A0A5K4FAB9_SCHMA Loading...

HATPase_c domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FAB9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,600 aa.

						>A0A5K4FAB9_SCHMA|A0A5K4FAB9
MGRPWDLSLVLSLVVVTVLACVFCDPSSLLSDIPVSRPNEGLSTASDTLTKEGEAISLDGLSVEQLKQAREHAEKRQFEAEVDRMMKIIVNSLYKNKEIFLRELISNASDALDKVRVLSLTNNEMLNESDEMSIRIKANKDARTLHIIDTGIGMTEAELTSNLGTIAKSGTSEFLTKIAQTNTASEKSDLIGQFGVGFYSSFLVANKVLVVSKSDNDDQHIWESNSTSFVVYKDPRGNTLKRGTEIVLYLTEEAEDYLQPETLKEVVKKYSQFINFPIYVWSSRVESKVVDTEEKEDSKTADSEASVEEESGKKSEGKTVENVVWDWVRVNANKPIWKRKPTDVTDKEYNELFRAYSNDNDDPLAKIHFSGEGDVLFSSILYIPKHPPTNIFQMHNTHSDRIKLYVRRVYISDAAEDLLPKYLAFVFGIVDSDELPLNVSREMLQQNKLLKMIKKRLVKKVIQMISELSESQFKNFWKEYSVNIKLGIIDDLPNRTKLSKFLRFWTSNSTENQSSLADYVSRMKNGQEDIYYLTAASIAEAKSSPFVERLIKKGYEVIYMIDPVDEYMLQSLTEYDKKKLRNVAKGTIELDKSEEAKTRKEELEKEFKPLLEWFKENLKEYVDKTALSERLSNTPCALVANEFGWSGNMERIMTAQAYQRGGDASSTYYSTMKKVFEINPRHPVMKKLNVLIKTNKDDPTISHTANLLFDVAVLRSGFSVKNPVAFAERVESVVKKSLDIDQNELLDEEPETDESEKSVTDEVNKESISNEDSTKEKSEASSQIDIHGVTEFYDNENNWTLNKTETNQFLEDNQIIESFENNITPDLLITSDCPTCRRLLGCSSRIHGHQTDRNSKVDQIDNNVDDDKDEDDYNESETTEMTNDSDNDDDDDDDGEDKDDDPRNYLGEKIYESKIKSTFRHMRKLEESKDNDNNGDVDNNTGYHECLSICASRHGKKLDLRRTPNSEDDDSKGEEDEDQLKGSTVESTTENKLVHNKNKKQLSNLKNIPEIHKNKLEADVKALNEKLQISKEHHVKYNEPKSEKITKIQNTDELYDIDEDDNDDSNDDDDDDDDDDDDGNKDHEDDIDDDQEDENEKLADNYSNDNDKHDTNKVLKPGYKKSIQNGQPPIHKTTNKKLSNDDVEDYDYDDSNDDDDGDDDTDEVGDDNENDDVHNQSNDVTSNKKVSKIDQHKNIKTTVDQFEDDEYDETDDSDPDNDIEEESEDDQPEDLDLEISPEEGYEDVDDPDYSDWIEADEELNPNWPGVRKLMAVKTTTTTPSKSKSHSETTNEHTKNKKVSSKTATNVKTISKTPSSKLSENSKTKQSKDKPSSTHHQQNQPDKLKSSTLASSKHTEDHHSKKAAHKTVPSQDKLKTPVTTNTNSKSSTQKPKPARIIGNINDHDCDGIPDDIDEDIDNDGLLDRTQDSDWDGLLNHVDEDDDNDGIPDIEDEDANGDGIPDCRSDVSDLKLKVRYKKKMRKIDSDFDGVPDDVDGDDDNDGIPDIMEDEDKDQIPDFLGLTRTDFLKGVSTKELNRRMNKRGWFDHDCDGIPDNLDPDDDNDGYFDSKQDSDRDGILNEFDDDDDNDGIPDSEDPDSNGDGIPDCIVKDSDGDHIPDHIDTDDDNDGIPDLQDPDHPNFDYLRDSDRDGIPDTLDMDDDNDGIPDSMDFDSDGDGSDDLFQDIDKDGVPDSVDDDMNNDGIPDHKQDHDCDGIPDIVDPDDDNDGYFDTKQDSDNDGLLNEWDDDDDNDGIPDVDDEDSNGDGIIDCQPHDSDNDGIPDHIDEDDDNDGIPDQRDPDSMSFLLYKHKRFLEAIPAHIARQEANLLNVDLGDPNDKDCDGIPDHIDNDLDNDGKIDRTQDSDMDGLLNHVDEDDDNDGIPDVLDPDANGDGIPDCRRDGGLHYKLVKSPSGLIKKVLRIREPTQEEQHQAYIVNEAKRKLIRIRAKLREPLPKNTIQAIPSFDFNDNMNDNPDHHNNQHQNANELKSKTKSVNSKSVQSNINSKNQNNIKHNSNNKQENGGNQNSKKTSKEGIKSTGSPSLKQSNQQQLPIKHVKEQNTVKLNNKQQNRKLAESFTPNENTDSFYSLNEDILLNIHDMNHDDDHVTTPLDNVNDDDDDDGIENDQEVNLADTNLKTSIFGSFLLPGAEASTTDEVTGLHKKNIKKMKQNEAIKMKPTDKLKSKEKQKVNVNNKRLHSAKNKQSCDVHSCQTTKNNQQKKIHRKSHSITNYLSRHDEGDHDDEDETSLDSDGDGIPDYMEDENGDGIPDYLEDDDNDGIPDHLESDSDGDGIPDYMEDDDGDGVPNYLEDEDEDGIPDYMEIADRNNNGIPDNLEMKDSDNDGIIDLYDDDDDNDGIPDDQDDDDDNDGVKDYHEDKNVNQKLDILEAKDTDGDGIPDYLDDDDDGDGIPDCDDDDDDGDGILDTDEDENRNKIPDHLETEDTDGDGIIDLLDTDDDNDDIPDYLDSDSDGDGTDDKKHDRDRHKTTNSKETDKKNKETKTIAHSSSPKSQPQGHSKSKSSPRKTKEDHDNEDSSINSDNDDDDDNNEDEDDDDGENDGKPMTKTRSIVLSILKRIENIFGVEDDDSGHDTEEDDSLEEIHDH
					

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(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	30.5	Very low	35.4	Very low	251 Å²	251	135.7 Å²	135.7	100%	1.236	72%	0.719	S	S	*	*				0	133	0	-63.2	176.4	179.5	0	0	105.3
2	G	30.5	Very low	35.8	Very low	82 Å²	82	130.1 Å²	130.1	85%	0.845	70%	0.699	S	S	*	*			cis	-116.1	-143.8	4.5	0	0	0	0	0	115.2
3	R	37.2	Very low	35.8	Very low	204 Å²	204	127.6 Å²	127.6	77%	0.77	69%	0.685	S	S	*	*			trans	-132.4	172.4	-179.2	-86.4	-173.1	178.9	-140.5	-0.8	106.8
4	P	41.1	Very low	36.4	Very low	79 Å²	79	123.6 Å²	123.6	51%	0.513	67%	0.667	S	S	.	*			cis	-132.2	-179.7	25.1	42.9	-21.7	0	0	0	113.6
5	W	27.8	Very low	36.7	Very low	194 Å²	194	120.6 Å²	120.6	74%	0.735	65%	0.654	S	S	*	*				47.8	131.2	88.6	-36.8	-26.3	0	0	0	113.8
6	D	32.7	Very low	36.8	Very low	121 Å²	121	118.4 Å²	118.4	65%	0.647	65%	0.646	S	S	*	*			cis	-135.5	142.3	13.3	-84.5	-66.4	0	0	0	113.6
7	L	34.1	Very low	36.8	Very low	148 Å²	148	116.4 Å²	116.4	78%	0.775	64%	0.638	S	S	*	*	S	Bend	trans	-137.6	13.1	159.7	-146.3	87.3	0	0	0	111.4	L9	L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 3.28Å
8	S	38.1	Very low	36.8	Very low	96 Å²	96	115.4 Å²	115.4	67%	0.671	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	10.1	-170.8	-171.8	0	0	0	0	113.3
9	L	35.1	Very low	36.4	Very low	112 Å²	112	114.2 Å²	114.2	59%	0.586	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.5	-34.8	-166.8	-155.9	142.6	0	0	0	113.5	L7 S12 L13	L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 3.28Å; L9-S12 CarbonylContact O-C 3.38Å; L9-S12 WeakPolarHBondContact O-CA 3.25Å; L9-S12 WeakPolarHBondContact O-CB 3.11Å; L9-S12 PolarHBondContact O-N 2.88Å; L9-L13 HydrophobicContact CD2-CD1 4.33Å; L9-L13 PolarHBondContact O-N 3.46Å
10	V	43.3	Very low	36.1	Very low	66 Å²	66	112.3 Å²	112.3	40%	0.4	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.4	-49.4	174.7	-176	0	0	0	0	111	S12 L13 V14	V10-S12 PolarHBondContact O-N 3.11Å; V10-S12 VanDerWaalsContact O-N 3.09Å; V10-L13 WeakPolarHBondContact O-CB 3.41Å; V10-L13 PolarHBondContact O-N 2.65Å; V10-V14 PolarHBondContact O-N 3.23Å
11	L	38.6	Very low	36	Very low	140 Å²	140	112.7 Å²	112.7	73%	0.733	64%	0.637	S	S	*	*	H	α-helix	trans	-64.1	-14	171.6	-155.4	75.8	0	0	0	112.9	V15	L11-V15 WeakPolarHBondContact O-CB 3.2Å; L11-V15 WeakPolarHBondContact O-CG2 3.21Å
12	S	40.3	Very low	36.1	Very low	68 Å²	68	105.8 Å²	105.8	48%	0.476	61%	0.608	S	S	.	*	H	α-helix	trans	-91.3	-1.4	171.8	-173.1	0	0	0	0	113.3	L9 V10 V16	L9-S12 CarbonylContact O-C 3.38Å; L9-S12 WeakPolarHBondContact O-CA 3.25Å; L9-S12 WeakPolarHBondContact O-CB 3.11Å; L9-S12 PolarHBondContact O-N 2.88Å; V10-S12 PolarHBondContact O-N 3.11Å; V10-S12 VanDerWaalsContact O-N 3.09Å; S12-V16 WeakPolarHBondContact O-CG2 3.36Å
13	L	35.8	Very low	35.9	Very low	98 Å²	98	108.7 Å²	108.7	51%	0.513	60%	0.598	S	S	.	*	H	α-helix	trans	-108.5	-43.6	-176.9	-134.1	154.7	0	0	0	111.1	L9 V10 V15 V16 T17	L9-L13 HydrophobicContact CD2-CD1 4.33Å; L9-L13 PolarHBondContact O-N 3.46Å; V10-L13 WeakPolarHBondContact O-CB 3.41Å; V10-L13 PolarHBondContact O-N 2.65Å; L13-V15 VanDerWaalsContact C-N 3.3Å; L13-V15 PolarHBondContact O-N 3.17Å; L13-V16 CarbonylContact O-C 3.38Å; L13-V16 WeakPolarHBondContact O-CA 3.28Å; L13-V16 PolarHBondContact O-N 3.18Å; L13-T17 PolarHBondContact O-N 3.11Å; L13-T17 PolarHBondContact O-OG1 3.19Å
14	V	44.1	Very low	35.6	Very low	72 Å²	72	105 Å²	105	44%	0.436	60%	0.602	S	S	.	*	H	α-helix	trans	-59.3	-41.8	168.2	-177	0	0	0	0	110.9	V10 V16 T17 V18	V10-V14 PolarHBondContact O-N 3.23Å; V14-V16 PolarHBondContact O-N 3.23Å; V14-V16 VanDerWaalsContact O-N 3.17Å; V14-T17 PolarHBondContact O-N 3.33Å; V14-T17 PolarHBondContact O-OG1 3.24Å; V14-T17 VanDerWaalsContact O-OG1 3.04Å; V14-V18 WeakPolarHBondContact O-CG2 3.4Å; V14-V18 PolarHBondContact O-N 2.99Å; V14-V18 VanDerWaalsContact O-N 3.17Å
15	V	41	Very low	35.1	Very low	78 Å²	78	108.9 Å²	108.9	47%	0.473	62%	0.619	S	S	.	*	H	α-helix	trans	-70	-7	174.2	176.7	0	0	0	0	112.9	L11 L13 L19	L11-V15 WeakPolarHBondContact O-CB 3.2Å; L11-V15 WeakPolarHBondContact O-CG2 3.21Å; L13-V15 VanDerWaalsContact C-N 3.3Å; L13-V15 PolarHBondContact O-N 3.17Å; V15-L19 WeakPolarHBondContact O-CB 3.18Å
16	V	38.7	Very low	35.3	Very low	86 Å²	86	105 Å²	105	52%	0.521	62%	0.618	S	S	.	*	H	α-helix	trans	-104.4	-30.6	175.7	163.8	0	0	0	0	112.6	S12 L13 V14 A20	S12-V16 WeakPolarHBondContact O-CG2 3.36Å; L13-V16 CarbonylContact O-C 3.38Å; L13-V16 WeakPolarHBondContact O-CA 3.28Å; L13-V16 PolarHBondContact O-N 3.18Å; V14-V16 PolarHBondContact O-N 3.23Å; V14-V16 VanDerWaalsContact O-N 3.17Å; V16-A20 PolarHBondContact O-N 2.95Å
17	T	36.8	Very low	35.1	Very low	84 Å²	84	105.1 Å²	105.1	52%	0.515	63%	0.629	S	S	.	*	H	α-helix	trans	-68.3	-45.5	169.7	46.2	0	0	0	0	111	L13 V14 L19 A20	L13-T17 PolarHBondContact O-N 3.11Å; L13-T17 PolarHBondContact O-OG1 3.19Å; V14-T17 PolarHBondContact O-N 3.33Å; V14-T17 PolarHBondContact O-OG1 3.24Å; V14-T17 VanDerWaalsContact O-OG1 3.04Å; T17-L19 VanDerWaalsContact C-N 3.26Å; T17-L19 PolarHBondContact O-N 3.42Å; T17-A20 WeakPolarHBondContact O-CB 3.45Å; T17-A20 PolarHBondContact O-N 3.13Å
18	V	37	Very low	34.8	Very low	98 Å²	98	103.6 Å²	103.6	59%	0.594	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-62.9	-31.7	175.2	177.8	0	0	0	0	112.2	V14 A20	V14-V18 WeakPolarHBondContact O-CG2 3.4Å; V14-V18 PolarHBondContact O-N 2.99Å; V14-V18 VanDerWaalsContact O-N 3.17Å; V18-A20 VanDerWaalsContact C-N 3.3Å; V18-A20 PolarHBondContact O-N 3.24Å
19	L	29.5	Very low	34.4	Very low	92 Å²	92	106.9 Å²	106.9	48%	0.482	64%	0.64	S	S	.	*	G	3₁₀ helix	trans	-77	-8.8	175.3	-111.1	71.4	0	0	0	114.7	V15 T17	V15-L19 WeakPolarHBondContact O-CB 3.18Å; T17-L19 VanDerWaalsContact C-N 3.26Å; T17-L19 PolarHBondContact O-N 3.42Å
20	A	30.9	Very low	34.3	Very low	76 Å²	76	109.5 Å²	109.5	63%	0.628	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-80.2	-26.9	-175.8	0	0	0	0	0	113.5	V16 T17 V18	V16-A20 PolarHBondContact O-N 2.95Å; T17-A20 WeakPolarHBondContact O-CB 3.45Å; T17-A20 PolarHBondContact O-N 3.13Å; V18-A20 VanDerWaalsContact C-N 3.3Å; V18-A20 PolarHBondContact O-N 3.24Å
21	C	32.1	Very low	33.6	Very low	121 Å²	121	111 Å²	111	82%	0.818	67%	0.666	S	S	*	*	S	Bend	trans	-90.6	-8.1	-172.7	-64.2	0	0	0	0	114.9
22	V	32.5	Very low	33.4	Very low	106 Å²	106	111.5 Å²	111.5	64%	0.642	67%	0.67	S	S	*	*	S	Bend	trans	-106.7	18.3	-170.1	-160.2	0	0	0	0	113.1
23	F	26.9	Very low	33.1	Very low	143 Å²	143	115.9 Å²	115.9	63%	0.627	69%	0.686	S	S	*	*			trans	-137.2	68.9	-178.2	-86.2	-70.4	0	0	0	114.6
24	C	30.9	Very low	33	Very low	128 Å²	128	116.3 Å²	116.3	87%	0.865	70%	0.695	S	S	*	*			trans	-154.4	92.9	155.2	-147.4	0	0	0	0	111.8
25	D	30.1	Very low	32.5	Very low	160 Å²	160	119.5 Å²	119.5	86%	0.856	71%	0.714	S	S	*	*			trans	-59.5	140.1	175.8	-84.3	-52.1	0	0	0	112.2
26	P	33.8	Very low	32.2	Very low	111 Å²	111	121.7 Å²	121.7	72%	0.721	73%	0.733	S	S	*	*	S	Bend	trans	-72.8	164.2	-179.6	29.9	-35.2	0	0	0	113.7
27	S	28.4	Very low	32	Very low	125 Å²	125	128.9 Å²	128.9	87%	0.874	75%	0.751	S	S	*	*			trans	73.3	60.5	162.6	-58.1	0	0	0	0	119.1
28	S	27.8	Very low	32.2	Very low	115 Å²	115	130.1 Å²	130.1	80%	0.804	76%	0.761	S	S	*	*			trans	-144.4	34.7	161.9	73.6	0	0	0	0	119.6
29	L	29.9	Very low	31.9	Very low	166 Å²	166	131.5 Å²	131.5	87%	0.869	77%	0.765	S	S	*	*			trans	-158.4	97.4	156.6	-119.2	163	0	0	0	115.1
30	L	33	Very low	32	Very low	167 Å²	167	135.4 Å²	135.4	87%	0.874	78%	0.78	S	S	*	*			trans	-106.1	146	167.9	-156	77.1	0	0	0	110
31	S	27.3	Very low	32.1	Very low	96 Å²	96	135.3 Å²	135.3	67%	0.671	79%	0.787	S	S	*	*			trans	65.4	137.9	-171.7	71.9	0	0	0	0	114.3
32	D	34.2	Very low	32.4	Very low	151 Å²	151	137.9 Å²	137.9	81%	0.807	79%	0.792	S	S	*	*			cis	-162.8	168.6	32.4	-145.2	-6.6	0	0	0	111.8
33	I	34.7	Very low	32.9	Very low	160 Å²	160	137.7 Å²	137.7	82%	0.821	80%	0.795	S	S	*	*			trans	93.3	137.6	170.8	-58.2	171.7	0	0	0	117.5
34	P	33.4	Very low	33.6	Very low	108 Å²	108	137.2 Å²	137.2	70%	0.701	80%	0.804	S	S	*	*			trans	-134.6	162.1	-145.2	42.2	-24.6	0	0	0	119.3
35	V	33.1	Very low	34.3	Very low	138 Å²	138	134.3 Å²	134.3	84%	0.836	79%	0.789	S	S	*	*			trans	39.6	108.8	145.2	-174.7	0	0	0	0	119.2
36	S	34.9	Very low	35.2	Very low	125 Å²	125	129.6 Å²	129.6	87%	0.874	77%	0.769	S	S	*	*			trans	-148.1	166.4	140.7	-109.5	0	0	0	0	112.2
37	R	35.3	Very low	36	Very low	237 Å²	237	129.6 Å²	129.6	89%	0.894	76%	0.763	S	S	*	*			trans	-85.2	156.3	-166.3	-73	-179.8	176.2	-170.1	-5.9	113.6
38	P	40.3	Very low	37.1	Very low	110 Å²	110	127.1 Å²	127.1	71%	0.714	74%	0.742	S	S	*	*			trans	-79.1	165.3	-174.6	34.3	-38.6	0	0	0	113.6
39	N	32.1	Very low	37.9	Very low	127 Å²	127	127.6 Å²	127.6	68%	0.679	74%	0.735	S	S	*	*				-173.1	149.3	117.2	-104.5	37.5	0	0	0	110.8
40	E	31.2	Very low	38.8	Very low	174 Å²	174	123.3 Å²	123.3	81%	0.813	72%	0.716	S	S	*	*			trans	55.6	120.2	154.6	-63.1	150.4	-121.8	0	0	118.7
41	G	32.3	Very low	39.7	Very low	74 Å²	74	122 Å²	122	76%	0.763	70%	0.703	S	S	*	*			trans	-176.6	-22	172.7	0	0	0	0	0	122.7
42	L	38	Very low	40.5	Very low	175 Å²	175	123.7 Å²	123.7	92%	0.916	70%	0.7	S	S	*	*			trans	-164.2	135.4	170.6	-140.8	70.3	0	0	0	111.6
43	S	43.3	Very low	41.2	Very low	102 Å²	102	118.3 Å²	118.3	71%	0.713	68%	0.681	S	S	*	*			trans	-136.7	102.8	179.2	53.9	0	0	0	0	109.7
44	T	41.2	Very low	41.9	Very low	132 Å²	132	115.4 Å²	115.4	81%	0.81	66%	0.664	S	S	*	*	S	Bend	trans	-172.4	26.3	171.4	2.7	0	0	0	0	111.4
45	A	46.5	Very low	42.6	Very low	67 Å²	67	114.1 Å²	114.1	55%	0.554	66%	0.662	S	S	*	*	S	Bend	trans	-156	19.6	-173.9	0	0	0	0	0	113
46	S	49.4	Very low	43.3	Very low	62 Å²	62	112.3 Å²	112.3	43%	0.434	65%	0.646	S	S	.	*	S	Bend	trans	-91.4	-42.8	170	34.8	0	0	0	0	110.5	T48 L49 T50	S46-T48 VanDerWaalsContact C-N 3.3Å; S46-T48 PolarHBondContact O-N 2.92Å; S46-L49 CarbonylContact O-C 3.34Å; S46-L49 WeakPolarHBondContact O-CA 3.21Å; S46-L49 WeakPolarHBondContact O-CB 3.31Å; S46-L49 PolarHBondContact O-N 3.5Å; S46-T50 PolarHBondContact O-N 3.43Å; S46-T50 VanDerWaalsContact O-N 3.11Å
47	D	49.1	Very low	44.2	Very low	111 Å²	111	110.1 Å²	110.1	59%	0.594	63%	0.631	S	S	*	*	H	α-helix	trans	-78.9	-18.8	-166.3	-44.7	4.7	0	0	0	111.5	T50 K51	D47-T50 PolarHBondContact O-OG1 2.74Å; D47-T50 VanDerWaalsContact O-OG1 3.11Å; D47-K51 WeakPolarHBondContact O-CB 3.3Å; D47-K51 PolarHBondContact O-N 2.72Å; D47-K51 VanDerWaalsContact O-N 3.12Å
48	T	51.8	Low	45.1	Very low	72 Å²	72	103.6 Å²	103.6	44%	0.442	61%	0.613	S	S	.	*	H	α-helix	trans	-74.8	-33.3	164.3	54.9	0	0	0	0	111.7	S46 T50 K51 E52	S46-T48 VanDerWaalsContact C-N 3.3Å; S46-T48 PolarHBondContact O-N 2.92Å; T48-T50 VanDerWaalsContact C-N 3.31Å; T48-T50 PolarHBondContact O-N 2.82Å; T48-K51 PolarHBondContact O-N 3.22Å; T48-E52 WeakPolarHBondContact O-CB 3.3Å; T48-E52 WeakPolarHBondContact O-CG 3.22Å; T48-E52 PolarHBondContact O-N 3.39Å
49	L	45.9	Very low	46	Very low	125 Å²	125	105.4 Å²	105.4	65%	0.654	62%	0.617	S	S	*	*	H	α-helix	trans	-80.1	-9	176.5	-79.3	170.1	0	0	0	113.7	S46	S46-L49 CarbonylContact O-C 3.34Å; S46-L49 WeakPolarHBondContact O-CA 3.21Å; S46-L49 WeakPolarHBondContact O-CB 3.31Å; S46-L49 PolarHBondContact O-N 3.5Å
50	T	48.7	Very low	47.5	Very low	76 Å²	76	103.2 Å²	103.2	47%	0.466	63%	0.625	S	S	.	*	H	α-helix	trans	-89	-45.9	161.7	57.9	0	0	0	0	110.6	S46 D47 T48 E52 G53 E54	S46-T50 PolarHBondContact O-N 3.43Å; S46-T50 VanDerWaalsContact O-N 3.11Å; D47-T50 PolarHBondContact O-OG1 2.74Å; D47-T50 VanDerWaalsContact O-OG1 3.11Å; T48-T50 VanDerWaalsContact C-N 3.31Å; T48-T50 PolarHBondContact O-N 2.82Å; T50-E52 PolarHBondContact O-N 3.4Å; T50-G53 CarbonylContact O-C 3.58Å; T50-G53 VanDerWaalsContact O-CA 3.3Å; T50-G53 WeakPolarHBondContact O-CA 3.38Å; T50-G53 PolarHBondContact O-N 3.34Å; T50-E54 WeakPolarHBondContact O-CG 3.28Å; T50-E54 PolarHBondContact O-N 3.06Å
51	K	51.5	Low	49.5	Very low	139 Å²	139	98.8 Å²	98.8	60%	0.604	61%	0.606	S	S	*	*	H	α-helix	trans	-66.5	-32	178.2	-80	-168.3	167.5	-63.7	0	115.2	D47 T48 G53 E54 A55	D47-K51 WeakPolarHBondContact O-CB 3.3Å; D47-K51 PolarHBondContact O-N 2.72Å; D47-K51 VanDerWaalsContact O-N 3.12Å; T48-K51 PolarHBondContact O-N 3.22Å; K51-G53 PolarHBondContact O-N 2.96Å; K51-E54 WeakPolarHBondContact CG-OE2 3.47Å; K51-E54 IonicContact NZ-OE2 2.67Å; K51-E54 PolarHBondContact O-N 3.36Å; K51-A55 WeakPolarHBondContact O-CB 3.23Å; K51-A55 PolarHBondContact O-N 3.14Å
52	E	44.5	Very low	51.5	Low	132 Å²	132	98.1 Å²	98.1	62%	0.617	59%	0.59	S	S	*	*	H	α-helix	trans	-74.2	-7.1	169.1	-68.6	163	-159.9	0	0	112.4	T48 T50	T48-E52 WeakPolarHBondContact O-CB 3.3Å; T48-E52 WeakPolarHBondContact O-CG 3.22Å; T48-E52 PolarHBondContact O-N 3.39Å; T50-E52 PolarHBondContact O-N 3.4Å
53	G	48.1	Very low	52.9	Low	38 Å²	38	93.9 Å²	93.9	39%	0.392	57%	0.571	S	S	.	*	H	α-helix	trans	-99.7	-20.1	169.7	0	0	0	0	0	114.1	T50 K51	T50-G53 CarbonylContact O-C 3.58Å; T50-G53 VanDerWaalsContact O-CA 3.3Å; T50-G53 WeakPolarHBondContact O-CA 3.38Å; T50-G53 PolarHBondContact O-N 3.34Å; K51-G53 PolarHBondContact O-N 2.96Å
54	E	49.6	Very low	54.1	Low	100 Å²	100	95.4 Å²	95.4	47%	0.467	57%	0.567	S	S	.	*	H	α-helix	trans	-85.3	-20.4	174.2	-69.6	155	-158.5	0	0	112.2	T50 K51 I56	T50-E54 WeakPolarHBondContact O-CG 3.28Å; T50-E54 PolarHBondContact O-N 3.06Å; K51-E54 WeakPolarHBondContact CG-OE2 3.47Å; K51-E54 IonicContact NZ-OE2 2.67Å; K51-E54 PolarHBondContact O-N 3.36Å; E54-I56 PolarHBondContact O-N 3.02Å
55	A	47.4	Very low	55.7	Low	80 Å²	80	94 Å²	94	66%	0.661	55%	0.551	S	S	*	*	S	Bend	trans	-95.1	27.4	-172.8	0	0	0	0	0	115.1	K51	K51-A55 WeakPolarHBondContact O-CB 3.23Å; K51-A55 PolarHBondContact O-N 3.14Å
56	I	48.9	Very low	56.9	Low	100 Å²	100	91.7 Å²	91.7	51%	0.513	53%	0.53	S	S	.	.			trans	-142.5	88.7	165.5	-51.4	177.2	0	0	0	107.5	E54 L58	E54-I56 PolarHBondContact O-N 3.02Å; I56-L58 HydrophobicContact CG2-CD1 4.07Å
57	S	53.3	Low	58.1	Low	79 Å²	79	94.1 Å²	94.1	55%	0.552	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-63.1	137.8	149.4	-138.9	0	0	0	0	107.6
58	L	54.3	Low	59.4	Low	100 Å²	100	94.3 Å²	94.3	52%	0.524	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-97.4	143.8	136.1	-82.2	75.5	0	0	0	103.6	I56	I56-L58 HydrophobicContact CG2-CD1 4.07Å
59	D	58.5	Low	60.5	Low	148 Å²	148	93.4 Å²	93.4	79%	0.791	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	158.2	-179.2	-55.6	-63.6	0	0	0	111.3	L61	D59-L61 VanDerWaalsContact C-N 3.28Å; D59-L61 PolarHBondContact O-N 3.35Å
60	G	64.3	Low	61.8	Low	82 Å²	82	94.1 Å²	94.1	85%	0.845	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	-6.6	-174.4	0	0	0	0	0	117.5
61	L	73.4	Confident	63.3	Low	80 Å²	80	97.7 Å²	97.7	42%	0.419	54%	0.535	S	S	.	.			trans	-132.6	109.9	-175.5	-76.5	171.8	0	0	0	115.3	D59 Q65 L66	D59-L61 VanDerWaalsContact C-N 3.28Å; D59-L61 PolarHBondContact O-N 3.35Å; L61-Q65 HydrophobicContact CD2-CB 4.07Å; L61-L66 HydrophobicContact CB-CB 4.25Å; L61-L66 HydrophobicContact CB-CD1 4.3Å; L61-L66 HydrophobicContact CB-CG 4.07Å
62	S	74.8	Confident	64.6	Low	61 Å²	61	98.6 Å²	98.6	43%	0.427	54%	0.541	S	S	.	.			trans	-57.8	151	176.5	75.3	0	0	0	0	112.9	E64 Q65 L66	S62-E64 PolarHBondContact O-N 2.77Å; S62-Q65 VanDerWaalsContact N-OE1 3.09Å; S62-Q65 PolarHBondContact O-N 2.86Å; S62-Q65 PolarHBondContact OG-N 3.07Å; S62-Q65 PolarHBondContact OG-OE1 2.66Å; S62-L66 VanDerWaalsContact O-CB 3.31Å; S62-L66 WeakPolarHBondContact O-CB 3.32Å; S62-L66 PolarHBondContact O-N 2.62Å
63	V	66.8	Low	66.3	Low	85 Å²	85	95.7 Å²	95.7	52%	0.515	54%	0.54	S	S	.	.	H	α-helix	trans	-56	-27.5	-177.7	-177.3	0	0	0	0	113	K67	V63-K67 WeakPolarHBondContact O-CB 3.19Å; V63-K67 PolarHBondContact O-N 3.02Å
64	E	68.7	Low	68	Low	135 Å²	135	100.4 Å²	100.4	63%	0.631	55%	0.551	S	S	*	*	H	α-helix	trans	-77.3	-45.6	174.2	-65.7	-115	125.7	0	0	112.4	S62 K67 Q68	S62-E64 PolarHBondContact O-N 2.77Å; E64-K67 PolarHBondContact O-N 2.86Å; E64-Q68 WeakPolarHBondContact O-CG 3.31Å; E64-Q68 PolarHBondContact O-N 2.98Å
65	Q	74.3	Confident	69.6	Low	102 Å²	102	105.5 Å²	105.5	48%	0.477	57%	0.572	S	S	.	*	H	α-helix	trans	-62.5	-50	173.8	-73.4	156.5	-50.3	0	0	110.9	L61 S62 K67 Q68 A69	L61-Q65 HydrophobicContact CD2-CB 4.07Å; S62-Q65 VanDerWaalsContact N-OE1 3.09Å; S62-Q65 PolarHBondContact O-N 2.86Å; S62-Q65 PolarHBondContact OG-N 3.07Å; S62-Q65 PolarHBondContact OG-OE1 2.66Å; Q65-K67 PolarHBondContact O-N 3Å; Q65-Q68 CarbonylContact O-C 3.33Å; Q65-Q68 PolarHBondContact O-N 3.48Å; Q65-A69 WeakPolarHBondContact O-CB 3.48Å; Q65-A69 PolarHBondContact O-N 3.28Å
66	L	72.7	Confident	71.4	Confident	19 Å²	19	110.7 Å²	110.7	10%	0.099	57%	0.574	C	S	.	*	H	α-helix	trans	-59.8	-33	-179.6	-142.3	177.5	0	0	0	111.2	L61 S62 R70	L61-L66 HydrophobicContact CB-CB 4.25Å; L61-L66 HydrophobicContact CB-CD1 4.3Å; L61-L66 HydrophobicContact CB-CG 4.07Å; S62-L66 VanDerWaalsContact O-CB 3.31Å; S62-L66 WeakPolarHBondContact O-CB 3.32Å; S62-L66 PolarHBondContact O-N 2.62Å; L66-R70 HydrophobicContact CD2-CG 4.17Å; L66-R70 VanDerWaalsContact O-CB 3.28Å; L66-R70 WeakPolarHBondContact O-CB 3.49Å; L66-R70 WeakPolarHBondContact O-CD 3.25Å; L66-R70 WeakPolarHBondContact O-CG 3.3Å; L66-R70 PolarHBondContact O-N 2.62Å
67	K	73.1	Confident	73.2	Confident	112 Å²	112	114.3 Å²	114.3	49%	0.487	59%	0.589	S	S	.	*	H	α-helix	trans	-74.8	-42.4	171.7	177.7	-178.4	162.3	-152.5	0	113.1	V63 E64 Q65 R70 E71	V63-K67 WeakPolarHBondContact O-CB 3.19Å; V63-K67 PolarHBondContact O-N 3.02Å; E64-K67 PolarHBondContact O-N 2.86Å; Q65-K67 PolarHBondContact O-N 3Å; K67-R70 CarbonylContact O-C 3.2Å; K67-R70 PolarHBondContact O-N 2.89Å; K67-E71 WeakPolarHBondContact CE-OE1 3.49Å; K67-E71 WeakPolarHBondContact O-CG 3.41Å; K67-E71 PolarHBondContact O-N 2.91Å
68	Q	77.8	Confident	74.7	Confident	116 Å²	116	121.1 Å²	121.1	54%	0.542	61%	0.609	S	S	.	*	H	α-helix	trans	-62.1	-46.9	175	-73.9	179.9	68.9	0	0	110.7	E64 Q65 R70 E71 H72	E64-Q68 WeakPolarHBondContact O-CG 3.31Å; E64-Q68 PolarHBondContact O-N 2.98Å; Q65-Q68 CarbonylContact O-C 3.33Å; Q65-Q68 PolarHBondContact O-N 3.48Å; Q68-R70 PolarHBondContact O-N 3.12Å; Q68-E71 PolarHBondContact O-N 3.39Å; Q68-E71 VanDerWaalsContact O-N 3.08Å; Q68-H72 PolarHBondContact O-CD2 2.87Å; Q68-H72 VanDerWaalsContact O-CD2 3.28Å; Q68-H72 PolarHBondContact O-N 3.49Å
69	A	74.5	Confident	76.1	Confident	53 Å²	53	125.6 Å²	125.6	44%	0.438	63%	0.628	S	S	.	*	H	α-helix	trans	-54.6	-48.2	171.2	0	0	0	0	0	111.5	Q65 E71 H72 A73	Q65-A69 WeakPolarHBondContact O-CB 3.48Å; Q65-A69 PolarHBondContact O-N 3.28Å; A69-E71 VanDerWaalsContact C-N 3.33Å; A69-E71 PolarHBondContact O-N 3.33Å; A69-H72 CarbonylContact O-C 3.41Å; A69-H72 PolarHBondContact O-N 3.17Å; A69-A73 VanDerWaalsContact O-CB 3.24Å; A69-A73 WeakPolarHBondContact O-CB 3.49Å; A69-A73 PolarHBondContact O-N 2.81Å
70	R	73.5	Confident	77.2	Confident	140 Å²	140	121.8 Å²	121.8	53%	0.528	62%	0.617	S	S	.	*	H	α-helix	trans	-65.7	-27.2	175.5	-76.5	171.8	178.8	168.5	6.8	114.3	L66 K67 Q68	L66-R70 HydrophobicContact CD2-CG 4.17Å; L66-R70 VanDerWaalsContact O-CB 3.28Å; L66-R70 WeakPolarHBondContact O-CB 3.49Å; L66-R70 WeakPolarHBondContact O-CD 3.25Å; L66-R70 WeakPolarHBondContact O-CG 3.3Å; L66-R70 PolarHBondContact O-N 2.62Å; K67-R70 CarbonylContact O-C 3.2Å; K67-R70 PolarHBondContact O-N 2.89Å; Q68-R70 PolarHBondContact O-N 3.12Å
71	E	80	Confident	78.2	Confident	151 Å²	151	124 Å²	124	71%	0.706	61%	0.605	S	S	*	*	H	α-helix	trans	-79.1	-25.1	173	-75.2	-171	-149.9	0	0	112.6	K67 Q68 A69	K67-E71 WeakPolarHBondContact CE-OE1 3.49Å; K67-E71 WeakPolarHBondContact O-CG 3.41Å; K67-E71 PolarHBondContact O-N 2.91Å; Q68-E71 PolarHBondContact O-N 3.39Å; Q68-E71 VanDerWaalsContact O-N 3.08Å; A69-E71 VanDerWaalsContact C-N 3.33Å; A69-E71 PolarHBondContact O-N 3.33Å
72	H	78.5	Confident	78.7	Confident	158 Å²	158	124.2 Å²	124.2	73%	0.731	61%	0.609	S	S	*	*	H	α-helix	trans	-92.3	-19.4	174.4	-79	-79.9	0	0	0	114.6	Q68 A69 E74	Q68-H72 PolarHBondContact O-CD2 2.87Å; Q68-H72 VanDerWaalsContact O-CD2 3.28Å; Q68-H72 PolarHBondContact O-N 3.49Å; A69-H72 CarbonylContact O-C 3.41Å; A69-H72 PolarHBondContact O-N 3.17Å; H72-E74 PolarHBondContact O-N 2.88Å; H72-E74 VanDerWaalsContact O-N 3.13Å
73	A	79.3	Confident	79.1	Confident	71 Å²	71	125.3 Å²	125.3	59%	0.587	61%	0.61	S	S	*	*			trans	-65.9	106.7	-175.5	0	0	0	0	0	113.6	A69 K75	A69-A73 VanDerWaalsContact O-CB 3.24Å; A69-A73 WeakPolarHBondContact O-CB 3.49Å; A69-A73 PolarHBondContact O-N 2.81Å; A73-K75 PolarHBondContact O-N 3.25Å
74	E	84.4	Confident	80	Confident	137 Å²	137	129.3 Å²	129.3	64%	0.64	62%	0.616	S	S	*	*			trans	-76.5	104.7	172.3	-72.1	-157.1	148.8	0	0	111.7	H72 R76	H72-E74 PolarHBondContact O-N 2.88Å; H72-E74 VanDerWaalsContact O-N 3.13Å; E74-R76 WeakPolarHBondContact O-CG 3.41Å; E74-R76 PolarHBondContact O-N 3.26Å; E74-R76 IonicContact OE2-CZ 3.61Å; E74-R76 VanDerWaalsContact OE2-CZ 3.26Å; E74-R76 IonicContact OE2-NE 3.5Å; E74-R76 PolarHBondContact OE2-NE 2.89Å; E74-R76 IonicContact OE2-NH2 3.07Å; E74-R76 PolarHBondContact OE2-NH2 3.47Å
75	K	83.3	Confident	80.8	Confident	207 Å²	207	125.7 Å²	125.7	90%	0.9	60%	0.6	S	S	*	*			trans	-64.3	94.4	175.7	-172.3	159.4	-170.6	137.8	0	112.4	A73	A73-K75 PolarHBondContact O-N 3.25Å
76	R	85.5	Confident	81.3	Confident	188 Å²	188	121.6 Å²	121.6	71%	0.709	58%	0.581	S	S	*	*			trans	-77.7	174.6	171	-56.6	-45.5	-173.4	93	-4.5	111.3	E74	E74-R76 WeakPolarHBondContact O-CG 3.41Å; E74-R76 PolarHBondContact O-N 3.26Å; E74-R76 IonicContact OE2-CZ 3.61Å; E74-R76 VanDerWaalsContact OE2-CZ 3.26Å; E74-R76 IonicContact OE2-NE 3.5Å; E74-R76 PolarHBondContact OE2-NE 2.89Å; E74-R76 IonicContact OE2-NH2 3.07Å; E74-R76 PolarHBondContact OE2-NH2 3.47Å
77	Q	86.4	Confident	82	Confident	176 Å²	176	127.5 Å²	127.5	82%	0.822	61%	0.606	S	S	*	*			trans	-121.6	138.5	168.1	-58.3	-167	-72.8	0	0	107.3	E79	Q77-E79 PolarHBondContact O-N 2.6Å
78	F	84.2	Confident	82.6	Confident	223 Å²	223	126.2 Å²	126.2	98%	0.978	60%	0.603	S	S	*	*			trans	-61.8	119.1	172.7	-63.8	-79.5	0	0	0	109.7
79	E	83.9	Confident	82.9	Confident	194 Å²	194	121.1 Å²	121.1	91%	0.907	58%	0.58	S	S	*	*			trans	-95.1	140.9	167.5	-62	-164.6	173.3	0	0	108.4	Q77	Q77-E79 PolarHBondContact O-N 2.6Å
80	A	81.4	Confident	83.4	Confident	68 Å²	68	119.7 Å²	119.7	56%	0.562	57%	0.566	S	S	*	*			trans	-119.5	128.8	-177.6	0	0	0	0	0	110.4	V82 M85	A80-V82 PolarHBondContact O-N 3.12Å; A80-M85 HydrophobicContact CB-CE 3.89Å
81	E	86.2	Confident	83.9	Confident	129 Å²	129	118.9 Å²	118.9	60%	0.603	57%	0.572	S	S	*	*			trans	-72.5	96.6	175.4	-171.8	179.3	-159.1	0	0	110.1	D83 R84 M85	E81-D83 PolarHBondContact O-N 3.45Å; E81-R84 HydrophobicContact CB-CB 4.16Å; E81-R84 HydrophobicContact CG-CB 4.02Å; E81-R84 PolarHBondContact O-N 2.65Å; E81-R84 VanDerWaalsContact OE2-CB 3.25Å; E81-R84 WeakPolarHBondContact OE2-CB 3.4Å; E81-M85 WeakPolarHBondContact O-CB 3.37Å; E81-M85 PolarHBondContact O-N 2.92Å
82	V	83.7	Confident	84.1	Confident	84 Å²	84	116.2 Å²	116.2	51%	0.509	57%	0.57	S	S	.	*	H	α-helix	trans	-56.7	-35.3	-175.2	179.9	0	0	0	0	112.6	A80 M86 I166	A80-V82 PolarHBondContact O-N 3.12Å; V82-M86 VanDerWaalsContact O-CB 3.24Å; V82-M86 WeakPolarHBondContact O-CB 3.23Å; V82-M86 PolarHBondContact O-N 3.46Å; V82-I166 HydrophobicContact CG1-CD1 4.07Å
83	D	83.7	Confident	84.3	Confident	83 Å²	83	110.7 Å²	110.7	44%	0.444	55%	0.546	S	S	.	.	H	α-helix	trans	-74.3	-38.2	179.9	-75.1	-24.9	0	0	0	112.5	E81 K87 T227	E81-D83 PolarHBondContact O-N 3.45Å; D83-K87 PolarHBondContact O-N 3.01Å; D83-K87 VanDerWaalsContact O-N 3.15Å; D83-T227 WeakPolarHBondContact OD1-CG2 3.49Å
84	R	85.6	Confident	84.7	Confident	169 Å²	169	108 Å²	108	64%	0.638	52%	0.52	S	S	*	.	H	α-helix	trans	-70.1	-43.9	173.1	-174	174	-178.4	172.3	-0.6	111.1	E81 M86 K87 I88	E81-R84 HydrophobicContact CB-CB 4.16Å; E81-R84 HydrophobicContact CG-CB 4.02Å; E81-R84 PolarHBondContact O-N 2.65Å; E81-R84 VanDerWaalsContact OE2-CB 3.25Å; E81-R84 WeakPolarHBondContact OE2-CB 3.4Å; R84-M86 VanDerWaalsContact C-N 3.31Å; R84-M86 PolarHBondContact O-N 3.06Å; R84-K87 WeakPolarHBondContact O-CB 3.33Å; R84-K87 PolarHBondContact O-N 2.77Å; R84-K87 VanDerWaalsContact O-N 3.09Å; R84-I88 HydrophobicContact CG-CD1 4.31Å; R84-I88 WeakPolarHBondContact O-CG1 3.5Å; R84-I88 PolarHBondContact O-N 3.35Å
85	M	85.4	Confident	84.6	Confident	59 Å²	59	110.4 Å²	110.4	29%	0.291	53%	0.528	S	S	.	.	H	α-helix	trans	-60.2	-37.9	173.8	177.2	169.3	41.1	0	0	112.4	A80 E81 I88 I89 I166	A80-M85 HydrophobicContact CB-CE 3.89Å; E81-M85 WeakPolarHBondContact O-CB 3.37Å; E81-M85 PolarHBondContact O-N 2.92Å; M85-I88 PolarHBondContact O-N 2.74Å; M85-I89 HydrophobicContact CG-CD1 3.85Å; M85-I89 WeakPolarHBondContact O-CD1 3.2Å; M85-I89 VanDerWaalsContact O-CG1 3.26Å; M85-I89 WeakPolarHBondContact O-CG1 3.44Å; M85-I89 PolarHBondContact O-N 2.89Å; M85-I89 VanDerWaalsContact O-N 3.1Å; M85-I166 HydrophobicContact CE-CB 4.24Å; M85-I166 HydrophobicContact CE-CD1 4.14Å; M85-I166 HydrophobicContact CE-CG2 4.28Å; M85-I166 HydrophobicContact CG-CD1 4.23Å; M85-I166 HydrophobicContact CG-CG2 4.16Å; M85-I166 HydrophobicContact SD-CB 4.32Å; M85-I166 HydrophobicContact SD-CG2 3.71Å
