149.4	43.4	0	0	0	121.3	D1497 D1499 E1506 K2159	D1497-H2157 WeakPolarHBondContact CB-CE1 3.43Å; D1497-H2157 WeakPolarHBondContact CB-ND1 3.48Å; D1497-H2157 WeakPolarHBondContact CB-NE2 3.33Å; D1497-H2157 VanDerWaalsContact CG-CB 3.41Å; D1497-H2157 PolarHBondContact N-NE2 3.3Å; D1497-H2157 WeakPolarHBondContact OD1-CB 3.46Å; D1497-H2157 IonicContact OD1-CD2 2.97Å; D1497-H2157 PolarHBondContact OD1-CD2 2.94Å; D1497-H2157 IonicContact OD1-CE1 2.95Å; D1497-H2157 PolarHBondContact OD1-CE1 3.45Å; D1497-H2157 IonicContact OD1-CG 3.24Å; D1497-H2157 IonicContact OD1-ND1 2.83Å; D1497-H2157 PolarHBondContact OD1-ND1 3.4Å; D1497-H2157 IonicContact OD1-NE2 2.65Å; D1497-H2157 PolarHBondContact OD1-NE2 2.99Å; D1497-H2157 IonicContact OD2-CD2 3.1Å; D1497-H2157 PolarHBondContact OD2-CD2 3.48Å; D1497-H2157 IonicContact OD2-CE1 3.37Å; D1497-H2157 PolarHBondContact OD2-CE1 3.16Å; D1497-H2157 IonicContact OD2-CG 3.32Å; D1497-H2157 IonicContact OD2-ND1 3.41Å; D1497-H2157 PolarHBondContact OD2-ND1 3.33Å; D1497-H2157 IonicContact OD2-NE2 3.09Å; D1497-H2157 PolarHBondContact OD2-NE2 2.9Å; D1499-H2157 VanDerWaalsContact CG-ND1 3.34Å; D1499-H2157 WeakPolarHBondContact O-CB 3.44Å; D1499-H2157 PolarHBondContact O-N 2.65Å; D1499-H2157 IonicContact OD1-CG 2.69Å; D1499-H2157 IonicContact OD1-ND1 3.65Å; D1499-H2157 PolarHBondContact OD1-ND1 2.83Å; D1499-H2157 WeakPolarHBondContact OD2-CA 3.34Å; D1499-H2157 VanDerWaalsContact OD2-CB 3.31Å; D1499-H2157 WeakPolarHBondContact OD2-CB 3.43Å; D1499-H2157 IonicContact OD2-CG 3.02Å; D1499-H2157 PolarHBondContact OD2-N 3.32Å; D1499-H2157 VanDerWaalsContact OD2-N 3.08Å; D1499-H2157 IonicContact OD2-ND1 3.14Å; D1499-H2157 PolarHBondContact OD2-ND1 2.89Å; E1506-H2157 IonicContact OE1-CD2 3.34Å; E1506-H2157 PolarHBondContact OE1-CD2 3.3Å; E1506-H2157 VanDerWaalsContact OE1-CD2 3.24Å; H2157-K2159 PolarHBondContact CD2-NZ 3.47Å; H2157-K2159 WeakPolarHBondContact NE2-CE 3.37Å; H2157-K2159 PolarHBondContact NE2-NZ 2.93Å
2158	K	33.2	Very low	34.3	Very low	135 Å²	135	90.4 Å²	90.4	59%	0.587	47%	0.474	S	S	*	.			trans	-146.9	75.5	-154.8	-64.8	164.8	174.9	164.9	0	116.1	L2156	L2156-K2158 HydrophobicContact CD2-CD 3.59Å; L2156-K2158 VanDerWaalsContact CD2-CE 3.43Å; L2156-K2158 HydrophobicContact CD2-CG 4.2Å; L2156-K2158 HydrophobicContact CG-CD 4.36Å