86	M	84.9	Confident	84.8	Confident	17 Å²	17	104 Å²	104	8%	0.084	50%	0.504	C	S	.	.	H	α-helix	trans	-65.8	-37.6	173.7	-175.8	68.8	77	0	0	112	V82 R84 V90 I166 Y199	V82-M86 VanDerWaalsContact O-CB 3.24Å; V82-M86 WeakPolarHBondContact O-CB 3.23Å; V82-M86 PolarHBondContact O-N 3.46Å; R84-M86 VanDerWaalsContact C-N 3.31Å; R84-M86 PolarHBondContact O-N 3.06Å; M86-V90 VanDerWaalsContact O-CG2 3.29Å; M86-V90 WeakPolarHBondContact O-CG2 3.22Å; M86-V90 PolarHBondContact O-N 2.92Å; M86-V90 HydrophobicContact SD-CG2 4.4Å; M86-I166 HydrophobicContact CE-CD1 4.07Å; M86-Y199 HydrophobicContact CE-CD1 3.79Å; M86-Y199 HydrophobicContact CE-CE1 4.06Å; M86-Y199 HydrophobicContact CE-CG 4.41Å; M86-Y199 HydrophobicContact SD-CD1 4.07Å; M86-Y199 HydrophobicContact SD-CG 4.24Å
87	K	86	Confident	85	Confident	143 Å²	143	100.6 Å²	100.6	62%	0.622	50%	0.495	S	S	*	.	H	α-helix	trans	-61.7	-49.5	172.9	-71.7	177.3	177.8	-176.9	0	111.4	D83 R84 I89 V90 N91	D83-K87 PolarHBondContact O-N 3.01Å; D83-K87 VanDerWaalsContact O-N 3.15Å; R84-K87 WeakPolarHBondContact O-CB 3.33Å; R84-K87 PolarHBondContact O-N 2.77Å; R84-K87 VanDerWaalsContact O-N 3.09Å; K87-I89 VanDerWaalsContact C-N 3.31Å; K87-I89 PolarHBondContact O-N 3.14Å; K87-V90 CarbonylContact O-C 3.41Å; K87-V90 PolarHBondContact O-N 3.26Å; K87-N91 WeakPolarHBondContact O-CB 3.24Å; K87-N91 PolarHBondContact O-N 3.4Å
88	I	86.6	Confident	85.2	Confident	84 Å²	84	94.5 Å²	94.5	43%	0.431	47%	0.466	S	S	.	.	H	α-helix	trans	-56.9	-45.9	-179.7	-64.7	164.2	0	0	0	110.6	R84 M85 V90 S92 L93	R84-I88 HydrophobicContact CG-CD1 4.31Å; R84-I88 WeakPolarHBondContact O-CG1 3.5Å; R84-I88 PolarHBondContact O-N 3.35Å; M85-I88 PolarHBondContact O-N 2.74Å; I88-V90 PolarHBondContact O-N 2.89Å; I88-S92 PolarHBondContact O-N 3.46Å; I88-L93 PolarHBondContact O-N 2.79Å; I88-L93 VanDerWaalsContact O-N 3.09Å
89	I	84.7	Confident	85.5	Confident	10 Å²	10	83.9 Å²	83.9	5%	0.051	42%	0.42	C	S	.	.	H	α-helix	trans	-64	-23.4	178.4	-68.2	165.8	0	0	0	113.4	M85 K87 L93 Y94 I166 V196	M85-I89 HydrophobicContact CG-CD1 3.85Å; M85-I89 WeakPolarHBondContact O-CD1 3.2Å; M85-I89 VanDerWaalsContact O-CG1 3.26Å; M85-I89 WeakPolarHBondContact O-CG1 3.44Å; M85-I89 PolarHBondContact O-N 2.89Å; M85-I89 VanDerWaalsContact O-N 3.1Å; K87-I89 VanDerWaalsContact C-N 3.31Å; K87-I89 PolarHBondContact O-N 3.14Å; I89-L93 HydrophobicContact CB-CD2 4.2Å; I89-L93 HydrophobicContact CG1-CD2 3.95Å; I89-L93 HydrophobicContact CG2-CD2 4.13Å; I89-Y94 WeakPolarHBondContact O-CE2 3.31Å; I89-I166 HydrophobicContact CD1-CD1 4.34Å; I89-I166 HydrophobicContact CD1-CG2 3.47Å; I89-I166 VanDerWaalsContact CD1-CG2 3.47Å; I89-V196 HydrophobicContact CD1-CG1 4.08Å
90	V	85.2	Confident	85.9	Confident	22 Å²	22	74.7 Å²	74.7	13%	0.133	38%	0.376	C	S	.	.	H	α-helix	trans	-102.4	-28.2	-177.1	175.7	0	0	0	0	112.9	M86 K87 I88 F202 L203	M86-V90 VanDerWaalsContact O-CG2 3.29Å; M86-V90 WeakPolarHBondContact O-CG2 3.22Å; M86-V90 PolarHBondContact O-N 2.92Å; M86-V90 HydrophobicContact SD-CG2 4.4Å; K87-V90 CarbonylContact O-C 3.41Å; K87-V90 PolarHBondContact O-N 3.26Å; I88-V90 PolarHBondContact O-N 2.89Å; V90-F202 HydrophobicContact CG1-CB 4.12Å; V90-F202 HydrophobicContact CG2-CB 3.85Å; V90-L203 WeakPolarHBondContact O-CD2 3.46Å
91	N	83.1	Confident	86.5	Confident	124 Å²	124	71.5 Å²	71.5	66%	0.663	35%	0.35	S	S	*	.	H	α-helix	trans	-106.9	-36.7	-174.2	-69	24.2	0	0	0	113.5	K87	K87-N91 WeakPolarHBondContact O-CB 3.24Å; K87-N91 PolarHBondContact O-N 3.4Å
92	S	83.7	Confident	86.8	Confident	94 Å²	94	65.4 Å²	65.4	66%	0.657	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-25.2	-167.2	-45.4	0	0	0	0	113.5	I88 Y94	I88-S92 PolarHBondContact O-N 3.46Å; S92-Y94 PolarHBondContact O-N 2.89Å
93	L	84	Confident	87.1	Confident	43 Å²	43	62 Å²	62	23%	0.225	30%	0.3	C	S	.	.	S	Bend	trans	-79.5	-11.2	-168.2	-168.3	61.5	0	0	0	115.5	I88 I89 V196 V439 S440	I88-L93 PolarHBondContact O-N 2.79Å; I88-L93 VanDerWaalsContact O-N 3.09Å; I89-L93 HydrophobicContact CB-CD2 4.2Å; I89-L93 HydrophobicContact CG1-CD2 3.95Å; I89-L93 HydrophobicContact CG2-CD2 4.13Å; L93-V196 HydrophobicContact CD2-CG2 4.27Å; L93-V439 HydrophobicContact CD1-CB 3.94Å; L93-V439 HydrophobicContact CD1-CG1 3.87Å; L93-V439 HydrophobicContact CD2-CG1 4.02Å; L93-V439 HydrophobicContact CG-CG1 4.3Å; L93-S440 WeakPolarHBondContact O-CB 3.42Å
94	Y	86	Confident	87.6	Confident	13 Å²	13	58.1 Å²	58.1	5%	0.051	28%	0.279	C	S	.	.			trans	-143.2	120.7	-174.1	-56.5	-78.1	0	0	0	110.1	I89 S92 I99 L203	I89-Y94 WeakPolarHBondContact O-CE2 3.31Å; S92-Y94 PolarHBondContact O-N 2.89Å; Y94-I99 HydrophobicContact CD1-CD1 3.29Å; Y94-I99 HydrophobicContact CD1-CG1 3.75Å; Y94-I99 HydrophobicContact CD2-CD1 4Å; Y94-I99 HydrophobicContact CE1-CD1 3.5Å; Y94-I99 VanDerWaalsContact CE1-CD1 3.5Å; Y94-I99 HydrophobicContact CE1-CG1 4.4Å; Y94-I99 HydrophobicContact CE2-CD1 4.19Å; Y94-I99 HydrophobicContact CG-CD1 3.56Å; Y94-I99 HydrophobicContact CG-CG1 3.94Å; Y94-L203 HydrophobicContact CD2-CD1 4.17Å; Y94-L203 HydrophobicContact CG-CD1 4.47Å
95	K	83.4	Confident	88	Confident	188 Å²	188	50.1 Å²	50.1	82%	0.817	25%	0.249	S	C	*	.	S	Bend	trans	-68.8	-46.9	176	-67.3	-168.5	176.9	-171.2	0	109.8	E442	K95-E442 PolarHBondContact N-OE2 3.25Å
96	N	86.9	Confident	88.3	Confident	72 Å²	72	47.4 Å²	47.4	39%	0.385	24%	0.236	S	C	.	.			trans	-90.5	124.1	-177.9	-68.6	-69.6	0	0	0	114.2	E98 I99 E442	N96-E98 PolarHBondContact O-N 3.04Å; N96-I99 HydrophobicContact CB-CG2 4.14Å; N96-I99 VanDerWaalsContact O-CG1 3.23Å; N96-I99 WeakPolarHBondContact O-CG1 3.22Å; N96-I99 PolarHBondContact O-N 3.12Å; N96-E442 WeakPolarHBondContact CB-OE1 3.43Å; N96-E442 PolarHBondContact N-OE2 2.97Å; N96-E442 PolarHBondContact ND2-OE1 3.14Å
97	K	90.2	Very high	88.6	Confident	118 Å²	118	49.5 Å²	49.5	51%	0.513	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.4	173	-69.1	178.5	-177.2	173	0	113.6	I99 F100 L203	K97-I99 VanDerWaalsContact C-N 3.28Å; K97-I99 PolarHBondContact O-N 3.04Å; K97-F100 WeakPolarHBondContact O-CD1 3.45Å; K97-L203 HydrophobicContact CG-CD2 4.45Å
98	E	90.8	Very high	89	Confident	48 Å²	48	43 Å²	43	22%	0.224	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.4	-177.6	-60.9	-146.5	131.7	0	0	114.4	N96 F100 L101 Y257 V266 Y270	N96-E98 PolarHBondContact O-N 3.04Å; E98-F100 PolarHBondContact O-N 3.43Å; E98-L101 PolarHBondContact O-N 2.85Å; E98-Y257 HydrophobicContact CG-CE1 4.34Å; E98-V266 HydrophobicContact CB-CG1 4.19Å; E98-V266 VanDerWaalsContact CD-CG2 3.48Å; E98-V266 HydrophobicContact CG-CG2 4.43Å; E98-V266 WeakPolarHBondContact OE1-CG2 3.33Å; E98-Y270 HydrophobicContact CB-CE2 4.04Å
99	I	89.9	Confident	89.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-18.7	-170.4	65.7	89.2	0	0	0	113.5	Y94 N96 K97 L101 R102 E103 L203 E442	Y94-I99 HydrophobicContact CD1-CD1 3.29Å; Y94-I99 HydrophobicContact CD1-CG1 3.75Å; Y94-I99 HydrophobicContact CD2-CD1 4Å; Y94-I99 HydrophobicContact CE1-CD1 3.5Å; Y94-I99 VanDerWaalsContact CE1-CD1 3.5Å; Y94-I99 HydrophobicContact CE1-CG1 4.4Å; Y94-I99 HydrophobicContact CE2-CD1 4.19Å; Y94-I99 HydrophobicContact CG-CD1 3.56Å; Y94-I99 HydrophobicContact CG-CG1 3.94Å; N96-I99 HydrophobicContact CB-CG2 4.14Å; N96-I99 VanDerWaalsContact O-CG1 3.23Å; N96-I99 WeakPolarHBondContact O-CG1 3.22Å; N96-I99 PolarHBondContact O-N 3.12Å; K97-I99 VanDerWaalsContact C-N 3.28Å; K97-I99 PolarHBondContact O-N 3.04Å; I99-L101 PolarHBondContact O-N 3.03Å; I99-L101 VanDerWaalsContact O-N 3.09Å; I99-R102 WeakPolarHBondContact O-CA 3.5Å; I99-R102 WeakPolarHBondContact O-CB 3.47Å; I99-R102 PolarHBondContact O-N 2.86Å; I99-E103 HydrophobicContact CD1-CG 4.15Å; I99-E103 PolarHBondContact O-N 3.35Å; I99-L203 HydrophobicContact CD1-CD1 4.02Å; I99-L203 HydrophobicContact CG1-CD1 4.22Å; I99-E442 HydrophobicContact CG2-CG 4.3Å; I99-E442 VanDerWaalsContact CG2-OE1 3.31Å; I99-E442 WeakPolarHBondContact CG2-OE1 3.27Å
100	F	92.9	Very high	89.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-52.2	-35.3	173.7	91.1	-86.2	0	0	0	111.5	K97 E98 L104 L145 V204 L248 Y257	K97-F100 WeakPolarHBondContact O-CD1 3.45Å; E98-F100 PolarHBondContact O-N 3.43Å; F100-L104 HydrophobicContact CD2-CD1 4.04Å; F100-L104 WeakPolarHBondContact O-CB 3.47Å; F100-L104 WeakPolarHBondContact O-CG 3.27Å; F100-L104 PolarHBondContact O-N 3.47Å; F100-L104 VanDerWaalsContact O-N 3.1Å; F100-L145 HydrophobicContact CE2-CD2 3.87Å; F100-L145 HydrophobicContact CZ-CD2 3.83Å; F100-V204 HydrophobicContact CB-CG2 4.27Å; F100-V204 HydrophobicContact CD1-CB 4.41Å; F100-V204 HydrophobicContact CD1-CG1 3.78Å; F100-V204 HydrophobicContact CD1-CG2 3.75Å; F100-V204 HydrophobicContact CD2-CG2 3.65Å; F100-V204 HydrophobicContact CE1-CG1 4.03Å; F100-V204 HydrophobicContact CE1-CG2 3.97Å; F100-V204 HydrophobicContact CE2-CG2 3.9Å; F100-V204 HydrophobicContact CG-CG1 4.35Å; F100-V204 HydrophobicContact CG-CG2 3.58Å; F100-V204 HydrophobicContact CZ-CG2 4.04Å; F100-L248 HydrophobicContact CD2-CD1 3.72Å; F100-L248 HydrophobicContact CE2-CD1 3.49Å; F100-L248 VanDerWaalsContact CE2-CD1 3.49Å; F100-Y257 AromaticContact CE1-CD1 3.73Å; F100-Y257 HydrophobicContact CE1-CD1 3.73Å; F100-Y257 HydrophobicContact CE1-CD2 4.25Å; F100-Y257 AromaticContact CE1-CE1 3.85Å; F100-Y257 HydrophobicContact CE1-CE1 3.85Å; F100-Y257 HydrophobicContact CE1-CE2 4.36Å; F100-Y257 AromaticContact CE1-CG 3.92Å; F100-Y257 HydrophobicContact CE1-CG 3.92Å; F100-Y257 HydrophobicContact CZ-CD1 4.17Å; F100-Y257 HydrophobicContact CZ-CG 4.15Å
101	L	93.9	Very high	89.9	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-79	-36.4	-179.8	-164.8	60.8	0	0	0	111.6	E98 I99 I105 I136 I147 L263 V266 V267	E98-L101 PolarHBondContact O-N 2.85Å; I99-L101 PolarHBondContact O-N 3.03Å; I99-L101 VanDerWaalsContact O-N 3.09Å; L101-I105 HydrophobicContact CD1-CD1 4.17Å; L101-I105 HydrophobicContact CD1-CG1 4.39Å; L101-I105 HydrophobicContact CG-CD1 3.84Å; L101-I105 HydrophobicContact CG-CG1 4.46Å; L101-I105 WeakPolarHBondContact O-CB 3.02Å; L101-I105 WeakPolarHBondContact O-CD1 3.3Å; L101-I105 WeakPolarHBondContact O-CG1 3.48Å; L101-I105 PolarHBondContact O-N 2.74Å; L101-I136 HydrophobicContact CD1-CD1 4.37Å; L101-I147 HydrophobicContact CD1-CD1 3.69Å; L101-I147 HydrophobicContact CD1-CG1 4.37Å; L101-L263 HydrophobicContact CD2-CD2 3.84Å; L101-V266 HydrophobicContact CB-CG1 4Å; L101-V266 HydrophobicContact CD2-CB 4.01Å; L101-V266 HydrophobicContact CD2-CG1 3.88Å; L101-V266 HydrophobicContact CG-CG1 4.42Å; L101-V267 HydrophobicContact CD2-CG2 3.84Å
102	R	91.7	Very high	90.3	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-57.6	-50.2	171	-179.6	-171.4	77.3	-156.4	-6.8	110.7	I99 S106 Y270 V409 S440 R441	I99-R102 WeakPolarHBondContact O-CA 3.5Å; I99-R102 WeakPolarHBondContact O-CB 3.47Å; I99-R102 PolarHBondContact O-N 2.86Å; R102-S106 VanDerWaalsContact O-CB 3.28Å; R102-S106 WeakPolarHBondContact O-CB 3.23Å; R102-S106 PolarHBondContact O-N 2.99Å; R102-S106 PolarHBondContact O-OG 2.83Å; R102-Y270 HydrophobicContact CB-CD1 4.3Å; R102-Y270 HydrophobicContact CB-CG 4.02Å; R102-Y270 HydrophobicContact CG-CD1 4.22Å; R102-Y270 HydrophobicContact CG-CG 4.26Å; R102-V409 HydrophobicContact CG-CG1 3.83Å; R102-S440 PolarHBondContact NH2-O 2.68Å; R102-R441 PolarHBondContact NH1-O 3.4Å
103	E	91.4	Very high	90.5	Very high	12 Å²	12	28.1 Å²	28.1	6%	0.056	14%	0.136	C	C	.	.	H	α-helix	trans	-67.3	-43.7	-178.1	-66.2	-49.8	124.2	0	0	112.1	I99 I105 S106 N107 G197	I99-E103 HydrophobicContact CD1-CG 4.15Å; I99-E103 PolarHBondContact O-N 3.35Å; E103-I105 PolarHBondContact O-N 2.73Å; E103-S106 PolarHBondContact O-N 2.89Å; E103-N107 WeakPolarHBondContact O-CB 3.49Å; E103-N107 PolarHBondContact O-N 3.33Å; E103-N107 PolarHBondContact O-ND2 3.13Å; E103-G197 VanDerWaalsContact CB-O 3.22Å; E103-G197 WeakPolarHBondContact CB-O 3.25Å
104	L	94.1	Very high	90.8	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-68.7	-33.4	179.3	-67.7	177.9	0	0	0	112.9	F100 A108 I147 F198 I246 L248	F100-L104 HydrophobicContact CD2-CD1 4.04Å; F100-L104 WeakPolarHBondContact O-CB 3.47Å; F100-L104 WeakPolarHBondContact O-CG 3.27Å; F100-L104 PolarHBondContact O-N 3.47Å; F100-L104 VanDerWaalsContact O-N 3.1Å; L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 3.22Å; L104-A108 VanDerWaalsContact O-N 3.12Å; L104-I147 HydrophobicContact CB-CD1 3.92Å; L104-I147 HydrophobicContact CD1-CD1 3.6Å; L104-I147 HydrophobicContact CG-CD1 4.44Å; L104-F198 HydrophobicContact CD2-CD2 3.99Å; L104-F198 HydrophobicContact CD2-CE2 4.45Å; L104-I246 HydrophobicContact CD2-CD1 3.85Å; L104-L248 HydrophobicContact CD1-CD1 3.93Å; L104-L248 HydrophobicContact CD1-CD2 4.3Å
105	I	93.5	Very high	90.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-71.7	-39	172.3	-65.6	170.4	0	0	0	110.7	L101 E103 A108 S109 I134 I136 V267 I274 I278	L101-I105 HydrophobicContact CD1-CD1 4.17Å; L101-I105 HydrophobicContact CD1-CG1 4.39Å; L101-I105 HydrophobicContact CG-CD1 3.84Å; L101-I105 HydrophobicContact CG-CG1 4.46Å; L101-I105 WeakPolarHBondContact O-CB 3.02Å; L101-I105 WeakPolarHBondContact O-CD1 3.3Å; L101-I105 WeakPolarHBondContact O-CG1 3.48Å; L101-I105 PolarHBondContact O-N 2.74Å; E103-I105 PolarHBondContact O-N 2.73Å; I105-A108 CarbonylContact O-C 3.6Å; I105-A108 WeakPolarHBondContact O-CB 3.46Å; I105-A108 PolarHBondContact O-N 2.67Å; I105-S109 PolarHBondContact O-N 3.39Å; I105-I134 HydrophobicContact CG2-CD1 3.86Å; I105-I136 HydrophobicContact CD1-CD1 3.77Å; I105-I136 HydrophobicContact CG1-CD1 4.25Å; I105-V267 HydrophobicContact CD1-CG2 3.79Å; I105-I274 HydrophobicContact CG2-CD1 3.57Å; I105-I278 HydrophobicContact CG2-CD1 3.78Å
106	S	91.2	Very high	91.1	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.014	10%	0.101	C	C	.	.	H	α-helix	trans	-62.1	-46	175.6	-63.6	0	0	0	0	111.8	R102 E103 A108 S109 D110	R102-S106 VanDerWaalsContact O-CB 3.28Å; R102-S106 WeakPolarHBondContact O-CB 3.23Å; R102-S106 PolarHBondContact O-N 2.99Å; R102-S106 PolarHBondContact O-OG 2.83Å; E103-S106 PolarHBondContact O-N 2.89Å; S106-A108 VanDerWaalsContact C-N 3.29Å; S106-A108 PolarHBondContact O-N 3.43Å; S106-S109 WeakPolarHBondContact O-CA 3.04Å; S106-S109 WeakPolarHBondContact O-CB 3.36Å; S106-S109 PolarHBondContact O-N 2.99Å; S106-S109 VanDerWaalsContact O-N 3.08Å; S106-D110 PolarHBondContact O-N 3.29Å
107	N	92.3	Very high	91	Very high	60 Å²	60	18.8 Å²	18.8	32%	0.321	9%	0.091	S	C	.	.	H	α-helix	trans	-60.8	-36.3	173.3	-79.5	-72.5	0	0	0	112.4	E103 A111	E103-N107 WeakPolarHBondContact O-CB 3.49Å; E103-N107 PolarHBondContact O-N 3.33Å; E103-N107 PolarHBondContact O-ND2 3.13Å; N107-A111 WeakPolarHBondContact O-CB 3.17Å; N107-A111 PolarHBondContact O-N 2.68Å
108	A	93.4	Very high	90.7	Very high	6 Å²	6	15.7 Å²	15.7	5%	0.05	8%	0.08	C	C	.	.	H	α-helix	trans	-69.6	-34.4	173.3	0	0	0	0	0	112.6	L104 I105 S106 A111 L112 I134 D149	L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 3.22Å; L104-A108 VanDerWaalsContact O-N 3.12Å; I105-A108 CarbonylContact O-C 3.6Å; I105-A108 WeakPolarHBondContact O-CB 3.46Å; I105-A108 PolarHBondContact O-N 2.67Å; S106-A108 VanDerWaalsContact C-N 3.29Å; S106-A108 PolarHBondContact O-N 3.43Å; A108-A111 PolarHBondContact O-N 3.4Å; A108-L112 WeakPolarHBondContact O-CB 3.39Å; A108-L112 WeakPolarHBondContact O-CD1 3.45Å; A108-L112 VanDerWaalsContact O-CG 3.25Å; A108-L112 WeakPolarHBondContact O-CG 3.48Å; A108-L112 PolarHBondContact O-N 3.02Å; A108-I134 HydrophobicContact CB-CD1 3.81Å; A108-I134 HydrophobicContact CB-CG1 4.03Å; A108-I134 HydrophobicContact CB-CG2 4.34Å; A108-D149 HydrophobicContact CB-CB 3.8Å
109	S	91.7	Very high	90.5	Very high	4 Å²	4	14.2 Å²	14.2	3%	0.028	8%	0.075	C	C	.	.	H	α-helix	trans	-65.3	-48	172.1	-165.4	0	0	0	0	111.1	I105 S106 A111 L112 D113	I105-S109 PolarHBondContact O-N 3.39Å; S106-S109 WeakPolarHBondContact O-CA 3.04Å; S106-S109 WeakPolarHBondContact O-CB 3.36Å; S106-S109 PolarHBondContact O-N 2.99Å; S106-S109 VanDerWaalsContact O-N 3.08Å; S109-A111 VanDerWaalsContact C-N 3.29Å; S109-A111 PolarHBondContact O-N 2.9Å; S109-L112 CarbonylContact O-C 3.53Å; S109-L112 WeakPolarHBondContact O-CA 3.27Å; S109-L112 WeakPolarHBondContact O-CB 3.35Å; S109-L112 PolarHBondContact O-N 3.29Å; S109-D113 PolarHBondContact O-N 3.47Å
110	D	91	Very high	90.1	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-55.7	-42	173.6	-86.9	4.2	0	0	0	112	S106 L112 D113 K114 T171 L190 I191 G192	S106-D110 PolarHBondContact O-N 3.29Å; D110-L112 VanDerWaalsContact C-N 3.35Å; D110-D113 PolarHBondContact O-N 3.4Å; D110-K114 WeakPolarHBondContact O-CB 3.36Å; D110-K114 WeakPolarHBondContact O-CD 3.01Å; D110-K114 WeakPolarHBondContact O-CG 3.43Å; D110-K114 PolarHBondContact O-N 2.94Å; D110-T171 WeakPolarHBondContact OD2-CB 3.48Å; D110-T171 VanDerWaalsContact OD2-CG2 3.24Å; D110-T171 WeakPolarHBondContact OD2-CG2 3.41Å; D110-T171 PolarHBondContact OD2-OG1 3.24Å; D110-L190 HydrophobicContact CB-CD2 4.2Å; D110-L190 WeakPolarHBondContact OD1-CD2 3.48Å; D110-I191 PolarHBondContact OD1-N 2.83Å; D110-G192 WeakPolarHBondContact OD2-CA 3.36Å; D110-G192 PolarHBondContact OD2-N 3.44Å
111	A	92.3	Very high	89.6	Confident	13 Å²	13	25.1 Å²	25.1	11%	0.107	14%	0.137	C	C	.	.	H	α-helix	trans	-65.8	-36.6	176.9	0	0	0	0	0	112.5	N107 A108 S109 V115 G151 I152	N107-A111 WeakPolarHBondContact O-CB 3.17Å; N107-A111 PolarHBondContact O-N 2.68Å; A108-A111 PolarHBondContact O-N 3.4Å; S109-A111 VanDerWaalsContact C-N 3.29Å; S109-A111 PolarHBondContact O-N 2.9Å; A111-V115 PolarHBondContact O-N 3Å; A111-G151 CarbonylContact O-C 3.59Å; A111-G151 WeakPolarHBondContact O-CA 3.42Å; A111-I152 HydrophobicContact CB-CG2 4.49Å; A111-I152 PolarHBondContact O-N 2.53Å
112	L	92	Very high	89	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-72	-34.7	174.5	-72.4	163.3	0	0	0	111.8	A108 S109 D110 V115 R116 M132 I134 F276	A108-L112 WeakPolarHBondContact O-CB 3.39Å; A108-L112 WeakPolarHBondContact O-CD1 3.45Å; A108-L112 VanDerWaalsContact O-CG 3.25Å; A108-L112 WeakPolarHBondContact O-CG 3.48Å; A108-L112 PolarHBondContact O-N 3.02Å; S109-L112 CarbonylContact O-C 3.53Å; S109-L112 WeakPolarHBondContact O-CA 3.27Å; S109-L112 WeakPolarHBondContact O-CB 3.35Å; S109-L112 PolarHBondContact O-N 3.29Å; D110-L112 VanDerWaalsContact C-N 3.35Å; L112-V115 WeakPolarHBondContact O-CG1 3.21Å; L112-V115 PolarHBondContact O-N 3.09Å; L112-R116 WeakPolarHBondContact O-CB 3.37Å; L112-R116 PolarHBondContact O-N 3.03Å; L112-M132 HydrophobicContact CD2-CB 3.85Å; L112-M132 HydrophobicContact CD2-CG 4.16Å; L112-I134 HydrophobicContact CD1-CD1 4.1Å; L112-I134 HydrophobicContact CD1-CG1 3.52Å; L112-F276 HydrophobicContact CB-CD1 4.03Å; L112-F276 HydrophobicContact CB-CD2 3.7Å; L112-F276 HydrophobicContact CB-CE1 3.8Å; L112-F276 HydrophobicContact CB-CE2 3.45Å; L112-F276 VanDerWaalsContact CB-CE2 3.45Å; L112-F276 HydrophobicContact CB-CG 3.98Å; L112-F276 HydrophobicContact CB-CZ 3.5Å; L112-F276 VanDerWaalsContact CB-CZ 3.5Å; L112-F276 HydrophobicContact CD1-CB 3.87Å; L112-F276 HydrophobicContact CD1-CD1 4.13Å; L112-F276 HydrophobicContact CD1-CD2 3.97Å; L112-F276 HydrophobicContact CD1-CG 3.71Å; L112-F276 HydrophobicContact CG-CD2 4.47Å; L112-F276 HydrophobicContact CG-CG 4.41Å
113	D	88.8	Confident	88.5	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.027	18%	0.182	C	C	.	.	H	α-helix	trans	-75.3	-35.9	177.1	-86.4	-23.9	0	0	0	113.6	S109 D110 V115 R116 V117 L190 F276	S109-D113 PolarHBondContact O-N 3.47Å; D110-D113 PolarHBondContact O-N 3.4Å; D113-V115 VanDerWaalsContact C-N 3.3Å; D113-V115 PolarHBondContact O-N 3.42Å; D113-R116 VanDerWaalsContact CG-NH2 3.25Å; D113-R116 WeakPolarHBondContact O-CB 3.09Å; D113-R116 PolarHBondContact O-N 2.77Å; D113-R116 VanDerWaalsContact O-N 3.17Å; D113-R116 IonicContact OD1-CZ 2.75Å; D113-R116 IonicContact OD1-NE 3.39Å; D113-R116 PolarHBondContact OD1-NE 2.99Å; D113-R116 IonicContact OD1-NH2 2.66Å; D113-R116 PolarHBondContact OD1-NH2 3.13Å; D113-R116 IonicContact OD2-NH2 2.59Å; D113-R116 PolarHBondContact OD2-NH2 3.02Å; D113-V117 WeakPolarHBondContact O-CG2 3.44Å; D113-V117 PolarHBondContact O-N 2.66Å; D113-L190 HydrophobicContact CB-CD2 3.8Å; D113-F276 HydrophobicContact CB-CE2 4.45Å; D113-F276 WeakPolarHBondContact OD1-CE2 3.25Å; D113-F276 WeakPolarHBondContact OD1-CZ 3.37Å
114	K	88.4	Confident	88	Confident	28 Å²	28	39.9 Å²	39.9	12%	0.122	21%	0.212	C	C	.	.	H	α-helix	trans	-55.9	-44.8	169	-73.2	163.6	-164.8	-177.2	0	111.4	D110 L118 I152 G170 T171 F174	D110-K114 WeakPolarHBondContact O-CB 3.36Å; D110-K114 WeakPolarHBondContact O-CD 3.01Å; D110-K114 WeakPolarHBondContact O-CG 3.43Å; D110-K114 PolarHBondContact O-N 2.94Å; K114-L118 VanDerWaalsContact O-CB 3.3Å; K114-L118 WeakPolarHBondContact O-CB 3.12Å; K114-L118 WeakPolarHBondContact O-CG 2.99Å; K114-L118 PolarHBondContact O-N 3.1Å; K114-I152 HydrophobicContact CB-CB 4.28Å; K114-I152 HydrophobicContact CB-CD1 4.35Å; K114-I152 HydrophobicContact CB-CG2 3.96Å; K114-I152 HydrophobicContact CD-CG2 4.32Å; K114-G170 VanDerWaalsContact NZ-C 3.33Å; K114-G170 PolarHBondContact NZ-O 2.79Å; K114-T171 VanDerWaalsContact CE-OG1 3.29Å; K114-T171 WeakPolarHBondContact CE-OG1 3.15Å; K114-T171 PolarHBondContact NZ-OG1 3.36Å; K114-F174 HydrophobicContact CB-CE1 4.13Å; K114-F174 HydrophobicContact CB-CE2 4.48Å; K114-F174 HydrophobicContact CB-CZ 4.05Å; K114-F174 HydrophobicContact CD-CD1 4.49Å; K114-F174 HydrophobicContact CG-CD1 3.64Å; K114-F174 HydrophobicContact CG-CD2 4.31Å; K114-F174 HydrophobicContact CG-CE1 3.56Å; K114-F174 HydrophobicContact CG-CE2 4.27Å; K114-F174 HydrophobicContact CG-CG 4.01Å; K114-F174 HydrophobicContact CG-CZ 3.9Å
115	V	89	Confident	87.2	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.012	22%	0.223	C	C	.	.	H	α-helix	trans	-75.3	-31.9	175.5	73.1	0	0	0	0	112.9	A111 L112 D113 S119 M125 L126 M132 I152	A111-V115 PolarHBondContact O-N 3Å; L112-V115 WeakPolarHBondContact O-CG1 3.21Å; L112-V115 PolarHBondContact O-N 3.09Å; D113-V115 VanDerWaalsContact C-N 3.3Å; D113-V115 PolarHBondContact O-N 3.42Å; V115-S119 WeakPolarHBondContact O-CB 2.95Å; V115-S119 PolarHBondContact O-N 3.14Å; V115-S119 PolarHBondContact O-OG 3.15Å; V115-M125 HydrophobicContact CG2-CB 4.48Å; V115-L126 HydrophobicContact CG2-CD2 4.39Å; V115-M132 HydrophobicContact CG1-SD 4.43Å; V115-I152 HydrophobicContact CB-CB 4.28Å
116	R	87	Confident	86.5	Confident	59 Å²	59	43.3 Å²	43.3	22%	0.223	23%	0.229	C	C	.	.	H	α-helix	trans	-55.8	-58.6	170.8	175.1	166.7	61.7	131.6	-21.1	110.3	L112 D113 L118 S119 L120 D189	L112-R116 WeakPolarHBondContact O-CB 3.37Å; L112-R116 PolarHBondContact O-N 3.03Å; D113-R116 VanDerWaalsContact CG-NH2 3.25Å; D113-R116 WeakPolarHBondContact O-CB 3.09Å; D113-R116 PolarHBondContact O-N 2.77Å; D113-R116 VanDerWaalsContact O-N 3.17Å; D113-R116 IonicContact OD1-CZ 2.75Å; D113-R116 IonicContact OD1-NE 3.39Å; D113-R116 PolarHBondContact OD1-NE 2.99Å; D113-R116 IonicContact OD1-NH2 2.66Å; D113-R116 PolarHBondContact OD1-NH2 3.13Å; D113-R116 IonicContact OD2-NH2 2.59Å; D113-R116 PolarHBondContact OD2-NH2 3.02Å; R116-L118 PolarHBondContact O-N 2.99Å; R116-S119 PolarHBondContact O-N 2.77Å; R116-S119 PolarHBondContact O-OG 3.37Å; R116-L120 PolarHBondContact O-N 2.94Å; R116-D189 IonicContact CZ-OD2 2.74Å; R116-D189 IonicContact NH1-OD2 2.66Å; R116-D189 IonicContact NH2-OD2 3.71Å; R116-D189 PolarHBondContact NH2-OD2 3.13Å
117	V	84.5	Confident	85.8	Confident	31 Å²	31	49.2 Å²	49.2	19%	0.188	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-44.2	-177.8	178.2	0	0	0	0	111.4	D113 S119 L120 I178	D113-V117 WeakPolarHBondContact O-CG2 3.44Å; D113-V117 PolarHBondContact O-N 2.66Å; V117-S119 VanDerWaalsContact C-N 3.32Å; V117-S119 PolarHBondContact O-N 3.4Å; V117-L120 WeakPolarHBondContact O-CB 3.09Å; V117-L120 PolarHBondContact O-N 3.42Å; V117-I178 HydrophobicContact CG1-CD1 3.84Å
118	L	84.8	Confident	85	Confident	53 Å²	53	51.9 Å²	51.9	28%	0.277	27%	0.271	S	S	.	.	H	α-helix	trans	-62.5	-37.1	176.3	-72.4	173.4	0	0	0	112.3	K114 R116 L120 T121 N122 I152 F174	K114-L118 VanDerWaalsContact O-CB 3.3Å; K114-L118 WeakPolarHBondContact O-CB 3.12Å; K114-L118 WeakPolarHBondContact O-CG 2.99Å; K114-L118 PolarHBondContact O-N 3.1Å; R116-L118 PolarHBondContact O-N 2.99Å; L118-L120 VanDerWaalsContact C-N 3.29Å; L118-L120 PolarHBondContact O-N 2.71Å; L118-T121 PolarHBondContact O-N 3.15Å; L118-T121 VanDerWaalsContact O-N 3.07Å; L118-T121 PolarHBondContact O-OG1 2.86Å; L118-N122 PolarHBondContact O-N 3.01Å; L118-I152 HydrophobicContact CD1-CD1 3.57Å; L118-F174 HydrophobicContact CD1-CE2 4.33Å; L118-F174 HydrophobicContact CD2-CE2 4.44Å; L118-F174 HydrophobicContact CG-CE2 4.26Å; L118-F174 HydrophobicContact CG-CZ 4.27Å
119	S	85.6	Confident	84.1	Confident	16 Å²	16	52.3 Å²	52.3	11%	0.112	27%	0.274	C	S	.	.	H	α-helix	trans	-64.8	-29.4	179.4	76.3	0	0	0	0	113.9	V115 R116 V117 T121 N122 N123	V115-S119 WeakPolarHBondContact O-CB 2.95Å; V115-S119 PolarHBondContact O-N 3.14Å; V115-S119 PolarHBondContact O-OG 3.15Å; R116-S119 PolarHBondContact O-N 2.77Å; R116-S119 PolarHBondContact O-OG 3.37Å; V117-S119 VanDerWaalsContact C-N 3.32Å; V117-S119 PolarHBondContact O-N 3.4Å; S119-T121 VanDerWaalsContact C-N 3.27Å; S119-T121 PolarHBondContact O-N 2.89Å; S119-N122 CarbonylContact O-C 3.36Å; S119-N123 WeakPolarHBondContact O-CA 3.42Å; S119-N123 PolarHBondContact O-N 2.8Å; S119-N123 VanDerWaalsContact O-N 3.14Å
120	L	82.7	Confident	83.6	Confident	114 Å²	114	58.6 Å²	58.6	60%	0.597	31%	0.307	S	S	*	.	H	α-helix	trans	-65	-33.1	173.7	-63.5	172.1	0	0	0	111.6	R116 V117 L118 E186	R116-L120 PolarHBondContact O-N 2.94Å; V117-L120 WeakPolarHBondContact O-CB 3.09Å; V117-L120 PolarHBondContact O-N 3.42Å; L118-L120 VanDerWaalsContact C-N 3.29Å; L118-L120 PolarHBondContact O-N 2.71Å; L120-E186 WeakPolarHBondContact CD1-OE2 3.27Å
121	T	81.8	Confident	83.3	Confident	116 Å²	116	63.1 Å²	63.1	71%	0.712	33%	0.328	S	S	*	.	H	α-helix	trans	-86.1	-39	175.6	73.7	0	0	0	0	112.8	L118 S119	L118-T121 PolarHBondContact O-N 3.15Å; L118-T121 VanDerWaalsContact O-N 3.07Å; L118-T121 PolarHBondContact O-OG1 2.86Å; S119-T121 VanDerWaalsContact C-N 3.27Å; S119-T121 PolarHBondContact O-N 2.89Å
122	N	81.6	Confident	83.2	Confident	62 Å²	62	65.1 Å²	65.1	33%	0.332	34%	0.336	S	S	.	.			trans	-139.2	92.1	-179.5	-176.6	16.6	0	0	0	111.6	L118 S119 E124 M125	L118-N122 PolarHBondContact O-N 3.01Å; S119-N122 CarbonylContact O-C 3.36Å; N122-E124 PolarHBondContact O-N 2.65Å; N122-E124 WeakPolarHBondContact OD1-CB 3.47Å; N122-E124 PolarHBondContact OD1-N 3.27Å; N122-E124 VanDerWaalsContact OD1-N 3.11Å; N122-M125 PolarHBondContact O-N 3.37Å
123	N	81.7	Confident	83.3	Confident	118 Å²	118	65.1 Å²	65.1	63%	0.631	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-62.7	-7.8	177.5	-163.2	15.9	0	0	0	113.7	S119 M125	S119-N123 WeakPolarHBondContact O-CA 3.42Å; S119-N123 PolarHBondContact O-N 2.8Å; S119-N123 VanDerWaalsContact O-N 3.14Å; N123-M125 PolarHBondContact O-N 3.11Å
124	E	80.6	Confident	83.6	Confident	144 Å²	144	64.9 Å²	64.9	67%	0.673	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-68.9	-20.4	175.6	-63.2	-166.3	159.2	0	0	113.5	N122 L126 N127	N122-E124 PolarHBondContact O-N 2.65Å; N122-E124 WeakPolarHBondContact OD1-CB 3.47Å; N122-E124 PolarHBondContact OD1-N 3.27Å; N122-E124 VanDerWaalsContact OD1-N 3.11Å; E124-L126 VanDerWaalsContact C-N 3.3Å; E124-L126 PolarHBondContact O-N 3.25Å; E124-N127 VanDerWaalsContact CA-ND2 3.29Å; E124-N127 WeakPolarHBondContact CA-ND2 3.33Å; E124-N127 WeakPolarHBondContact O-CB 3.27Å; E124-N127 PolarHBondContact O-N 3.42Å; E124-N127 PolarHBondContact O-ND2 3.45Å
125	M	76.9	Confident	84	Confident	50 Å²	50	66 Å²	66	25%	0.246	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-69.7	-20.2	178.8	-56.5	-52.8	-155.8	0	0	114.1	V115 N122 N123 R242	V115-M125 HydrophobicContact CG2-CB 4.48Å; N122-M125 PolarHBondContact O-N 3.37Å; N123-M125 PolarHBondContact O-N 3.11Å; M125-R242 PolarHBondContact O-NH1 3.44Å