2159	K	38.9	Very low	34.7	Very low	70 Å²	70	90.7 Å²	90.7	30%	0.304	48%	0.482	S	S	.	.			trans	-158.6	14.4	179	-115	167.5	-58.9	90.8	0	130.2	D1497 E1506 D1507 E1508 H2157	D1497-K2159 VanDerWaalsContact OD2-CE 3.25Å; D1497-K2159 WeakPolarHBondContact OD2-CE 3.21Å; D1497-K2159 IonicContact OD2-NZ 2.74Å; D1497-K2159 PolarHBondContact OD2-NZ 3.45Å; E1506-K2159 HydrophobicContact CB-CB 4.32Å; E1506-K2159 VanDerWaalsContact CD-CA 3.44Å; E1506-K2159 HydrophobicContact CG-CB 3.99Å; E1506-K2159 WeakPolarHBondContact OE1-CB 3.13Å; E1506-K2159 IonicContact OE1-NZ 3.55Å; E1506-K2159 PolarHBondContact OE1-NZ 2.84Å; E1506-K2159 WeakPolarHBondContact OE2-CA 3.28Å; E1506-K2159 VanDerWaalsContact OE2-CB 3.26Å; E1506-K2159 WeakPolarHBondContact OE2-CB 3.49Å; D1507-K2159 CarbonylContact O-C 3.45Å; D1507-K2159 VanDerWaalsContact O-C 3.31Å; D1507-K2159 WeakPolarHBondContact O-CA 3.19Å; D1507-K2159 PolarHBondContact O-N 3.45Å; E1508-K2159 VanDerWaalsContact CA-C 3.43Å; E1508-K2159 WeakPolarHBondContact CA-O 3.39Å; E1508-K2159 VanDerWaalsContact CB-O 3.29Å; E1508-K2159 WeakPolarHBondContact CB-O 3.22Å; E1508-K2159 VanDerWaalsContact CG-O 3.27Å; E1508-K2159 WeakPolarHBondContact CG-O 3Å; E1508-K2159 PolarHBondContact N-O 2.72Å; H2157-K2159 PolarHBondContact CD2-NZ 3.47Å; H2157-K2159 WeakPolarHBondContact NE2-CE 3.37Å; H2157-K2159 PolarHBondContact NE2-NZ 2.93Å
2160	N	37.9	Very low	35.2	Very low	52 Å²	52	93 Å²	93	28%	0.278	49%	0.489	S	S	.	.			trans	-139.6	113.3	178.4	-98.9	-74.9	0	0	0	120.1	D1503 E1506 E1508 D1515	D1503-N2160 PolarHBondContact O-ND2 2.85Å; E1506-N2160 HydrophobicContact CB-CB 4.01Å; E1506-N2160 VanDerWaalsContact CB-N 3.28Å; E1506-N2160 CarbonylContact O-C 3.54Å; E1506-N2160 VanDerWaalsContact O-C 3.25Å; E1506-N2160 WeakPolarHBondContact O-CA 3.43Å; E1506-N2160 PolarHBondContact O-N 2.84Å; E1506-N2160 PolarHBondContact OE2-N 3.34Å; E1506-N2160 PolarHBondContact OE2-ND2 3.21Å; E1508-N2160 VanDerWaalsContact N-CA 3.25Å; D1515-N2160 VanDerWaalsContact CB-O 3.24Å; D1515-N2160 WeakPolarHBondContact CB-O 3.31Å; D1515-N2160 PolarHBondContact N-O 2.7Å