126	L	80.2	Confident	84.3	Confident	26 Å²	26	66 Å²	66	14%	0.136	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-83.1	-17.5	178.9	-66.9	178.8	0	0	0	113.4	V115 E124 E128 S129 D130	V115-L126 HydrophobicContact CG2-CD2 4.39Å; E124-L126 VanDerWaalsContact C-N 3.3Å; E124-L126 PolarHBondContact O-N 3.25Å; L126-E128 PolarHBondContact O-N 2.95Å; L126-S129 CarbonylContact O-C 3.56Å; L126-S129 PolarHBondContact O-N 2.99Å; L126-D130 PolarHBondContact O-N 2.88Å
127	N	75.7	Confident	84.6	Confident	126 Å²	126	66.1 Å²	66.1	67%	0.674	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-29.1	-167.6	-81.2	-54.4	0	0	0	116.4	E124	E124-N127 VanDerWaalsContact CA-ND2 3.29Å; E124-N127 WeakPolarHBondContact CA-ND2 3.33Å; E124-N127 WeakPolarHBondContact O-CB 3.27Å; E124-N127 PolarHBondContact O-N 3.42Å; E124-N127 PolarHBondContact O-ND2 3.45Å
128	E	74.5	Confident	85.1	Confident	115 Å²	115	65.7 Å²	65.7	54%	0.537	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-31.8	177.5	-61.4	-143.4	169	0	0	112.9	L126 K241	L126-E128 PolarHBondContact O-N 2.95Å; E128-K241 HydrophobicContact CB-CB 4.28Å; E128-K241 HydrophobicContact CB-CD 4.36Å; E128-K241 WeakPolarHBondContact O-CD 3.37Å; E128-K241 WeakPolarHBondContact O-CE 3.31Å; E128-K241 PolarHBondContact O-NZ 3.13Å
129	S	76	Confident	85.4	Confident	16 Å²	16	65.5 Å²	65.5	11%	0.112	34%	0.339	C	S	.	.			trans	-153.3	106.6	179.3	-159.9	0	0	0	0	111.9	L126 E131 R242	L126-S129 CarbonylContact O-C 3.56Å; L126-S129 PolarHBondContact O-N 2.99Å; S129-E131 PolarHBondContact O-N 3.11Å; S129-R242 PolarHBondContact O-NH1 3.03Å; S129-R242 PolarHBondContact O-NH2 2.69Å
130	D	81.5	Confident	85.6	Confident	135 Å²	135	68.2 Å²	68.2	72%	0.722	35%	0.349	S	S	*	.			trans	-71.8	-16.2	169.4	-54.2	-44	0	0	0	112.4	L126	L126-D130 PolarHBondContact O-N 2.88Å
131	E	84.6	Confident	85.9	Confident	97 Å²	97	70.9 Å²	70.9	45%	0.453	36%	0.364	S	S	.	.			trans	-79	123.8	179.7	-174.7	176.8	-117.5	0	0	110.4	S129 R135 T150	S129-E131 PolarHBondContact O-N 3.11Å; E131-R135 IonicContact OE1-NH1 3.79Å; E131-R135 IonicContact OE2-CZ 3.18Å; E131-R135 IonicContact OE2-NH1 3.25Å; E131-R135 PolarHBondContact OE2-NH1 3.42Å; E131-R135 IonicContact OE2-NH2 3.02Å; E131-T150 WeakPolarHBondContact O-CB 3.08Å; E131-T150 PolarHBondContact O-OG1 2.94Å
132	M	90.3	Very high	86.3	Confident	54 Å²	54	68 Å²	68	27%	0.266	35%	0.351	S	S	.	.			trans	-116.6	109.4	173	-70.6	-174.8	-63.8	0	0	108	L112 V115 F276 P277	L112-M132 HydrophobicContact CD2-CB 3.85Å; L112-M132 HydrophobicContact CD2-CG 4.16Å; V115-M132 HydrophobicContact CG1-SD 4.43Å; M132-F276 HydrophobicContact CB-CD1 4.03Å; M132-F276 HydrophobicContact CB-CE1 4.06Å; M132-F276 HydrophobicContact CE-CE1 4.48Å; M132-F276 HydrophobicContact SD-CE1 4.16Å; M132-P277 WeakPolarHBondContact O-CD 3.33Å
133	S	93.7	Very high	86.9	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.007	35%	0.346	C	S	.	.			trans	-161.3	154.8	-172.1	60.9	0	0	0	0	112.1	T150	S133-T150 PolarHBondContact N-OG1 3.13Å; S133-T150 PolarHBondContact O-OG1 3.46Å
134	I	95.4	Very high	87.5	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135	171.9	-54.6	175.7	0	0	0	107.8	I105 A108 L112 P277 I278 Y279	I105-I134 HydrophobicContact CG2-CD1 3.86Å; A108-I134 HydrophobicContact CB-CD1 3.81Å; A108-I134 HydrophobicContact CB-CG1 4.03Å; A108-I134 HydrophobicContact CB-CG2 4.34Å; L112-I134 HydrophobicContact CD1-CD1 4.1Å; L112-I134 HydrophobicContact CD1-CG1 3.52Å; I134-P277 PolarHBondContact N-O 3.16Å; I134-I278 HydrophobicContact CB-CG1 4.29Å; I134-I278 HydrophobicContact CD1-CG1 4.37Å; I134-I278 WeakPolarHBondContact O-CA 3.46Å; I134-Y279 PolarHBondContact O-N 3.36Å
135	R	95.2	Very high	88.2	Confident	52 Å²	52	55.5 Å²	55.5	20%	0.196	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	119.7	-175.7	-80.6	-175.8	-73.8	-122.2	-4.2	111.4	E131 I148 Y279 W327	E131-R135 IonicContact OE1-NH1 3.79Å; E131-R135 IonicContact OE2-CZ 3.18Å; E131-R135 IonicContact OE2-NH1 3.25Å; E131-R135 PolarHBondContact OE2-NH1 3.42Å; E131-R135 IonicContact OE2-NH2 3.02Å; R135-I148 HydrophobicContact CB-CB 4.27Å; R135-I148 PolarHBondContact N-O 2.91Å; R135-I148 PolarHBondContact O-N 2.85Å; R135-Y279 WeakPolarHBondContact CA-O 3.26Å; R135-Y279 HydrophobicContact CG-CD2 4.32Å; R135-W327 HydrophobicContact CB-CE3 4.3Å; R135-W327 HydrophobicContact CB-CH2 3.77Å; R135-W327 HydrophobicContact CB-CZ2 4.5Å; R135-W327 HydrophobicContact CB-CZ3 3.65Å; R135-W327 HydrophobicContact CG-CD2 4.42Å; R135-W327 HydrophobicContact CG-CE3 4.04Å; R135-W327 HydrophobicContact CG-CH2 4.15Å; R135-W327 HydrophobicContact CG-CZ3 3.89Å
136	I	96	Very high	89.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.4	-176.3	-54.4	168.2	0	0	0	109.5	L101 I105 L145 H146 I147 L263 V267 I278 Y279 V280 W281 W327	L101-I136 HydrophobicContact CD1-CD1 4.37Å; I105-I136 HydrophobicContact CD1-CD1 3.77Å; I105-I136 HydrophobicContact CG1-CD1 4.25Å; I136-L145 HydrophobicContact CG2-CD1 3.88Å; I136-H146 CarbonylContact C-O 3.41Å; I136-H146 WeakPolarHBondContact CA-O 3.14Å; I136-I147 HydrophobicContact CG2-CG1 4.49Å; I136-L263 HydrophobicContact CG2-CD1 4.23Å; I136-L263 HydrophobicContact CG2-CD2 4.46Å; I136-V267 HydrophobicContact CD1-CG2 3.82Å; I136-I278 HydrophobicContact CD1-CG2 3.84Å; I136-Y279 PolarHBondContact N-O 3.21Å; I136-V280 HydrophobicContact CB-CG2 4.33Å; I136-V280 HydrophobicContact CD1-CG2 4.43Å; I136-W281 PolarHBondContact O-N 3.4Å; I136-W327 WeakPolarHBondContact O-CZ3 3.48Å
137	K	94.3	Very high	89.9	Confident	63 Å²	63	53.5 Å²	53.5	27%	0.274	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	108.8	-178.2	173	175.5	166.5	-70.2	0	111.9	H146 W281 W327	K137-H146 HydrophobicContact CB-CB 4.48Å; K137-H146 PolarHBondContact N-O 3.08Å; K137-H146 PolarHBondContact O-N 2.75Å; K137-W281 HydrophobicContact CB-CB 3.91Å; K137-W281 HydrophobicContact CD-CB 4.43Å; K137-W281 HydrophobicContact CD-CG 4.18Å; K137-W281 HydrophobicContact CG-CB 3.99Å; K137-W281 HydrophobicContact CG-CG 4.1Å; K137-W327 HydrophobicContact CB-CH2 4.05Å; K137-W327 HydrophobicContact CB-CZ3 4.49Å
138	A	93.3	Very high	90.8	Very high	22 Å²	22	49 Å²	49	18%	0.182	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	154	164.2	0	0	0	0	0	112.4	L145 L258 L263	A138-L145 HydrophobicContact CB-CD1 4.3Å; A138-L258 HydrophobicContact CB-CB 4.35Å; A138-L258 HydrophobicContact CB-CD2 4.15Å; A138-L258 WeakPolarHBondContact CB-O 3.49Å; A138-L263 HydrophobicContact CB-CD1 3.93Å
139	N	92.2	Very high	91.8	Very high	49 Å²	49	44.1 Å²	44.1	26%	0.262	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	76.9	177.4	-177.8	33.5	0	0	0	110.5	D141 A142 R143 T144	N139-D141 PolarHBondContact O-N 3.5Å; N139-D141 VanDerWaalsContact O-N 3.13Å; N139-A142 VanDerWaalsContact ND2-CB 3.34Å; N139-A142 WeakPolarHBondContact ND2-CB 3.49Å; N139-A142 PolarHBondContact O-N 3.24Å; N139-R143 PolarHBondContact O-N 3.03Å; N139-R143 VanDerWaalsContact O-N 3.16Å; N139-T144 WeakPolarHBondContact CA-O 3.39Å; N139-T144 WeakPolarHBondContact CB-O 3.18Å; N139-T144 PolarHBondContact N-O 3.21Å; N139-T144 PolarHBondContact ND2-OG1 3.32Å; N139-T144 PolarHBondContact O-N 2.89Å
140	K	89.3	Confident	92.7	Very high	73 Å²	73	43.7 Å²	43.7	32%	0.317	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.8	-174.7	-155.9	162.9	-177.2	77.4	0	114	A142 E255 L258	K140-A142 PolarHBondContact O-N 3.49Å; K140-E255 WeakPolarHBondContact CE-OE2 3.47Å; K140-E255 PolarHBondContact NZ-O 3.36Å; K140-E255 IonicContact NZ-OE2 2.9Å; K140-E255 PolarHBondContact NZ-OE2 3.17Å; K140-L258 HydrophobicContact CB-CB 4.23Å; K140-L258 HydrophobicContact CB-CD1 4.46Å; K140-L258 HydrophobicContact CD-CB 4.15Å; K140-L258 HydrophobicContact CG-CB 4.12Å; K140-L258 HydrophobicContact CG-CD1 4Å
141	D	89.7	Confident	93.2	Very high	169 Å²	169	37.3 Å²	37.3	90%	0.904	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.6	172.8	-77.3	-5.7	0	0	0	114.1	N139	N139-D141 PolarHBondContact O-N 3.5Å; N139-D141 VanDerWaalsContact O-N 3.13Å
142	A	90.6	Very high	93.6	Very high	55 Å²	55	34.6 Å²	34.6	46%	0.455	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.1	4.1	179.8	0	0	0	0	0	113.6	N139 K140 T144	N139-A142 VanDerWaalsContact ND2-CB 3.34Å; N139-A142 WeakPolarHBondContact ND2-CB 3.49Å; N139-A142 PolarHBondContact O-N 3.24Å; K140-A142 PolarHBondContact O-N 3.49Å; A142-T144 HydrophobicContact CB-CG2 4.31Å; A142-T144 PolarHBondContact O-N 3.1Å
143	R	93.3	Very high	93.6	Very high	56 Å²	56	32.2 Å²	32.2	21%	0.211	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	38.1	-169	-144	171.5	66.9	-158.5	10.5	113.8	N139 L250 T251 E252 E255 L258	N139-R143 PolarHBondContact O-N 3.03Å; N139-R143 VanDerWaalsContact O-N 3.16Å; R143-L250 HydrophobicContact CG-CB 4.38Å; R143-L250 PolarHBondContact NE-O 2.82Å; R143-L250 PolarHBondContact NH2-O 2.84Å; R143-L250 PolarHBondContact O-N 2.86Å; R143-T251 WeakPolarHBondContact CD-O 3.29Å; R143-T251 VanDerWaalsContact CZ-O 3.27Å; R143-T251 PolarHBondContact NE-O 3.33Å; R143-T251 PolarHBondContact NH2-O 2.97Å; R143-E252 IonicContact CZ-OE1 2.74Å; R143-E252 IonicContact NH1-OE1 2.66Å; R143-E252 PolarHBondContact NH1-OE1 3.48Å; R143-E252 IonicContact NH1-OE2 3.72Å; R143-E252 PolarHBondContact NH1-OE2 2.86Å; R143-E252 VanDerWaalsContact NH1-OE2 3.16Å; R143-E252 IonicContact NH2-OE1 3.9Å; R143-E252 PolarHBondContact NH2-OE1 2.84Å; R143-E255 VanDerWaalsContact CD-OE1 3.26Å; R143-E255 WeakPolarHBondContact CD-OE1 3.36Å; R143-E255 HydrophobicContact CG-CG 4.07Å; R143-L258 HydrophobicContact CB-CD1 4.41Å; R143-L258 HydrophobicContact CG-CD1 3.59Å
144	T	94.3	Very high	93.6	Very high	6 Å²	6	33.9 Å²	33.9	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	140.9	177.7	62.9	0	0	0	0	114	N139 A142 H146 V247 L248 Y249 L258	N139-T144 WeakPolarHBondContact CA-O 3.39Å; N139-T144 WeakPolarHBondContact CB-O 3.18Å; N139-T144 PolarHBondContact N-O 3.21Å; N139-T144 PolarHBondContact ND2-OG1 3.32Å; N139-T144 PolarHBondContact O-N 2.89Å; A142-T144 HydrophobicContact CB-CG2 4.31Å; A142-T144 PolarHBondContact O-N 3.1Å; T144-H146 PolarHBondContact OG1-CD2 2.64Å; T144-H146 PolarHBondContact OG1-NE2 3.18Å; T144-V247 HydrophobicContact CG2-CG1 4.02Å; T144-L248 WeakPolarHBondContact CA-O 3.34Å; T144-L248 WeakPolarHBondContact CB-O 3.26Å; T144-Y249 HydrophobicContact CG2-CD1 3.55Å; T144-Y249 HydrophobicContact CG2-CE1 3.62Å; T144-Y249 HydrophobicContact CG2-CG 4.06Å; T144-L258 WeakPolarHBondContact O-CD2 3.4Å
145	L	96.1	Very high	93.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.5	167.4	-179	56.7	0	0	0	109	F100 I136 A138 V247 L248 L250 L263	F100-L145 HydrophobicContact CE2-CD2 3.87Å; F100-L145 HydrophobicContact CZ-CD2 3.83Å; I136-L145 HydrophobicContact CG2-CD1 3.88Å; A138-L145 HydrophobicContact CB-CD1 4.3Å; L145-V247 WeakPolarHBondContact O-CA 3.37Å; L145-L248 HydrophobicContact CB-CB 4.39Å; L145-L248 HydrophobicContact CD2-CD1 4.43Å; L145-L248 PolarHBondContact N-O 3.37Å; L145-L248 PolarHBondContact O-N 3.48Å; L145-L250 HydrophobicContact CB-CD1 4.21Å; L145-L263 HydrophobicContact CD1-CD1 3.81Å; L145-L263 HydrophobicContact CD1-CD2 4.27Å; L145-L263 HydrophobicContact CD2-CD2 4.03Å
146	H	95.3	Very high	93.4	Very high	30 Å²	30	37 Å²	37	14%	0.139	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.4	179.3	-64.5	-117.4	0	0	0	109.9	I136 K137 T144 E245 I246	I136-H146 CarbonylContact C-O 3.41Å; I136-H146 WeakPolarHBondContact CA-O 3.14Å; K137-H146 HydrophobicContact CB-CB 4.48Å; K137-H146 PolarHBondContact N-O 3.08Å; K137-H146 PolarHBondContact O-N 2.75Å; T144-H146 PolarHBondContact OG1-CD2 2.64Å; T144-H146 PolarHBondContact OG1-NE2 3.18Å; H146-E245 IonicContact CE1-OE1 2.63Å; H146-E245 IonicContact CG-OE1 3.23Å; H146-E245 IonicContact ND1-OE1 3.4Å; H146-E245 PolarHBondContact ND1-OE1 3.45Å; H146-I246 WeakPolarHBondContact CA-O 3.41Å
147	I	96.3	Very high	93.2	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	118.5	173.6	-63	163.3	0	0	0	107.1	L101 L104 I136 E245 I246	L101-I147 HydrophobicContact CD1-CD1 3.69Å; L101-I147 HydrophobicContact CD1-CG1 4.37Å; L104-I147 HydrophobicContact CB-CD1 3.92Å; L104-I147 HydrophobicContact CD1-CD1 3.6Å; L104-I147 HydrophobicContact CG-CD1 4.44Å; I136-I147 HydrophobicContact CG2-CG1 4.49Å; I147-E245 WeakPolarHBondContact O-CA 3.28Å; I147-I246 PolarHBondContact N-O 3.18Å; I147-I246 PolarHBondContact O-N 3.17Å
148	I	95.5	Very high	93.1	Very high	32 Å²	32	40.9 Å²	40.9	16%	0.164	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	115.9	-169.7	-53.5	173.7	0	0	0	109.5	R135 T244 E245	R135-I148 HydrophobicContact CB-CB 4.27Å; R135-I148 PolarHBondContact N-O 2.91Å; R135-I148 PolarHBondContact O-N 2.85Å; I148-T244 WeakPolarHBondContact CA-O 3.13Å; I148-E245 HydrophobicContact CD1-CG 4.48Å; I148-E245 HydrophobicContact CG1-CB 4.12Å; I148-E245 HydrophobicContact CG1-CG 4.01Å
149	D	95.5	Very high	93	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.064	22%	0.217	C	C	.	.			trans	-98.1	177.1	173.4	86	-83.4	0	0	0	111.9	A108 G151 T244	A108-D149 HydrophobicContact CB-CB 3.8Å; D149-G151 VanDerWaalsContact OD2-CA 3.32Å; D149-G151 WeakPolarHBondContact OD2-CA 3.41Å; D149-G151 PolarHBondContact OD2-N 2.92Å; D149-T244 PolarHBondContact N-O 2.58Å; D149-T244 VanDerWaalsContact OD1-CA 3.23Å; D149-T244 WeakPolarHBondContact OD1-CA 3.49Å; D149-T244 WeakPolarHBondContact OD1-CB 3.38Å; D149-T244 PolarHBondContact OD1-N 2.62Å; D149-T244 PolarHBondContact OD1-OG1 3.1Å
150	T	94.2	Very high	93	Very high	8 Å²	8	40.6 Å²	40.6	5%	0.049	22%	0.224	C	C	.	.			trans	-137	23.2	176.9	38.1	0	0	0	0	112.1	E131 S133 R242	E131-T150 WeakPolarHBondContact O-CB 3.08Å; E131-T150 PolarHBondContact O-OG1 2.94Å; S133-T150 PolarHBondContact N-OG1 3.13Å; S133-T150 PolarHBondContact O-OG1 3.46Å; T150-R242 PolarHBondContact O-NE 3.47Å; T150-R242 PolarHBondContact O-NH2 3.44Å
151	G	92.5	Very high	93	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-74.1	-149.2	-179.9	0	0	0	0	0	113.5	A111 D149 R242	A111-G151 CarbonylContact O-C 3.59Å; A111-G151 WeakPolarHBondContact O-CA 3.42Å; D149-G151 VanDerWaalsContact OD2-CA 3.32Å; D149-G151 WeakPolarHBondContact OD2-CA 3.41Å; D149-G151 PolarHBondContact OD2-N 2.92Å; G151-R242 WeakPolarHBondContact O-CD 3.4Å; G151-R242 VanDerWaalsContact O-CG 3.28Å; G151-R242 WeakPolarHBondContact O-CG 3.46Å; G151-R242 PolarHBondContact O-NE 3.26Å
152	I	91.6	Very high	93.1	Very high	41 Å²	41	32.7 Å²	32.7	21%	0.21	19%	0.188	C	C	.	.			trans	-69.2	-37.2	-175.7	-168.4	175.3	0	0	0	113.7	A111 K114 V115 L118 S214	A111-I152 HydrophobicContact CB-CG2 4.49Å; A111-I152 PolarHBondContact O-N 2.53Å; K114-I152 HydrophobicContact CB-CB 4.28Å; K114-I152 HydrophobicContact CB-CD1 4.35Å; K114-I152 HydrophobicContact CB-CG2 3.96Å; K114-I152 HydrophobicContact CD-CG2 4.32Å; V115-I152 HydrophobicContact CB-CB 4.28Å; L118-I152 HydrophobicContact CD1-CD1 3.57Å; I152-S214 WeakPolarHBondContact O-CA 3.25Å
153	G	92.2	Very high	93	Very high	3 Å²	3	30.9 Å²	30.9	3%	0.031	17%	0.171	C	C	.	.			trans	69.6	167.2	-169.6	0	0	0	0	0	113.6
154	M	93.7	Very high	92.6	Very high	37 Å²	37	29.4 Å²	29.4	18%	0.182	17%	0.173	C	C	.	.			trans	-114	148.5	-175.8	-67.7	173.4	-80	0	0	112.2	E158 L159 L163 V210 S212 S214 T244	M154-E158 HydrophobicContact CB-CB 4.04Å; M154-E158 HydrophobicContact CG-CB 4.26Å; M154-L159 HydrophobicContact CB-CD2 3.95Å; M154-L159 HydrophobicContact CB-CG 3.89Å; M154-L159 HydrophobicContact CE-CD2 3.81Å; M154-L159 HydrophobicContact SD-CD2 4.04Å; M154-L163 HydrophobicContact CE-CD1 4.09Å; M154-L163 HydrophobicContact SD-CD1 4.39Å; M154-L163 HydrophobicContact SD-CG 4.41Å; M154-V210 HydrophobicContact CE-CG1 4.28Å; M154-S212 PolarHBondContact N-OG 3.16Å; M154-S214 PolarHBondContact O-N 3.06Å; M154-T244 HydrophobicContact CE-CG2 4.36Å
155	T	93.4	Very high	92.2	Very high	28 Å²	28	32.2 Å²	32.2	17%	0.172	19%	0.19	C	C	.	.			trans	-85.7	169.5	169.8	59.9	0	0	0	0	112	A157 E158 L159 D217	T155-A157 PolarHBondContact O-N 2.89Å; T155-E158 VanDerWaalsContact CB-OE2 3.3Å; T155-E158 WeakPolarHBondContact CB-OE2 3.47Å; T155-E158 VanDerWaalsContact CG2-OE2 3.28Å; T155-E158 WeakPolarHBondContact CG2-OE2 3.21Å; T155-E158 PolarHBondContact N-OE2 3.08Å; T155-E158 PolarHBondContact O-N 2.9Å; T155-E158 VanDerWaalsContact OG1-CD 3.31Å; T155-E158 WeakPolarHBondContact OG1-CG 3.42Å; T155-E158 PolarHBondContact OG1-N 3.1Å; T155-E158 PolarHBondContact OG1-OE2 2.89Å; T155-L159 WeakPolarHBondContact O-CG 3.17Å; T155-L159 PolarHBondContact O-N 3.2Å; T155-D217 HydrophobicContact CG2-CB 3.97Å
156	E	92.4	Very high	91.6	Very high	90 Å²	90	33.4 Å²	33.4	42%	0.421	20%	0.197	S	C	.	.	H	α-helix	trans	-52.7	-37.7	174.7	-164.6	170.3	-178.2	0	0	112.9	T160 D217 H220 V231	E156-T160 PolarHBondContact O-N 3.26Å; E156-T160 PolarHBondContact O-OG1 2.67Å; E156-D217 PolarHBondContact N-OD2 3.18Å; E156-H220 IonicContact OE2-CE1 2.73Å; E156-H220 PolarHBondContact OE2-CE1 3.31Å; E156-H220 IonicContact OE2-NE2 2.85Å; E156-V231 HydrophobicContact CG-CG1 4.16Å
157	A	91.7	Very high	91	Very high	71 Å²	71	35.3 Å²	35.3	59%	0.587	22%	0.217	S	C	*	.	H	α-helix	trans	-74.1	-41.1	178.9	0	0	0	0	0	112.7	T155 T160 S161	T155-A157 PolarHBondContact O-N 2.89Å; A157-T160 PolarHBondContact O-N 2.86Å; A157-S161 WeakPolarHBondContact O-CB 3.32Å; A157-S161 PolarHBondContact O-N 2.61Å
158	E	91.7	Very high	90.5	Very high	72 Å²	72	38.1 Å²	38.1	34%	0.336	23%	0.229	S	C	.	.	H	α-helix	trans	-70.1	-38.3	177.9	-70.7	158.5	141.1	0	0	111.7	M154 T155 T160 S161 N162	M154-E158 HydrophobicContact CB-CB 4.04Å; M154-E158 HydrophobicContact CG-CB 4.26Å; T155-E158 VanDerWaalsContact CB-OE2 3.3Å; T155-E158 WeakPolarHBondContact CB-OE2 3.47Å; T155-E158 VanDerWaalsContact CG2-OE2 3.28Å; T155-E158 WeakPolarHBondContact CG2-OE2 3.21Å; T155-E158 PolarHBondContact N-OE2 3.08Å; T155-E158 PolarHBondContact O-N 2.9Å; T155-E158 VanDerWaalsContact OG1-CD 3.31Å; T155-E158 WeakPolarHBondContact OG1-CG 3.42Å; T155-E158 PolarHBondContact OG1-N 3.1Å; T155-E158 PolarHBondContact OG1-OE2 2.89Å; E158-T160 PolarHBondContact O-N 3.46Å; E158-S161 PolarHBondContact O-N 3.31Å; E158-N162 WeakPolarHBondContact O-CB 3.3Å; E158-N162 PolarHBondContact O-N 2.87Å
159	L	91.9	Very high	90.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59	-37.7	171	-73.5	171.7	0	0	0	111.6	M154 T155 L163 V210 H220 W222	M154-L159 HydrophobicContact CB-CD2 3.95Å; M154-L159 HydrophobicContact CB-CG 3.89Å; M154-L159 HydrophobicContact CE-CD2 3.81Å; M154-L159 HydrophobicContact SD-CD2 4.04Å; T155-L159 WeakPolarHBondContact O-CG 3.17Å; T155-L159 PolarHBondContact O-N 3.2Å; L159-L163 HydrophobicContact CD2-CD1 3.78Å; L159-L163 WeakPolarHBondContact O-CB 3.48Å; L159-L163 PolarHBondContact O-N 3.35Å; L159-V210 HydrophobicContact CD2-CG1 4.26Å; L159-H220 HydrophobicContact CD1-CB 3.7Å; L159-W222 HydrophobicContact CD2-CB 4.22Å
160	T	91.5	Very high	89.6	Confident	66 Å²	66	37.6 Å²	37.6	41%	0.405	23%	0.233	S	C	.	.	H	α-helix	trans	-75.8	-40.8	179.3	-52.4	0	0	0	0	112.2	E156 A157 E158 G164 F229	E156-T160 PolarHBondContact O-N 3.26Å; E156-T160 PolarHBondContact O-OG1 2.67Å; A157-T160 PolarHBondContact O-N 2.86Å; E158-T160 PolarHBondContact O-N 3.46Å; T160-G164 VanDerWaalsContact O-CA 3.26Å; T160-G164 WeakPolarHBondContact O-CA 3.37Å; T160-G164 PolarHBondContact O-N 3.02Å; T160-F229 HydrophobicContact CG2-CE2 4.46Å
161	S	90.3	Very high	89.1	Confident	41 Å²	41	37.4 Å²	37.4	29%	0.287	23%	0.231	S	C	.	.	H	α-helix	trans	-88.4	-22.2	-175.5	-174.2	0	0	0	0	115.2	A157 E158 T165 K168	A157-S161 WeakPolarHBondContact O-CB 3.32Å; A157-S161 PolarHBondContact O-N 2.61Å; E158-S161 PolarHBondContact O-N 3.31Å; S161-T165 PolarHBondContact O-OG1 3.16Å; S161-K168 WeakPolarHBondContact O-CD 3.34Å; S161-K168 WeakPolarHBondContact OG-CE 3.47Å; S161-K168 PolarHBondContact OG-NZ 2.93Å; S161-K168 VanDerWaalsContact OG-NZ 3.09Å
162	N	90.4	Very high	88.7	Confident	34 Å²	34	39.5 Å²	39.5	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-107	-26	-174.2	-55.4	-12.7	0	0	0	112.7	E158	E158-N162 WeakPolarHBondContact O-CB 3.3Å; E158-N162 PolarHBondContact O-N 2.87Å
163	L	89.5	Confident	88.5	Confident	17 Å²	17	41 Å²	41	9%	0.089	25%	0.252	C	S	.	.	S	Bend	trans	-110	-5.1	174.4	-50.1	-179	0	0	0	112.7	M154 L159 F198 Y199 V210 W222	M154-L163 HydrophobicContact CE-CD1 4.09Å; M154-L163 HydrophobicContact SD-CD1 4.39Å; M154-L163 HydrophobicContact SD-CG 4.41Å; L159-L163 HydrophobicContact CD2-CD1 3.78Å; L159-L163 WeakPolarHBondContact O-CB 3.48Å; L159-L163 PolarHBondContact O-N 3.35Å; L163-F198 HydrophobicContact CB-CE1 4.3Å; L163-F198 HydrophobicContact CD1-CZ 4.31Å; L163-F198 HydrophobicContact CD2-CD1 3.81Å; L163-F198 HydrophobicContact CD2-CD2 4.17Å; L163-F198 HydrophobicContact CD2-CE1 4.01Å; L163-F198 HydrophobicContact CD2-CE2 4.37Å; L163-F198 HydrophobicContact CD2-CG 3.89Å; L163-F198 HydrophobicContact CD2-CZ 4.29Å; L163-Y199 PolarHBondContact O-OH 3.28Å; L163-V210 HydrophobicContact CD1-CB 4.34Å; L163-V210 HydrophobicContact CD1-CG1 4.04Å; L163-V210 HydrophobicContact CD1-CG2 4.25Å; L163-W222 HydrophobicContact CB-CD2 4.47Å; L163-W222 HydrophobicContact CB-CZ2 4Å; L163-W222 HydrophobicContact CD1-CD2 4.34Å; L163-W222 HydrophobicContact CD1-CG 4.45Å; L163-W222 VanDerWaalsContact O-CZ2 3.27Å; L163-W222 WeakPolarHBondContact O-CZ2 3.47Å
164	G	84.9	Confident	88.1	Confident	25 Å²	25	42.4 Å²	42.4	26%	0.258	26%	0.258	S	S	.	.	S	Bend	trans	-113	18.3	177.1	0	0	0	0	0	113.2	T160 F229	T160-G164 VanDerWaalsContact O-CA 3.26Å; T160-G164 WeakPolarHBondContact O-CA 3.37Å; T160-G164 PolarHBondContact O-N 3.02Å; G164-F229 VanDerWaalsContact CA-CE1 3.45Å
165	T	85.3	Confident	87.5	Confident	65 Å²	65	42.7 Å²	42.7	40%	0.399	26%	0.26	S	S	.	.	S	Bend	trans	-146.2	124.1	176.6	-53.8	0	0	0	0	107.5	S161 K168 Y199	S161-T165 PolarHBondContact O-OG1 3.16Å; T165-K168 HydrophobicContact CG2-CB 3.97Å; T165-Y199 PolarHBondContact O-OH 3.2Å
166	I	83.4	Confident	87	Confident	26 Å²	26	45.3 Å²	45.3	13%	0.133	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	153.6	178	-63.5	177.8	0	0	0	108.9	V82 M85 M86 I89 K168 V196 Y199	V82-I166 HydrophobicContact CG1-CD1 4.07Å; M85-I166 HydrophobicContact CE-CB 4.24Å; M85-I166 HydrophobicContact CE-CD1 4.14Å; M85-I166 HydrophobicContact CE-CG2 4.28Å; M85-I166 HydrophobicContact CG-CD1 4.23Å; M85-I166 HydrophobicContact CG-CG2 4.16Å; M85-I166 HydrophobicContact SD-CB 4.32Å; M85-I166 HydrophobicContact SD-CG2 3.71Å; M86-I166 HydrophobicContact CE-CD1 4.07Å; I89-I166 HydrophobicContact CD1-CD1 4.34Å; I89-I166 HydrophobicContact CD1-CG2 3.47Å; I89-I166 VanDerWaalsContact CD1-CG2 3.47Å; I166-K168 PolarHBondContact O-N 2.86Å; I166-V196 HydrophobicContact CG2-CG1 4.25Å; I166-Y199 HydrophobicContact CB-CE2 4.43Å; I166-Y199 HydrophobicContact CG1-CE2 3.96Å
167	A	83.4	Confident	86.6	Confident	69 Å²	69	46.4 Å²	46.4	57%	0.57	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	16.6	-175.9	0	0	0	0	0	116.2	F194	A167-F194 CarbonylContact C-O 3.56Å; A167-F194 WeakPolarHBondContact CA-O 3.42Å
168	K	86.3	Confident	85.9	Confident	64 Å²	64	44 Å²	44	28%	0.278	26%	0.256	S	S	.	.			trans	-106.6	98.5	179	-179.2	155.4	176.9	173.3	0	113.4	S161 T165 I166 G170 E173	S161-K168 WeakPolarHBondContact O-CD 3.34Å; S161-K168 WeakPolarHBondContact OG-CE 3.47Å; S161-K168 PolarHBondContact OG-NZ 2.93Å; S161-K168 VanDerWaalsContact OG-NZ 3.09Å; T165-K168 HydrophobicContact CG2-CB 3.97Å; I166-K168 PolarHBondContact O-N 2.86Å; K168-G170 PolarHBondContact O-N 3.07Å; K168-E173 WeakPolarHBondContact CE-OE1 3.38Å; K168-E173 IonicContact NZ-OE1 2.66Å; K168-E173 PolarHBondContact NZ-OE1 2.82Å
169	S	85.8	Confident	85	Confident	10 Å²	10	42.7 Å²	42.7	7%	0.07	26%	0.258	C	S	.	.			trans	-83.2	115.2	175.8	178	0	0	0	0	113.8	T171 S172 E173 G192 Q193	S169-T171 PolarHBondContact O-N 2.86Å; S169-T171 WeakPolarHBondContact OG-CB 3.37Å; S169-T171 PolarHBondContact OG-N 3.26Å; S169-S172 WeakPolarHBondContact CB-OG 3.01Å; S169-S172 PolarHBondContact O-N 2.68Å; S169-S172 PolarHBondContact O-OG 3.43Å; S169-S172 VanDerWaalsContact O-OG 3.1Å; S169-S172 PolarHBondContact OG-N 2.87Å; S169-S172 VanDerWaalsContact OG-N 3.09Å; S169-E173 PolarHBondContact O-N 3.46Å; S169-G192 PolarHBondContact OG-O 3.04Å; S169-Q193 WeakPolarHBondContact CB-O 3.45Å
170	G	85	Confident	84.3	Confident	22 Å²	22	46.8 Å²	46.8	23%	0.227	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	3	164.1	0	0	0	0	0	114.3	K114 K168	K114-G170 VanDerWaalsContact NZ-C 3.33Å; K114-G170 PolarHBondContact NZ-O 2.79Å; K168-G170 PolarHBondContact O-N 3.07Å
171	T	85.1	Confident	83.1	Confident	4 Å²	4	47.8 Å²	47.8	3%	0.025	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-41.9	169.8	-63.8	0	0	0	0	111.4	D110 K114 S169 E173 F174 L175 L190 G192	D110-T171 WeakPolarHBondContact OD2-CB 3.48Å; D110-T171 VanDerWaalsContact OD2-CG2 3.24Å; D110-T171 WeakPolarHBondContact OD2-CG2 3.41Å; D110-T171 PolarHBondContact OD2-OG1 3.24Å; K114-T171 VanDerWaalsContact CE-OG1 3.29Å; K114-T171 WeakPolarHBondContact CE-OG1 3.15Å; K114-T171 PolarHBondContact NZ-OG1 3.36Å; S169-T171 PolarHBondContact O-N 2.86Å; S169-T171 WeakPolarHBondContact OG-CB 3.37Å; S169-T171 PolarHBondContact OG-N 3.26Å; T171-E173 PolarHBondContact O-N 2.93Å; T171-F174 WeakPolarHBondContact O-CA 3.48Å; T171-F174 WeakPolarHBondContact O-CB 3.19Å; T171-F174 PolarHBondContact O-N 2.96Å; T171-L175 HydrophobicContact CG2-CD1 4.19Å; T171-L175 PolarHBondContact O-N 2.74Å; T171-L190 HydrophobicContact CG2-CB 3.92Å; T171-L190 HydrophobicContact CG2-CD1 4.23Å; T171-L190 HydrophobicContact CG2-CD2 4.21Å; T171-L190 HydrophobicContact CG2-CG 4.34Å; T171-G192 WeakPolarHBondContact CB-O 3.28Å; T171-G192 WeakPolarHBondContact CG2-O 3.42Å
172	S	83.3	Confident	81.5	Confident	44 Å²	44	52.5 Å²	52.5	31%	0.308	31%	0.305	S	S	.	.	H	α-helix	trans	-62.9	-43.4	176.9	64.1	0	0	0	0	111.3	S169 F174 L175 T176	S169-S172 WeakPolarHBondContact CB-OG 3.01Å; S169-S172 PolarHBondContact O-N 2.68Å; S169-S172 PolarHBondContact O-OG 3.43Å; S169-S172 VanDerWaalsContact O-OG 3.1Å; S169-S172 PolarHBondContact OG-N 2.87Å; S169-S172 VanDerWaalsContact OG-N 3.09Å; S172-F174 PolarHBondContact O-N 3.12Å; S172-F174 VanDerWaalsContact O-N 3.13Å; S172-L175 PolarHBondContact O-N 2.66Å; S172-T176 PolarHBondContact O-N 2.75Å; S172-T176 PolarHBondContact O-OG1 3Å
173	E	86.4	Confident	79.9	Confident	72 Å²	72	55 Å²	55	34%	0.336	32%	0.321	S	S	.	.	H	α-helix	trans	-53.4	-34.2	170.6	-88.6	-157.4	-143.6	0	0	113	K168 S169 T171 K177	K168-E173 WeakPolarHBondContact CE-OE1 3.38Å; K168-E173 IonicContact NZ-OE1 2.66Å; K168-E173 PolarHBondContact NZ-OE1 2.82Å; S169-E173 PolarHBondContact O-N 3.46Å; T171-E173 PolarHBondContact O-N 2.93Å; E173-K177 WeakPolarHBondContact O-CB 3.29Å; E173-K177 WeakPolarHBondContact O-CD 2.97Å; E173-K177 VanDerWaalsContact O-CE 3.27Å; E173-K177 WeakPolarHBondContact O-CE 3.24Å; E173-K177 WeakPolarHBondContact O-CG 3.37Å; E173-K177 PolarHBondContact O-N 3.21Å; E173-K177 IonicContact OE2-NZ 2.7Å; E173-K177 PolarHBondContact OE2-NZ 2.89Å
174	F	85	Confident	78	Confident	33 Å²	33	57.2 Å²	57.2	15%	0.145	34%	0.342	C	S	.	.	H	α-helix	trans	-81.8	-38.2	-179.2	-174.9	-102.2	0	0	0	112	K114 L118 T171 S172 K177 I178 L190	K114-F174 HydrophobicContact CB-CE1 4.13Å; K114-F174 HydrophobicContact CB-CE2 4.48Å; K114-F174 HydrophobicContact CB-CZ 4.05Å; K114-F174 HydrophobicContact CD-CD1 4.49Å; K114-F174 HydrophobicContact CG-CD1 3.64Å; K114-F174 HydrophobicContact CG-CD2 4.31Å; K114-F174 HydrophobicContact CG-CE1 3.56Å; K114-F174 HydrophobicContact CG-CE2 4.27Å; K114-F174 HydrophobicContact CG-CG 4.01Å; K114-F174 HydrophobicContact CG-CZ 3.9Å; L118-F174 HydrophobicContact CD1-CE2 4.33Å; L118-F174 HydrophobicContact CD2-CE2 4.44Å; L118-F174 HydrophobicContact CG-CE2 4.26Å; L118-F174 HydrophobicContact CG-CZ 4.27Å; T171-F174 WeakPolarHBondContact O-CA 3.48Å; T171-F174 WeakPolarHBondContact O-CB 3.19Å; T171-F174 PolarHBondContact O-N 2.96Å; S172-F174 PolarHBondContact O-N 3.12Å; S172-F174 VanDerWaalsContact O-N 3.13Å; F174-K177 PolarHBondContact O-N 3.22Å; F174-I178 HydrophobicContact CD1-CD1 3.69Å; F174-I178 HydrophobicContact CD1-CG1 4.49Å; F174-I178 HydrophobicContact CE1-CD1 3.22Å; F174-I178 HydrophobicContact CE1-CG1 4.26Å; F174-I178 HydrophobicContact CE2-CD1 4.46Å; F174-I178 HydrophobicContact CZ-CD1 3.66Å; F174-I178 HydrophobicContact CZ-CG1 4.44Å; F174-I178 PolarHBondContact O-N 2.93Å; F174-L190 HydrophobicContact CD1-CD1 3.87Å; F174-L190 HydrophobicContact CE1-CD1 4.26Å