2161	I	40	Very low	35.7	Very low	2 Å²	2	96.9 Å²	96.9	1%	0.01	50%	0.498	C	S	.	.	B	Isolated β-bridge	trans	-148.6	159.6	-153.5	-158.8	41.3	0	0	0	123.9	D1507 E1508 D1509 D1511 I1513 D1515 K2163	D1507-I2161 HydrophobicContact CB-CB 4.46Å; D1507-I2161 HydrophobicContact CB-CD1 4.05Å; D1507-I2161 HydrophobicContact CB-CG1 4.17Å; D1507-I2161 VanDerWaalsContact CG-CG1 3.47Å; D1507-I2161 WeakPolarHBondContact OD2-CD1 3.16Å; D1507-I2161 VanDerWaalsContact OD2-CG1 3.26Å; D1507-I2161 WeakPolarHBondContact OD2-CG1 3.33Å; E1508-I2161 VanDerWaalsContact CA-CG2 3.47Å; E1508-I2161 HydrophobicContact CB-CB 4.1Å; E1508-I2161 HydrophobicContact CB-CG2 3.35Å; D1509-I2161 HydrophobicContact CB-CG2 3.71Å; D1511-I2161 WeakPolarHBondContact OD1-CD1 3.3Å; D1511-I2161 VanDerWaalsContact OD1-CG1 3.31Å; D1511-I2161 WeakPolarHBondContact OD1-CG1 3.23Å; I1513-I2161 HydrophobicContact CB-CD1 4.41Å; I1513-I2161 WeakPolarHBondContact O-CD1 3.32Å; D1515-I2161 VanDerWaalsContact CG-C 3.47Å; D1515-I2161 PolarHBondContact OD2-N 2.8Å; I2161-K2163 VanDerWaalsContact N-NZ 3.16Å; I2161-K2163 WeakPolarHBondContact O-CD 3.48Å; I2161-K2163 WeakPolarHBondContact O-CE 3.32Å; I2161-K2163 VanDerWaalsContact O-CG 3.32Å; I2161-K2163 WeakPolarHBondContact O-CG 3.25Å; I2161-K2163 PolarHBondContact O-N 3.04Å; I2161-K2163 PolarHBondContact O-NZ 3.39Å
2162	K	37	Very low	35.9	Very low	31 Å²	31	97.8 Å²	97.8	14%	0.135	50%	0.5	C	S	.	.			trans	55.3	13.4	150	92.2	-143.3	-32.9	93.1	0	125.8	D1509 K1510 D1511 D1515 T1520 M2164	D1509-K2162 HydrophobicContact CB-CD 3.82Å; D1509-K2162 PolarHBondContact O-NZ 3.32Å; D1509-K2162 WeakPolarHBondContact OD1-CD 3.29Å; K1510-K2162 VanDerWaalsContact C-NZ 3.34Å; D1511-K2162 WeakPolarHBondContact OD1-CB 3.37Å; D1511-K2162 VanDerWaalsContact OD1-CE 3.28Å; D1511-K2162 WeakPolarHBondContact OD1-CE 3.2Å; D1511-K2162 IonicContact OD1-NZ 3.35Å; D1511-K2162 PolarHBondContact OD1-NZ 2.87Å; D1511-K2162 WeakPolarHBondContact OD2-CB 3.47Å; D1511-K2162 VanDerWaalsContact OD2-CE 3.24Å; D1511-K2162 WeakPolarHBondContact OD2-CE 3.32Å; D1511-K2162 IonicContact OD2-NZ 2.73Å; D1515-K2162 PolarHBondContact OD1-N 3.32Å; T1520-K2162 WeakPolarHBondContact CB-O 3.5Å; T1520-K2162 WeakPolarHBondContact CG2-O 3.34Å; K2162-M2164 PolarHBondContact O-N 3.4Å