175	L	81.1	Confident	76.5	Confident	44 Å²	44	61.9 Å²	61.9	23%	0.23	37%	0.371	C	S	.	.	H	α-helix	trans	-57.8	-48.5	170.7	-82.4	164.9	0	0	0	111.2	T171 S172 K177 I178 A179 L190	T171-L175 HydrophobicContact CG2-CD1 4.19Å; T171-L175 PolarHBondContact O-N 2.74Å; S172-L175 PolarHBondContact O-N 2.66Å; L175-K177 PolarHBondContact O-N 2.8Å; L175-I178 PolarHBondContact O-N 2.99Å; L175-I178 VanDerWaalsContact O-N 3.17Å; L175-A179 WeakPolarHBondContact O-CB 3.41Å; L175-A179 PolarHBondContact O-N 2.7Å; L175-L190 HydrophobicContact CD1-CB 4.3Å; L175-L190 HydrophobicContact CD2-CB 4.25Å; L175-L190 HydrophobicContact CD2-CD1 3.78Å; L175-L190 HydrophobicContact CG-CB 4.37Å; L175-L190 HydrophobicContact CG-CD1 3.85Å
176	T	82.6	Confident	75	Confident	82 Å²	82	64.2 Å²	64.2	50%	0.503	38%	0.377	S	S	.	.	H	α-helix	trans	-61.4	-42.8	177.3	-53.9	0	0	0	0	111.8	S172 I178 A179 Q180	S172-T176 PolarHBondContact O-N 2.75Å; S172-T176 PolarHBondContact O-OG1 3Å; T176-I178 VanDerWaalsContact C-N 3.34Å; T176-I178 PolarHBondContact O-N 2.94Å; T176-A179 PolarHBondContact O-N 3.5Å; T176-Q180 WeakPolarHBondContact O-CG 3.25Å; T176-Q180 PolarHBondContact O-N 2.71Å
177	K	83.3	Confident	73.6	Confident	114 Å²	114	66.7 Å²	66.7	50%	0.496	39%	0.387	S	S	.	.	H	α-helix	trans	-65.2	-33.7	176	-70.6	162.9	-159.4	166.8	0	112.4	E173 F174 L175 T181	E173-K177 WeakPolarHBondContact O-CB 3.29Å; E173-K177 WeakPolarHBondContact O-CD 2.97Å; E173-K177 VanDerWaalsContact O-CE 3.27Å; E173-K177 WeakPolarHBondContact O-CE 3.24Å; E173-K177 WeakPolarHBondContact O-CG 3.37Å; E173-K177 PolarHBondContact O-N 3.21Å; E173-K177 IonicContact OE2-NZ 2.7Å; E173-K177 PolarHBondContact OE2-NZ 2.89Å; F174-K177 PolarHBondContact O-N 3.22Å; L175-K177 PolarHBondContact O-N 2.8Å; K177-T181 WeakPolarHBondContact O-CG2 3.42Å
178	I	77.6	Confident	72.4	Confident	21 Å²	21	65.8 Å²	65.8	11%	0.108	38%	0.376	C	S	.	.	H	α-helix	trans	-73.7	-39.8	172.3	-76.6	175.6	0	0	0	111.6	V117 F174 L175 T176 Q180 T181 K187	V117-I178 HydrophobicContact CG1-CD1 3.84Å; F174-I178 HydrophobicContact CD1-CD1 3.69Å; F174-I178 HydrophobicContact CD1-CG1 4.49Å; F174-I178 HydrophobicContact CE1-CD1 3.22Å; F174-I178 HydrophobicContact CE1-CG1 4.26Å; F174-I178 HydrophobicContact CE2-CD1 4.46Å; F174-I178 HydrophobicContact CZ-CD1 3.66Å; F174-I178 HydrophobicContact CZ-CG1 4.44Å; F174-I178 PolarHBondContact O-N 2.93Å; L175-I178 PolarHBondContact O-N 2.99Å; L175-I178 VanDerWaalsContact O-N 3.17Å; T176-I178 VanDerWaalsContact C-N 3.34Å; T176-I178 PolarHBondContact O-N 2.94Å; I178-Q180 PolarHBondContact O-N 3.21Å; I178-T181 PolarHBondContact O-N 3.34Å; I178-T181 PolarHBondContact O-OG1 3.09Å; I178-K187 HydrophobicContact CG2-CG 4.16Å
179	A	72.9	Confident	71.6	Confident	44 Å²	44	63.7 Å²	63.7	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-54.2	-43.6	-178.4	0	0	0	0	0	111.6	L175 T176 T181	L175-A179 WeakPolarHBondContact O-CB 3.41Å; L175-A179 PolarHBondContact O-N 2.7Å; T176-A179 PolarHBondContact O-N 3.5Å; A179-T181 PolarHBondContact O-N 2.92Å
180	Q	76.4	Confident	71.4	Confident	86 Å²	86	63.8 Å²	63.8	40%	0.402	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.9	175.4	-65.6	171.8	-4.8	0	0	114.8	T176 I178	T176-Q180 WeakPolarHBondContact O-CG 3.25Å; T176-Q180 PolarHBondContact O-N 2.71Å; I178-Q180 PolarHBondContact O-N 3.21Å
181	T	68	Low	71.2	Confident	87 Å²	87	63.2 Å²	63.2	53%	0.534	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	3.3	-175.4	67.8	0	0	0	0	115.2	K177 I178 A179 T183	K177-T181 WeakPolarHBondContact O-CG2 3.42Å; I178-T181 PolarHBondContact O-N 3.34Å; I178-T181 PolarHBondContact O-OG1 3.09Å; A179-T181 PolarHBondContact O-N 2.92Å; T181-T183 PolarHBondContact O-N 2.79Å; T181-T183 PolarHBondContact OG1-OG1 2.67Å
182	N	55.2	Low	70.9	Confident	140 Å²	140	63.7 Å²	63.7	75%	0.749	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	11.2	175.9	-81.1	-25.2	0	0	0	117.3	A184	N182-A184 VanDerWaalsContact C-N 3.25Å; N182-A184 PolarHBondContact O-N 2.69Å
183	T	56.9	Low	70.6	Confident	86 Å²	86	66.5 Å²	66.5	53%	0.528	37%	0.374	S	S	.	.			trans	-80.2	72.1	166.5	41.2	0	0	0	0	110.3	T181 S185	T181-T183 PolarHBondContact O-N 2.79Å; T181-T183 PolarHBondContact OG1-OG1 2.67Å; T183-S185 PolarHBondContact O-N 3.31Å
184	A	50.2	Low	70.4	Confident	64 Å²	64	66.3 Å²	66.3	53%	0.529	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-69.5	-30.4	-170.5	0	0	0	0	0	115.4	N182 E186 K187	N182-A184 VanDerWaalsContact C-N 3.25Å; N182-A184 PolarHBondContact O-N 2.69Å; A184-E186 VanDerWaalsContact C-N 3.33Å; A184-E186 PolarHBondContact O-N 2.68Å; A184-K187 WeakPolarHBondContact O-CG 3.16Å
185	S	52.8	Low	70.3	Confident	122 Å²	122	65.6 Å²	65.6	85%	0.853	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-81.6	3.4	-162.7	-165	0	0	0	0	116.5	T183	T183-S185 PolarHBondContact O-N 3.31Å
186	E	53.6	Low	70.6	Confident	114 Å²	114	64.1 Å²	64.1	53%	0.533	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-131.6	20	179.1	-62.5	-174.1	169.5	0	0	112	L120 A184	L120-E186 WeakPolarHBondContact CD1-OE2 3.27Å; A184-E186 VanDerWaalsContact C-N 3.33Å; A184-E186 PolarHBondContact O-N 2.68Å
187	K	54.6	Low	70.8	Confident	79 Å²	79	60.6 Å²	60.6	34%	0.343	35%	0.347	S	S	.	.			trans	-76.5	-17.7	-174.8	-73.9	179.2	171.3	-179	0	115.4	I178 A184 D189	I178-K187 HydrophobicContact CG2-CG 4.16Å; A184-K187 WeakPolarHBondContact O-CG 3.16Å; K187-D189 PolarHBondContact O-N 3.24Å
188	S	58.8	Low	71.2	Confident	49 Å²	49	56 Å²	56	34%	0.343	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-27.3	-163.7	50.1	0	0	0	0	116.5	L190	S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.31Å
189	D	69.6	Low	71.9	Confident	21 Å²	21	55.3 Å²	55.3	11%	0.112	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-0.5	-159.7	-74.2	20.9	0	0	0	114.7	R116 K187 R408	R116-D189 IonicContact CZ-OD2 2.74Å; R116-D189 IonicContact NH1-OD2 2.66Å; R116-D189 IonicContact NH2-OD2 3.71Å; R116-D189 PolarHBondContact NH2-OD2 3.13Å; K187-D189 PolarHBondContact O-N 3.24Å; D189-R408 VanDerWaalsContact CG-NH1 3.33Å; D189-R408 IonicContact OD1-CZ 2.63Å; D189-R408 IonicContact OD1-NH1 3.95Å; D189-R408 PolarHBondContact OD1-NH1 2.75Å; D189-R408 IonicContact OD1-NH2 2.74Å; D189-R408 PolarHBondContact OD1-NH2 2.98Å; D189-R408 IonicContact OD2-CZ 3.1Å; D189-R408 IonicContact OD2-NH1 2.76Å; D189-R408 PolarHBondContact OD2-NH1 3.18Å; D189-R408 IonicContact OD2-NH2 3.66Å
190	L	81.3	Confident	72.8	Confident	12 Å²	12	53.2 Å²	53.2	6%	0.063	31%	0.305	C	S	.	.			trans	-90.1	130.7	-177.4	-70.7	171.7	0	0	0	112.6	D110 D113 T171 F174 L175 S188 R407	D110-L190 HydrophobicContact CB-CD2 4.2Å; D110-L190 WeakPolarHBondContact OD1-CD2 3.48Å; D113-L190 HydrophobicContact CB-CD2 3.8Å; T171-L190 HydrophobicContact CG2-CB 3.92Å; T171-L190 HydrophobicContact CG2-CD1 4.23Å; T171-L190 HydrophobicContact CG2-CD2 4.21Å; T171-L190 HydrophobicContact CG2-CG 4.34Å; F174-L190 HydrophobicContact CD1-CD1 3.87Å; F174-L190 HydrophobicContact CE1-CD1 4.26Å; L175-L190 HydrophobicContact CD1-CB 4.3Å; L175-L190 HydrophobicContact CD2-CB 4.25Å; L175-L190 HydrophobicContact CD2-CD1 3.78Å; L175-L190 HydrophobicContact CG-CB 4.37Å; L175-L190 HydrophobicContact CG-CD1 3.85Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.31Å; L190-R407 WeakPolarHBondContact O-CD 3.42Å; L190-R407 PolarHBondContact O-NH1 2.66Å
191	I	80.5	Confident	73.6	Confident	10 Å²	10	49.1 Å²	49.1	5%	0.051	29%	0.286	C	S	.	.			trans	-102.3	-38.3	-165	-64	160.2	0	0	0	112.1	D110 Q193 V409 R441	D110-I191 PolarHBondContact OD1-N 2.83Å; I191-Q193 PolarHBondContact O-N 3.21Å; I191-V409 HydrophobicContact CD1-CG2 3.72Å; I191-V409 HydrophobicContact CG1-CG2 4.11Å; I191-V409 HydrophobicContact CG2-CG2 4.02Å; I191-R441 PolarHBondContact O-NH1 2.71Å; I191-R441 PolarHBondContact O-NH2 2.83Å
192	G	78.7	Confident	74.8	Confident	14 Å²	14	45.8 Å²	45.8	14%	0.144	27%	0.265	C	S	.	.			trans	-80.6	117	-172.1	0	0	0	0	0	114.2	D110 S169 T171	D110-G192 WeakPolarHBondContact OD2-CA 3.36Å; D110-G192 PolarHBondContact OD2-N 3.44Å; S169-G192 PolarHBondContact OG-O 3.04Å; T171-G192 WeakPolarHBondContact CB-O 3.28Å; T171-G192 WeakPolarHBondContact CG2-O 3.42Å
193	Q	77.1	Confident	76.5	Confident	103 Å²	103	40.3 Å²	40.3	48%	0.481	24%	0.235	S	C	.	.			trans	-114.3	-53.7	177	-170.9	155.8	-40.5	0	0	113	S169 I191	S169-Q193 WeakPolarHBondContact CB-O 3.45Å; I191-Q193 PolarHBondContact O-N 3.21Å
194	F	81.8	Confident	78.3	Confident	67 Å²	67	36.3 Å²	36.3	29%	0.294	21%	0.21	S	C	.	.	S	Bend	trans	-71.2	-34.5	-169.3	-49.7	-51.9	0	0	0	115.5	A167 V196 V439 R441	A167-F194 CarbonylContact C-O 3.56Å; A167-F194 WeakPolarHBondContact CA-O 3.42Å; F194-V196 VanDerWaalsContact C-N 3.35Å; F194-V196 HydrophobicContact CB-CG2 4.05Å; F194-V439 HydrophobicContact CD2-CG1 4.45Å; F194-R441 HydrophobicContact CE2-CG 3.99Å; F194-R441 VanDerWaalsContact CE2-NE 3.35Å
195	G	83	Confident	80.4	Confident	18 Å²	18	33.2 Å²	33.2	19%	0.186	19%	0.185	C	C	.	.	S	Bend	trans	80.2	7.1	-176.6	0	0	0	0	0	115.8
196	V	87.6	Confident	82.2	Confident	13 Å²	13	32.9 Å²	32.9	8%	0.079	17%	0.174	C	C	.	.			trans	-92.9	-27.5	172.5	-63.4	0	0	0	0	113.9	I89 L93 I166 F194 F198 Y199 V439	I89-V196 HydrophobicContact CD1-CG1 4.08Å; L93-V196 HydrophobicContact CD2-CG2 4.27Å; I166-V196 HydrophobicContact CG2-CG1 4.25Å; F194-V196 VanDerWaalsContact C-N 3.35Å; F194-V196 HydrophobicContact CB-CG2 4.05Å; V196-F198 PolarHBondContact O-N 2.85Å; V196-Y199 VanDerWaalsContact O-CD2 3.24Å; V196-Y199 WeakPolarHBondContact O-CD2 3.49Å; V196-Y199 PolarHBondContact O-N 3.41Å; V196-V439 HydrophobicContact CG2-CG1 3.91Å
197	G	86.9	Confident	84.1	Confident	9 Å²	9	30.7 Å²	30.7	9%	0.093	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-17.5	-170.4	0	0	0	0	0	116.7	E103 S200	E103-G197 VanDerWaalsContact CB-O 3.22Å; E103-G197 WeakPolarHBondContact CB-O 3.25Å; G197-S200 WeakPolarHBondContact O-CB 3.48Å; G197-S200 PolarHBondContact O-OG 2.96Å
198	F	92.3	Very high	86.1	Confident	17 Å²	17	27 Å²	27	8%	0.075	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-34.4	171	170.7	-103.8	0	0	0	112.8	L104 L163 V196 S200 S201 V208 V210 W222 I246	L104-F198 HydrophobicContact CD2-CD2 3.99Å; L104-F198 HydrophobicContact CD2-CE2 4.45Å; L163-F198 HydrophobicContact CB-CE1 4.3Å; L163-F198 HydrophobicContact CD1-CZ 4.31Å; L163-F198 HydrophobicContact CD2-CD1 3.81Å; L163-F198 HydrophobicContact CD2-CD2 4.17Å; L163-F198 HydrophobicContact CD2-CE1 4.01Å; L163-F198 HydrophobicContact CD2-CE2 4.37Å; L163-F198 HydrophobicContact CD2-CG 3.89Å; L163-F198 HydrophobicContact CD2-CZ 4.29Å; V196-F198 PolarHBondContact O-N 2.85Å; F198-S200 VanDerWaalsContact C-N 3.27Å; F198-S200 PolarHBondContact O-N 2.61Å; F198-S201 VanDerWaalsContact O-CB 3.31Å; F198-S201 WeakPolarHBondContact O-CB 3.34Å; F198-S201 PolarHBondContact O-N 2.9Å; F198-S201 PolarHBondContact O-OG 2.83Å; F198-V208 HydrophobicContact CE2-CG1 4.26Å; F198-V208 HydrophobicContact CZ-CG1 3.87Å; F198-V210 HydrophobicContact CE2-CG2 3.85Å; F198-V210 HydrophobicContact CZ-CG2 3.69Å; F198-W222 AromaticContact CE1-CH2 3.61Å; F198-W222 HydrophobicContact CE1-CH2 3.61Å; F198-W222 HydrophobicContact CE1-CZ2 4.26Å; F198-W222 AromaticContact CE1-CZ3 3.99Å; F198-W222 HydrophobicContact CE1-CZ3 3.99Å; F198-W222 AromaticContact CZ-CH2 3.91Å; F198-W222 HydrophobicContact CZ-CH2 3.91Å; F198-W222 AromaticContact CZ-CZ3 3.78Å; F198-W222 HydrophobicContact CZ-CZ3 3.78Å; F198-I246 HydrophobicContact CE2-CD1 4.41Å
199	Y	91.8	Very high	87.8	Confident	6 Å²	6	25.6 Å²	25.6	2%	0.024	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-73.9	-17.6	-175.9	-53.5	-69	0	0	0	112.8	M86 L163 T165 I166 V196 S201 F202	M86-Y199 HydrophobicContact CE-CD1 3.79Å; M86-Y199 HydrophobicContact CE-CE1 4.06Å; M86-Y199 HydrophobicContact CE-CG 4.41Å; M86-Y199 HydrophobicContact SD-CD1 4.07Å; M86-Y199 HydrophobicContact SD-CG 4.24Å; L163-Y199 PolarHBondContact O-OH 3.28Å; T165-Y199 PolarHBondContact O-OH 3.2Å; I166-Y199 HydrophobicContact CB-CE2 4.43Å; I166-Y199 HydrophobicContact CG1-CE2 3.96Å; V196-Y199 VanDerWaalsContact O-CD2 3.24Å; V196-Y199 WeakPolarHBondContact O-CD2 3.49Å; V196-Y199 PolarHBondContact O-N 3.41Å; Y199-S201 PolarHBondContact O-N 3.09Å; Y199-F202 HydrophobicContact CD1-CE2 4.42Å; Y199-F202 WeakPolarHBondContact O-CB 3.39Å; Y199-F202 WeakPolarHBondContact O-CD2 3.43Å; Y199-F202 PolarHBondContact O-N 3.22Å
200	S	90.7	Very high	89.1	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-52	-24.4	166	69.6	0	0	0	0	113.2	G197 F198 F202 L203	G197-S200 WeakPolarHBondContact O-CB 3.48Å; G197-S200 PolarHBondContact O-OG 2.96Å; F198-S200 VanDerWaalsContact C-N 3.27Å; F198-S200 PolarHBondContact O-N 2.61Å; S200-F202 PolarHBondContact O-N 3.45Å; S200-F202 VanDerWaalsContact O-N 3.07Å; S200-L203 WeakPolarHBondContact O-CB 3.44Å; S200-L203 WeakPolarHBondContact O-CD1 3.41Å; S200-L203 WeakPolarHBondContact O-CG 3.46Å; S200-L203 PolarHBondContact O-N 3.12Å
201	S	93.6	Very high	89.8	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-60.1	-16.7	174.3	63.6	0	0	0	0	114.6	F198 Y199 A205	F198-S201 VanDerWaalsContact O-CB 3.31Å; F198-S201 WeakPolarHBondContact O-CB 3.34Å; F198-S201 PolarHBondContact O-N 2.9Å; F198-S201 PolarHBondContact O-OG 2.83Å; Y199-S201 PolarHBondContact O-N 3.09Å; S201-A205 WeakPolarHBondContact O-CB 3.18Å
202	F	93.2	Very high	90.5	Very high	18 Å²	18	23.6 Å²	23.6	8%	0.079	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-80.6	-18.4	172.9	-69.4	-74.8	0	0	0	114.1	V90 Y199 S200 V204 A205 V208	V90-F202 HydrophobicContact CG1-CB 4.12Å; V90-F202 HydrophobicContact CG2-CB 3.85Å; Y199-F202 HydrophobicContact CD1-CE2 4.42Å; Y199-F202 WeakPolarHBondContact O-CB 3.39Å; Y199-F202 WeakPolarHBondContact O-CD2 3.43Å; Y199-F202 PolarHBondContact O-N 3.22Å; S200-F202 PolarHBondContact O-N 3.45Å; S200-F202 VanDerWaalsContact O-N 3.07Å; F202-V204 PolarHBondContact O-N 3.24Å; F202-A205 VanDerWaalsContact CD1-O 3.3Å; F202-A205 WeakPolarHBondContact CD1-O 3.39Å; F202-A205 PolarHBondContact O-N 3.11Å; F202-V208 HydrophobicContact CD1-CG2 4Å; F202-V208 HydrophobicContact CE1-CB 4.17Å; F202-V208 HydrophobicContact CE1-CG2 3.62Å; F202-V208 HydrophobicContact CE2-CG2 4.23Å; F202-V208 HydrophobicContact CG-CG2 4.44Å; F202-V208 HydrophobicContact CZ-CB 4Å; F202-V208 HydrophobicContact CZ-CG2 3.75Å
203	L	91.7	Very high	91.3	Very high	24 Å²	24	23.3 Å²	23.3	13%	0.126	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-33.4	172.7	-76.5	161.3	0	0	0	112.7	V90 Y94 K97 I99 S200	V90-L203 WeakPolarHBondContact O-CD2 3.46Å; Y94-L203 HydrophobicContact CD2-CD1 4.17Å; Y94-L203 HydrophobicContact CG-CD1 4.47Å; K97-L203 HydrophobicContact CG-CD2 4.45Å; I99-L203 HydrophobicContact CD1-CD1 4.02Å; I99-L203 HydrophobicContact CG1-CD1 4.22Å; S200-L203 WeakPolarHBondContact O-CB 3.44Å; S200-L203 WeakPolarHBondContact O-CD1 3.41Å; S200-L203 WeakPolarHBondContact O-CG 3.46Å; S200-L203 PolarHBondContact O-N 3.12Å
204	V	93.7	Very high	91.9	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.012	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-1.4	-173.9	-62.9	0	0	0	0	113.3	F100 F202 L248 L250 T251 A254 Y257	F100-V204 HydrophobicContact CB-CG2 4.27Å; F100-V204 HydrophobicContact CD1-CB 4.41Å; F100-V204 HydrophobicContact CD1-CG1 3.78Å; F100-V204 HydrophobicContact CD1-CG2 3.75Å; F100-V204 HydrophobicContact CD2-CG2 3.65Å; F100-V204 HydrophobicContact CE1-CG1 4.03Å; F100-V204 HydrophobicContact CE1-CG2 3.97Å; F100-V204 HydrophobicContact CE2-CG2 3.9Å; F100-V204 HydrophobicContact CG-CG1 4.35Å; F100-V204 HydrophobicContact CG-CG2 3.58Å; F100-V204 HydrophobicContact CZ-CG2 4.04Å; F202-V204 PolarHBondContact O-N 3.24Å; V204-L248 HydrophobicContact CG2-CD1 4.48Å; V204-L250 HydrophobicContact CB-CD2 4.12Å; V204-L250 HydrophobicContact CG2-CD2 3.89Å; V204-L250 CarbonylContact O-C 2.91Å; V204-L250 WeakPolarHBondContact O-CA 3.25Å; V204-L250 VanDerWaalsContact O-CD2 3.29Å; V204-L250 WeakPolarHBondContact O-CD2 3.26Å; V204-T251 PolarHBondContact O-N 3.34Å; V204-A254 HydrophobicContact CB-CB 3.82Å; V204-A254 HydrophobicContact CG1-CB 4.24Å; V204-A254 WeakPolarHBondContact O-CB 3.47Å; V204-Y257 HydrophobicContact CG1-CD2 4.19Å; V204-Y257 HydrophobicContact CG1-CE2 3.8Å
205	A	94.1	Very high	92.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.096	C	C	.	.			trans	-147.4	114.6	-169.7	0	0	0	0	0	114.9	S201 F202 K207 L248 Y249 L250	S201-A205 WeakPolarHBondContact O-CB 3.18Å; F202-A205 VanDerWaalsContact CD1-O 3.3Å; F202-A205 WeakPolarHBondContact CD1-O 3.39Å; F202-A205 PolarHBondContact O-N 3.11Å; A205-K207 PolarHBondContact O-N 3.31Å; A205-L248 HydrophobicContact CB-CB 3.98Å; A205-Y249 CarbonylContact C-O 3.57Å; A205-Y249 VanDerWaalsContact CA-O 3.27Å; A205-Y249 WeakPolarHBondContact CA-O 3.22Å; A205-Y249 WeakPolarHBondContact CB-O 3.15Å; A205-L250 HydrophobicContact CB-CD2 4.32Å
206	N	91.3	Very high	92.3	Very high	114 Å²	114	23.2 Å²	23.2	61%	0.61	12%	0.121	S	C	*	.	S	Bend	trans	-61.5	-11.4	174.1	-71.9	-21.5	0	0	0	114.6	Y249	N206-Y249 PolarHBondContact N-O 2.86Å
207	K	94	Very high	92.4	Very high	69 Å²	69	24.5 Å²	24.5	30%	0.3	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	134.7	179.5	177.7	172.9	-173.9	164.4	0	111.8	A205 E223 S224 Y249	A205-K207 PolarHBondContact O-N 3.31Å; K207-E223 VanDerWaalsContact CE-OE1 3.22Å; K207-E223 WeakPolarHBondContact CE-OE1 3.42Å; K207-E223 IonicContact NZ-OE1 2.55Å; K207-E223 PolarHBondContact NZ-OE1 3.13Å; K207-S224 WeakPolarHBondContact CA-O 3.45Å; K207-S224 WeakPolarHBondContact CG-O 3.49Å; K207-Y249 HydrophobicContact CB-CD2 4.16Å; K207-Y249 HydrophobicContact CB-CG 4.4Å; K207-Y249 HydrophobicContact CD-CD2 4.19Å; K207-Y249 HydrophobicContact CD-CE2 4.43Å; K207-Y249 HydrophobicContact CG-CD2 3.95Å; K207-Y249 HydrophobicContact CG-CE2 4.47Å; K207-Y249 PolarHBondContact O-N 3.42Å
208	V	96.3	Very high	92.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.6	179.2	-178.6	0	0	0	0	109.4	F198 F202 V210 W222 S224 I246 L248	F198-V208 HydrophobicContact CE2-CG1 4.26Å; F198-V208 HydrophobicContact CZ-CG1 3.87Å; F202-V208 HydrophobicContact CD1-CG2 4Å; F202-V208 HydrophobicContact CE1-CB 4.17Å; F202-V208 HydrophobicContact CE1-CG2 3.62Å; F202-V208 HydrophobicContact CE2-CG2 4.23Å; F202-V208 HydrophobicContact CG-CG2 4.44Å; F202-V208 HydrophobicContact CZ-CB 4Å; F202-V208 HydrophobicContact CZ-CG2 3.75Å; V208-V210 HydrophobicContact CG1-CG2 4.04Å; V208-W222 HydrophobicContact CB-CZ3 4.32Å; V208-W222 HydrophobicContact CG1-CZ3 4.17Å; V208-S224 PolarHBondContact N-O 2.73Å; V208-S224 PolarHBondContact O-N 2.87Å; V208-I246 HydrophobicContact CG1-CG2 4.27Å; V208-L248 HydrophobicContact CB-CD2 4.49Å; V208-L248 HydrophobicContact CG1-CD2 4.04Å; V208-L248 HydrophobicContact CG2-CD2 3.9Å
209	L	95.5	Very high	92.7	Very high	20 Å²	20	27.2 Å²	27.2	11%	0.105	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	110.9	-178.8	-167.9	161.8	0	0	0	109.4	V211 I221 W222 E223 V247 Y249	L209-V211 HydrophobicContact CD2-CG2 3.55Å; L209-I221 HydrophobicContact CD2-CG2 3.61Å; L209-I221 HydrophobicContact CG-CG2 3.92Å; L209-W222 CarbonylContact C-O 3.59Å; L209-W222 WeakPolarHBondContact CA-O 3.15Å; L209-E223 HydrophobicContact CD1-CG 4.14Å; L209-E223 HydrophobicContact CG-CB 4.35Å; L209-E223 HydrophobicContact CG-CG 4.26Å; L209-V247 HydrophobicContact CB-CB 4.44Å; L209-V247 PolarHBondContact N-O 3.07Å; L209-V247 PolarHBondContact O-N 2.98Å; L209-Y249 HydrophobicContact CB-CE2 4.15Å; L209-Y249 HydrophobicContact CD1-CE2 4.34Å
210	V	96.5	Very high	92.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	111.8	-173.7	-178.8	0	0	0	0	109.3	M154 L159 L163 F198 V208 I221 W222 T244 I246	M154-V210 HydrophobicContact CE-CG1 4.28Å; L159-V210 HydrophobicContact CD2-CG1 4.26Å; L163-V210 HydrophobicContact CD1-CB 4.34Å; L163-V210 HydrophobicContact CD1-CG1 4.04Å; L163-V210 HydrophobicContact CD1-CG2 4.25Å; F198-V210 HydrophobicContact CE2-CG2 3.85Å; F198-V210 HydrophobicContact CZ-CG2 3.69Å; V208-V210 HydrophobicContact CG1-CG2 4.04Å; V210-I221 WeakPolarHBondContact O-CA 3.41Å; V210-W222 HydrophobicContact CB-CB 4.32Å; V210-W222 HydrophobicContact CB-CE3 4.11Å; V210-W222 HydrophobicContact CG2-CE3 3.78Å; V210-W222 HydrophobicContact CG2-CZ3 4.1Å; V210-W222 PolarHBondContact N-O 2.98Å; V210-W222 PolarHBondContact O-N 3.33Å; V210-T244 HydrophobicContact CG1-CG2 3.42Å; V210-T244 VanDerWaalsContact CG1-CG2 3.42Å; V210-I246 HydrophobicContact CG1-CG1 4.33Å; V210-I246 HydrophobicContact CG2-CG1 4.29Å; V210-I246 HydrophobicContact CG2-CG2 4.44Å
211	V	95.6	Very high	93	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	111.4	176.2	-172	0	0	0	0	107.8	L209 Q219 H220 I221 L240 T244 E245	L209-V211 HydrophobicContact CD2-CG2 3.55Å; V211-Q219 HydrophobicContact CG1-CG 3.88Å; V211-H220 CarbonylContact C-O 3.25Å; V211-H220 WeakPolarHBondContact CA-O 3.39Å; V211-I221 HydrophobicContact CG1-CG1 4.28Å; V211-I221 HydrophobicContact CG2-CG1 4.24Å; V211-L240 HydrophobicContact CB-CD1 4.29Å; V211-L240 HydrophobicContact CG1-CD1 3.96Å; V211-L240 WeakPolarHBondContact O-CD1 3.24Å; V211-T244 CarbonylContact O-C 3.48Å; V211-T244 VanDerWaalsContact O-CA 3.27Å; V211-T244 WeakPolarHBondContact O-CA 3.33Å; V211-T244 VanDerWaalsContact O-CG2 3.27Å; V211-T244 WeakPolarHBondContact O-CG2 3.41Å; V211-E245 HydrophobicContact CB-CB 4.28Å; V211-E245 PolarHBondContact N-O 2.92Å; V211-E245 PolarHBondContact O-N 3.22Å
212	S	95.8	Very high	93.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	152.2	-177.7	-152.9	0	0	0	0	113.3	M154 Q219 H220 T244	M154-S212 PolarHBondContact N-OG 3.16Å; S212-Q219 WeakPolarHBondContact O-CA 3.25Å; S212-H220 PolarHBondContact N-O 3.28Å; S212-H220 PolarHBondContact O-N 3.09Å; S212-T244 PolarHBondContact OG-OG1 2.96Å
213	K	93.9	Very high	93.2	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.035	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	98.4	179.6	172.6	57.8	-175.9	63.5	0	109.8	D217 Q219 N238 L240 K241 R242 G243	K213-D217 WeakPolarHBondContact CD-O 3.3Å; K213-D217 WeakPolarHBondContact CE-O 3.43Å; K213-D217 PolarHBondContact NZ-O 3.02Å; K213-Q219 HydrophobicContact CB-CB 4.25Å; K213-Q219 HydrophobicContact CB-CG 4.32Å; K213-Q219 HydrophobicContact CD-CB 4.27Å; K213-N238 WeakPolarHBondContact CE-ND2 3.5Å; K213-L240 HydrophobicContact CB-CB 4.15Å; K213-K241 WeakPolarHBondContact CG-O 3.34Å; K213-K241 PolarHBondContact NZ-O 2.92Å; K213-R242 WeakPolarHBondContact O-CA 3.36Å; K213-G243 PolarHBondContact N-O 2.69Å; K213-G243 PolarHBondContact O-N 3.09Å; K213-G243 VanDerWaalsContact O-N 3.15Å
214	S	91.3	Very high	93.3	Very high	4 Å²	4	28 Å²	28	3%	0.028	15%	0.145	C	C	.	.			trans	-74.9	149	164.7	-178.6	0	0	0	0	111.3	I152 M154 N216 D217	I152-S214 WeakPolarHBondContact O-CA 3.25Å; M154-S214 PolarHBondContact O-N 3.06Å; S214-N216 PolarHBondContact O-N 3.26Å; S214-N216 VanDerWaalsContact O-N 3.12Å; S214-D217 PolarHBondContact O-N 3.45Å
215	D	86.4	Confident	93.1	Very high	48 Å²	48	31.3 Å²	31.3	26%	0.257	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.3	177.1	-75.8	-30.7	0	0	0	113.5	R242	D215-R242 WeakPolarHBondContact OD1-CD 3.47Å; D215-R242 VanDerWaalsContact OD1-CG 3.32Å; D215-R242 WeakPolarHBondContact OD1-CG 3.03Å; D215-R242 WeakPolarHBondContact OD2-CD 3.41Å
216	N	85.9	Confident	92.7	Very high	135 Å²	135	33.5 Å²	33.5	72%	0.722	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-7.1	-176.8	-64.4	-57.8	0	0	0	115.3	S214	S214-N216 PolarHBondContact O-N 3.26Å; S214-N216 VanDerWaalsContact O-N 3.12Å
217	D	89.4	Confident	92.4	Very high	39 Å²	39	32 Å²	32	21%	0.209	17%	0.173	C	C	.	.	S	Bend	trans	-137.1	175.7	-173.9	-163.6	-2.5	0	0	0	111.7	T155 E156 K213 S214 H220 K233	T155-D217 HydrophobicContact CG2-CB 3.97Å; E156-D217 PolarHBondContact N-OD2 3.18Å; K213-D217 WeakPolarHBondContact CD-O 3.3Å; K213-D217 WeakPolarHBondContact CE-O 3.43Å; K213-D217 PolarHBondContact NZ-O 3.02Å; S214-D217 PolarHBondContact O-N 3.45Å; D217-H220 IonicContact OD1-CD2 3.43Å; D217-H220 IonicContact OD1-NE2 2.81Å; D217-H220 PolarHBondContact OD1-NE2 2.88Å; D217-H220 IonicContact OD2-CD2 2.71Å; D217-H220 PolarHBondContact OD2-CD2 3.11Å; D217-H220 IonicContact OD2-NE2 3.26Å; D217-H220 PolarHBondContact OD2-NE2 3.21Å; D217-K233 IonicContact OD1-NZ 2.86Å; D217-K233 PolarHBondContact OD1-NZ 3.29Å
218	D	90.9	Very high	92.1	Very high	81 Å²	81	31.7 Å²	31.7	43%	0.433	18%	0.18	S	C	.	.			trans	-71.8	176.1	166.8	-61	-54.1	0	0	0	111.2	H220 K233	D218-H220 PolarHBondContact O-CD2 3.42Å; D218-K233 IonicContact OD2-NZ 3.05Å; D218-K233 PolarHBondContact OD2-NZ 3.11Å
219	Q	94.3	Very high	91.9	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.009	20%	0.197	C	C	.	.			trans	-78.3	128.6	169.5	-175.2	170.7	-46.3	0	0	111.5	V211 S212 K213 D234 N238 L240	V211-Q219 HydrophobicContact CG1-CG 3.88Å; S212-Q219 WeakPolarHBondContact O-CA 3.25Å; K213-Q219 HydrophobicContact CB-CB 4.25Å; K213-Q219 HydrophobicContact CB-CG 4.32Å; K213-Q219 HydrophobicContact CD-CB 4.27Å; Q219-D234 HydrophobicContact CB-CB 4.24Å; Q219-D234 HydrophobicContact CG-CB 3.9Å; Q219-D234 PolarHBondContact NE2-OD2 2.82Å; Q219-D234 PolarHBondContact O-N 2.85Å; Q219-N238 PolarHBondContact N-OD1 3Å; Q219-L240 PolarHBondContact OE1-O 3.02Å
220	H	95.1	Very high	91.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	158.1	177.7	-71	-97.2	0	0	0	111.6	E156 L159 V211 S212 D217 D218 K233	E156-H220 IonicContact OE2-CE1 2.73Å; E156-H220 PolarHBondContact OE2-CE1 3.31Å; E156-H220 IonicContact OE2-NE2 2.85Å; L159-H220 HydrophobicContact CD1-CB 3.7Å; V211-H220 CarbonylContact C-O 3.25Å; V211-H220 WeakPolarHBondContact CA-O 3.39Å; S212-H220 PolarHBondContact N-O 3.28Å; S212-H220 PolarHBondContact O-N 3.09Å; D217-H220 IonicContact OD1-CD2 3.43Å; D217-H220 IonicContact OD1-NE2 2.81Å; D217-H220 PolarHBondContact OD1-NE2 2.88Å; D217-H220 IonicContact OD2-CD2 2.71Å; D217-H220 PolarHBondContact OD2-CD2 3.11Å; D217-H220 IonicContact OD2-NE2 3.26Å; D217-H220 PolarHBondContact OD2-NE2 3.21Å; D218-H220 PolarHBondContact O-CD2 3.42Å; H220-K233 VanDerWaalsContact CE1-CE 3.49Å; H220-K233 WeakPolarHBondContact CE1-CE 3.32Å; H220-K233 WeakPolarHBondContact CE1-CG 3.47Å; H220-K233 PolarHBondContact CE1-NZ 2.87Å; H220-K233 VanDerWaalsContact CE1-NZ 3.29Å; H220-K233 WeakPolarHBondContact ND1-CG 3.45Å; H220-K233 PolarHBondContact NE2-NZ 2.83Å
221	I	95.5	Very high	91.8	Very high	9 Å²	9	40.4 Å²	40.4	5%	0.046	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.2	172.8	-59.3	179.8	0	0	0	107.3	L209 V210 V211 E223 V231 Y232 D234	L209-I221 HydrophobicContact CD2-CG2 3.61Å; L209-I221 HydrophobicContact CG-CG2 3.92Å; V210-I221 WeakPolarHBondContact O-CA 3.41Å; V211-I221 HydrophobicContact CG1-CG1 4.28Å; V211-I221 HydrophobicContact CG2-CG1 4.24Å; I221-E223 HydrophobicContact CG2-CB 4.5Å; I221-V231 CarbonylContact O-C 3.37Å; I221-V231 WeakPolarHBondContact O-CA 3.46Å; I221-Y232 HydrophobicContact CB-CD1 4.42Å; I221-Y232 HydrophobicContact CB-CD2 4.24Å; I221-Y232 HydrophobicContact CB-CE1 4.13Å; I221-Y232 HydrophobicContact CB-CE2 3.95Å; I221-Y232 HydrophobicContact CB-CG 4.49Å; I221-Y232 HydrophobicContact CD1-CD2 4.47Å; I221-Y232 HydrophobicContact CD1-CE2 3.75Å; I221-Y232 HydrophobicContact CG1-CE2 4.33Å; I221-Y232 HydrophobicContact CG2-CE1 3.84Å; I221-Y232 HydrophobicContact CG2-CE2 4.2Å; I221-Y232 PolarHBondContact N-O 3.48Å; I221-Y232 PolarHBondContact O-N 3.01Å; I221-D234 HydrophobicContact CD1-CB 4.1Å; I221-D234 HydrophobicContact CG1-CB 4.04Å