2163	K	40.3	Very low	36.4	Very low	96 Å²	96	98.9 Å²	98.9	42%	0.417	50%	0.502	S	S	.	.			trans	-72.1	46.4	-155.7	-74.4	142.3	-169.5	117.8	0	122.1	E1508 D1515 I2161	E1508-K2163 WeakPolarHBondContact OE2-CE 3.46Å; E1508-K2163 IonicContact OE2-NZ 3.64Å; E1508-K2163 PolarHBondContact OE2-NZ 2.83Å; D1515-K2163 WeakPolarHBondContact OD1-CD 3.08Å; D1515-K2163 IonicContact OD1-NZ 3.77Å; D1515-K2163 WeakPolarHBondContact OD2-CD 3.34Å; D1515-K2163 IonicContact OD2-NZ 2.7Å; D1515-K2163 PolarHBondContact OD2-NZ 3.5Å; I2161-K2163 VanDerWaalsContact N-NZ 3.16Å; I2161-K2163 WeakPolarHBondContact O-CD 3.48Å; I2161-K2163 WeakPolarHBondContact O-CE 3.32Å; I2161-K2163 VanDerWaalsContact O-CG 3.32Å; I2161-K2163 WeakPolarHBondContact O-CG 3.25Å; I2161-K2163 PolarHBondContact O-N 3.04Å; I2161-K2163 PolarHBondContact O-NZ 3.39Å
2164	M	36.2	Very low	36.9	Very low	80 Å²	80	96.5 Å²	96.5	39%	0.394	49%	0.49	S	S	.	.			trans	75	119	152.9	-79.1	-168.4	-174.3	0	0	123.6	T1111 N1112 K2162	T1111-M2164 WeakPolarHBondContact CA-O 3.45Å; T1111-M2164 PolarHBondContact N-O 3.48Å; N1112-M2164 PolarHBondContact ND2-SD 3.33Å; K2162-M2164 PolarHBondContact O-N 3.4Å
2165	K	39	Very low	37	Very low	81 Å²	81	96.9 Å²	96.9	35%	0.352	49%	0.492	S	S	.	.				86.3	87.2	101.6	-151.6	151.2	-159	141.8	0	122	T1522 D1523	T1522-K2165 VanDerWaalsContact CB-CD 3.41Å; T1522-K2165 VanDerWaalsContact CB-NZ 3.29Å; T1522-K2165 HydrophobicContact CG2-CD 3.78Å; T1522-K2165 WeakPolarHBondContact OG1-CB 3.09Å; T1522-K2165 WeakPolarHBondContact OG1-CD 3.1Å; T1522-K2165 WeakPolarHBondContact OG1-CG 3.16Å; D1523-K2165 PolarHBondContact OD2-N 3.35Å
2166	Q	39.5	Very low	37	Very low	86 Å²	86	101.1 Å²	101.1	40%	0.402	51%	0.508	S	S	.	.			trans	88.4	130	140.5	-38.2	-140.1	-41.7	0	0	126.4	T1522 D1523	T1522-Q2166 PolarHBondContact O-NE2 3Å; D1523-Q2166 PolarHBondContact OD1-N 2.9Å
2167	N	39.3	Very low	37.2	Very low	125 Å²	125	103.9 Å²	103.9	67%	0.668	52%	0.516	S	S	*	.			trans	72.9	121.9	131.4	-73.8	-7	0	0	0	122.7	K1526	K1526-N2167 PolarHBondContact NZ-OD1 3.34Å
2168	E	36	Very low	37.5	Very low	204 Å²	204	108.7 Å²	108.7	95%	0.953	54%	0.543	S	S	*	.				-157.7	150.8	104.7	-112.6	177.1	-169.7	0	0	111
2169	A	38.6	Very low	38.1	Very low	88 Å²	88	112.5 Å²	112.5	73%	0.727	56%	0.559	S	S	*	*			trans	-134.2	164.4	179	0	0	0	0	0	109.9
2170	I	37.7	Very low	37.8	Very low	147 Å²	147	114.6 Å²	114.6	75%	0.754	58%	0.583	S	S	*	*			trans	-179.7	122.8	153.3	-102.3	152.2	0	0	0	115.2
2171	K	37.6	Very low	37.4	Very low	170 Å²	170	119.6 Å²	119.6	74%	0.739	60%	0.602	S	S	*	*			trans	66.4	156	150.3	-68.2	173.4	-158.7	170.5	0	119.6
2172	M	35.7	Very low	37	Very low	151 Å²	151	127.2 Å²	127.2	74%	0.744	64%	0.638	S	S	*	*			cis	-147.7	132.9	8.3	-122.3	140.7	72.6	0	0	108.7
2173	K	42.8	Very low	36.8	Very low	180 Å²	180	135.6 Å²	135.6	78%	0.783	67%	0.674	S	S	*	*				78.6	155	89	-90.4	-160.1	143.1	-130.8	0	115.8
2174	P	42.6	Very low	36.4	Very low	82 Å²	82	140.7 Å²	140.7	53%	0.532	70%	0.7	S	S	.	*			cis	-141.1	-166	-27.9	36.2	-14.5	0	0	0	114.4
2175	T	32.9	Very low	36.2	Very low	107 Å²	107	143.2 Å²	143.2	66%	0.656	71%	0.708	S	S	*	*			trans	70.9	148.8	163.1	62.6	0	0	0	0	119.3
2176	D	31.5	Very low	35.7	Very low	117 Å²	117	144 Å²	144	63%	0.626	72%	0.72	S	S	*	*			cis	-162.2	157.9	-28.2	-105.4	-16.7	0	0	0	112.5
2177	K	34.3	Very low	35.3	Very low	137 Å²	137	151.2 Å²	151.2	60%	0.596	74%	0.743	S	S	*	*			trans	62.4	146.2	168.7	-68.6	170.8	-177.5	-179.8	0	116.1
2178	L	36.7	Very low	34.9	Very low	142 Å²	142	156.2 Å²	156.2	74%	0.743	75%	0.753	S	S	*	*			cis	-118.6	152.1	-18.2	-94.9	146	0	0	0	107.5
2179	K	44.9	Very low	34.6	Very low	214 Å²	214	152 Å²	152	93%	0.93	74%	0.736	S	S	*	*			trans	-127.7	109.1	-177.8	-67.1	-174.6	178	-176.5	0	109.7
2180	S	33.2	Very low	34.3	Very low	115 Å²	115	153 Å²	153	80%	0.804	73%	0.733	S	S	*	*			trans	-119.5	156.7	-165.4	41.4	0	0	0	0	112.9	E2182	S2180-E2182 PolarHBondContact O-N 3.15Å
2181	K	29.5	Very low	34.3	Very low	157 Å²	157	154 Å²	154	68%	0.683	74%	0.735	S	S	*	*			trans	-72.6	111.8	178.2	-57.3	162.7	177.7	173.7	0	109.9	E1169	E1169-K2181 IonicContact OE1-NZ 2.96Å; E1169-K2181 PolarHBondContact OE1-NZ 2.94Å
2182	E	32.2	Very low	34	Very low	162 Å²	162	153.2 Å²	153.2	76%	0.757	74%	0.737	S	S	*	*			trans	-167.4	78.5	149.2	-107.8	142.3	-168	0	0	110.6	S2180 K2185	S2180-E2182 PolarHBondContact O-N 3.15Å; E2182-K2185 HydrophobicContact CG-CB 4.47Å
2183	K	32.9	Very low	33.8	Very low	207 Å²	207	153.5 Å²	153.5	90%	0.9	74%	0.742	S	S	*	*	S	Bend	trans	-133.4	140.9	151.8	-70.9	-157.1	171.5	-146	0	105.8
2184	Q	30.5	Very low	33.2	Very low	203 Å²	203	155.4 Å²	155.4	95%	0.949	75%	0.746	S	S	*	*	S	Bend	trans	63.6	26.5	-156.2	-56.5	-176	-59.9	0	0	114.1