222	W	96	Very high	91.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	136.2	163.2	176.5	110.9	0	0	0	107.2	L159 L163 F198 V208 L209 V210 F229 V230 V231	L159-W222 HydrophobicContact CD2-CB 4.22Å; L163-W222 HydrophobicContact CB-CD2 4.47Å; L163-W222 HydrophobicContact CB-CZ2 4Å; L163-W222 HydrophobicContact CD1-CD2 4.34Å; L163-W222 HydrophobicContact CD1-CG 4.45Å; L163-W222 VanDerWaalsContact O-CZ2 3.27Å; L163-W222 WeakPolarHBondContact O-CZ2 3.47Å; F198-W222 AromaticContact CE1-CH2 3.61Å; F198-W222 HydrophobicContact CE1-CH2 3.61Å; F198-W222 HydrophobicContact CE1-CZ2 4.26Å; F198-W222 AromaticContact CE1-CZ3 3.99Å; F198-W222 HydrophobicContact CE1-CZ3 3.99Å; F198-W222 AromaticContact CZ-CH2 3.91Å; F198-W222 HydrophobicContact CZ-CH2 3.91Å; F198-W222 AromaticContact CZ-CZ3 3.78Å; F198-W222 HydrophobicContact CZ-CZ3 3.78Å; V208-W222 HydrophobicContact CB-CZ3 4.32Å; V208-W222 HydrophobicContact CG1-CZ3 4.17Å; L209-W222 CarbonylContact C-O 3.59Å; L209-W222 WeakPolarHBondContact CA-O 3.15Å; V210-W222 HydrophobicContact CB-CB 4.32Å; V210-W222 HydrophobicContact CB-CE3 4.11Å; V210-W222 HydrophobicContact CG2-CE3 3.78Å; V210-W222 HydrophobicContact CG2-CZ3 4.1Å; V210-W222 PolarHBondContact N-O 2.98Å; V210-W222 PolarHBondContact O-N 3.33Å; W222-F229 AromaticContact CD1-CD2 3.82Å; W222-F229 HydrophobicContact CD2-CB 4.38Å; W222-F229 HydrophobicContact CZ2-CB 3.75Å; W222-F229 HydrophobicContact CZ2-CG 4.25Å; W222-F229 AromaticContact NE1-CD2 3.35Å; W222-F229 AromaticContact NE1-CG 3.53Å; W222-V230 CarbonylContact C-O 2.76Å; W222-V230 WeakPolarHBondContact CA-O 3.32Å; W222-V231 HydrophobicContact CB-CG2 4.34Å; W222-V231 HydrophobicContact CG-CG2 4.31Å
223	E	95.1	Very high	91.5	Very high	48 Å²	48	49 Å²	49	22%	0.224	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	123.7	-172.2	-176.1	178	157	0	0	109.3	K207 L209 I221 F229 V230 Y232	K207-E223 VanDerWaalsContact CE-OE1 3.22Å; K207-E223 WeakPolarHBondContact CE-OE1 3.42Å; K207-E223 IonicContact NZ-OE1 2.55Å; K207-E223 PolarHBondContact NZ-OE1 3.13Å; L209-E223 HydrophobicContact CD1-CG 4.14Å; L209-E223 HydrophobicContact CG-CB 4.35Å; L209-E223 HydrophobicContact CG-CG 4.26Å; I221-E223 HydrophobicContact CG2-CB 4.5Å; E223-F229 CarbonylContact O-C 3.2Å; E223-F229 VanDerWaalsContact O-CA 3.3Å; E223-F229 WeakPolarHBondContact O-CA 3.29Å; E223-V230 PolarHBondContact N-O 2.97Å; E223-V230 PolarHBondContact O-N 2.89Å; E223-Y232 HydrophobicContact CB-CE1 4.23Å; E223-Y232 WeakPolarHBondContact OE2-CE1 3.07Å; E223-Y232 PolarHBondContact OE2-OH 2.63Å
224	S	93.6	Very high	91.5	Very high	7 Å²	7	49.1 Å²	49.1	5%	0.049	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155	-172	179.2	0	0	0	0	114.2	K207 V208 S226 S228	K207-S224 WeakPolarHBondContact CA-O 3.45Å; K207-S224 WeakPolarHBondContact CG-O 3.49Å; V208-S224 PolarHBondContact N-O 2.73Å; V208-S224 PolarHBondContact O-N 2.87Å; S224-S226 PolarHBondContact OG-N 3.27Å; S224-S228 VanDerWaalsContact CA-O 3.23Å; S224-S228 WeakPolarHBondContact CA-O 3.28Å; S224-S228 WeakPolarHBondContact CB-O 3.38Å; S224-S228 PolarHBondContact OG-O 2.92Å
225	N	88.9	Confident	91.4	Very high	71 Å²	71	54.5 Å²	54.5	38%	0.38	30%	0.298	S	S	.	.			trans	-124.9	32.8	177.9	74.6	-75.7	0	0	0	112.4	T227 S228	N225-T227 PolarHBondContact ND2-OG1 3.29Å; N225-T227 PolarHBondContact O-N 3.4Å; N225-T227 PolarHBondContact O-OG1 2.66Å; N225-S228 PolarHBondContact N-O 2.93Å; N225-S228 PolarHBondContact OD1-N 2.98Å; N225-S228 PolarHBondContact OD1-O 2.98Å; N225-S228 PolarHBondContact OD1-OG 3Å
226	S	84.4	Confident	91.5	Very high	46 Å²	46	58.7 Å²	58.7	32%	0.322	31%	0.31	S	S	.	.	S	Bend	trans	65.3	-56.1	-164.5	81.1	0	0	0	0	114.4	S224 S228	S224-S226 PolarHBondContact OG-N 3.27Å; S226-S228 VanDerWaalsContact C-N 3.33Å; S226-S228 PolarHBondContact O-N 3.47Å
227	T	85.1	Confident	91.6	Very high	83 Å²	83	53.7 Å²	53.7	51%	0.509	29%	0.291	S	S	.	.	S	Bend	trans	-67.9	-23.5	-177.5	0.1	0	0	0	0	114.8	D83 N225	D83-T227 WeakPolarHBondContact OD1-CG2 3.49Å; N225-T227 PolarHBondContact ND2-OG1 3.29Å; N225-T227 PolarHBondContact O-N 3.4Å; N225-T227 PolarHBondContact O-OG1 2.66Å
228	S	88.3	Confident	91.4	Very high	62 Å²	62	56.2 Å²	56.2	43%	0.434	30%	0.304	S	S	.	.			trans	-157.6	152.6	-177.4	76.7	0	0	0	0	112.3	S224 N225 S226	S224-S228 VanDerWaalsContact CA-O 3.23Å; S224-S228 WeakPolarHBondContact CA-O 3.28Å; S224-S228 WeakPolarHBondContact CB-O 3.38Å; S224-S228 PolarHBondContact OG-O 2.92Å; N225-S228 PolarHBondContact N-O 2.93Å; N225-S228 PolarHBondContact OD1-N 2.98Å; N225-S228 PolarHBondContact OD1-O 2.98Å; N225-S228 PolarHBondContact OD1-OG 3Å; S226-S228 VanDerWaalsContact C-N 3.33Å; S226-S228 PolarHBondContact O-N 3.47Å
229	F	92.8	Very high	91.2	Very high	83 Å²	83	56.4 Å²	56.4	36%	0.364	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	151.8	176.1	68.3	-91.8	0	0	0	113.1	T160 G164 W222 E223 V231	T160-F229 HydrophobicContact CG2-CE2 4.46Å; G164-F229 VanDerWaalsContact CA-CE1 3.45Å; W222-F229 AromaticContact CD1-CD2 3.82Å; W222-F229 HydrophobicContact CD2-CB 4.38Å; W222-F229 HydrophobicContact CZ2-CB 3.75Å; W222-F229 HydrophobicContact CZ2-CG 4.25Å; W222-F229 AromaticContact NE1-CD2 3.35Å; W222-F229 AromaticContact NE1-CG 3.53Å; E223-F229 CarbonylContact O-C 3.2Å; E223-F229 VanDerWaalsContact O-CA 3.3Å; E223-F229 WeakPolarHBondContact O-CA 3.29Å; F229-V231 HydrophobicContact CD2-CG2 4.21Å; F229-V231 HydrophobicContact CE2-CG2 4.44Å
230	V	94.6	Very high	90.8	Very high	84 Å²	84	57.6 Å²	57.6	51%	0.509	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.5	179	-172.8	0	0	0	0	110	W222 E223 Y232	W222-V230 CarbonylContact C-O 2.76Å; W222-V230 WeakPolarHBondContact CA-O 3.32Å; E223-V230 PolarHBondContact N-O 2.97Å; E223-V230 PolarHBondContact O-N 2.89Å; V230-Y232 HydrophobicContact CG1-CD1 4.24Å
231	V	94.1	Very high	90.4	Very high	36 Å²	36	63 Å²	63	22%	0.218	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.7	176.8	-173.8	0	0	0	0	110.9	E156 I221 W222 F229	E156-V231 HydrophobicContact CG-CG1 4.16Å; I221-V231 CarbonylContact O-C 3.37Å; I221-V231 WeakPolarHBondContact O-CA 3.46Å; W222-V231 HydrophobicContact CB-CG2 4.34Å; W222-V231 HydrophobicContact CG-CG2 4.31Å; F229-V231 HydrophobicContact CD2-CG2 4.21Å; F229-V231 HydrophobicContact CE2-CG2 4.44Å
232	Y	93.8	Very high	90.2	Very high	85 Å²	85	62.9 Å²	62.9	33%	0.333	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	151.8	177.9	58.8	-83.1	0	0	0	113.5	I221 E223 V230	I221-Y232 HydrophobicContact CB-CD1 4.42Å; I221-Y232 HydrophobicContact CB-CD2 4.24Å; I221-Y232 HydrophobicContact CB-CE1 4.13Å; I221-Y232 HydrophobicContact CB-CE2 3.95Å; I221-Y232 HydrophobicContact CB-CG 4.49Å; I221-Y232 HydrophobicContact CD1-CD2 4.47Å; I221-Y232 HydrophobicContact CD1-CE2 3.75Å; I221-Y232 HydrophobicContact CG1-CE2 4.33Å; I221-Y232 HydrophobicContact CG2-CE1 3.84Å; I221-Y232 HydrophobicContact CG2-CE2 4.2Å; I221-Y232 PolarHBondContact N-O 3.48Å; I221-Y232 PolarHBondContact O-N 3.01Å; E223-Y232 HydrophobicContact CB-CE1 4.23Å; E223-Y232 WeakPolarHBondContact OE2-CE1 3.07Å; E223-Y232 PolarHBondContact OE2-OH 2.63Å; V230-Y232 HydrophobicContact CG1-CD1 4.24Å
233	K	93	Very high	90	Very high	95 Å²	95	62.9 Å²	62.9	41%	0.413	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	137.3	175.8	-74.8	-178.7	-177.2	-77.6	0	111.8	D217 D218 H220	D217-K233 IonicContact OD1-NZ 2.86Å; D217-K233 PolarHBondContact OD1-NZ 3.29Å; D218-K233 IonicContact OD2-NZ 3.05Å; D218-K233 PolarHBondContact OD2-NZ 3.11Å; H220-K233 VanDerWaalsContact CE1-CE 3.49Å; H220-K233 WeakPolarHBondContact CE1-CE 3.32Å; H220-K233 WeakPolarHBondContact CE1-CG 3.47Å; H220-K233 PolarHBondContact CE1-NZ 2.87Å; H220-K233 VanDerWaalsContact CE1-NZ 3.29Å; H220-K233 WeakPolarHBondContact ND1-CG 3.45Å; H220-K233 PolarHBondContact NE2-NZ 2.83Å
234	D	92.8	Very high	90.1	Very high	11 Å²	11	60.9 Å²	60.9	6%	0.059	33%	0.329	C	S	.	.			trans	-68.6	122.9	-173.8	-167	-39.8	0	0	0	112.1	Q219 I221 R236 G237	Q219-D234 HydrophobicContact CB-CB 4.24Å; Q219-D234 HydrophobicContact CG-CB 3.9Å; Q219-D234 PolarHBondContact NE2-OD2 2.82Å; Q219-D234 PolarHBondContact O-N 2.85Å; I221-D234 HydrophobicContact CD1-CB 4.1Å; I221-D234 HydrophobicContact CG1-CB 4.04Å; D234-R236 PolarHBondContact O-N 3.49Å; D234-R236 VanDerWaalsContact O-N 3.17Å; D234-R236 WeakPolarHBondContact OD1-CA 3.41Å; D234-R236 WeakPolarHBondContact OD1-CB 3.44Å; D234-R236 WeakPolarHBondContact OD1-CG 3.29Å; D234-R236 PolarHBondContact OD1-N 2.97Å; D234-R236 IonicContact OD1-NE 3.51Å; D234-R236 PolarHBondContact OD1-NE 3.03Å; D234-R236 IonicContact OD2-CZ 2.73Å; D234-R236 IonicContact OD2-NE 3.3Å; D234-R236 PolarHBondContact OD2-NE 3.24Å; D234-R236 IonicContact OD2-NH2 2.95Å; D234-R236 PolarHBondContact OD2-NH2 2.92Å; D234-G237 PolarHBondContact O-N 3.46Å
235	P	89.8	Confident	90.2	Very high	118 Å²	118	61.9 Å²	61.9	77%	0.766	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.7	179.3	28.8	-36.6	0	0	0	114.3	G237	P235-G237 VanDerWaalsContact C-N 3.32Å
236	R	88.4	Confident	90.5	Very high	135 Å²	135	59.5 Å²	59.5	51%	0.509	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-21.6	171.5	-55.2	173.5	-75.8	-175.9	-1.3	111.8	D234 T239	D234-R236 PolarHBondContact O-N 3.49Å; D234-R236 VanDerWaalsContact O-N 3.17Å; D234-R236 WeakPolarHBondContact OD1-CA 3.41Å; D234-R236 WeakPolarHBondContact OD1-CB 3.44Å; D234-R236 WeakPolarHBondContact OD1-CG 3.29Å; D234-R236 PolarHBondContact OD1-N 2.97Å; D234-R236 IonicContact OD1-NE 3.51Å; D234-R236 PolarHBondContact OD1-NE 3.03Å; D234-R236 IonicContact OD2-CZ 2.73Å; D234-R236 IonicContact OD2-NE 3.3Å; D234-R236 PolarHBondContact OD2-NE 3.24Å; D234-R236 IonicContact OD2-NH2 2.95Å; D234-R236 PolarHBondContact OD2-NH2 2.92Å; R236-T239 VanDerWaalsContact CB-OG1 3.29Å; R236-T239 WeakPolarHBondContact CB-OG1 3.15Å
237	G	86.9	Confident	91.1	Very high	30 Å²	30	57.8 Å²	57.8	31%	0.309	31%	0.307	S	S	.	.			trans	71.4	-171.8	-164.7	0	0	0	0	0	112.1	D234 P235 T239	D234-G237 PolarHBondContact O-N 3.46Å; P235-G237 VanDerWaalsContact C-N 3.32Å; G237-T239 VanDerWaalsContact C-N 3.33Å; G237-T239 PolarHBondContact O-N 3.47Å; G237-T239 PolarHBondContact O-OG1 3.01Å
238	N	86.4	Confident	91.7	Very high	92 Å²	92	53.8 Å²	53.8	49%	0.492	28%	0.283	S	S	.	.	S	Bend	trans	-61.6	91.1	-177.2	-55.3	3.5	0	0	0	110.7	K213 Q219 L240	K213-N238 WeakPolarHBondContact CE-ND2 3.5Å; Q219-N238 PolarHBondContact N-OD1 3Å; N238-L240 CarbonylContact C-O 3.23Å; N238-L240 VanDerWaalsContact C-O 3.32Å
239	T	87.4	Confident	92	Very high	86 Å²	86	55.3 Å²	55.3	53%	0.528	28%	0.28	S	S	.	.			trans	-100.7	-41	-176.9	-55.6	0	0	0	0	109.1	R236 G237	R236-T239 VanDerWaalsContact CB-OG1 3.29Å; R236-T239 WeakPolarHBondContact CB-OG1 3.15Å; G237-T239 VanDerWaalsContact C-N 3.33Å; G237-T239 PolarHBondContact O-N 3.47Å; G237-T239 PolarHBondContact O-OG1 3.01Å
240	L	85.5	Confident	92.1	Very high	27 Å²	27	51.5 Å²	51.5	14%	0.141	26%	0.263	C	S	.	.	S	Bend	trans	-70.5	145.1	150.7	-52	179.1	0	0	0	107.9	V211 K213 Q219 N238 E245	V211-L240 HydrophobicContact CB-CD1 4.29Å; V211-L240 HydrophobicContact CG1-CD1 3.96Å; V211-L240 WeakPolarHBondContact O-CD1 3.24Å; K213-L240 HydrophobicContact CB-CB 4.15Å; Q219-L240 PolarHBondContact OE1-O 3.02Å; N238-L240 CarbonylContact C-O 3.23Å; N238-L240 VanDerWaalsContact C-O 3.32Å; L240-E245 HydrophobicContact CD1-CB 4.12Å; L240-E245 HydrophobicContact CD2-CB 4.14Å
241	K	86.1	Confident	92	Very high	112 Å²	112	48 Å²	48	49%	0.487	24%	0.242	S	C	.	.	S	Bend	trans	-83.5	-51.4	171.5	-56.2	-179.5	-174.2	169.9	0	110.8	E128 K213	E128-K241 HydrophobicContact CB-CB 4.28Å; E128-K241 HydrophobicContact CB-CD 4.36Å; E128-K241 WeakPolarHBondContact O-CD 3.37Å; E128-K241 WeakPolarHBondContact O-CE 3.31Å; E128-K241 PolarHBondContact O-NZ 3.13Å; K213-K241 WeakPolarHBondContact CG-O 3.34Å; K213-K241 PolarHBondContact NZ-O 2.92Å
242	R	90.6	Very high	91.7	Very high	8 Å²	8	52.9 Å²	52.9	3%	0.03	26%	0.263	C	S	.	.	S	Bend	trans	-157	149.6	-176.5	-165.3	-168.7	64.8	-128.8	-8.7	107.7	M125 S129 T150 G151 K213 D215	M125-R242 PolarHBondContact O-NH1 3.44Å; S129-R242 PolarHBondContact O-NH1 3.03Å; S129-R242 PolarHBondContact O-NH2 2.69Å; T150-R242 PolarHBondContact O-NE 3.47Å; T150-R242 PolarHBondContact O-NH2 3.44Å; G151-R242 WeakPolarHBondContact O-CD 3.4Å; G151-R242 VanDerWaalsContact O-CG 3.28Å; G151-R242 WeakPolarHBondContact O-CG 3.46Å; G151-R242 PolarHBondContact O-NE 3.26Å; K213-R242 WeakPolarHBondContact O-CA 3.36Å; D215-R242 WeakPolarHBondContact OD1-CD 3.47Å; D215-R242 VanDerWaalsContact OD1-CG 3.32Å; D215-R242 WeakPolarHBondContact OD1-CG 3.03Å; D215-R242 WeakPolarHBondContact OD2-CD 3.41Å
243	G	93.6	Very high	91.5	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	95.2	-164.9	-175.5	0	0	0	0	0	113.2	K213	K213-G243 PolarHBondContact N-O 2.69Å; K213-G243 PolarHBondContact O-N 3.09Å; K213-G243 VanDerWaalsContact O-N 3.15Å
244	T	95.5	Very high	91.4	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.043	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.4	-172.5	-41.4	0	0	0	0	111.8	I148 D149 M154 V210 V211 S212 I246	I148-T244 WeakPolarHBondContact CA-O 3.13Å; D149-T244 PolarHBondContact N-O 2.58Å; D149-T244 VanDerWaalsContact OD1-CA 3.23Å; D149-T244 WeakPolarHBondContact OD1-CA 3.49Å; D149-T244 WeakPolarHBondContact OD1-CB 3.38Å; D149-T244 PolarHBondContact OD1-N 2.62Å; D149-T244 PolarHBondContact OD1-OG1 3.1Å; M154-T244 HydrophobicContact CE-CG2 4.36Å; V210-T244 HydrophobicContact CG1-CG2 3.42Å; V210-T244 VanDerWaalsContact CG1-CG2 3.42Å; V211-T244 CarbonylContact O-C 3.48Å; V211-T244 VanDerWaalsContact O-CA 3.27Å; V211-T244 WeakPolarHBondContact O-CA 3.33Å; V211-T244 VanDerWaalsContact O-CG2 3.27Å; V211-T244 WeakPolarHBondContact O-CG2 3.41Å; S212-T244 PolarHBondContact OG-OG1 2.96Å; T244-I246 HydrophobicContact CG2-CG1 4.09Å
245	E	95.7	Very high	91.2	Very high	28 Å²	28	53.8 Å²	53.8	13%	0.131	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	112.1	163.6	165.7	176.2	-144	0	0	107.3	H146 I147 I148 V211 L240 V247	H146-E245 IonicContact CE1-OE1 2.63Å; H146-E245 IonicContact CG-OE1 3.23Å; H146-E245 IonicContact ND1-OE1 3.4Å; H146-E245 PolarHBondContact ND1-OE1 3.45Å; I147-E245 WeakPolarHBondContact O-CA 3.28Å; I148-E245 HydrophobicContact CD1-CG 4.48Å; I148-E245 HydrophobicContact CG1-CB 4.12Å; I148-E245 HydrophobicContact CG1-CG 4.01Å; V211-E245 HydrophobicContact CB-CB 4.28Å; V211-E245 PolarHBondContact N-O 2.92Å; V211-E245 PolarHBondContact O-N 3.22Å; L240-E245 HydrophobicContact CD1-CB 4.12Å; L240-E245 HydrophobicContact CD2-CB 4.14Å; E245-V247 HydrophobicContact CG-CG2 3.8Å
246	I	96.7	Very high	91.3	Very high	20 Å²	20	52.4 Å²	52.4	10%	0.103	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.7	172	-58.1	179	0	0	0	107.4	L104 H146 I147 F198 V208 V210 T244 L248	L104-I246 HydrophobicContact CD2-CD1 3.85Å; H146-I246 WeakPolarHBondContact CA-O 3.41Å; I147-I246 PolarHBondContact N-O 3.18Å; I147-I246 PolarHBondContact O-N 3.17Å; F198-I246 HydrophobicContact CE2-CD1 4.41Å; V208-I246 HydrophobicContact CG1-CG2 4.27Å; V210-I246 HydrophobicContact CG1-CG1 4.33Å; V210-I246 HydrophobicContact CG2-CG1 4.29Å; V210-I246 HydrophobicContact CG2-CG2 4.44Å; T244-I246 HydrophobicContact CG2-CG1 4.09Å; I246-L248 HydrophobicContact CG2-CD2 3.9Å; I246-L248 HydrophobicContact CG2-CG 4.47Å
247	V	96.3	Very high	91.6	Very high	10 Å²	10	47.5 Å²	47.5	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	111.8	177.8	-170.6	0	0	0	0	108.7	T144 L145 L209 E245 Y249	T144-V247 HydrophobicContact CG2-CG1 4.02Å; L145-V247 WeakPolarHBondContact O-CA 3.37Å; L209-V247 HydrophobicContact CB-CB 4.44Å; L209-V247 PolarHBondContact N-O 3.07Å; L209-V247 PolarHBondContact O-N 2.98Å; E245-V247 HydrophobicContact CG-CG2 3.8Å; V247-Y249 HydrophobicContact CG1-CE2 4.23Å
248	L	96.7	Very high	91.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.4	174.1	-52.1	-179.8	0	0	0	108.8	F100 L104 T144 L145 V204 A205 V208 I246 L250	F100-L248 HydrophobicContact CD2-CD1 3.72Å; F100-L248 HydrophobicContact CE2-CD1 3.49Å; F100-L248 VanDerWaalsContact CE2-CD1 3.49Å; L104-L248 HydrophobicContact CD1-CD1 3.93Å; L104-L248 HydrophobicContact CD1-CD2 4.3Å; T144-L248 WeakPolarHBondContact CA-O 3.34Å; T144-L248 WeakPolarHBondContact CB-O 3.26Å; L145-L248 HydrophobicContact CB-CB 4.39Å; L145-L248 HydrophobicContact CD2-CD1 4.43Å; L145-L248 PolarHBondContact N-O 3.37Å; L145-L248 PolarHBondContact O-N 3.48Å; V204-L248 HydrophobicContact CG2-CD1 4.48Å; A205-L248 HydrophobicContact CB-CB 3.98Å; V208-L248 HydrophobicContact CB-CD2 4.49Å; V208-L248 HydrophobicContact CG1-CD2 4.04Å; V208-L248 HydrophobicContact CG2-CD2 3.9Å; I246-L248 HydrophobicContact CG2-CD2 3.9Å; I246-L248 HydrophobicContact CG2-CG 4.47Å; L248-L250 HydrophobicContact CB-CD2 4.02Å; L248-L250 HydrophobicContact CD1-CD2 4.49Å
249	Y	95.4	Very high	92.1	Very high	93 Å²	93	44.8 Å²	44.8	37%	0.365	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	101.3	168.3	-68	-97.4	0	0	0	107.9	T144 A205 N206 K207 L209 V247	T144-Y249 HydrophobicContact CG2-CD1 3.55Å; T144-Y249 HydrophobicContact CG2-CE1 3.62Å; T144-Y249 HydrophobicContact CG2-CG 4.06Å; A205-Y249 CarbonylContact C-O 3.57Å; A205-Y249 VanDerWaalsContact CA-O 3.27Å; A205-Y249 WeakPolarHBondContact CA-O 3.22Å; A205-Y249 WeakPolarHBondContact CB-O 3.15Å; N206-Y249 PolarHBondContact N-O 2.86Å; K207-Y249 HydrophobicContact CB-CD2 4.16Å; K207-Y249 HydrophobicContact CB-CG 4.4Å; K207-Y249 HydrophobicContact CD-CD2 4.19Å; K207-Y249 HydrophobicContact CD-CE2 4.43Å; K207-Y249 HydrophobicContact CG-CD2 3.95Å; K207-Y249 HydrophobicContact CG-CE2 4.47Å; K207-Y249 PolarHBondContact O-N 3.42Å; L209-Y249 HydrophobicContact CB-CE2 4.15Å; L209-Y249 HydrophobicContact CD1-CE2 4.34Å; V247-Y249 HydrophobicContact CG1-CE2 4.23Å
250	L	94.7	Very high	92.2	Very high	3 Å²	3	42 Å²	42	2%	0.016	20%	0.2	C	C	.	.			trans	-72.3	157.1	-165.4	-58.2	172.3	0	0	0	112.7	R143 L145 V204 A205 L248 A254 L258	R143-L250 HydrophobicContact CG-CB 4.38Å; R143-L250 PolarHBondContact NE-O 2.82Å; R143-L250 PolarHBondContact NH2-O 2.84Å; R143-L250 PolarHBondContact O-N 2.86Å; L145-L250 HydrophobicContact CB-CD1 4.21Å; V204-L250 HydrophobicContact CB-CD2 4.12Å; V204-L250 HydrophobicContact CG2-CD2 3.89Å; V204-L250 CarbonylContact O-C 2.91Å; V204-L250 WeakPolarHBondContact O-CA 3.25Å; V204-L250 VanDerWaalsContact O-CD2 3.29Å; V204-L250 WeakPolarHBondContact O-CD2 3.26Å; A205-L250 HydrophobicContact CB-CD2 4.32Å; L248-L250 HydrophobicContact CB-CD2 4.02Å; L248-L250 HydrophobicContact CD1-CD2 4.49Å; L250-A254 HydrophobicContact CB-CB 4.19Å; L250-A254 WeakPolarHBondContact CD1-O 3.15Å; L250-L258 HydrophobicContact CD1-CD1 4.2Å; L250-L258 HydrophobicContact CD1-CD2 3.7Å; L250-L258 HydrophobicContact CD1-CG 3.68Å
251	T	92.4	Very high	92.5	Very high	12 Å²	12	45.5 Å²	45.5	7%	0.074	22%	0.215	C	C	.	.			trans	-63.6	179.5	171.7	59.3	0	0	0	0	111.8	R143 V204 A254	R143-T251 WeakPolarHBondContact CD-O 3.29Å; R143-T251 VanDerWaalsContact CZ-O 3.27Å; R143-T251 PolarHBondContact NE-O 3.33Å; R143-T251 PolarHBondContact NH2-O 2.97Å; V204-T251 PolarHBondContact O-N 3.34Å; T251-A254 WeakPolarHBondContact OG1-CB 3.43Å; T251-A254 PolarHBondContact OG1-N 2.77Å; T251-A254 VanDerWaalsContact OG1-N 3.09Å
252	E	87.8	Confident	92.8	Very high	138 Å²	138	41.9 Å²	41.9	65%	0.645	20%	0.203	S	C	*	.	S	Bend	trans	-70.8	-42.5	171	-46.4	-73.3	123	0	0	109.5	R143	R143-E252 IonicContact CZ-OE1 2.74Å; R143-E252 IonicContact NH1-OE1 2.66Å; R143-E252 PolarHBondContact NH1-OE1 3.48Å; R143-E252 IonicContact NH1-OE2 3.72Å; R143-E252 PolarHBondContact NH1-OE2 2.86Å; R143-E252 VanDerWaalsContact NH1-OE2 3.16Å; R143-E252 IonicContact NH2-OE1 3.9Å; R143-E252 PolarHBondContact NH2-OE1 2.84Å
253	E	88.9	Confident	92.9	Very high	137 Å²	137	41.5 Å²	41.5	64%	0.64	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-65.2	-40.5	179.3	-45.1	105.9	-97.8	0	0	112.8	E255	E253-E255 PolarHBondContact O-N 2.61Å
254	A	91.5	Very high	92.8	Very high	7 Å²	7	42.9 Å²	42.9	6%	0.058	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-74.7	25.4	-174.5	0	0	0	0	0	114.6	V204 L250 T251 D256 Y257	V204-A254 HydrophobicContact CB-CB 3.82Å; V204-A254 HydrophobicContact CG1-CB 4.24Å; V204-A254 WeakPolarHBondContact O-CB 3.47Å; L250-A254 HydrophobicContact CB-CB 4.19Å; L250-A254 WeakPolarHBondContact CD1-O 3.15Å; T251-A254 WeakPolarHBondContact OG1-CB 3.43Å; T251-A254 PolarHBondContact OG1-N 2.77Å; T251-A254 VanDerWaalsContact OG1-N 3.09Å; A254-D256 PolarHBondContact O-N 2.95Å; A254-Y257 HydrophobicContact CB-CD2 4.01Å; A254-Y257 HydrophobicContact CB-CE2 4.38Å
255	E	89.8	Confident	92.6	Very high	65 Å²	65	46.8 Å²	46.8	30%	0.304	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-70.6	-13.3	-178.3	-93	-135.2	-170.8	0	0	114.7	K140 R143 E253 L258	K140-E255 WeakPolarHBondContact CE-OE2 3.47Å; K140-E255 PolarHBondContact NZ-O 3.36Å; K140-E255 IonicContact NZ-OE2 2.9Å; K140-E255 PolarHBondContact NZ-OE2 3.17Å; R143-E255 VanDerWaalsContact CD-OE1 3.26Å; R143-E255 WeakPolarHBondContact CD-OE1 3.36Å; R143-E255 HydrophobicContact CG-CG 4.07Å; E253-E255 PolarHBondContact O-N 2.61Å; E255-L258 HydrophobicContact CB-CD1 4.48Å; E255-L258 HydrophobicContact CG-CD1 4.11Å; E255-L258 VanDerWaalsContact O-CB 3.29Å; E255-L258 WeakPolarHBondContact O-CB 3.45Å; E255-L258 PolarHBondContact O-N 3.24Å
256	D	91.5	Very high	92.4	Very high	90 Å²	90	45.5 Å²	45.5	48%	0.481	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-82.9	-24.9	-179.2	-66.3	-58.5	0	0	0	114.4	A254 L258 Q259	A254-D256 PolarHBondContact O-N 2.95Å; D256-L258 PolarHBondContact O-N 3.09Å; D256-Q259 WeakPolarHBondContact O-CB 3.44Å; D256-Q259 VanDerWaalsContact O-CG 3.25Å; D256-Q259 WeakPolarHBondContact O-CG 3.46Å; D256-Q259 PolarHBondContact O-N 3.13Å; D256-Q259 PolarHBondContact OD1-NE2 2.74Å
257	Y	93.7	Very high	92.2	Very high	32 Å²	32	44.6 Å²	44.6	13%	0.125	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-66.6	2.5	164.6	-53.1	-74.3	0	0	0	113.3	E98 F100 V204 A254 L263	E98-Y257 HydrophobicContact CG-CE1 4.34Å; F100-Y257 AromaticContact CE1-CD1 3.73Å; F100-Y257 HydrophobicContact CE1-CD1 3.73Å; F100-Y257 HydrophobicContact CE1-CD2 4.25Å; F100-Y257 AromaticContact CE1-CE1 3.85Å; F100-Y257 HydrophobicContact CE1-CE1 3.85Å; F100-Y257 HydrophobicContact CE1-CE2 4.36Å; F100-Y257 AromaticContact CE1-CG 3.92Å; F100-Y257 HydrophobicContact CE1-CG 3.92Å; F100-Y257 HydrophobicContact CZ-CD1 4.17Å; F100-Y257 HydrophobicContact CZ-CG 4.15Å; V204-Y257 HydrophobicContact CG1-CD2 4.19Å; V204-Y257 HydrophobicContact CG1-CE2 3.8Å; A254-Y257 HydrophobicContact CB-CD2 4.01Å; A254-Y257 HydrophobicContact CB-CE2 4.38Å; Y257-L263 WeakPolarHBondContact O-CD1 3.48Å; Y257-L263 WeakPolarHBondContact O-CD2 3.39Å; Y257-L263 WeakPolarHBondContact O-CG 3.49Å
258	L	92.9	Very high	91.8	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.037	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-93.6	-7.5	166.7	-59.3	162.5	0	0	0	113.3	A138 K140 R143 T144 L250 E255 D256	A138-L258 HydrophobicContact CB-CB 4.35Å; A138-L258 HydrophobicContact CB-CD2 4.15Å; A138-L258 WeakPolarHBondContact CB-O 3.49Å; K140-L258 HydrophobicContact CB-CB 4.23Å; K140-L258 HydrophobicContact CB-CD1 4.46Å; K140-L258 HydrophobicContact CD-CB 4.15Å; K140-L258 HydrophobicContact CG-CB 4.12Å; K140-L258 HydrophobicContact CG-CD1 4Å; R143-L258 HydrophobicContact CB-CD1 4.41Å; R143-L258 HydrophobicContact CG-CD1 3.59Å; T144-L258 WeakPolarHBondContact O-CD2 3.4Å; L250-L258 HydrophobicContact CD1-CD1 4.2Å; L250-L258 HydrophobicContact CD1-CD2 3.7Å; L250-L258 HydrophobicContact CD1-CG 3.68Å; E255-L258 HydrophobicContact CB-CD1 4.48Å; E255-L258 HydrophobicContact CG-CD1 4.11Å; E255-L258 VanDerWaalsContact O-CB 3.29Å; E255-L258 WeakPolarHBondContact O-CB 3.45Å; E255-L258 PolarHBondContact O-N 3.24Å; D256-L258 PolarHBondContact O-N 3.09Å
259	Q	91.7	Very high	91.3	Very high	58 Å²	58	54.1 Å²	54.1	27%	0.271	26%	0.255	S	S	.	.	S	Bend	trans	-81.3	134.3	173.9	-44.9	-72.2	4.9	0	0	109.1	D256 E261 L263	D256-Q259 WeakPolarHBondContact O-CB 3.44Å; D256-Q259 VanDerWaalsContact O-CG 3.25Å; D256-Q259 WeakPolarHBondContact O-CG 3.46Å; D256-Q259 PolarHBondContact O-N 3.13Å; D256-Q259 PolarHBondContact OD1-NE2 2.74Å; Q259-E261 PolarHBondContact O-N 3.36Å; Q259-L263 WeakPolarHBondContact O-CG 3.27Å; Q259-L263 PolarHBondContact O-N 3.19Å
260	P	90.1	Very high	90.8	Very high	28 Å²	28	50 Å²	50	18%	0.182	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	8.5	-176.5	35.9	-38.3	0	0	0	113.9	K264	P260-K264 WeakPolarHBondContact O-CD 3.15Å; P260-K264 WeakPolarHBondContact O-CE 3.08Å; P260-K264 WeakPolarHBondContact O-CG 3.42Å; P260-K264 PolarHBondContact O-NZ 2.77Å
261	E	90.9	Very high	90.4	Very high	99 Å²	99	49.9 Å²	49.9	46%	0.463	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-54.4	174.7	-114.2	55.6	-148.5	0	0	108.7	Q259 L263 K264 E265	Q259-E261 PolarHBondContact O-N 3.36Å; E261-L263 VanDerWaalsContact C-N 3.26Å; E261-L263 PolarHBondContact O-N 2.82Å; E261-L263 VanDerWaalsContact O-N 3.15Å; E261-K264 VanDerWaalsContact O-CA 3.29Å; E261-K264 WeakPolarHBondContact O-CA 3.29Å; E261-K264 VanDerWaalsContact O-CB 3.22Å; E261-K264 WeakPolarHBondContact O-CB 2.96Å; E261-K264 PolarHBondContact O-N 3.02Å; E261-K264 IonicContact OE1-NZ 2.97Å; E261-K264 PolarHBondContact OE1-NZ 2.64Å; E261-K264 IonicContact OE2-NZ 2.65Å; E261-K264 PolarHBondContact OE2-NZ 2.96Å; E261-E265 PolarHBondContact O-N 2.86Å; E261-E265 VanDerWaalsContact O-OE1 3.11Å
262	T	92.9	Very high	90	Very high	36 Å²	36	51.1 Å²	51.1	22%	0.221	24%	0.243	C	C	.	.	H	α-helix	trans	-48.5	-45.5	170	-39.8	0	0	0	0	112.2	K264 E265 V266	T262-K264 PolarHBondContact O-N 3.06Å; T262-E265 VanDerWaalsContact CA-OE2 3.26Å; T262-E265 WeakPolarHBondContact CA-OE2 3.49Å; T262-E265 PolarHBondContact N-OE2 2.83Å; T262-E265 PolarHBondContact O-N 2.83Å; T262-E265 VanDerWaalsContact O-N 3.08Å; T262-V266 WeakPolarHBondContact O-CG2 3.47Å; T262-V266 PolarHBondContact O-N 3.13Å
263	L	93.1	Very high	89.9	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-7.6	174	-71.7	178	0	0	0	115.7	L101 I136 A138 L145 Y257 Q259 E261 V267 V280	L101-L263 HydrophobicContact CD2-CD2 3.84Å; I136-L263 HydrophobicContact CG2-CD1 4.23Å; I136-L263 HydrophobicContact CG2-CD2 4.46Å; A138-L263 HydrophobicContact CB-CD1 3.93Å; L145-L263 HydrophobicContact CD1-CD1 3.81Å; L145-L263 HydrophobicContact CD1-CD2 4.27Å; L145-L263 HydrophobicContact CD2-CD2 4.03Å; Y257-L263 WeakPolarHBondContact O-CD1 3.48Å; Y257-L263 WeakPolarHBondContact O-CD2 3.39Å; Y257-L263 WeakPolarHBondContact O-CG 3.49Å; Q259-L263 WeakPolarHBondContact O-CG 3.27Å; Q259-L263 PolarHBondContact O-N 3.19Å; E261-L263 VanDerWaalsContact C-N 3.26Å; E261-L263 PolarHBondContact O-N 2.82Å; E261-L263 VanDerWaalsContact O-N 3.15Å; L263-V267 WeakPolarHBondContact O-CB 2.89Å; L263-V267 WeakPolarHBondContact O-CG2 3.35Å; L263-V280 HydrophobicContact CB-CG1 4.36Å
264	K	91.4	Very high	89.7	Confident	30 Å²	30	38.6 Å²	38.6	13%	0.13	19%	0.185	C	C	.	.	H	α-helix	trans	-98.8	-39.4	168.7	-59.7	168.3	-176.6	127.9	0	110.9	P260 E261 T262 V267 K268 V330	P260-K264 WeakPolarHBondContact O-CD 3.15Å; P260-K264 WeakPolarHBondContact O-CE 3.08Å; P260-K264 WeakPolarHBondContact O-CG 3.42Å; P260-K264 PolarHBondContact O-NZ 2.77Å; E261-K264 VanDerWaalsContact O-CA 3.29Å; E261-K264 WeakPolarHBondContact O-CA 3.29Å; E261-K264 VanDerWaalsContact O-CB 3.22Å; E261-K264 WeakPolarHBondContact O-CB 2.96Å; E261-K264 PolarHBondContact O-N 3.02Å; E261-K264 IonicContact OE1-NZ 2.97Å; E261-K264 PolarHBondContact OE1-NZ 2.64Å; E261-K264 IonicContact OE2-NZ 2.65Å; E261-K264 PolarHBondContact OE2-NZ 2.96Å; T262-K264 PolarHBondContact O-N 3.06Å; K264-V267 PolarHBondContact O-N 3.05Å; K264-K268 VanDerWaalsContact O-CG 3.28Å; K264-K268 WeakPolarHBondContact O-CG 3.38Å; K264-K268 PolarHBondContact O-N 3.03Å; K264-V330 HydrophobicContact CB-CG1 4.39Å; K264-V330 HydrophobicContact CG-CG2 4.08Å