2185	K	32.8	Very low	32.6	Very low	132 Å²	132	157 Å²	157	57%	0.574	76%	0.759	S	S	*	*			trans	-153.3	138.8	131.9	-115.4	168.8	179	166.9	0	107.5	E2182	E2182-K2185 HydrophobicContact CG-CB 4.47Å
2186	V	28.7	Very low	32.6	Very low	98 Å²	98	155.7 Å²	155.7	59%	0.594	75%	0.754	S	S	*	*			cis	-104.4	142.7	3.6	-152.4	0	0	0	0	111.7	R2188 I2189	V2186-R2188 WeakPolarHBondContact CG1-O 3.4Å; V2186-I2189 HydrophobicContact CG1-CB 4.28Å; V2186-I2189 WeakPolarHBondContact CG1-O 3.46Å
2187	R	31.6	Very low	32.7	Very low	237 Å²	237	157.3 Å²	157.3	89%	0.894	76%	0.761	S	S	*	*	S	Bend	trans	-142.4	130.8	160.4	-82.9	-171.1	169.9	-167	-9.4	103.2
2188	R	29.2	Very low	32.6	Very low	230 Å²	230	156.9 Å²	156.9	87%	0.868	76%	0.761	S	S	*	*	S	Bend	trans	65.3	118	-152.2	-57	-172.5	175.1	-169.9	-3.8	113.4	V2186	V2186-R2188 WeakPolarHBondContact CG1-O 3.4Å
2189	I	31.2	Very low	32.4	Very low	116 Å²	116	153.4 Å²	153.4	60%	0.595	74%	0.74	S	S	*	*	S	Bend	trans	74.5	109.1	-163.4	-50.4	162.2	0	0	0	111.1	V2186	V2186-I2189 HydrophobicContact CG1-CB 4.28Å; V2186-I2189 WeakPolarHBondContact CG1-O 3.46Å
2190	T	31.2	Very low	31.8	Very low	109 Å²	109	147.9 Å²	147.9	67%	0.669	72%	0.72	S	S	*	*			cis	-131.3	142.6	3.2	38.2	0	0	0	0	107.5
2191	Q	39	Very low	31.7	Very low	169 Å²	169	150.1 Å²	150.1	79%	0.79	72%	0.722	S	S	*	*			cis	53.9	113.6	11.5	-90	170.9	-37.1	0	0	113.9
2192	L	29.9	Very low	31.8	Very low	153 Å²	153	149.8 Å²	149.8	80%	0.801	72%	0.724	S	S	*	*	S	Bend	trans	80	130.3	-142.7	-59.3	168.3	0	0	0	114.7
2193	N	31.5	Very low	31.7	Very low	157 Å²	157	149.1 Å²	149.1	84%	0.84	72%	0.722	S	S	*	*			trans	68	82	177.6	-61.1	116.9	0	0	0	116.8
2194	Y	30.5	Very low	31.7	Very low	219 Å²	219	145.9 Å²	145.9	86%	0.859	71%	0.712	S	S	*	*			trans	-126.7	-10.1	155.6	-129.3	-93.8	0	0	0	116.8	S2196	Y2194-S2196 PolarHBondContact O-N 2.94Å
2195	S	29.7	Very low	31.8	Very low	116 Å²	116	142.5 Å²	142.5	81%	0.811	70%	0.698	S	S	*	*			trans	-49.1	139.9	158.2	169	0	0	0	0	110.8
2196	S	33.6	Very low	31.7	Very low	80 Å²	80	143.2 Å²	143.2	56%	0.559	71%	0.706	S	S	*	*	S	Bend	trans	76.5	71	-167	-55.1	0	0	0	0	117.7	Y2194	Y2194-S2196 PolarHBondContact O-N 2.94Å
2197	I	34.7	Very low	31.9	Very low	150 Å²	150	146.2 Å²	146.2	77%	0.769	71%	0.713	S	S	*	*			trans	-166.7	77.6	131	-92.7	147.6	0	0	0	109.8
2198	Q	32	Very low	31.9	Very low	128 Å²	128	139.7 Å²	139.7	60%	0.598	70%	0.7	S	S	*	*	S	Bend	trans	-142.7	63.9	169.4	-118.8	-74.7	25.7	0	0	105.8