265	E	90.7	Very high	89.2	Confident	89 Å²	89	42.4 Å²	42.4	42%	0.416	20%	0.204	S	C	.	.	H	α-helix	trans	-56	-57.9	173.4	-78.4	85.3	-108.2	0	0	110.7	E261 T262 V267 K268 K269	E261-E265 PolarHBondContact O-N 2.86Å; E261-E265 VanDerWaalsContact O-OE1 3.11Å; T262-E265 VanDerWaalsContact CA-OE2 3.26Å; T262-E265 WeakPolarHBondContact CA-OE2 3.49Å; T262-E265 PolarHBondContact N-OE2 2.83Å; T262-E265 PolarHBondContact O-N 2.83Å; T262-E265 VanDerWaalsContact O-N 3.08Å; E265-V267 VanDerWaalsContact C-N 3.26Å; E265-V267 PolarHBondContact O-N 3.29Å; E265-K268 WeakPolarHBondContact O-CA 3.13Å; E265-K268 WeakPolarHBondContact O-CB 3.44Å; E265-K268 PolarHBondContact O-N 3.27Å; E265-K269 PolarHBondContact O-N 2.92Å
266	V	92.2	Very high	89.2	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-58.3	-37.2	178.7	-173	0	0	0	0	112.4	E98 L101 T262 Y270	E98-V266 HydrophobicContact CB-CG1 4.19Å; E98-V266 VanDerWaalsContact CD-CG2 3.48Å; E98-V266 HydrophobicContact CG-CG2 4.43Å; E98-V266 WeakPolarHBondContact OE1-CG2 3.33Å; L101-V266 HydrophobicContact CB-CG1 4Å; L101-V266 HydrophobicContact CD2-CB 4.01Å; L101-V266 HydrophobicContact CD2-CG1 3.88Å; L101-V266 HydrophobicContact CG-CG1 4.42Å; T262-V266 WeakPolarHBondContact O-CG2 3.47Å; T262-V266 PolarHBondContact O-N 3.13Å; V266-Y270 HydrophobicContact CG1-CD2 3.82Å; V266-Y270 HydrophobicContact CG1-CE2 4.25Å; V266-Y270 PolarHBondContact O-N 3.43Å
267	V	91.9	Very high	89.2	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-74.2	-25.3	178	173.5	0	0	0	0	112.6	L101 I105 I136 L263 K264 E265 S271 Q272 I278 V330	L101-V267 HydrophobicContact CD2-CG2 3.84Å; I105-V267 HydrophobicContact CD1-CG2 3.79Å; I136-V267 HydrophobicContact CD1-CG2 3.82Å; L263-V267 WeakPolarHBondContact O-CB 2.89Å; L263-V267 WeakPolarHBondContact O-CG2 3.35Å; K264-V267 PolarHBondContact O-N 3.05Å; E265-V267 VanDerWaalsContact C-N 3.26Å; E265-V267 PolarHBondContact O-N 3.29Å; V267-S271 CarbonylContact O-C 3.53Å; V267-S271 WeakPolarHBondContact O-CA 3.38Å; V267-S271 WeakPolarHBondContact O-CB 3.4Å; V267-S271 PolarHBondContact O-N 2.8Å; V267-Q272 PolarHBondContact O-N 3.31Å; V267-I278 HydrophobicContact CG1-CB 4.44Å; V267-I278 HydrophobicContact CG1-CD1 4.15Å; V267-I278 HydrophobicContact CG1-CG2 3.9Å; V267-V330 HydrophobicContact CB-CG1 4.22Å; V267-V330 HydrophobicContact CG1-CB 3.9Å; V267-V330 HydrophobicContact CG1-CG1 3.79Å; V267-V330 HydrophobicContact CG1-CG2 4.46Å
268	K	88.2	Confident	89.2	Confident	114 Å²	114	35.5 Å²	35.5	50%	0.496	17%	0.173	S	C	.	.	H	α-helix	trans	-71.6	-57.4	167	-72.7	165.6	173.4	179.7	0	109.5	K264 E265 Y270 Q272 V330	K264-K268 VanDerWaalsContact O-CG 3.28Å; K264-K268 WeakPolarHBondContact O-CG 3.38Å; K264-K268 PolarHBondContact O-N 3.03Å; E265-K268 WeakPolarHBondContact O-CA 3.13Å; E265-K268 WeakPolarHBondContact O-CB 3.44Å; E265-K268 PolarHBondContact O-N 3.27Å; K268-Y270 PolarHBondContact O-N 2.86Å; K268-Q272 VanDerWaalsContact O-CB 3.24Å; K268-Q272 WeakPolarHBondContact O-CB 3.49Å; K268-Q272 PolarHBondContact O-N 3.43Å; K268-V330 HydrophobicContact CG-CG1 4.2Å
269	K	85.1	Confident	89.3	Confident	97 Å²	97	38.2 Å²	38.2	42%	0.422	18%	0.183	S	C	.	.	H	α-helix	trans	-50.6	-60.2	-176.1	-171.7	170.1	-177.7	176.9	0	111	E265 Y410	E265-K269 PolarHBondContact O-N 2.92Å; K269-Y410 HydrophobicContact CG-CD1 4.06Å; K269-Y410 HydrophobicContact CG-CE1 4.04Å; K269-Y410 WeakPolarHBondContact O-CB 3.3Å
270	Y	86.8	Confident	89.5	Confident	5 Å²	5	35.5 Å²	35.5	2%	0.02	17%	0.171	C	C	.	.	H	α-helix	trans	-93.8	-15.4	-171.4	-62.1	-77.6	0	0	0	116.2	E98 R102 V266 K268 Y410	E98-Y270 HydrophobicContact CB-CE2 4.04Å; R102-Y270 HydrophobicContact CB-CD1 4.3Å; R102-Y270 HydrophobicContact CB-CG 4.02Å; R102-Y270 HydrophobicContact CG-CD1 4.22Å; R102-Y270 HydrophobicContact CG-CG 4.26Å; V266-Y270 HydrophobicContact CG1-CD2 3.82Å; V266-Y270 HydrophobicContact CG1-CE2 4.25Å; V266-Y270 PolarHBondContact O-N 3.43Å; K268-Y270 PolarHBondContact O-N 2.86Å; Y270-Y410 AromaticContact CD1-CD1 3.62Å; Y270-Y410 HydrophobicContact CD1-CD1 3.62Å; Y270-Y410 HydrophobicContact CD1-CE1 4.24Å; Y270-Y410 AromaticContact CE1-CD1 3.78Å; Y270-Y410 HydrophobicContact CE1-CD1 3.78Å; Y270-Y410 AromaticContact CE1-CE1 3.92Å; Y270-Y410 HydrophobicContact CE1-CE1 3.92Å; Y270-Y410 HydrophobicContact CG-CD1 4.42Å
271	S	86	Confident	89.6	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-139.3	12.2	-162	-72.8	0	0	0	0	116	V267 F273 I274	V267-S271 CarbonylContact O-C 3.53Å; V267-S271 WeakPolarHBondContact O-CA 3.38Å; V267-S271 WeakPolarHBondContact O-CB 3.4Å; V267-S271 PolarHBondContact O-N 2.8Å; S271-F273 VanDerWaalsContact C-N 3.26Å; S271-F273 PolarHBondContact O-N 3.31Å; S271-I274 PolarHBondContact O-N 2.77Å; S271-I274 WeakPolarHBondContact OG-CD1 3.44Å
272	Q	83.1	Confident	89.4	Confident	38 Å²	38	33.1 Å²	33.1	18%	0.178	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.5	-178.1	-177.3	-179.7	43.5	0	0	114.2	V267 K268 N331 N333	V267-Q272 PolarHBondContact O-N 3.31Å; K268-Q272 VanDerWaalsContact O-CB 3.24Å; K268-Q272 WeakPolarHBondContact O-CB 3.49Å; K268-Q272 PolarHBondContact O-N 3.43Å; Q272-N331 WeakPolarHBondContact O-CB 3.48Å; Q272-N333 HydrophobicContact CG-CB 4.25Å; Q272-N333 PolarHBondContact NE2-ND2 2.87Å; Q272-N333 VanDerWaalsContact NE2-ND2 3.14Å
273	F	85	Confident	89	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.009	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	4.7	-171.5	-61.1	-72.6	0	0	0	115.3	S271 N275 N333 W337 L352 Y405 R408 I429	S271-F273 VanDerWaalsContact C-N 3.26Å; S271-F273 PolarHBondContact O-N 3.31Å; F273-N275 PolarHBondContact O-N 3.29Å; F273-N333 HydrophobicContact CE1-CB 3.97Å; F273-W337 HydrophobicContact CB-CH2 4.18Å; F273-W337 HydrophobicContact CB-CZ2 4.22Å; F273-W337 AromaticContact CD1-CH2 3.38Å; F273-W337 HydrophobicContact CD1-CH2 3.38Å; F273-W337 HydrophobicContact CD1-CZ2 4.19Å; F273-W337 HydrophobicContact CD1-CZ3 4Å; F273-W337 AromaticContact CD2-CH2 3.67Å; F273-W337 HydrophobicContact CD2-CH2 3.67Å; F273-W337 HydrophobicContact CD2-CZ2 4.31Å; F273-W337 AromaticContact CE1-CH2 3.53Å; F273-W337 HydrophobicContact CE1-CH2 3.53Å; F273-W337 AromaticContact CE1-CZ3 3.77Å; F273-W337 HydrophobicContact CE1-CZ3 3.77Å; F273-W337 AromaticContact CE2-CH2 3.8Å; F273-W337 HydrophobicContact CE2-CH2 3.8Å; F273-W337 AromaticContact CG-CH2 3.44Å; F273-W337 HydrophobicContact CG-CH2 3.44Å; F273-W337 VanDerWaalsContact CG-CH2 3.44Å; F273-W337 AromaticContact CG-CZ2 3.97Å; F273-W337 HydrophobicContact CG-CZ2 3.97Å; F273-W337 HydrophobicContact CG-CZ3 4.46Å; F273-W337 AromaticContact CZ-CH2 3.74Å; F273-W337 HydrophobicContact CZ-CH2 3.74Å; F273-W337 HydrophobicContact CZ-CZ3 4.05Å; F273-L352 HydrophobicContact CE1-CD1 3.99Å; F273-L352 HydrophobicContact CZ-CD1 3.93Å; F273-Y405 HydrophobicContact CD2-CD1 4.48Å; F273-Y405 AromaticContact CD2-CE1 3.65Å; F273-Y405 HydrophobicContact CD2-CE1 3.65Å; F273-Y405 AromaticContact CD2-CZ 3.82Å; F273-Y405 HydrophobicContact CE2-CE1 4.17Å; F273-Y405 AromaticContact CE2-CZ 3.84Å; F273-Y405 WeakPolarHBondContact CE2-OH 3.32Å; F273-R408 HydrophobicContact CB-CB 4.22Å; F273-I429 HydrophobicContact CZ-CD1 4.36Å
274	I	85.2	Confident	88.2	Confident	10 Å²	10	38.8 Å²	38.8	5%	0.051	18%	0.179	C	C	.	.			trans	-61.2	134.3	173.6	-68.1	179.3	0	0	0	110.3	I105 S271 F276 I278 N331	I105-I274 HydrophobicContact CG2-CD1 3.57Å; S271-I274 PolarHBondContact O-N 2.77Å; S271-I274 WeakPolarHBondContact OG-CD1 3.44Å; I274-F276 VanDerWaalsContact C-N 3.28Å; I274-F276 PolarHBondContact O-N 2.9Å; I274-I278 HydrophobicContact CB-CD1 4.35Å; I274-N331 PolarHBondContact O-ND2 3.45Å
275	N	81.9	Confident	87.5	Confident	88 Å²	88	41.2 Å²	41.2	47%	0.471	20%	0.196	S	C	.	.	S	Bend	trans	-66.5	-25.6	-167.4	-161.2	9.2	0	0	0	113.7	F273	F273-N275 PolarHBondContact O-N 3.29Å
276	F	88.8	Confident	86.6	Confident	10 Å²	10	39.5 Å²	39.5	4%	0.044	19%	0.188	C	C	.	.	S	Bend	trans	-91.4	142.3	-179.5	-64.2	-73.7	0	0	0	112.4	L112 D113 M132 I274 I278 N331	L112-F276 HydrophobicContact CB-CD1 4.03Å; L112-F276 HydrophobicContact CB-CD2 3.7Å; L112-F276 HydrophobicContact CB-CE1 3.8Å; L112-F276 HydrophobicContact CB-CE2 3.45Å; L112-F276 VanDerWaalsContact CB-CE2 3.45Å; L112-F276 HydrophobicContact CB-CG 3.98Å; L112-F276 HydrophobicContact CB-CZ 3.5Å; L112-F276 VanDerWaalsContact CB-CZ 3.5Å; L112-F276 HydrophobicContact CD1-CB 3.87Å; L112-F276 HydrophobicContact CD1-CD1 4.13Å; L112-F276 HydrophobicContact CD1-CD2 3.97Å; L112-F276 HydrophobicContact CD1-CG 3.71Å; L112-F276 HydrophobicContact CG-CD2 4.47Å; L112-F276 HydrophobicContact CG-CG 4.41Å; D113-F276 HydrophobicContact CB-CE2 4.45Å; D113-F276 WeakPolarHBondContact OD1-CE2 3.25Å; D113-F276 WeakPolarHBondContact OD1-CZ 3.37Å; M132-F276 HydrophobicContact CB-CD1 4.03Å; M132-F276 HydrophobicContact CB-CE1 4.06Å; M132-F276 HydrophobicContact CE-CE1 4.48Å; M132-F276 HydrophobicContact SD-CE1 4.16Å; I274-F276 VanDerWaalsContact C-N 3.28Å; I274-F276 PolarHBondContact O-N 2.9Å; F276-I278 PolarHBondContact O-N 3.36Å; F276-N331 PolarHBondContact O-ND2 3.5Å
277	P	92	Very high	85.2	Confident	31 Å²	31	43.3 Å²	43.3	20%	0.201	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-68.1	122.1	-179.2	28.6	-34.8	0	0	0	111.6	M132 I134 Y279	M132-P277 WeakPolarHBondContact O-CD 3.33Å; I134-P277 PolarHBondContact N-O 3.16Å; P277-Y279 HydrophobicContact CB-CE2 3.71Å; P277-Y279 HydrophobicContact CG-CE2 4.01Å
278	I	94.4	Very high	83.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.3	177	-52.9	171.1	0	0	0	108.6	I105 I134 I136 V267 I274 F276 R329 V330 N331	I105-I278 HydrophobicContact CG2-CD1 3.78Å; I134-I278 HydrophobicContact CB-CG1 4.29Å; I134-I278 HydrophobicContact CD1-CG1 4.37Å; I134-I278 WeakPolarHBondContact O-CA 3.46Å; I136-I278 HydrophobicContact CD1-CG2 3.84Å; V267-I278 HydrophobicContact CG1-CB 4.44Å; V267-I278 HydrophobicContact CG1-CD1 4.15Å; V267-I278 HydrophobicContact CG1-CG2 3.9Å; I274-I278 HydrophobicContact CB-CD1 4.35Å; F276-I278 PolarHBondContact O-N 3.36Å; I278-R329 VanDerWaalsContact O-CA 3.32Å; I278-R329 WeakPolarHBondContact O-CA 3.45Å; I278-V330 PolarHBondContact O-N 2.8Å; I278-N331 PolarHBondContact N-OD1 2.9Å
279	Y	94.7	Very high	82	Confident	64 Å²	64	48.2 Å²	48.2	25%	0.251	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.1	178.5	-57.1	-94.1	0	0	0	112.2	I134 R135 I136 P277 W327 V328 R329	I134-Y279 PolarHBondContact O-N 3.36Å; R135-Y279 WeakPolarHBondContact CA-O 3.26Å; R135-Y279 HydrophobicContact CG-CD2 4.32Å; I136-Y279 PolarHBondContact N-O 3.21Å; P277-Y279 HydrophobicContact CB-CE2 3.71Å; P277-Y279 HydrophobicContact CG-CE2 4.01Å; Y279-W327 HydrophobicContact CD1-CB 4.11Å; Y279-W327 HydrophobicContact CG-CB 4.37Å; Y279-V328 CarbonylContact C-O 3.28Å; Y279-V328 VanDerWaalsContact CA-O 3.3Å; Y279-V328 WeakPolarHBondContact CA-O 3.28Å; Y279-R329 HydrophobicContact CD1-CB 3.87Å; Y279-R329 HydrophobicContact CE1-CB 3.83Å
280	V	94.7	Very high	80.6	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.012	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.4	172	176.2	0	0	0	0	109.7	I136 L263 S282 V328 V330	I136-V280 HydrophobicContact CB-CG2 4.33Å; I136-V280 HydrophobicContact CD1-CG2 4.43Å; L263-V280 HydrophobicContact CB-CG1 4.36Å; V280-S282 PolarHBondContact O-N 2.9Å; V280-S282 VanDerWaalsContact O-N 3.15Å; V280-S282 PolarHBondContact O-OG 3.31Å; V280-V328 PolarHBondContact N-O 3.32Å; V280-V328 PolarHBondContact O-N 2.83Å; V280-V328 VanDerWaalsContact O-N 3.09Å; V280-V330 HydrophobicContact CB-CG2 4.01Å; V280-V330 HydrophobicContact CG2-CG2 3.57Å
281	W	92.7	Very high	78.7	Confident	72 Å²	72	54.6 Å²	54.6	27%	0.273	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	102.1	176.2	-176.1	-104.1	0	0	0	110.8	I136 K137 W325 W327	I136-W281 PolarHBondContact O-N 3.4Å; K137-W281 HydrophobicContact CB-CB 3.91Å; K137-W281 HydrophobicContact CD-CB 4.43Å; K137-W281 HydrophobicContact CD-CG 4.18Å; K137-W281 HydrophobicContact CG-CB 3.99Å; K137-W281 HydrophobicContact CG-CG 4.1Å; W281-W325 AromaticContact CD1-CE3 3.67Å; W281-W325 HydrophobicContact CG-CE3 4.48Å; W281-W325 HydrophobicContact CH2-CB 4Å; W281-W325 HydrophobicContact CZ2-CB 3.37Å; W281-W325 HydrophobicContact CZ2-CG 4.37Å; W281-W325 AromaticContact NE1-CD2 3.98Å; W281-W325 AromaticContact NE1-CE3 3.53Å; W281-W327 HydrophobicContact CB-CE3 4.08Å; W281-W327 HydrophobicContact CB-CH2 4.12Å; W281-W327 HydrophobicContact CB-CZ3 3.8Å; W281-W327 AromaticContact CE3-CD1 3.83Å; W281-W327 AromaticContact CE3-CD2 3.64Å; W281-W327 HydrophobicContact CE3-CD2 3.64Å; W281-W327 AromaticContact CE3-CE2 3.53Å; W281-W327 HydrophobicContact CE3-CE3 4.21Å; W281-W327 AromaticContact CE3-CG 3.84Å; W281-W327 HydrophobicContact CE3-CG 3.84Å; W281-W327 HydrophobicContact CE3-CZ2 4.04Å; W281-W327 AromaticContact CE3-NE1 3.63Å; W281-W327 AromaticContact CZ3-CD1 3.66Å; W281-W327 HydrophobicContact CZ3-CD2 4.27Å; W281-W327 AromaticContact CZ3-CE2 3.98Å; W281-W327 HydrophobicContact CZ3-CG 4.08Å; W281-W327 AromaticContact CZ3-NE1 3.58Å
282	S	87.5	Confident	76.6	Confident	5 Å²	5	60.7 Å²	60.7	4%	0.035	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	163.9	-171.5	57.6	0	0	0	0	112.7	V280 W325 D326 V328	V280-S282 PolarHBondContact O-N 2.9Å; V280-S282 VanDerWaalsContact O-N 3.15Å; V280-S282 PolarHBondContact O-OG 3.31Å; S282-W325 WeakPolarHBondContact O-CA 3.28Å; S282-D326 PolarHBondContact N-O 3.46Å; S282-D326 PolarHBondContact O-N 2.99Å; S282-V328 VanDerWaalsContact OG-CG2 3.24Å; S282-V328 WeakPolarHBondContact OG-CG2 3.46Å
283	S	84.7	Confident	74.5	Confident	46 Å²	46	66.3 Å²	66.3	32%	0.322	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.5	-170.8	68.2	0	0	0	0	112.5
284	R	75.1	Confident	72	Confident	110 Å²	110	75 Å²	75	42%	0.415	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	146.5	167.5	71	169.1	-179.1	-91.5	-7	112	E286 V324 D326	R284-E286 HydrophobicContact CG-CG 4.47Å; R284-E286 IonicContact CZ-OE1 3.14Å; R284-E286 VanDerWaalsContact CZ-OE1 3.26Å; R284-E286 IonicContact NE-OE1 3.16Å; R284-E286 PolarHBondContact NE-OE1 3.32Å; R284-E286 IonicContact NH2-OE1 2.71Å; R284-E286 PolarHBondContact NH2-OE1 2.88Å; R284-V324 HydrophobicContact CG-CB 4.34Å; R284-V324 PolarHBondContact N-O 2.62Å; R284-V324 PolarHBondContact O-N 2.91Å; R284-D326 IonicContact CZ-OD2 3.86Å; R284-D326 IonicContact NH1-OD2 2.68Å; R284-D326 PolarHBondContact NH1-OD2 2.8Å; R284-D326 IonicContact NH2-OD2 2.71Å; R284-D326 PolarHBondContact NH2-OD2 3.45Å
285	V	77.1	Confident	69.7	Low	81 Å²	81	82.5 Å²	82.5	49%	0.491	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	109.1	176.1	-176.2	0	0	0	0	109.4	E321	V285-E321 HydrophobicContact CG1-CB 3.68Å; V285-E321 HydrophobicContact CG1-CG 3.63Å
286	E	71.1	Confident	67.3	Low	53 Å²	53	87.2 Å²	87.2	25%	0.248	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	110.4	173	-77.1	-171.9	-157.8	0	0	111.3	R284 K288 N322 V324	R284-E286 HydrophobicContact CG-CG 4.47Å; R284-E286 IonicContact CZ-OE1 3.14Å; R284-E286 VanDerWaalsContact CZ-OE1 3.26Å; R284-E286 IonicContact NE-OE1 3.16Å; R284-E286 PolarHBondContact NE-OE1 3.32Å; R284-E286 IonicContact NH2-OE1 2.71Å; R284-E286 PolarHBondContact NH2-OE1 2.88Å; E286-K288 VanDerWaalsContact C-N 3.31Å; E286-K288 PolarHBondContact O-N 3.01Å; E286-K288 IonicContact OE2-NZ 2.77Å; E286-K288 PolarHBondContact OE2-NZ 3.07Å; E286-N322 PolarHBondContact N-O 3.01Å; E286-N322 PolarHBondContact O-N 2.92Å; E286-V324 HydrophobicContact CB-CG2 4.33Å; E286-V324 HydrophobicContact CG-CG2 4.33Å
287	S	62.9	Low	64.6	Low	80 Å²	80	93.6 Å²	93.6	56%	0.559	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	71.5	175.3	49.8	0	0	0	0	112.1	V289	S287-V289 PolarHBondContact O-N 2.9Å
288	K	57.7	Low	61.7	Low	112 Å²	112	96.2 Å²	96.2	49%	0.487	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	118.3	176.2	-75.3	-168.6	174.1	73.9	0	111.4	E286 V290 V320	E286-K288 VanDerWaalsContact C-N 3.31Å; E286-K288 PolarHBondContact O-N 3.01Å; E286-K288 IonicContact OE2-NZ 2.77Å; E286-K288 PolarHBondContact OE2-NZ 3.07Å; K288-V290 PolarHBondContact O-N 3.41Å; K288-V320 PolarHBondContact O-N 2.93Å
289	V	55.5	Low	58.5	Low	106 Å²	106	104.8 Å²	104.8	64%	0.642	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	118.5	168.5	-177.6	0	0	0	0	108.9	S287 D291 T319	S287-V289 PolarHBondContact O-N 2.9Å; V289-D291 PolarHBondContact O-N 3.45Å; V289-T319 HydrophobicContact CG2-CG2 4.28Å
290	V	56.2	Low	55.4	Low	88 Å²	88	108.1 Å²	108.1	53%	0.533	56%	0.56	S	S	.	*			trans	-87.6	93.6	-179.2	-176	0	0	0	0	110.2	K288 T292 V320	K288-V290 PolarHBondContact O-N 3.41Å; V290-T292 PolarHBondContact O-N 2.93Å; V290-T292 VanDerWaalsContact O-N 3.14Å; V290-V320 HydrophobicContact CG2-CG2 4.34Å
291	D	47.4	Very low	52.3	Low	148 Å²	148	112 Å²	112	79%	0.791	59%	0.593	S	S	*	*			trans	-56.4	116.3	167.1	-86.5	-30.3	0	0	0	110	V289 E293	V289-D291 PolarHBondContact O-N 3.45Å; D291-E293 PolarHBondContact O-N 2.83Å
292	T	41.1	Very low	49.4	Very low	128 Å²	128	115.7 Å²	115.7	79%	0.785	62%	0.618	S	S	*	*			trans	-77.9	122.5	-179.2	-59.2	0	0	0	0	109.9	V290 E294	V290-T292 PolarHBondContact O-N 2.93Å; V290-T292 VanDerWaalsContact O-N 3.14Å; T292-E294 PolarHBondContact O-N 3.17Å
293	E	38	Very low	46.6	Very low	157 Å²	157	120.4 Å²	120.4	73%	0.734	65%	0.651	S	S	*	*			trans	-64.5	99.5	-174.6	-73.5	-152.8	114.3	0	0	113.9	D291 K295	D291-E293 PolarHBondContact O-N 2.83Å; E293-K295 IonicContact OE1-NZ 2.64Å; E293-K295 PolarHBondContact OE1-NZ 2.82Å
294	E	33.5	Very low	44	Very low	183 Å²	183	127.4 Å²	127.4	86%	0.855	68%	0.679	S	S	*	*			trans	-93.7	101.5	156	-71.6	-150.4	145.7	0	0	111.2	T292	T292-E294 PolarHBondContact O-N 3.17Å
295	K	37.8	Very low	41.9	Very low	168 Å²	168	126.6 Å²	126.6	73%	0.73	70%	0.695	S	S	*	*			trans	-110.7	99.7	157.7	-70.9	-170.4	-175.9	88.3	0	109.3	E293	E293-K295 IonicContact OE1-NZ 2.64Å; E293-K295 PolarHBondContact OE1-NZ 2.82Å
296	E	30	Very low	39.7	Very low	187 Å²	187	127.8 Å²	127.8	87%	0.874	71%	0.707	S	S	*	*			trans	-58.7	135.4	170	-70.6	-163.9	113.3	0	0	111.8
297	D	31.9	Very low	38	Very low	144 Å²	144	131.2 Å²	131.2	77%	0.77	73%	0.731	S	S	*	*			trans	-153.9	76.5	145.1	-161	-9.2	0	0	0	112.2
298	S	31.3	Very low	36.4	Very low	87 Å²	87	135 Å²	135	61%	0.608	74%	0.74	S	S	*	*				170.4	117.5	124.1	46.7	0	0	0	0	117.2
299	K	28.1	Very low	35.1	Very low	179 Å²	179	138 Å²	138	78%	0.778	76%	0.756	S	S	*	*			trans	58.2	128.7	132.4	-54.7	171.4	-174.3	101	0	117.5
300	T	28.3	Very low	33.8	Very low	134 Å²	134	141.7 Å²	141.7	82%	0.822	77%	0.766	S	S	*	*			cis	-173.1	148.2	31.9	-13.9	0	0	0	0	113.6
301	A	29.7	Very low	32.4	Very low	84 Å²	84	141.9 Å²	141.9	69%	0.694	77%	0.771	S	S	*	*			trans	81.5	132.3	142.9	0	0	0	0	0	123.4
302	D	31.9	Very low	31.6	Very low	149 Å²	149	138.2 Å²	138.2	80%	0.797	77%	0.769	S	S	*	*			trans	77.7	99.5	145.1	-66.8	-3.6	0	0	0	124.3
303	S	29.9	Very low	31.2	Very low	105 Å²	105	136.6 Å²	136.6	73%	0.734	75%	0.751	S	S	*	*				79.9	111.1	125	65.1	0	0	0	0	123.6
304	E	28.8	Very low	31.2	Very low	193 Å²	193	138.5 Å²	138.5	90%	0.902	76%	0.757	S	S	*	*			trans	30.1	116.2	130.2	-58.7	178.4	-173.6	0	0	120.7
305	A	32.4	Very low	31.2	Very low	92 Å²	92	133.7 Å²	133.7	76%	0.76	74%	0.743	S	S	*	*				168.8	135.6	100.6	0	0	0	0	0	115.7
306	S	30.3	Very low	31.3	Very low	107 Å²	107	133 Å²	133	75%	0.748	74%	0.743	S	S	*	*			trans	50.9	123.8	152.3	56.7	0	0	0	0	122.9
307	V	35.9	Very low	31.9	Very low	124 Å²	124	127 Å²	127	75%	0.752	73%	0.731	S	S	*	*			trans	-13.6	152.7	139.7	-83.6	0	0	0	0	117.8
308	E	29.4	Very low	32.4	Very low	160 Å²	160	128.8 Å²	128.8	75%	0.748	73%	0.732	S	S	*	*			cis	-154.5	160.3	31.1	-137.9	145.3	-128.9	0	0	113.3
309	E	29.2	Very low	33.6	Very low	176 Å²	176	128.3 Å²	128.3	82%	0.822	73%	0.725	S	S	*	*			trans	67.6	145.4	156.3	-83.5	171.6	-172.1	0	0	125.2
310	E	29.1	Very low	34.9	Very low	182 Å²	182	123 Å²	123	85%	0.85	71%	0.708	S	S	*	*			trans	64.8	151.2	164.3	-68.6	-158.8	157.1	0	0	123.9
311	S	26.3	Very low	36.8	Very low	92 Å²	92	123 Å²	123	64%	0.643	70%	0.698	S	S	*	*			trans	67.2	86.9	176.3	67.2	0	0	0	0	117.6	L1317	S311-L1317 WeakPolarHBondContact CB-O 3.41Å
312	G	30.7	Very low	39	Very low	71 Å²	71	122.6 Å²	122.6	73%	0.732	69%	0.685	S	S	*	*			trans	-154.9	95.8	168.7	0	0	0	0	0	111.8	S1318	G312-S1318 WeakPolarHBondContact CA-O 3.32Å
313	K	32.6	Very low	41.3	Very low	95 Å²	95	119.8 Å²	119.8	41%	0.413	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-61.5	153.5	162.5	-62.1	-179.8	176.7	-167.5	0	109	S1318	K313-S1318 PolarHBondContact N-O 2.92Å
314	K	37.6	Very low	43.9	Very low	197 Å²	197	116.7 Å²	116.7	86%	0.857	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-101.8	132.4	158.3	-76.5	-176.1	175.5	-179.4	0	108.6	N1320	K314-N1320 CarbonylContact C-O 3.48Å
315	S	35	Very low	46.6	Very low	82 Å²	82	113.7 Å²	113.7	57%	0.573	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-63.2	134.9	166.8	48.2	0	0	0	0	110.5	G317 N1320	S315-G317 PolarHBondContact O-N 3.32Å; S315-N1320 WeakPolarHBondContact CA-O 3.4Å; S315-N1320 PolarHBondContact N-O 2.72Å
316	E	38.5	Very low	49.4	Very low	154 Å²	154	112.2 Å²	112.2	72%	0.72	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-51.8	120	162	-67.9	134.4	-152.3	0	0	109.3
317	G	43.8	Very low	52.3	Low	61 Å²	61	111.2 Å²	111.2	63%	0.629	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-77.2	128	161.1	0	0	0	0	0	107.4	S315 T319	S315-G317 PolarHBondContact O-N 3.32Å; G317-T319 PolarHBondContact O-N 3.37Å
318	K	42	Very low	54.8	Low	180 Å²	180	108.1 Å²	108.1	78%	0.783	57%	0.57	S	S	*	*			trans	-62.9	106.5	171.4	-90.3	-158.5	167.8	-152	0	109.1
319	T	56.4	Low	57.7	Low	77 Å²	77	105.9 Å²	105.9	47%	0.472	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-53.6	134.3	149.2	34.2	0	0	0	0	107.9	V289 G317	V289-T319 HydrophobicContact CG2-CG2 4.28Å; G317-T319 PolarHBondContact O-N 3.37Å
320	V	56.1	Low	60.5	Low	67 Å²	67	98.8 Å²	98.8	41%	0.406	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	105.9	169.4	-179.1	0	0	0	0	105.8	K288 V290 N322	K288-V320 PolarHBondContact O-N 2.93Å; V290-V320 HydrophobicContact CG2-CG2 4.34Å; V320-N322 PolarHBondContact O-N 2.83Å; V320-N322 PolarHBondContact O-ND2 3.19Å
321	E	66.2	Low	63.2	Low	135 Å²	135	90.2 Å²	90.2	63%	0.631	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	121.9	169.6	-75.5	158	-142.4	0	0	108.9	V285	V285-E321 HydrophobicContact CG1-CB 3.68Å; V285-E321 HydrophobicContact CG1-CG 3.63Å
322	N	76.2	Confident	65.5	Low	76 Å²	76	89 Å²	89	41%	0.406	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.7	172.8	-73.2	-100.6	0	0	0	107.1	E286 V320 V324	E286-N322 PolarHBondContact N-O 3.01Å; E286-N322 PolarHBondContact O-N 2.92Å; V320-N322 PolarHBondContact O-N 2.83Å; V320-N322 PolarHBondContact O-ND2 3.19Å; N322-V324 PolarHBondContact O-N 3.32Å
323	V	80.5	Confident	67.8	Low	89 Å²	89	87.7 Å²	87.7	54%	0.539	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	110.2	171.9	-175.8	0	0	0	0	107.8
324	V	85.5	Confident	70.1	Confident	41 Å²	41	89.2 Å²	89.2	25%	0.248	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116.5	177.5	-179.8	0	0	0	0	107.8	R284 E286 N322	R284-V324 HydrophobicContact CG-CB 4.34Å; R284-V324 PolarHBondContact N-O 2.62Å; R284-V324 PolarHBondContact O-N 2.91Å; E286-V324 HydrophobicContact CB-CG2 4.33Å; E286-V324 HydrophobicContact CG-CG2 4.33Å; N322-V324 PolarHBondContact O-N 3.32Å
325	W	85.6	Confident	72.4	Confident	129 Å²	129	81 Å²	81	49%	0.489	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	131.8	169.1	-66.7	84.8	0	0	0	109.5	W281 S282	W281-W325 AromaticContact CD1-CE3 3.67Å; W281-W325 HydrophobicContact CG-CE3 4.48Å; W281-W325 HydrophobicContact CH2-CB 4Å; W281-W325 HydrophobicContact CZ2-CB 3.37Å; W281-W325 HydrophobicContact CZ2-CG 4.37Å; W281-W325 AromaticContact NE1-CD2 3.98Å; W281-W325 AromaticContact NE1-CE3 3.53Å; S282-W325 WeakPolarHBondContact O-CA 3.28Å
326	D	90	Very high	75	Confident	62 Å²	62	77.4 Å²	77.4	33%	0.332	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	164.9	-175.8	-148.4	-14.7	0	0	0	110.2	S282 R284 V328	S282-D326 PolarHBondContact N-O 3.46Å; S282-D326 PolarHBondContact O-N 2.99Å; R284-D326 IonicContact CZ-OD2 3.86Å; R284-D326 IonicContact NH1-OD2 2.68Å; R284-D326 PolarHBondContact NH1-OD2 2.8Å; R284-D326 IonicContact NH2-OD2 2.71Å; R284-D326 PolarHBondContact NH2-OD2 3.45Å; D326-V328 PolarHBondContact O-N 2.83Å
327	W	90.8	Very high	77.4	Confident	86 Å²	86	70.3 Å²	70.3	33%	0.326	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	104.7	173.8	-71.7	106.1	0	0	0	109.6	R135 I136 K137 Y279 W281	R135-W327 HydrophobicContact CB-CE3 4.3Å; R135-W327 HydrophobicContact CB-CH2 3.77Å; R135-W327 HydrophobicContact CB-CZ2 4.5Å; R135-W327 HydrophobicContact CB-CZ3 3.65Å; R135-W327 HydrophobicContact CG-CD2 4.42Å; R135-W327 HydrophobicContact CG-CE3 4.04Å; R135-W327 HydrophobicContact CG-CH2 4.15Å; R135-W327 HydrophobicContact CG-CZ3 3.89Å; I136-W327 WeakPolarHBondContact O-CZ3 3.48Å; K137-W327 HydrophobicContact CB-CH2 4.05Å; K137-W327 HydrophobicContact CB-CZ3 4.49Å; Y279-W327 HydrophobicContact CD1-CB 4.11Å; Y279-W327 HydrophobicContact CG-CB 4.37Å; W281-W327 HydrophobicContact CB-CE3 4.08Å; W281-W327 HydrophobicContact CB-CH2 4.12Å; W281-W327 HydrophobicContact CB-CZ3 3.8Å; W281-W327 AromaticContact CE3-CD1 3.83Å; W281-W327 AromaticContact CE3-CD2 3.64Å; W281-W327 HydrophobicContact CE3-CD2 3.64Å; W281-W327 AromaticContact CE3-CE2 3.53Å; W281-W327 HydrophobicContact CE3-CE3 4.21Å; W281-W327 AromaticContact CE3-CG 3.84Å; W281-W327 HydrophobicContact CE3-CG 3.84Å; W281-W327 HydrophobicContact CE3-CZ2 4.04Å; W281-W327 AromaticContact CE3-NE1 3.63Å; W281-W327 AromaticContact CZ3-CD1 3.66Å; W281-W327 HydrophobicContact CZ3-CD2 4.27Å; W281-W327 AromaticContact CZ3-CE2 3.98Å; W281-W327 HydrophobicContact CZ3-CG 4.08Å; W281-W327 AromaticContact CZ3-NE1 3.58Å
328	V	89.9	Confident	79.4	Confident	59 Å²	59	70.1 Å²	70.1	36%	0.358	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123	178.4	178.2	0	0	0	0	109.1	Y279 V280 S282 D326	Y279-V328 CarbonylContact C-O 3.28Å; Y279-V328 VanDerWaalsContact CA-O 3.3Å; Y279-V328 WeakPolarHBondContact CA-O 3.28Å; V280-V328 PolarHBondContact N-O 3.32Å; V280-V328 PolarHBondContact O-N 2.83Å; V280-V328 VanDerWaalsContact O-N 3.09Å; S282-V328 VanDerWaalsContact OG-CG2 3.24Å; S282-V328 WeakPolarHBondContact OG-CG2 3.46Å; D326-V328 PolarHBondContact O-N 2.83Å
329	R	89.8	Confident	81.7	Confident	113 Å²	113	65.1 Å²	65.1	43%	0.426	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128.1	173	-178.1	178.6	171.6	-158.7	-6.7	109.3	I278 Y279 N331	I278-R329 VanDerWaalsContact O-CA 3.32Å; I278-R329 WeakPolarHBondContact O-CA 3.45Å; Y279-R329 HydrophobicContact CD1-CB 3.87Å; Y279-R329 HydrophobicContact CE1-CB 3.83Å; R329-N331 WeakPolarHBondContact CG-OD1 3.46Å; R329-N331 PolarHBondContact NE-O 2.69Å; R329-N331 PolarHBondContact NE-OD1 2.7Å; R329-N331 PolarHBondContact NH2-O 2.8Å
330	V	87.9	Confident	83.2	Confident	26 Å²	26	68.5 Å²	68.5	16%	0.158	34%	0.336	C	S	.	.			trans	-93	-48.2	180	-176.7	0	0	0	0	111.1	K264 V267 K268 I278 V280 A332	K264-V330 HydrophobicContact CB-CG1 4.39Å; K264-V330 HydrophobicContact CG-CG2 4.08Å; V267-V330 HydrophobicContact CB-CG1 4.22Å; V267-V330 HydrophobicContact CG1-CB 3.9Å; V267-V330 HydrophobicContact CG1-CG1 3.79Å; V267-V330 HydrophobicContact CG1-CG2 4.46Å; K268-V330 HydrophobicContact CG-CG1 4.2Å; I278-V330 PolarHBondContact O-N 2.8Å; V280-V330 HydrophobicContact CB-CG2 4.01Å; V280-V330 HydrophobicContact CG2-CG2 3.57Å; V330-A332 VanDerWaalsContact C-N 3.28Å; V330-A332 PolarHBondContact O-N 2.98Å
331	N	85.1	Confident	84.9	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.011	34%	0.336	C	S	.	.			trans	-75.1	70.5	-178.8	70	-25.2	0	0	0	112.7	Q272 I274 F276 I278 R329	Q272-N331 WeakPolarHBondContact O-CB 3.48Å; I274-N331 PolarHBondContact O-ND2 3.45Å; F276-N331 PolarHBondContact O-ND2 3.5Å; I278-N331 PolarHBondContact N-OD1 2.9Å; R329-N331 WeakPolarHBondContact CG-OD1 3.46Å; R329-N331 PolarHBondContact NE-O 2.69Å; R329-N331 PolarHBondContact NE-OD1 2.7Å; R329-N331 PolarHBondContact NH2-O 2.8Å
332	A	75.7	Confident	86	Confident	67 Å²	67	68 Å²	68	55%	0.554	34%	0.343	S	S	*	.			trans	-70.6	-37	-179.8	0	0	0	0	0	113.1	V330	V330-A332 VanDerWaalsContact C-N 3.28Å; V330-A332 PolarHBondContact O-N 2.98Å
333	N	77.9	Confident	86.7	Confident	43 Å²	43	69.5 Å²	69.5	23%	0.23	35%	0.351	C	S	.	.			trans	-71	173.9	-174.7	-66.3	1.2	0	0	0	111.9	Q272 F273 A355	Q272-N333 HydrophobicContact CG-CB 4.25Å; Q272-N333 PolarHBondContact NE2-ND2 2.87Å; Q272-N333 VanDerWaalsContact NE2-ND2 3.14Å; F273-N333 HydrophobicContact CE1-CB 3.97Å; N333-A355 WeakPolarHBondContact ND2-CB 3.38Å
334	K	81	Confident	87.3	Confident	128 Å²	128	65.9 Å²	65.9	56%	0.557	33%	0.33	S	S	*	.			trans	-138.8	144.4	179.8	-62	175.9	-171.6	163.4	0	109.8	I336	K334-I336 PolarHBondContact O-N 3.41Å
335	P	85.5	Confident	87.6	Confident	24 Å²	24	67.5 Å²	67.5	16%	0.156	34%	0.34	C	S	.	.			trans	-66.4	99.3	170.4	28.4	-34.7	0	0	0	109.3	W337 R408	P335-W337 HydrophobicContact CB-CD2 4.12Å; P335-W337 HydrophobicContact CB-CE3 4.49Å; P335-W337 HydrophobicContact CB-CH2 4.1Å; P335-W337 HydrophobicContact CB-CZ2 3.63Å; P335-W337 HydrophobicContact CB-CZ3 4.47Å; P335-R408 HydrophobicContact CB-CG 4.44Å
336	I	89.6	Confident	87.8	Confident	7 Å²	7	66.4 Å²	66.4	4%	0.036	34%	0.344	C	S	.	.			trans	-84.1	-16.4	178.6	52.8	160.3	0	0	0	112.9	K334 R339 V344 Y349 L352 H368 I380	K334-I336 PolarHBondContact O-N 3.41Å; I336-R339 WeakPolarHBondContact O-CB 3.44Å; I336-R339 PolarHBondContact O-N 2.95Å; I336-V344 HydrophobicContact CB-CG1 4.2Å; I336-V344 HydrophobicContact CB-CG2 4.38Å; I336-V344 HydrophobicContact CD1-CG1 4.13Å; I336-V344 HydrophobicContact CG2-CG1 4.35Å; I336-Y349 HydrophobicContact CD1-CD1 3.78Å; I336-Y349 HydrophobicContact CD1-CE1 4.24Å; I336-Y349 HydrophobicContact CD1-CG 4.19Å; I336-L352 HydrophobicContact CD1-CB 4.07Å; I336-L352 HydrophobicContact CD1-CD2 3.73Å; I336-L352 HydrophobicContact CG1-CD2 3.68Å; I336-H368 PolarHBondContact O-CE1 2.85Å; I336-I380 HydrophobicContact CD1-CD1 3.84Å; I336-I380 HydrophobicContact CG1-CD1 3.7Å
337	W	89.9	Confident	87.8	Confident	4 Å²	4	70.7 Å²	70.7	2%	0.015	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-33.7	176.1	53	93.5	0	0	0	113.5	F273 P335 R339 L352 H368 I380 I429 D431	F273-W337 HydrophobicContact CB-CH2 4.18Å; F273-W337 HydrophobicContact CB-CZ2 4.22Å; F273-W337 AromaticContact CD1-CH2 3.38Å; F273-W337 HydrophobicContact CD1-CH2 3.38Å; F273-W337 HydrophobicContact CD1-CZ2 4.19Å; F273-W337 HydrophobicContact CD1-CZ3 4Å; F273-W337 AromaticContact CD2-CH2 3.67Å; F273-W337 HydrophobicContact CD2-CH2 3.67Å; F273-W337 HydrophobicContact CD2-CZ2 4.31Å; F273-W337 AromaticContact CE1-CH2 3.53Å; F273-W337 HydrophobicContact CE1-CH2 3.53Å; F273-W337 AromaticContact CE1-CZ3 3.77Å; F273-W337 HydrophobicContact CE1-CZ3 3.77Å; F273-W337 AromaticContact CE2-CH2 3.8Å; F273-W337 HydrophobicContact CE2-CH2 3.8Å; F273-W337 AromaticContact CG-CH2 3.44Å; F273-W337 HydrophobicContact CG-CH2 3.44Å; F273-W337 VanDerWaalsContact CG-CH2 3.44Å; F273-W337 AromaticContact CG-CZ2 3.97Å; F273-W337 HydrophobicContact CG-CZ2 3.97Å; F273-W337 HydrophobicContact CG-CZ3 4.46Å; F273-W337 AromaticContact CZ-CH2 3.74Å; F273-W337 HydrophobicContact CZ-CH2 3.74Å; F273-W337 HydrophobicContact CZ-CZ3 4.05Å; P335-W337 HydrophobicContact CB-CD2 4.12Å; P335-W337 HydrophobicContact CB-CE3 4.49Å; P335-W337 HydrophobicContact CB-CH2 4.1Å; P335-W337 HydrophobicContact CB-CZ2 3.63Å; P335-W337 HydrophobicContact CB-CZ3 4.47Å; W337-R339 PolarHBondContact O-N 3.21Å; W337-L352 HydrophobicContact CE3-CD2 4.34Å; W337-L352 HydrophobicContact CZ3-CD2 4.14Å; W337-H368 WeakPolarHBondContact CA-NE2 3.36Å; W337-H368 PolarHBondContact O-NE2 3.1Å; W337-H368 VanDerWaalsContact O-NE2 3.08Å; W337-I380 HydrophobicContact CB-CD1 3.81Å; W337-I380 HydrophobicContact CB-CG1 3.96Å; W337-I380 HydrophobicContact CE3-CD1 4.5Å; W337-I429 HydrophobicContact CD2-CG2 4.2Å; W337-I429 HydrophobicContact CE3-CD1 4.42Å; W337-I429 HydrophobicContact CE3-CG2 4.09Å; W337-I429 HydrophobicContact CH2-CD1 4.07Å; W337-I429 HydrophobicContact CH2-CG2 4Å; W337-I429 HydrophobicContact CZ2-CG2 4.17Å; W337-I429 HydrophobicContact CZ3-CD1 3.68Å; W337-I429 HydrophobicContact CZ3-CG2 3.99Å; W337-D431 PolarHBondContact NE1-OD2 3.16Å
338	K	86.6	Confident	87.8	Confident	58 Å²	58	68.9 Å²	68.9	25%	0.252	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	1.9	171.1	-59.3	-69.2	-179.4	175.4	0	113.3	D431 D433	K338-D431 WeakPolarHBondContact CE-OD2 3.39Å; K338-D431 PolarHBondContact NZ-O 3.25Å; K338-D431 IonicContact NZ-OD2 2.63Å; K338-D433 IonicContact NZ-OD1 3.7Å; K338-D433 PolarHBondContact NZ-OD1 3.32Å; K338-D433 IonicContact NZ-OD2 2.71Å; K338-D433 PolarHBondContact NZ-OD2 2.81Å
339	R	89.3	Confident	87.9	Confident	75 Å²	75	66.9 Å²	66.9	28%	0.283	34%	0.34	S	S	.	.	S	Bend	trans	-95.9	151.7	168.7	-72.8	163.5	60.9	-177.5	-2.6	109	I336 W337 D343 V344 E348 H368	I336-R339 WeakPolarHBondContact O-CB 3.44Å; I336-R339 PolarHBondContact O-N 2.95Å; W337-R339 PolarHBondContact O-N 3.21Å; R339-D343 PolarHBondContact NH2-O 2.71Å; R339-V344 HydrophobicContact CB-CG2 3.75Å; R339-E348 IonicContact CZ-OE1 3.85Å; R339-E348 VanDerWaalsContact CZ-OE1 3.3Å; R339-E348 IonicContact CZ-OE2 3.37Å; R339-E348 IonicContact NH1-OE1 3.92Å; R339-E348 PolarHBondContact NH1-OE1 3.14Å; R339-E348 IonicContact NH1-OE2 3.12Å; R339-E348 IonicContact NH2-OE1 3.64Å; R339-E348 PolarHBondContact NH2-OE1 2.93Å; R339-E348 IonicContact NH2-OE2 3.35Å; R339-E348 PolarHBondContact NH2-OE2 3.26Å; R339-E348 VanDerWaalsContact NH2-OE2 3.07Å; R339-H368 PolarHBondContact O-CE1 2.94Å
340	K	88.6	Confident	88	Confident	148 Å²	148	62.9 Å²	62.9	64%	0.643	33%	0.328	S	S	*	.			trans	-65.3	138	174.5	-58.1	-164.4	176.9	-155.6	0	109.6	T342 D343	K340-T342 PolarHBondContact O-N 2.7Å; K340-D343 PolarHBondContact O-N 3.23Å
341	P	90.3	Very high	88	Confident	64 Å²	64	67.7 Å²	67.7	42%	0.416	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-51.2	-34.7	179.1	-26.3	30.8	0	0	0	113.4	D343 V344 H368	P341-D343 PolarHBondContact O-N 2.8Å; P341-V344 PolarHBondContact O-N 2.81Å; P341-H368 HydrophobicContact CB-CB 4.48Å; P341-H368 HydrophobicContact CG-CB 4.31Å
342	T	90.5	Very high	88.1	Confident	127 Å²	127	68 Å²	68	78%	0.779	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-65.7	-19.1	177.7	53.3	0	0	0	0	115.5	K340	K340-T342 PolarHBondContact O-N 2.7Å
343	D	91.6	Very high	88.8	Confident	107 Å²	107	65 Å²	65	57%	0.572	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-100.6	-2.7	-179.1	-67.2	-45.7	0	0	0	112.7	R339 K340 P341	R339-D343 PolarHBondContact NH2-O 2.71Å; K340-D343 PolarHBondContact O-N 3.23Å; P341-D343 PolarHBondContact O-N 2.8Å
344	V	91.7	Very high	89.2	Confident	14 Å²	14	67.2 Å²	67.2	9%	0.085	33%	0.329	C	S	.	.			trans	-102.4	136.9	178.6	-171.2	0	0	0	0	109.5	I336 R339 P341 E348 Y349	I336-V344 HydrophobicContact CB-CG1 4.2Å; I336-V344 HydrophobicContact CB-CG2 4.38Å; I336-V344 HydrophobicContact CD1-CG1 4.13Å; I336-V344 HydrophobicContact CG2-CG1 4.35Å; R339-V344 HydrophobicContact CB-CG2 3.75Å; P341-V344 PolarHBondContact O-N 2.81Å; V344-E348 HydrophobicContact CG1-CB 3.9Å; V344-Y349 HydrophobicContact CB-CD2 4.36Å; V344-Y349 HydrophobicContact CB-CE2 3.66Å; V344-Y349 HydrophobicContact CG1-CD2 3.62Å; V344-Y349 HydrophobicContact CG1-CE1 4.46Å; V344-Y349 HydrophobicContact CG1-CE2 3.4Å; V344-Y349 HydrophobicContact CG1-CG 4.27Å
345	T	91.9	Very high	89.2	Confident	75 Å²	75	62.9 Å²	62.9	46%	0.46	32%	0.318	S	S	.	.			trans	-96.8	150.5	178.5	60.2	0	0	0	0	111.8	K347 E348 Y349	T345-K347 PolarHBondContact O-N 2.65Å; T345-E348 PolarHBondContact N-OE2 3.11Å; T345-E348 WeakPolarHBondContact O-CB 3.37Å; T345-E348 PolarHBondContact O-N 3.43Å; T345-E348 WeakPolarHBondContact OG1-CG 3.42Å; T345-E348 PolarHBondContact OG1-OE2 3.15Å; T345-Y349 WeakPolarHBondContact O-CD2 3.48Å; T345-Y349 PolarHBondContact O-N 2.8Å
346	D	91.1	Very high	89	Confident	106 Å²	106	63.1 Å²	63.1	57%	0.567	32%	0.316	S	S	*	.	H	α-helix	trans	-50.6	-32.8	178.5	-61.1	-69.7	0	0	0	113.6	Y349 N350 K366	D346-Y349 PolarHBondContact O-N 2.74Å; D346-N350 PolarHBondContact O-N 2.67Å; D346-N350 PolarHBondContact O-OD1 3.39Å; D346-K366 WeakPolarHBondContact OD1-CE 3.34Å; D346-K366 IonicContact OD1-NZ 3.31Å; D346-K366 PolarHBondContact OD1-NZ 2.68Å
347	K	90.1	Very high	88.5	Confident	152 Å²	152	63.7 Å²	63.7	66%	0.661	32%	0.321	S	S	*	.	H	α-helix	trans	-66.2	-38.1	175.8	-70.3	176.9	167.4	-80.4	0	113.1	T345 Y349 N350 E351	T345-K347 PolarHBondContact O-N 2.65Å; K347-Y349 VanDerWaalsContact C-N 3.3Å; K347-N350 PolarHBondContact O-N 2.94Å; K347-E351 WeakPolarHBondContact O-CB 3.27Å; K347-E351 WeakPolarHBondContact O-CG 3.41Å; K347-E351 PolarHBondContact O-N 2.97Å
348	E	89.9	Confident	88	Confident	48 Å²	48	70.3 Å²	70.3	22%	0.224	36%	0.356	C	S	.	.	H	α-helix	trans	-70	-30.2	177.1	-67.6	168.8	111.6	0	0	111.6	R339 V344 T345 L352	R339-E348 IonicContact CZ-OE1 3.85Å; R339-E348 VanDerWaalsContact CZ-OE1 3.3Å; R339-E348 IonicContact CZ-OE2 3.37Å; R339-E348 IonicContact NH1-OE1 3.92Å; R339-E348 PolarHBondContact NH1-OE1 3.14Å; R339-E348 IonicContact NH1-OE2 3.12Å; R339-E348 IonicContact NH2-OE1 3.64Å; R339-E348 PolarHBondContact NH2-OE1 2.93Å; R339-E348 IonicContact NH2-OE2 3.35Å; R339-E348 PolarHBondContact NH2-OE2 3.26Å; R339-E348 VanDerWaalsContact NH2-OE2 3.07Å; V344-E348 HydrophobicContact CG1-CB 3.9Å; T345-E348 PolarHBondContact N-OE2 3.11Å; T345-E348 WeakPolarHBondContact O-CB 3.37Å; T345-E348 PolarHBondContact O-N 3.43Å; T345-E348 WeakPolarHBondContact OG1-CG 3.42Å; T345-E348 PolarHBondContact OG1-OE2 3.15Å; E348-L352 PolarHBondContact O-N 3Å; E348-L352 VanDerWaalsContact O-N 3.15Å
349	Y	92.9	Very high	87.7	Confident	16 Å²	16	70.7 Å²	70.7	6%	0.063	36%	0.361	C	S	.	.	H	α-helix	trans	-69.1	-50.9	170.3	-73.6	-81.6	0	0	0	111.8	I336 V344 T345 D346 K347 E351 L352 F353 K366 H368 I380 Y382	I336-Y349 HydrophobicContact CD1-CD1 3.78Å; I336-Y349 HydrophobicContact CD1-CE1 4.24Å; I336-Y349 HydrophobicContact CD1-CG 4.19Å; V344-Y349 HydrophobicContact CB-CD2 4.36Å; V344-Y349 HydrophobicContact CB-CE2 3.66Å; V344-Y349 HydrophobicContact CG1-CD2 3.62Å; V344-Y349 HydrophobicContact CG1-CE1 4.46Å; V344-Y349 HydrophobicContact CG1-CE2 3.4Å; V344-Y349 HydrophobicContact CG1-CG 4.27Å; T345-Y349 WeakPolarHBondContact O-CD2 3.48Å; T345-Y349 PolarHBondContact O-N 2.8Å; D346-Y349 PolarHBondContact O-N 2.74Å; K347-Y349 VanDerWaalsContact C-N 3.3Å; Y349-E351 VanDerWaalsContact C-N 3.32Å; Y349-E351 PolarHBondContact O-N 3.21Å; Y349-L352 WeakPolarHBondContact O-CA 3.48Å; Y349-L352 WeakPolarHBondContact O-CB 3.13Å; Y349-L352 PolarHBondContact O-N 3.16Å; Y349-F353 PolarHBondContact O-N 3.26Å; Y349-K366 HydrophobicContact CD1-CD 3.7Å; Y349-K366 HydrophobicContact CD2-CD 4Å; Y349-K366 VanDerWaalsContact CD2-CE 3.45Å; Y349-K366 HydrophobicContact CE1-CD 4.25Å; Y349-K366 HydrophobicContact CG-CD 3.53Å; Y349-H368 HydrophobicContact CE1-CB 3.96Å; Y349-H368 AromaticContact CE1-ND1 3.94Å; Y349-H368 AromaticContact CZ-ND1 3.73Å; Y349-H368 VanDerWaalsContact OH-CB 3.26Å; Y349-H368 WeakPolarHBondContact OH-CB 3.46Å; Y349-H368 PolarHBondContact OH-ND1 3.32Å; Y349-I380 HydrophobicContact CD1-CD1 4.32Å; Y349-I380 HydrophobicContact CD1-CG2 4.15Å; Y349-I380 HydrophobicContact CE1-CD1 3.89Å; Y349-I380 HydrophobicContact CE1-CG1 4.34Å; Y349-I380 HydrophobicContact CE1-CG2 4.08Å; Y349-Y382 HydrophobicContact CD1-CE1 4.4Å; Y349-Y382 PolarHBondContact O-OH 2.81Å
350	N	91.6	Very high	87.4	Confident	30 Å²	30	74 Å²	74	16%	0.16	39%	0.385	C	S	.	.	H	α-helix	trans	-64.3	-37.7	179.3	-64.3	24.6	0	0	0	111.4	D346 K347 L352 F353 R354 D362	D346-N350 PolarHBondContact O-N 2.67Å; D346-N350 PolarHBondContact O-OD1 3.39Å; K347-N350 PolarHBondContact O-N 2.94Å; N350-L352 VanDerWaalsContact C-N 3.27Å; N350-L352 PolarHBondContact O-N 2.8Å; N350-F353 PolarHBondContact O-N 2.8Å; N350-R354 WeakPolarHBondContact O-CB 3.31Å; N350-R354 WeakPolarHBondContact O-CD 3.34Å; N350-R354 WeakPolarHBondContact O-CG 3.49Å; N350-R354 PolarHBondContact O-N 2.64Å; N350-D362 WeakPolarHBondContact ND2-CB 3.28Å; N350-D362 PolarHBondContact ND2-OD1 2.78Å
351	E	87.3	Confident	87.4	Confident	126 Å²	126	70.7 Å²	70.7	59%	0.589	37%	0.374	S	S	*	.	H	α-helix	trans	-65.8	-24.2	172.7	-75.1	169.5	-158.8	0	0	113	K347 Y349 A355	K347-E351 WeakPolarHBondContact O-CB 3.27Å; K347-E351 WeakPolarHBondContact O-CG 3.41Å; K347-E351 PolarHBondContact O-N 2.97Å; Y349-E351 VanDerWaalsContact C-N 3.32Å; Y349-E351 PolarHBondContact O-N 3.21Å; E351-A355 WeakPolarHBondContact O-CB 3.06Å
352	L	87.4	Confident	87.4	Confident	9 Å²	9	70.6 Å²	70.6	5%	0.047	37%	0.37	C	S	.	.	H	α-helix	trans	-76.7	-52.2	168.2	178.7	64.3	0	0	0	110.9	F273 I336 W337 E348 Y349 N350 R354 A355 Y356 I429	F273-L352 HydrophobicContact CE1-CD1 3.99Å; F273-L352 HydrophobicContact CZ-CD1 3.93Å; I336-L352 HydrophobicContact CD1-CB 4.07Å; I336-L352 HydrophobicContact CD1-CD2 3.73Å; I336-L352 HydrophobicContact CG1-CD2 3.68Å; W337-L352 HydrophobicContact CE3-CD2 4.34Å; W337-L352 HydrophobicContact CZ3-CD2 4.14Å; E348-L352 PolarHBondContact O-N 3Å; E348-L352 VanDerWaalsContact O-N 3.15Å; Y349-L352 WeakPolarHBondContact O-CA 3.48Å; Y349-L352 WeakPolarHBondContact O-CB 3.13Å; Y349-L352 PolarHBondContact O-N 3.16Å; N350-L352 VanDerWaalsContact C-N 3.27Å; N350-L352 PolarHBondContact O-N 2.8Å; L352-R354 PolarHBondContact O-N 3.33Å; L352-A355 CarbonylContact O-C 3.11Å; L352-A355 WeakPolarHBondContact O-CA 3.42Å; L352-A355 PolarHBondContact O-N 2.75Å; L352-Y356 VanDerWaalsContact O-CB 3.28Å; L352-Y356 WeakPolarHBondContact O-CB 3.34Å; L352-Y356 PolarHBondContact O-N 3.13Å; L352-Y356 VanDerWaalsContact O-N 3.12Å; L352-I429 HydrophobicContact CD1-CD1 4.47Å; L352-I429 HydrophobicContact CD2-CD1 4.22Å
353	F	89.8	Confident	87.5	Confident	3 Å²	3	65.5 Å²	65.5	1%	0.013	34%	0.339	C	S	.	.	H	α-helix	trans	-53	-52.6	-178.4	178.2	-96.7	0	0	0	112.2	Y349 N350 A355 Y356 S357 D359 P363 Y382 P384 F427	Y349-F353 PolarHBondContact O-N 3.26Å; N350-F353 PolarHBondContact O-N 2.8Å; F353-A355 PolarHBondContact O-N 2.96Å; F353-A355 VanDerWaalsContact O-N 3.12Å; F353-Y356 WeakPolarHBondContact O-CA 3.38Å; F353-Y356 WeakPolarHBondContact O-CB 3.38Å; F353-Y356 PolarHBondContact O-N 2.75Å; F353-S357 WeakPolarHBondContact CE1-OG 3.48Å; F353-S357 WeakPolarHBondContact CZ-OG 3.44Å; F353-S357 PolarHBondContact O-N 2.96Å; F353-S357 PolarHBondContact O-OG 2.93Å; F353-D359 HydrophobicContact CE1-CB 3.95Å; F353-D359 WeakPolarHBondContact CE1-OD2 3.16Å; F353-D359 WeakPolarHBondContact CZ-OD2 3.12Å; F353-P363 HydrophobicContact CB-CG 4.24Å; F353-P363 HydrophobicContact CD1-CB 4.15Å; F353-P363 HydrophobicContact CD1-CG 4.14Å; F353-P363 HydrophobicContact CD2-CB 4.06Å; F353-P363 HydrophobicContact CD2-CG 4.34Å; F353-P363 HydrophobicContact CE1-CB 4.23Å; F353-P363 HydrophobicContact CE2-CB 4.15Å; F353-P363 HydrophobicContact CG-CB 4.07Å; F353-P363 HydrophobicContact CG-CG 3.96Å; F353-P363 HydrophobicContact CZ-CB 4.24Å; F353-Y382 HydrophobicContact CB-CD1 4.32Å; F353-Y382 HydrophobicContact CB-CE1 4.12Å; F353-Y382 HydrophobicContact CD2-CD1 4Å; F353-Y382 HydrophobicContact CD2-CD2 4Å; F353-Y382 AromaticContact CD2-CG 3.68Å; F353-Y382 HydrophobicContact CD2-CG 3.68Å; F353-Y382 HydrophobicContact CE2-CG 4.37Å; F353-Y382 HydrophobicContact CG-CD1 4.45Å; F353-P384 HydrophobicContact CZ-CB 4.2Å; F353-F427 HydrophobicContact CE2-CB 4.2Å; F353-F427 HydrophobicContact CE2-CG 4.46Å
354	R	87.1	Confident	87.5	Confident	90 Å²	90	61.3 Å²	61.3	34%	0.34	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.8	177	-64.4	158.2	170.4	-87.2	-9.6	114.7	N350 L352 D359 N360 D361 D362	N350-R354 WeakPolarHBondContact O-CB 3.31Å; N350-R354 WeakPolarHBondContact O-CD 3.34Å; N350-R354 WeakPolarHBondContact O-CG 3.49Å; N350-R354 PolarHBondContact O-N 2.64Å; L352-R354 PolarHBondContact O-N 3.33Å; R354-D359 WeakPolarHBondContact CA-O 3.28Å; R354-D359 WeakPolarHBondContact CB-O 3.49Å; R354-D359 WeakPolarHBondContact CG-O 3.5Å; R354-N360 PolarHBondContact NH1-O 2.81Å; R354-N360 PolarHBondContact NH2-O 2.89Å; R354-D361 VanDerWaalsContact CG-O 3.22Å; R354-D361 WeakPolarHBondContact CG-O 3.37Å; R354-D361 PolarHBondContact NE-O 2.92Å; R354-D362 IonicContact CZ-OD1 2.69Å; R354-D362 IonicContact NE-OD1 3.56Å; R354-D362 PolarHBondContact NE-OD1 3.14Å; R354-D362 VanDerWaalsContact NH2-CG 3.31Å; R354-D362 IonicContact NH2-OD1 2.63Å; R354-D362 PolarHBondContact NH2-OD1 2.76Å; R354-D362 IonicContact NH2-OD2 3.84Å
355	A	81.2	Confident	87.6	Confident	38 Å²	38	61.2 Å²	61.2	31%	0.314	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	14.6	177.1	0	0	0	0	0	111.9	N333 E351 L352 F353	N333-A355 WeakPolarHBondContact ND2-CB 3.38Å; E351-A355 WeakPolarHBondContact O-CB 3.06Å; L352-A355 CarbonylContact O-C 3.11Å; L352-A355 WeakPolarHBondContact O-CA 3.42Å; L352-A355 PolarHBondContact O-N 2.75Å; F353-A355 PolarHBondContact O-N 2.96Å; F353-A355 VanDerWaalsContact O-N 3.12Å
356	Y	81.4	Confident	87.7	Confident	28 Å²	28	60.8 Å²	60.8	11%	0.11	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-62.4	-177.4	177.3	-117.3	0	0	0	111	L352 F353 N358 R401 K403 F427 G428	L352-Y356 VanDerWaalsContact O-CB 3.28Å; L352-Y356 WeakPolarHBondContact O-CB 3.34Å; L352-Y356 PolarHBondContact O-N 3.13Å; L352-Y356 VanDerWaalsContact O-N 3.12Å; F353-Y356 WeakPolarHBondContact O-CA 3.38Å; F353-Y356 WeakPolarHBondContact O-CB 3.38Å; F353-Y356 PolarHBondContact O-N 2.75Å; Y356-N358 PolarHBondContact O-N 3.12Å; Y356-R401 PolarHBondContact OH-O 2.99Å; Y356-K403 HydrophobicContact CE2-CD 3.88Å; Y356-K403 HydrophobicContact CE2-CG 3.63Å; Y356-K403 VanDerWaalsContact OH-CG 3.25Å; Y356-K403 WeakPolarHBondContact OH-CG 3.19Å; Y356-K403 PolarHBondContact OH-N 3.39Å; Y356-F427 HydrophobicContact CD1-CB 4.43Å; Y356-F427 HydrophobicContact CD1-CD1 4.25Å; Y356-F427 HydrophobicContact CE1-CB 4.02Å; Y356-F427 AromaticContact CE1-CD1 3.83Å; Y356-F427 HydrophobicContact CE1-CD1 3.83Å; Y356-F427 HydrophobicContact CE1-CG 4.43Å; Y356-G428 PolarHBondContact OH-O 3.21Å
357	S	78.9	Confident	87.8	Confident	20 Å²	20	56.8 Å²	56.8	14%	0.14	29%	0.287	C	S	.	.	S	Bend	trans	-79.9	4.2	175.4	62.7	0	0	0	0	114	F353 D359	F353-S357 WeakPolarHBondContact CE1-OG 3.48Å; F353-S357 WeakPolarHBondContact CZ-OG 3.44Å; F353-S357 PolarHBondContact O-N 2.96Å; F353-S357 PolarHBondContact O-OG 2.93Å; S357-D359 VanDerWaalsContact CB-OD2 3.25Å; S357-D359 WeakPolarHBondContact CB-OD2 3.37Å; S357-D359 PolarHBondContact O-N 2.91Å; S357-D359 WeakPolarHBondContact OG-CB 3.34Å; S357-D359 VanDerWaalsContact OG-CG 3.29Å; S357-D359 PolarHBondContact OG-OD2 3.21Å
358	N	78.8	Confident	88	Confident	142 Å²	142	50.8 Å²	50.8	76%	0.759	26%	0.261	S	S	*	.			trans	58.2	-5.4	-169.3	-60.4	-52.6	0	0	0	116.3	Y356	Y356-N358 PolarHBondContact O-N 3.12Å
359	D	79.7	Confident	88.2	Confident	66 Å²	66	49.8 Å²	49.8	35%	0.353	26%	0.256	S	S	.	.			trans	-54	141.7	177.8	-72.1	-52.3	0	0	0	114	F353 R354 S357 D361	F353-D359 HydrophobicContact CE1-CB 3.95Å; F353-D359 WeakPolarHBondContact CE1-OD2 3.16Å; F353-D359 WeakPolarHBondContact CZ-OD2 3.12Å; R354-D359 WeakPolarHBondContact CA-O 3.28Å; R354-D359 WeakPolarHBondContact CB-O 3.49Å; R354-D359 WeakPolarHBondContact CG-O 3.5Å; S357-D359 VanDerWaalsContact CB-OD2 3.25Å; S357-D359 WeakPolarHBondContact CB-OD2 3.37Å; S357-D359 PolarHBondContact O-N 2.91Å; S357-D359 WeakPolarHBondContact OG-CB 3.34Å; S357-D359 VanDerWaalsContact OG-CG 3.29Å; S357-D359 PolarHBondContact OG-OD2 3.21Å; D359-D361 PolarHBondContact O-N 2.95Å
360	N	83.9	Confident	88	Confident	146 Å²	146	51.8 Å²	51.8	78%	0.781	27%	0.273	S	S	*	.	S	Bend	trans	-82.4	2.3	168	-80.5	-83.2	0	0	0	113.5	R354	R354-N360 PolarHBondContact NH1-O 2.81Å; R354-N360 PolarHBondContact NH2-O 2.89Å
361	D	87.4	Confident	87.7	Confident	77 Å²	77	50.8 Å²	50.8	41%	0.412	27%	0.269	S	S	.	.	S	Bend	trans	-108.8	170.6	-169.7	-137.2	-28.8	0	0	0	114.1	R354 D359 K385	R354-D361 VanDerWaalsContact CG-O 3.22Å; R354-D361 WeakPolarHBondContact CG-O 3.37Å; R354-D361 PolarHBondContact NE-O 2.92Å; D359-D361 PolarHBondContact O-N 2.95Å; D361-K385 IonicContact OD1-NZ 3.99Å; D361-K385 PolarHBondContact OD1-NZ 2.92Å; D361-K385 IonicContact OD2-NZ 2.7Å; D361-K385 PolarHBondContact OD2-NZ 3.12Å; D361-K385 VanDerWaalsContact OD2-NZ 3.1Å
362	D	91	Very high	87.2	Confident	63 Å²	63	52.6 Å²	52.6	34%	0.337	28%	0.278	S	S	.	.			trans	-93.3	139.7	174.1	-67.9	-34.1	0	0	0	110.7	N350 R354 K385	N350-D362 WeakPolarHBondContact ND2-CB 3.28Å; N350-D362 PolarHBondContact ND2-OD1 2.78Å; R354-D362 IonicContact CZ-OD1 2.69Å; R354-D362 IonicContact NE-OD1 3.56Å; R354-D362 PolarHBondContact NE-OD1 3.14Å; R354-D362 VanDerWaalsContact NH2-CG 3.31Å; R354-D362 IonicContact NH2-OD1 2.63Å; R354-D362 PolarHBondContact NH2-OD1 2.76Å; R354-D362 IonicContact NH2-OD2 3.84Å; D362-K385 VanDerWaalsContact O-CE 3.24Å; D362-K385 WeakPolarHBondContact O-CE 3.47Å; D362-K385 PolarHBondContact O-NZ 2.89Å
363	P	92.5	Very high	86.6	Confident	20 Å²	20	54.3 Å²	54.3	13%	0.13	30%	0.298	C	S	.	.			trans	-68.2	152.1	-179.8	28.3	-34.2	0	0	0	112.2	F353 Y382	F353-P363 HydrophobicContact CB-CG 4.24Å; F353-P363 HydrophobicContact CD1-CB 4.15Å; F353-P363 HydrophobicContact CD1-CG 4.14Å; F353-P363 HydrophobicContact CD2-CB 4.06Å; F353-P363 HydrophobicContact CD2-CG 4.34Å; F353-P363 HydrophobicContact CE1-CB 4.23Å; F353-P363 HydrophobicContact CE2-CB 4.15Å; F353-P363 HydrophobicContact CG-CB 4.07Å; F353-P363 HydrophobicContact CG-CG 3.96Å; F353-P363 HydrophobicContact CZ-CB 4.24Å; P363-Y382 HydrophobicContact CB-CD1 3.99Å; P363-Y382 HydrophobicContact CG-CD1 3.76Å; P363-Y382 HydrophobicContact CG-CE1 4.23Å
364	L	92.3	Very high	85.9	Confident	19 Å²	19	60 Å²	60	10%	0.099	33%	0.328	C	S	.	.	S	Bend	trans	-70.9	-40.3	179.1	-178.5	60.3	0	0	0	112.1	I383 P384 K385 Q472 F476	L364-I383 HydrophobicContact CD2-CG2 4.47Å; L364-I383 PolarHBondContact N-O 2.92Å; L364-P384 WeakPolarHBondContact CB-O 3.38Å; L364-K385 HydrophobicContact CB-CG 4.07Å; L364-Q472 HydrophobicContact CD1-CB 4.18Å; L364-Q472 HydrophobicContact CD1-CG 4.25Å; L364-Q472 PolarHBondContact O-NE2 3.34Å; L364-Q472 VanDerWaalsContact O-NE2 3.12Å; L364-F476 HydrophobicContact CD2-CB 3.93Å; L364-F476 HydrophobicContact CD2-CD2 4.28Å
365	A	93.2	Very high	85.6	Confident	12 Å²	12	56 Å²	56	10%	0.099	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	161.4	-179.4	0	0	0	0	0	111.1	Y382 I383 M464 L468	A365-Y382 WeakPolarHBondContact O-CA 3.23Å; A365-I383 HydrophobicContact CB-CB 3.96Å; A365-I383 HydrophobicContact CB-CD1 3.92Å; A365-I383 HydrophobicContact CB-CG1 3.96Å; A365-I383 PolarHBondContact N-O 3Å; A365-I383 PolarHBondContact O-N 3.03Å; A365-I383 VanDerWaalsContact O-N 3.14Å; A365-M464 HydrophobicContact CB-CG 3.81Å; A365-M464 HydrophobicContact CB-SD 3.84Å; A365-L468 HydrophobicContact CB-CD2 3.93Å
366	K	93.1	Very high	85.8	Confident	66 Å²	66	57.7 Å²	57.7	29%	0.287	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	146.4	168.9	63.3	178.1	-177.7	-71.5	0	111.1	D346 Y349 L381 Y382 M464	D346-K366 WeakPolarHBondContact OD1-CE 3.34Å; D346-K366 IonicContact OD1-NZ 3.31Å; D346-K366 PolarHBondContact OD1-NZ 2.68Å; Y349-K366 HydrophobicContact CD1-CD 3.7Å; Y349-K366 HydrophobicContact CD2-CD 4Å; Y349-K366 VanDerWaalsContact CD2-CE 3.45Å; Y349-K366 HydrophobicContact CE1-CD 4.25Å; Y349-K366 HydrophobicContact CG-CD 3.53Å; K366-L381 CarbonylContact C-O 3.45Å; K366-L381 VanDerWaalsContact CA-O 3.27Å; K366-L381 WeakPolarHBondContact CA-O 3.34Å; K366-Y382 HydrophobicContact CB-CD1 3.62Å; K366-Y382 HydrophobicContact CB-CE1 3.86Å; K366-Y382 HydrophobicContact CD-CE1 4.22Å; K366-M464 VanDerWaalsContact CA-SD 3.59Å
367	I	94.2	Very high	86.2	Confident	21 Å²	21	56.4 Å²	56.4	11%	0.108	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.8	170.2	-168.9	166.9	0	0	0	109.4	F369 I380 L381 K460 M464	I367-F369 HydrophobicContact CG1-CD1 4.39Å; I367-I380 WeakPolarHBondContact O-CA 3.1Å; I367-L381 HydrophobicContact CG2-CB 3.89Å; I367-L381 HydrophobicContact CG2-CD1 4.47Å; I367-L381 HydrophobicContact CG2-CG 4.43Å; I367-L381 PolarHBondContact N-O 2.91Å; I367-L381 PolarHBondContact O-N 3.06Å; I367-K460 HydrophobicContact CD1-CB 4.28Å; I367-K460 HydrophobicContact CD1-CD 3.93Å; I367-M464 HydrophobicContact CB-CB 4.16Å; I367-M464 HydrophobicContact CB-CG 4.36Å; I367-M464 HydrophobicContact CB-SD 3.95Å; I367-M464 HydrophobicContact CD1-CB 4.41Å; I367-M464 HydrophobicContact CG2-CB 4.17Å; I367-M464 HydrophobicContact CG2-CE 3.91Å; I367-M464 HydrophobicContact CG2-CG 4.49Å; I367-M464 HydrophobicContact CG2-SD 3.75Å; I367-M464 PolarHBondContact N-SD 3.26Å
368	H	94.4	Very high	86.8	Confident	27 Å²	27	56.2 Å²	56.2	13%	0.125	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	116.4	177.6	178.2	-173.2	0	0	0	108.2	I336 W337 R339 P341 Y349 S379 I380	I336-H368 PolarHBondContact O-CE1 2.85Å; W337-H368 WeakPolarHBondContact CA-NE2 3.36Å; W337-H368 PolarHBondContact O-NE2 3.1Å; W337-H368 VanDerWaalsContact O-NE2 3.08Å; R339-H368 PolarHBondContact O-CE1 2.94Å; P341-H368 HydrophobicContact CB-CB 4.48Å; P341-H368 HydrophobicContact CG-CB 4.31Å; Y349-H368 HydrophobicContact CE1-CB 3.96Å; Y349-H368 AromaticContact CE1-ND1 3.94Å; Y349-H368 AromaticContact CZ-ND1 3.73Å; Y349-H368 VanDerWaalsContact OH-CB 3.26Å; Y349-H368 WeakPolarHBondContact OH-CB 3.46Å; Y349-H368 PolarHBondContact OH-ND1 3.32Å; H368-S379 PolarHBondContact CD2-O 2.77Å; H368-I380 HydrophobicContact CB-CG1 3.95Å
369	F	93	Very high	87.5	Confident	26 Å²	26	49.4 Å²	49.4	11%	0.114	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	173.1	-177.3	71.8	-80.8	0	0	0	111.3	I367 F377 S379 L381 L457 K460	I367-F369 HydrophobicContact CG1-CD1 4.39Å; F369-F377 AromaticContact CE2-CE2 3.71Å; F369-F377 HydrophobicContact CE2-CE2 3.71Å; F369-F377 HydrophobicContact CE2-CZ 4.06Å; F369-F377 AromaticContact CZ-CE2 3.96Å; F369-F377 HydrophobicContact CZ-CE2 3.96Å; F369-S379 PolarHBondContact N-O 2.91Å; F369-S379 VanDerWaalsContact N-O 3.08Å; F369-S379 PolarHBondContact O-N 3.47Å; F369-S379 VanDerWaalsContact O-O 3.11Å; F369-L381 HydrophobicContact CE1-CD1 4.35Å; F369-L457 HydrophobicContact CZ-CD2 4.01Å; F369-K460 HydrophobicContact CD1-CB 4.2Å; F369-K460 HydrophobicContact CD1-CD 4.07Å; F369-K460 HydrophobicContact CD1-CG 4.01Å; F369-K460 HydrophobicContact CD2-CD 4.15Å; F369-K460 HydrophobicContact CD2-CG 4.07Å; F369-K460 HydrophobicContact CE1-CB 3.72Å; F369-K460 HydrophobicContact CE1-CD 4.33Å; F369-K460 HydrophobicContact CE1-CG 3.76Å; F369-K460 HydrophobicContact CE2-CD 4.42Å; F369-K460 HydrophobicContact CE2-CG 3.83Å; F369-K460 HydrophobicContact CG-CD 3.98Å; F369-K460 HydrophobicContact CG-CG 4.17Å; F369-K460 HydrophobicContact CZ-CB 3.95Å; F369-K460 HydrophobicContact CZ-CG 3.67Å
370	S	90.2	Very high	88.2	Confident	59 Å²	59	46.3 Å²	46.3	41%	0.413	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	141.4	164.7	-125.1	0	0	0	0	108.8	F377 S378	S370-F377 CarbonylContact C-O 2.87Å; S370-F377 WeakPolarHBondContact CA-O 3.25Å; S370-F377 WeakPolarHBondContact CB-O 3.41Å; S370-F377 PolarHBondContact OG-O 2.63Å; S370-S378 WeakPolarHBondContact OG-CA 3.24Å; S370-S378 PolarHBondContact OG-OG 2.71Å
371	G	84.3	Confident	88.7	Confident	8 Å²	8	39.3 Å²	39.3	8%	0.082	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	126.7	159.3	0	0	0	0	0	109	F377	G371-F377 PolarHBondContact N-O 3.13Å; G371-F377 PolarHBondContact O-N 3.41Å