2199	F	31.9	Very low	32.1	Very low	69 Å²	69	132.8 Å²	132.8	30%	0.303	69%	0.687	S	S	.	*			trans	-168.8	6.3	-158	-134.2	-108.8	0	0	0	116.4	Y668 Y669 M672 E2146	Y668-F2199 HydrophobicContact CD1-CE1 4.02Å; Y668-F2199 HydrophobicContact CD1-CE2 4.24Å; Y668-F2199 AromaticContact CD1-CZ 3.55Å; Y668-F2199 HydrophobicContact CD1-CZ 3.55Å; Y668-F2199 HydrophobicContact CE1-CD1 4.38Å; Y668-F2199 AromaticContact CE1-CE1 3.65Å; Y668-F2199 HydrophobicContact CE1-CE1 3.65Å; Y668-F2199 HydrophobicContact CE1-CE2 4.23Å; Y668-F2199 AromaticContact CE1-CZ 3.58Å; Y668-F2199 HydrophobicContact CE1-CZ 3.58Å; Y669-F2199 HydrophobicContact CD1-CE1 4.43Å; Y669-F2199 HydrophobicContact CD2-CZ 4.5Å; Y669-F2199 AromaticContact CE1-CE1 3.59Å; Y669-F2199 HydrophobicContact CE1-CE1 3.59Å; Y669-F2199 HydrophobicContact CE1-CZ 4.11Å; Y669-F2199 HydrophobicContact CE2-CE1 4.07Å; Y669-F2199 AromaticContact CE2-CZ 3.8Å; Y669-F2199 HydrophobicContact CE2-CZ 3.8Å; Y669-F2199 AromaticContact CZ-CE1 3.35Å; Y669-F2199 AromaticContact CZ-CZ 3.58Å; Y669-F2199 WeakPolarHBondContact OH-CE1 3.45Å; M672-F2199 HydrophobicContact CE-CE1 4.41Å; E2146-F2199 PolarHBondContact OE1-N 3.15Å
2200	L	32.2	Very low	32.2	Very low	98 Å²	98	134.2 Å²	134.2	51%	0.513	70%	0.695	S	S	.	*			trans	-174.5	107.4	-169.9	-165.8	-160.7	0	0	0	114.6	F643 E2146	F643-L2200 HydrophobicContact CD1-CD1 4.39Å; F643-L2200 HydrophobicContact CD1-CG 4.24Å; F643-L2200 HydrophobicContact CE1-CD1 3.57Å; F643-L2200 HydrophobicContact CE1-CD2 4.16Å; F643-L2200 HydrophobicContact CE1-CG 3.59Å; F643-L2200 HydrophobicContact CE2-CD1 4.12Å; F643-L2200 HydrophobicContact CZ-CD1 3.42Å; F643-L2200 VanDerWaalsContact CZ-CD1 3.42Å; F643-L2200 HydrophobicContact CZ-CG 4.01Å; E2146-L2200 PolarHBondContact OE1-N 3.45Å
2201	I	30.2	Very low	32.3	Very low	162 Å²	162	136.5 Å²	136.5	83%	0.831	70%	0.698	S	S	*	*			cis	59.8	0	1.8	-77.7	172.8	0	0	0	120.3	E2146	E2146-I2201 HydrophobicContact CB-CD1 4.01Å; E2146-I2201 HydrophobicContact CG-CD1 4.23Å; E2146-I2201 WeakPolarHBondContact OE2-CD1 3.31Å; E2146-I2201 WeakPolarHBondContact OE2-CG1 3.32Å

Retrieved 2,201 of 2,201 residues in 1000.8 ms (Link to these results)

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