372	E	77.7	Confident	89	Confident	164 Å²	164	35.7 Å²	35.7	77%	0.766	20%	0.201	S	C	*	.			trans	-116.2	147.9	166.3	-66.6	-179.6	-178.5	0	0	107.4	R456	E372-R456 PolarHBondContact O-NH1 2.74Å
373	G	75.2	Confident	89.1	Confident	46 Å²	46	32.7 Å²	32.7	47%	0.474	19%	0.185	S	C	.	.	S	Bend	trans	121.8	-145.7	-169.5	0	0	0	0	0	110.6	V375 L376	G373-V375 VanDerWaalsContact C-N 3.3Å; G373-V375 PolarHBondContact O-N 2.98Å; G373-L376 WeakPolarHBondContact O-CD2 3.16Å
374	D	75.3	Confident	89.1	Confident	122 Å²	122	32 Å²	32	65%	0.652	18%	0.181	S	C	*	.	S	Bend	trans	-64.2	-33.6	-169.4	-29.7	-74.6	0	0	0	112.2	R456	D374-R456 IonicContact OD2-NH2 3.06Å; D374-R456 PolarHBondContact OD2-NH2 3.23Å; D374-R456 VanDerWaalsContact OD2-NH2 3.1Å
375	V	79.5	Confident	89	Confident	6 Å²	6	34 Å²	34	4%	0.036	19%	0.189	C	C	.	.	S	Bend	trans	-114.1	120.3	166.4	-170.6	0	0	0	0	110.2	G373 F377 L435 L449 I453	G373-V375 VanDerWaalsContact C-N 3.3Å; G373-V375 PolarHBondContact O-N 2.98Å; V375-F377 HydrophobicContact CB-CD1 4.22Å; V375-F377 HydrophobicContact CG1-CD1 3.86Å; V375-L435 HydrophobicContact CG1-CD2 4.48Å; V375-L449 HydrophobicContact CG2-CB 3.88Å; V375-L449 HydrophobicContact CG2-CD2 3.74Å; V375-L449 HydrophobicContact CG2-CG 4.21Å; V375-I453 HydrophobicContact CG1-CD1 4.1Å; V375-I453 HydrophobicContact CG1-CG1 4.16Å
376	L	85.6	Confident	88.8	Confident	73 Å²	73	38.5 Å²	38.5	38%	0.382	21%	0.207	S	C	.	.			trans	-92.1	97.6	172.4	-61.6	-169.8	0	0	0	111.5	G373 S432 E434	G373-L376 WeakPolarHBondContact O-CD2 3.16Å; L376-S432 PolarHBondContact O-OG 2.91Å; L376-E434 WeakPolarHBondContact CD1-OE2 3.49Å
377	F	90.4	Very high	88.5	Confident	1 Å²	1	37.6 Å²	37.6	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	154.7	177	70	-87.9	0	0	0	112.7	F369 S370 G371 V375 V430 I453 R456 L457	F369-F377 AromaticContact CE2-CE2 3.71Å; F369-F377 HydrophobicContact CE2-CE2 3.71Å; F369-F377 HydrophobicContact CE2-CZ 4.06Å; F369-F377 AromaticContact CZ-CE2 3.96Å; F369-F377 HydrophobicContact CZ-CE2 3.96Å; S370-F377 CarbonylContact C-O 2.87Å; S370-F377 WeakPolarHBondContact CA-O 3.25Å; S370-F377 WeakPolarHBondContact CB-O 3.41Å; S370-F377 PolarHBondContact OG-O 2.63Å; G371-F377 PolarHBondContact N-O 3.13Å; G371-F377 PolarHBondContact O-N 3.41Å; V375-F377 HydrophobicContact CB-CD1 4.22Å; V375-F377 HydrophobicContact CG1-CD1 3.86Å; F377-V430 HydrophobicContact CB-CG1 4.42Å; F377-V430 HydrophobicContact CD2-CG1 4Å; F377-V430 HydrophobicContact CG-CG1 4.47Å; F377-I453 HydrophobicContact CD1-CG1 4.23Å; F377-I453 HydrophobicContact CE1-CG1 4.06Å; F377-I453 HydrophobicContact CZ-CG2 4.43Å; F377-R456 HydrophobicContact CE1-CB 4.43Å; F377-R456 HydrophobicContact CZ-CB 4Å; F377-L457 HydrophobicContact CE2-CD2 4.41Å
378	S	91.9	Very high	87.7	Confident	16 Å²	16	38.6 Å²	38.6	11%	0.112	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.4	169.8	-57.9	0	0	0	0	109.6	S370 D431	S370-S378 WeakPolarHBondContact OG-CA 3.24Å; S370-S378 PolarHBondContact OG-OG 2.71Å; S378-D431 PolarHBondContact N-O 3.1Å; S378-D431 PolarHBondContact O-N 3.07Å
379	S	93	Very high	86.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.9	-177.5	179	0	0	0	0	113	H368 F369 I429	H368-S379 PolarHBondContact CD2-O 2.77Å; F369-S379 PolarHBondContact N-O 2.91Å; F369-S379 VanDerWaalsContact N-O 3.08Å; F369-S379 PolarHBondContact O-N 3.47Å; F369-S379 VanDerWaalsContact O-O 3.11Å; S379-I429 VanDerWaalsContact CA-O 3.24Å; S379-I429 WeakPolarHBondContact CA-O 3.38Å; S379-I429 WeakPolarHBondContact CB-O 3.24Å; S379-I429 PolarHBondContact OG-O 2.97Å
380	I	94.3	Very high	86	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126	164.8	-59.5	169.6	0	0	0	107.4	I336 W337 Y349 I367 H368 Y382 I429	I336-I380 HydrophobicContact CD1-CD1 3.84Å; I336-I380 HydrophobicContact CG1-CD1 3.7Å; W337-I380 HydrophobicContact CB-CD1 3.81Å; W337-I380 HydrophobicContact CB-CG1 3.96Å; W337-I380 HydrophobicContact CE3-CD1 4.5Å; Y349-I380 HydrophobicContact CD1-CD1 4.32Å; Y349-I380 HydrophobicContact CD1-CG2 4.15Å; Y349-I380 HydrophobicContact CE1-CD1 3.89Å; Y349-I380 HydrophobicContact CE1-CG1 4.34Å; Y349-I380 HydrophobicContact CE1-CG2 4.08Å; I367-I380 WeakPolarHBondContact O-CA 3.1Å; H368-I380 HydrophobicContact CB-CG1 3.95Å; I380-Y382 HydrophobicContact CB-CE2 4.49Å; I380-Y382 HydrophobicContact CG2-CD2 4.26Å; I380-Y382 HydrophobicContact CG2-CE1 4.19Å; I380-Y382 HydrophobicContact CG2-CE2 3.57Å; I380-I429 PolarHBondContact N-O 2.78Å; I380-I429 VanDerWaalsContact N-O 3.12Å; I380-I429 PolarHBondContact O-N 2.88Å
381	L	93.9	Very high	85.3	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	149.8	174.3	-52.4	177.2	0	0	0	109.8	K366 I367 F369 V426 L457 V461 M464	K366-L381 CarbonylContact C-O 3.45Å; K366-L381 VanDerWaalsContact CA-O 3.27Å; K366-L381 WeakPolarHBondContact CA-O 3.34Å; I367-L381 HydrophobicContact CG2-CB 3.89Å; I367-L381 HydrophobicContact CG2-CD1 4.47Å; I367-L381 HydrophobicContact CG2-CG 4.43Å; I367-L381 PolarHBondContact N-O 2.91Å; I367-L381 PolarHBondContact O-N 3.06Å; F369-L381 HydrophobicContact CE1-CD1 4.35Å; L381-V426 HydrophobicContact CB-CG1 3.93Å; L381-V426 HydrophobicContact CD1-CG1 4.34Å; L381-V426 HydrophobicContact CD2-CG1 4.33Å; L381-V426 HydrophobicContact CG-CG1 4.43Å; L381-L457 HydrophobicContact CD1-CD2 3.92Å; L381-L457 HydrophobicContact CD2-CD2 4.15Å; L381-L457 HydrophobicContact CG-CD2 4.42Å; L381-V461 HydrophobicContact CD1-CG2 3.7Å; L381-M464 HydrophobicContact CB-CE 4.12Å
382	Y	94	Very high	84.9	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.2	-179.3	-60.3	-86.2	0	0	0	110.4	Y349 F353 P363 A365 K366 I380 F427	Y349-Y382 HydrophobicContact CD1-CE1 4.4Å; Y349-Y382 PolarHBondContact O-OH 2.81Å; F353-Y382 HydrophobicContact CB-CD1 4.32Å; F353-Y382 HydrophobicContact CB-CE1 4.12Å; F353-Y382 HydrophobicContact CD2-CD1 4Å; F353-Y382 HydrophobicContact CD2-CD2 4Å; F353-Y382 AromaticContact CD2-CG 3.68Å; F353-Y382 HydrophobicContact CD2-CG 3.68Å; F353-Y382 HydrophobicContact CE2-CG 4.37Å; F353-Y382 HydrophobicContact CG-CD1 4.45Å; P363-Y382 HydrophobicContact CB-CD1 3.99Å; P363-Y382 HydrophobicContact CG-CD1 3.76Å; P363-Y382 HydrophobicContact CG-CE1 4.23Å; A365-Y382 WeakPolarHBondContact O-CA 3.23Å; K366-Y382 HydrophobicContact CB-CD1 3.62Å; K366-Y382 HydrophobicContact CB-CE1 3.86Å; K366-Y382 HydrophobicContact CD-CE1 4.22Å; I380-Y382 HydrophobicContact CB-CE2 4.49Å; I380-Y382 HydrophobicContact CG2-CD2 4.26Å; I380-Y382 HydrophobicContact CG2-CE1 4.19Å; I380-Y382 HydrophobicContact CG2-CE2 3.57Å; Y382-F427 PolarHBondContact N-O 2.79Å; Y382-F427 PolarHBondContact O-N 2.8Å
383	I	93.4	Very high	84.5	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125	162.6	-53.1	179.3	0	0	0	106.5	L364 A365 F425 M464 I465 F476 Y480	L364-I383 HydrophobicContact CD2-CG2 4.47Å; L364-I383 PolarHBondContact N-O 2.92Å; A365-I383 HydrophobicContact CB-CB 3.96Å; A365-I383 HydrophobicContact CB-CD1 3.92Å; A365-I383 HydrophobicContact CB-CG1 3.96Å; A365-I383 PolarHBondContact N-O 3Å; A365-I383 PolarHBondContact O-N 3.03Å; A365-I383 VanDerWaalsContact O-N 3.14Å; I383-F425 HydrophobicContact CG1-CE2 4.38Å; I383-F425 HydrophobicContact CG2-CD2 4.11Å; I383-F425 HydrophobicContact CG2-CE2 3.97Å; I383-M464 HydrophobicContact CD1-CE 4Å; I383-M464 HydrophobicContact CD1-CG 4.18Å; I383-M464 HydrophobicContact CD1-SD 4.33Å; I383-M464 HydrophobicContact CG1-CE 3.63Å; I383-M464 HydrophobicContact CG1-SD 4.06Å; I383-I465 HydrophobicContact CD1-CG1 3.86Å; I383-F476 HydrophobicContact CD1-CD2 4.41Å; I383-F476 HydrophobicContact CD1-CE2 4.07Å; I383-F476 HydrophobicContact CG2-CD2 4.06Å; I383-F476 HydrophobicContact CG2-CE2 4.04Å; I383-Y480 HydrophobicContact CG2-CD2 4.48Å; I383-Y480 HydrophobicContact CG2-CE2 3.92Å
384	P	92.2	Very high	83.5	Confident	6 Å²	6	43.9 Å²	43.9	4%	0.039	23%	0.231	C	C	.	.			trans	-65.7	175.4	172.6	19.4	-18.9	0	0	0	111.5	F353 L364 F425 F427 Y480	F353-P384 HydrophobicContact CZ-CB 4.2Å; L364-P384 WeakPolarHBondContact CB-O 3.38Å; P384-F425 WeakPolarHBondContact CD-O 3.37Å; P384-F427 HydrophobicContact CG-CD2 3.9Å; P384-F427 HydrophobicContact CG-CE2 4.04Å; P384-Y480 WeakPolarHBondContact CG-OH 3.45Å; P384-Y480 PolarHBondContact O-OH 2.72Å
385	K	91.3	Very high	82.6	Confident	60 Å²	60	40.7 Å²	40.7	26%	0.261	21%	0.212	S	C	.	.	S	Bend	trans	-87.4	-30.2	178.8	-85.7	-153.9	-124.2	63.3	0	114.2	D361 D362 L364	D361-K385 IonicContact OD1-NZ 3.99Å; D361-K385 PolarHBondContact OD1-NZ 2.92Å; D361-K385 IonicContact OD2-NZ 2.7Å; D361-K385 PolarHBondContact OD2-NZ 3.12Å; D361-K385 VanDerWaalsContact OD2-NZ 3.1Å; D362-K385 VanDerWaalsContact O-CE 3.24Å; D362-K385 WeakPolarHBondContact O-CE 3.47Å; D362-K385 PolarHBondContact O-NZ 2.89Å; L364-K385 HydrophobicContact CB-CG 4.07Å
386	H	88.5	Confident	81.3	Confident	107 Å²	107	47.5 Å²	47.5	50%	0.495	25%	0.248	S	C	.	.	S	Bend	trans	-132.2	150.7	-178.6	-60.6	-63.3	0	0	0	105.4	E479 Y480	H386-E479 IonicContact CE1-OE2 3.6Å; H386-E479 IonicContact CG-OE2 3.03Å; H386-E479 IonicContact ND1-OE2 3.97Å; H386-E479 PolarHBondContact ND1-OE2 2.63Å; H386-Y480 PolarHBondContact O-OH 3.17Å
387	P	85.8	Confident	79.8	Confident	47 Å²	47	47.8 Å²	47.8	31%	0.305	25%	0.253	S	S	.	.			trans	-61.4	154.4	168.4	32.3	-37.6	0	0	0	109.6	I391 Y480	P387-I391 HydrophobicContact CB-CB 4.06Å; P387-I391 HydrophobicContact CB-CD1 3.57Å; P387-I391 HydrophobicContact CB-CG1 4.4Å; P387-I391 HydrophobicContact CB-CG2 3.89Å; P387-Y480 HydrophobicContact CB-CE1 4.08Å
388	P	78.3	Confident	78.2	Confident	41 Å²	41	54.7 Å²	54.7	27%	0.266	29%	0.285	S	S	.	.			trans	-60.9	153.5	152.7	31.2	-33.1	0	0	0	108.8	I391	P388-I391 HydrophobicContact CG-CB 4.26Å; P388-I391 WeakPolarHBondContact O-CB 3.46Å; P388-I391 PolarHBondContact O-N 3.13Å
389	T	77.3	Confident	76.7	Confident	131 Å²	131	54.2 Å²	54.2	80%	0.804	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-60.8	178.3	32	0	0	0	0	111.5	I391	T389-I391 PolarHBondContact O-N 3.41Å
390	N	74.4	Confident	75.6	Confident	65 Å²	65	58.5 Å²	58.5	35%	0.348	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	46.8	-178.2	-38.3	76.7	0	0	0	111.7	Q393 M394 R401	N390-Q393 HydrophobicContact CB-CB 4.44Å; N390-Q393 PolarHBondContact ND2-OE1 3.2Å; N390-M394 WeakPolarHBondContact O-CB 3.19Å; N390-M394 VanDerWaalsContact O-CG 3.29Å; N390-M394 WeakPolarHBondContact O-CG 3.15Å; N390-R401 PolarHBondContact O-NH2 2.79Å
391	I	76	Confident	75	Confident	10 Å²	10	59.2 Å²	59.2	5%	0.051	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-33.7	-179.3	-175.8	169.7	0	0	0	112.6	P387 P388 T389 F425 Y480	P387-I391 HydrophobicContact CB-CB 4.06Å; P387-I391 HydrophobicContact CB-CD1 3.57Å; P387-I391 HydrophobicContact CB-CG1 4.4Å; P387-I391 HydrophobicContact CB-CG2 3.89Å; P388-I391 HydrophobicContact CG-CB 4.26Å; P388-I391 WeakPolarHBondContact O-CB 3.46Å; P388-I391 PolarHBondContact O-N 3.13Å; T389-I391 PolarHBondContact O-N 3.41Å; I391-F425 HydrophobicContact CD1-CB 3.87Å; I391-Y480 HydrophobicContact CD1-CD1 4.21Å; I391-Y480 HydrophobicContact CD1-CE1 4.23Å
392	F	74.3	Confident	74.7	Confident	93 Å²	93	59.4 Å²	59.4	41%	0.408	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-34.6	-177.3	-63.7	-62.3	0	0	0	113.4	M394 H395 V482 N483 L486	F392-M394 PolarHBondContact O-N 2.87Å; F392-H395 AromaticContact CD1-NE2 3.91Å; F392-H395 WeakPolarHBondContact O-CB 3.36Å; F392-H395 PolarHBondContact O-CD2 2.92Å; F392-H395 VanDerWaalsContact O-CD2 3.26Å; F392-H395 PolarHBondContact O-N 3.03Å; F392-V482 HydrophobicContact CE1-CB 4.36Å; F392-V482 HydrophobicContact CE1-CG1 3.91Å; F392-V482 HydrophobicContact CZ-CB 3.9Å; F392-V482 HydrophobicContact CZ-CG1 3.87Å; F392-N483 WeakPolarHBondContact CE1-ND2 3.44Å; F392-L486 HydrophobicContact CE1-CD1 4.36Å
393	Q	70.2	Confident	74.3	Confident	91 Å²	91	60.8 Å²	60.8	43%	0.425	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-54.8	-31.6	164.4	-67.5	159.2	-15.5	0	0	112.2	N390 H395 N396 D1418	N390-Q393 HydrophobicContact CB-CB 4.44Å; N390-Q393 PolarHBondContact ND2-OE1 3.2Å; Q393-H395 PolarHBondContact O-N 3.23Å; Q393-N396 PolarHBondContact O-N 3.46Å; Q393-D1418 PolarHBondContact NE2-O 3.37Å
394	M	53.5	Low	74	Confident	51 Å²	51	61 Å²	61	25%	0.251	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-71.2	20.7	170	-79.8	-159.4	141.9	0	0	115	N390 F392 T397 R401	N390-M394 WeakPolarHBondContact O-CB 3.19Å; N390-M394 VanDerWaalsContact O-CG 3.29Å; N390-M394 WeakPolarHBondContact O-CG 3.15Å; F392-M394 PolarHBondContact O-N 2.87Å; M394-T397 WeakPolarHBondContact CG-OG1 3.4Å; M394-R401 PolarHBondContact SD-NH2 3.11Å
395	H	56.8	Low	73.7	Confident	55 Å²	55	61 Å²	61	26%	0.255	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-76.7	-24.5	162.9	-89.5	-105.9	0	0	0	112.7	F392 Q393 K421	F392-H395 AromaticContact CD1-NE2 3.91Å; F392-H395 WeakPolarHBondContact O-CB 3.36Å; F392-H395 PolarHBondContact O-CD2 2.92Å; F392-H395 VanDerWaalsContact O-CD2 3.26Å; F392-H395 PolarHBondContact O-N 3.03Å; Q393-H395 PolarHBondContact O-N 3.23Å; H395-K421 WeakPolarHBondContact O-CD 3.34Å; H395-K421 VanDerWaalsContact O-CE 3.31Å; H395-K421 WeakPolarHBondContact O-CE 2.96Å; H395-K421 PolarHBondContact O-NZ 3.2Å
396	N	52.2	Low	73.4	Confident	149 Å²	149	58.7 Å²	58.7	80%	0.797	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-23.6	-179.4	-64.7	11.1	0	0	0	112.9	Q393	Q393-N396 PolarHBondContact O-N 3.46Å
397	T	55	Low	73.1	Confident	80 Å²	80	56.5 Å²	56.5	49%	0.491	29%	0.293	S	S	.	.	S	Bend	trans	-100.8	129.9	-177.7	56.1	0	0	0	0	114	M394 S399	M394-T397 WeakPolarHBondContact CG-OG1 3.4Å; T397-S399 PolarHBondContact O-N 2.64Å; T397-S399 VanDerWaalsContact O-N 3.13Å
398	H	55.3	Low	73.1	Confident	145 Å²	145	55.9 Å²	55.9	67%	0.671	29%	0.285	S	S	*	.			trans	-46.9	114.8	-177.6	-63.1	-54.7	0	0	0	113.2	D400 E416	H398-D400 PolarHBondContact O-N 3.46Å; H398-D400 VanDerWaalsContact O-N 3.09Å; H398-E416 IonicContact CE1-OE2 3.28Å; H398-E416 IonicContact CG-OE2 2.64Å; H398-E416 IonicContact ND1-OE2 2.66Å; H398-E416 PolarHBondContact ND1-OE2 2.67Å
399	S	61.1	Low	73.3	Confident	7 Å²	7	54.2 Å²	54.2	5%	0.049	27%	0.274	C	S	.	.			trans	-83	100.3	-167.4	70.6	0	0	0	0	113	T397 R401 A415 E416	T397-S399 PolarHBondContact O-N 2.64Å; T397-S399 VanDerWaalsContact O-N 3.13Å; S399-R401 PolarHBondContact O-N 2.76Å; S399-A415 WeakPolarHBondContact O-CB 3.4Å; S399-E416 PolarHBondContact N-OE1 2.84Å
400	D	70.8	Confident	73.7	Confident	90 Å²	90	48.8 Å²	48.8	48%	0.481	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	8.9	-175.2	-158.8	57.3	0	0	0	116.7	H398 K403 D413	H398-D400 PolarHBondContact O-N 3.46Å; H398-D400 VanDerWaalsContact O-N 3.09Å; D400-K403 PolarHBondContact O-NZ 2.87Å; D400-K403 IonicContact OD1-NZ 2.77Å; D400-K403 PolarHBondContact OD1-NZ 2.83Å; D400-K403 IonicContact OD2-NZ 3.71Å; D400-K403 PolarHBondContact OD2-NZ 2.99Å; D400-D413 WeakPolarHBondContact OD1-CB 3.26Å; D400-D413 VanDerWaalsContact OD1-CG 3.28Å; D400-D413 VanDerWaalsContact OD1-OD2 3.11Å
401	R	80.7	Confident	74.1	Confident	14 Å²	14	46 Å²	46	5%	0.053	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-14.1	-162.8	-58	169.9	-177.4	169.1	2.6	113.5	Y356 N390 M394 S399 A424 F427 G428	Y356-R401 PolarHBondContact OH-O 2.99Å; N390-R401 PolarHBondContact O-NH2 2.79Å; M394-R401 PolarHBondContact SD-NH2 3.11Å; S399-R401 PolarHBondContact O-N 2.76Å; R401-A424 WeakPolarHBondContact CD-O 3.05Å; R401-A424 VanDerWaalsContact NH1-C 3.26Å; R401-A424 PolarHBondContact NH1-O 3.2Å; R401-F427 HydrophobicContact CB-CD1 4.3Å; R401-F427 HydrophobicContact CB-CE1 4.29Å; R401-F427 HydrophobicContact CB-CZ 4.47Å; R401-F427 HydrophobicContact CG-CE1 4.03Å; R401-F427 HydrophobicContact CG-CE2 4.31Å; R401-F427 HydrophobicContact CG-CZ 3.91Å; R401-F427 WeakPolarHBondContact O-CA 3.21Å; R401-G428 PolarHBondContact O-N 3.47Å
402	I	87	Confident	74.2	Confident	4 Å²	4	47 Å²	47	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	92.4	176.4	-47.7	174.7	0	0	0	111.4	L404 A415 L418 L419 V430	I402-L404 PolarHBondContact O-N 3.12Å; I402-A415 HydrophobicContact CB-CB 4.26Å; I402-A415 HydrophobicContact CD1-CB 4.17Å; I402-A415 HydrophobicContact CG1-CB 4.25Å; I402-L418 HydrophobicContact CD1-CB 4.33Å; I402-L418 HydrophobicContact CG2-CD1 4.04Å; I402-L419 HydrophobicContact CD1-CB 3.87Å; I402-L419 HydrophobicContact CD1-CD1 3.54Å; I402-L419 HydrophobicContact CD1-CG 3.59Å; I402-V430 HydrophobicContact CG2-CG2 4.07Å
403	K	86.5	Confident	74.1	Confident	31 Å²	31	43.6 Å²	43.6	14%	0.135	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.8	-179.4	-41.4	-149.2	166.2	-69.2	0	111.7	Y356 D400 Y405 Y410 D413 G428 V430	Y356-K403 HydrophobicContact CE2-CD 3.88Å; Y356-K403 HydrophobicContact CE2-CG 3.63Å; Y356-K403 VanDerWaalsContact OH-CG 3.25Å; Y356-K403 WeakPolarHBondContact OH-CG 3.19Å; Y356-K403 PolarHBondContact OH-N 3.39Å; D400-K403 PolarHBondContact O-NZ 2.87Å; D400-K403 IonicContact OD1-NZ 2.77Å; D400-K403 PolarHBondContact OD1-NZ 2.83Å; D400-K403 IonicContact OD2-NZ 3.71Å; D400-K403 PolarHBondContact OD2-NZ 2.99Å; K403-Y405 HydrophobicContact CB-CE2 3.79Å; K403-Y405 WeakPolarHBondContact O-CD2 3.47Å; K403-Y410 HydrophobicContact CB-CD2 4.09Å; K403-Y410 HydrophobicContact CB-CE2 4.13Å; K403-Y410 HydrophobicContact CD-CE2 4.39Å; K403-D413 WeakPolarHBondContact CA-OD1 3.49Å; K403-D413 WeakPolarHBondContact CB-OD1 3.4Å; K403-D413 WeakPolarHBondContact CD-OD1 3.22Å; K403-D413 WeakPolarHBondContact CE-OD1 3.21Å; K403-D413 WeakPolarHBondContact CG-OD1 3.3Å; K403-D413 IonicContact NZ-OD1 2.61Å; K403-D413 PolarHBondContact NZ-OD1 3.08Å; K403-D413 IonicContact NZ-OD2 2.64Å; K403-D413 PolarHBondContact NZ-OD2 3.39Å; K403-G428 PolarHBondContact N-O 2.93Å; K403-V430 PolarHBondContact O-N 2.94Å
404	L	86.7	Confident	73.9	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	132.8	173.4	-176	66	0	0	0	111.3	I402 I411 S412 L418 V430 L435 L444	I402-L404 PolarHBondContact O-N 3.12Å; L404-I411 PolarHBondContact O-N 3.23Å; L404-S412 WeakPolarHBondContact CB-O 3.13Å; L404-S412 PolarHBondContact N-O 2.84Å; L404-L418 HydrophobicContact CB-CD1 4.47Å; L404-V430 HydrophobicContact CD1-CB 3.9Å; L404-V430 HydrophobicContact CD1-CG1 3.77Å; L404-L435 HydrophobicContact CD1-CD1 4.21Å; L404-L435 HydrophobicContact CD2-CD1 4.38Å; L404-L444 HydrophobicContact CD2-CD1 3.65Å; L404-L444 HydrophobicContact CD2-CD2 4.22Å; L404-L444 HydrophobicContact CD2-CG 4.34Å
405	Y	87.2	Confident	74.2	Confident	6 Å²	6	38.8 Å²	38.8	2%	0.024	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145	171.5	-65.7	-98.8	0	0	0	110.5	F273 K403 V409 I429 V430 D431 S432	F273-Y405 HydrophobicContact CD2-CD1 4.48Å; F273-Y405 AromaticContact CD2-CE1 3.65Å; F273-Y405 HydrophobicContact CD2-CE1 3.65Å; F273-Y405 AromaticContact CD2-CZ 3.82Å; F273-Y405 HydrophobicContact CE2-CE1 4.17Å; F273-Y405 AromaticContact CE2-CZ 3.84Å; F273-Y405 WeakPolarHBondContact CE2-OH 3.32Å; K403-Y405 HydrophobicContact CB-CE2 3.79Å; K403-Y405 WeakPolarHBondContact O-CD2 3.47Å; Y405-V409 CarbonylContact C-O 3.55Å; Y405-V409 VanDerWaalsContact CA-O 3.22Å; Y405-V409 WeakPolarHBondContact CA-O 3.26Å; Y405-I429 HydrophobicContact CD2-CG2 3.74Å; Y405-I429 HydrophobicContact CE2-CG1 4.43Å; Y405-I429 HydrophobicContact CE2-CG2 3.91Å; Y405-V430 PolarHBondContact N-O 2.9Å; Y405-D431 WeakPolarHBondContact CB-OD1 3.16Å; Y405-D431 WeakPolarHBondContact O-CA 3.45Å; Y405-S432 PolarHBondContact O-N 3.15Å; Y405-S432 VanDerWaalsContact O-N 3.1Å
406	V	84.8	Confident	74.6	Confident	11 Å²	11	39.1 Å²	39.1	7%	0.067	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.9	162.7	174.2	0	0	0	0	108.6	R408 V409 I411 S432 L435 L437	V406-R408 PolarHBondContact O-N 3.19Å; V406-V409 PolarHBondContact N-O 2.74Å; V406-V409 PolarHBondContact O-N 2.75Å; V406-I411 HydrophobicContact CB-CD1 4.25Å; V406-I411 HydrophobicContact CB-CG1 4Å; V406-I411 HydrophobicContact CG2-CG1 3.98Å; V406-S432 CarbonylContact C-O 3.32Å; V406-S432 VanDerWaalsContact CA-O 3.3Å; V406-S432 WeakPolarHBondContact CA-O 3.25Å; V406-L435 HydrophobicContact CG2-CB 4.02Å; V406-L435 HydrophobicContact CG2-CD1 4.24Å; V406-L437 HydrophobicContact CB-CD1 4Å; V406-L437 HydrophobicContact CB-CD2 4.47Å; V406-L437 HydrophobicContact CB-CG 4.46Å; V406-L437 HydrophobicContact CG1-CD1 3.92Å; V406-L437 HydrophobicContact CG1-CG 4.37Å; V406-L437 HydrophobicContact CG2-CD1 4.38Å; V406-L437 HydrophobicContact CG2-CD2 3.97Å; V406-L437 HydrophobicContact CG2-CG 4.32Å
407	R	82.3	Confident	75.7	Confident	62 Å²	62	35.9 Å²	35.9	23%	0.234	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	38.2	-173.4	-58.3	-177.9	-171	156.8	15	112.9	L190 V409 D431 S432 D433	L190-R407 WeakPolarHBondContact O-CD 3.42Å; L190-R407 PolarHBondContact O-NH1 2.66Å; R407-V409 PolarHBondContact O-N 3.17Å; R407-D431 PolarHBondContact N-OD1 3.22Å; R407-S432 PolarHBondContact N-O 3.16Å; R407-D433 HydrophobicContact CG-CB 4.33Å; R407-D433 PolarHBondContact NE-O 3.28Å; R407-D433 PolarHBondContact NH2-O 3.09Å
408	R	84.2	Confident	77.1	Confident	33 Å²	33	32.2 Å²	32.2	13%	0.125	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	13.1	-177.4	-41.5	156.3	-164.1	150.3	16.7	115.1	D189 F273 P335 V406 D431	D189-R408 VanDerWaalsContact CG-NH1 3.33Å; D189-R408 IonicContact OD1-CZ 2.63Å; D189-R408 IonicContact OD1-NH1 3.95Å; D189-R408 PolarHBondContact OD1-NH1 2.75Å; D189-R408 IonicContact OD1-NH2 2.74Å; D189-R408 PolarHBondContact OD1-NH2 2.98Å; D189-R408 IonicContact OD2-CZ 3.1Å; D189-R408 IonicContact OD2-NH1 2.76Å; D189-R408 PolarHBondContact OD2-NH1 3.18Å; D189-R408 IonicContact OD2-NH2 3.66Å; F273-R408 HydrophobicContact CB-CB 4.22Å; P335-R408 HydrophobicContact CB-CG 4.44Å; V406-R408 PolarHBondContact O-N 3.19Å; R408-D431 VanDerWaalsContact CG-OD2 3.27Å; R408-D431 WeakPolarHBondContact CG-OD2 3.2Å; R408-D431 PolarHBondContact N-OD1 3.2Å
409	V	82.5	Confident	78.6	Confident	7 Å²	7	25.6 Å²	25.6	4%	0.042	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.4	165.5	-178.2	0	0	0	0	107.8	R102 I191 Y405 V406 R407	R102-V409 HydrophobicContact CG-CG1 3.83Å; I191-V409 HydrophobicContact CD1-CG2 3.72Å; I191-V409 HydrophobicContact CG1-CG2 4.11Å; I191-V409 HydrophobicContact CG2-CG2 4.02Å; Y405-V409 CarbonylContact C-O 3.55Å; Y405-V409 VanDerWaalsContact CA-O 3.22Å; Y405-V409 WeakPolarHBondContact CA-O 3.26Å; V406-V409 PolarHBondContact N-O 2.74Å; V406-V409 PolarHBondContact O-N 2.75Å; R407-V409 PolarHBondContact O-N 3.17Å
410	Y	86.2	Confident	79.9	Confident	16 Å²	16	26.5 Å²	26.5	6%	0.063	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	138.3	178.1	164.2	-104.7	0	0	0	110.5	K269 Y270 K403 S412 D413	K269-Y410 HydrophobicContact CG-CD1 4.06Å; K269-Y410 HydrophobicContact CG-CE1 4.04Å; K269-Y410 WeakPolarHBondContact O-CB 3.3Å; Y270-Y410 AromaticContact CD1-CD1 3.62Å; Y270-Y410 HydrophobicContact CD1-CD1 3.62Å; Y270-Y410 HydrophobicContact CD1-CE1 4.24Å; Y270-Y410 AromaticContact CE1-CD1 3.78Å; Y270-Y410 HydrophobicContact CE1-CD1 3.78Å; Y270-Y410 AromaticContact CE1-CE1 3.92Å; Y270-Y410 HydrophobicContact CE1-CE1 3.92Å; Y270-Y410 HydrophobicContact CG-CD1 4.42Å; K403-Y410 HydrophobicContact CB-CD2 4.09Å; K403-Y410 HydrophobicContact CB-CE2 4.13Å; K403-Y410 HydrophobicContact CD-CE2 4.39Å; Y410-S412 VanDerWaalsContact CE2-C 3.42Å; Y410-S412 VanDerWaalsContact CE2-O 3.31Å; Y410-S412 WeakPolarHBondContact CE2-O 2.91Å; Y410-S412 VanDerWaalsContact OH-C 3.28Å; Y410-S412 WeakPolarHBondContact OH-CA 3.27Å; Y410-D413 HydrophobicContact CE2-CB 4.45Å; Y410-D413 VanDerWaalsContact CE2-CG 3.42Å; Y410-D413 WeakPolarHBondContact CE2-OD1 3.41Å; Y410-D413 VanDerWaalsContact CZ-OD2 3.29Å; Y410-D413 PolarHBondContact OH-N 3.39Å; Y410-D413 VanDerWaalsContact OH-N 3.14Å; Y410-D413 PolarHBondContact OH-OD2 3.29Å
411	I	83.4	Confident	80.6	Confident	7 Å²	7	27.5 Å²	27.5	4%	0.036	14%	0.139	C	C	.	.			trans	-115.6	-73.9	-175.1	-55.6	-60	0	0	0	110.3	L404 V406 L437 R441 E442	L404-I411 PolarHBondContact O-N 3.23Å; V406-I411 HydrophobicContact CB-CD1 4.25Å; V406-I411 HydrophobicContact CB-CG1 4Å; V406-I411 HydrophobicContact CG2-CG1 3.98Å; I411-L437 HydrophobicContact CD1-CD1 3.7Å; I411-L437 HydrophobicContact CD1-CD2 3.91Å; I411-L437 HydrophobicContact CD1-CG 4.49Å; I411-L437 HydrophobicContact CG1-CD2 3.99Å; I411-L437 HydrophobicContact CG2-CD2 3.79Å; I411-R441 HydrophobicContact CD1-CB 4.48Å; I411-E442 CarbonylContact C-O 3.54Å; I411-E442 WeakPolarHBondContact CG2-O 3.15Å
412	S	77.3	Confident	81	Confident	32 Å²	32	26.8 Å²	26.8	22%	0.224	14%	0.136	C	C	.	.			trans	-138.3	159.1	-177.8	-173	0	0	0	0	111.1	L404 Y410 A414 E442	L404-S412 WeakPolarHBondContact CB-O 3.13Å; L404-S412 PolarHBondContact N-O 2.84Å; Y410-S412 VanDerWaalsContact CE2-C 3.42Å; Y410-S412 VanDerWaalsContact CE2-O 3.31Å; Y410-S412 WeakPolarHBondContact CE2-O 2.91Å; Y410-S412 VanDerWaalsContact OH-C 3.28Å; Y410-S412 WeakPolarHBondContact OH-CA 3.27Å; S412-A414 PolarHBondContact OG-N 3.42Å; S412-E442 WeakPolarHBondContact CB-O 3.23Å
413	D	73.4	Confident	81.2	Confident	20 Å²	20	26.7 Å²	26.7	11%	0.107	14%	0.135	C	C	.	.			trans	-108.1	-6.9	176.1	-77.9	-37.3	0	0	0	113.3	D400 K403 Y410 A415	D400-D413 WeakPolarHBondContact OD1-CB 3.26Å; D400-D413 VanDerWaalsContact OD1-CG 3.28Å; D400-D413 VanDerWaalsContact OD1-OD2 3.11Å; K403-D413 WeakPolarHBondContact CA-OD1 3.49Å; K403-D413 WeakPolarHBondContact CB-OD1 3.4Å; K403-D413 WeakPolarHBondContact CD-OD1 3.22Å; K403-D413 WeakPolarHBondContact CE-OD1 3.21Å; K403-D413 WeakPolarHBondContact CG-OD1 3.3Å; K403-D413 IonicContact NZ-OD1 2.61Å; K403-D413 PolarHBondContact NZ-OD1 3.08Å; K403-D413 IonicContact NZ-OD2 2.64Å; K403-D413 PolarHBondContact NZ-OD2 3.39Å; Y410-D413 HydrophobicContact CE2-CB 4.45Å; Y410-D413 VanDerWaalsContact CE2-CG 3.42Å; Y410-D413 WeakPolarHBondContact CE2-OD1 3.41Å; Y410-D413 VanDerWaalsContact CZ-OD2 3.29Å; Y410-D413 PolarHBondContact OH-N 3.39Å; Y410-D413 VanDerWaalsContact OH-N 3.14Å; Y410-D413 PolarHBondContact OH-OD2 3.29Å; D413-A415 PolarHBondContact O-N 3.33Å
414	A	64.5	Low	81.2	Confident	39 Å²	39	25.8 Å²	25.8	32%	0.322	13%	0.134	S	C	.	.			trans	-54.7	118.3	177.6	0	0	0	0	0	111	S412	S412-A414 PolarHBondContact OG-N 3.42Å
415	A	59.4	Low	81.2	Confident	2 Å²	2	25.6 Å²	25.6	2%	0.017	13%	0.133	C	C	.	.			trans	-110.5	-19.1	-168.2	0	0	0	0	0	113.7	S399 I402 D413 D417 L418 L419	S399-A415 WeakPolarHBondContact O-CB 3.4Å; I402-A415 HydrophobicContact CB-CB 4.26Å; I402-A415 HydrophobicContact CD1-CB 4.17Å; I402-A415 HydrophobicContact CG1-CB 4.25Å; D413-A415 PolarHBondContact O-N 3.33Å; A415-D417 PolarHBondContact O-N 2.71Å; A415-L418 CarbonylContact O-C 3.01Å; A415-L418 WeakPolarHBondContact O-CA 3.36Å; A415-L418 PolarHBondContact O-N 3.13Å; A415-L419 PolarHBondContact O-N 3.49Å
416	E	66.9	Low	81.4	Confident	63 Å²	63	25.4 Å²	25.4	29%	0.294	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-40	176.4	-64.9	75.5	-108.2	0	0	111.4	H398 S399 L418 K454	H398-E416 IonicContact CE1-OE2 3.28Å; H398-E416 IonicContact CG-OE2 2.64Å; H398-E416 IonicContact ND1-OE2 2.66Å; H398-E416 PolarHBondContact ND1-OE2 2.67Å; S399-E416 PolarHBondContact N-OE1 2.84Å; E416-L418 PolarHBondContact O-N 3.04Å; E416-K454 VanDerWaalsContact O-CE 3.27Å; E416-K454 WeakPolarHBondContact O-CE 3.07Å; E416-K454 PolarHBondContact O-NZ 2.66Å
417	D	74.8	Confident	81.6	Confident	80 Å²	80	26.2 Å²	26.2	43%	0.428	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.6	171.5	-90.6	-15.2	0	0	0	114.9	A415 K454	A415-D417 PolarHBondContact O-N 2.71Å; D417-K454 WeakPolarHBondContact O-CB 3.25Å; D417-K454 WeakPolarHBondContact O-CD 3.29Å
418	L	83.6	Confident	82	Confident	3 Å²	3	23.2 Å²	23.2	2%	0.016	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-30.5	-167.5	-63.5	179.2	0	0	0	113.1	I402 L404 A415 E416 L450 I453 K454 L457	I402-L418 HydrophobicContact CD1-CB 4.33Å; I402-L418 HydrophobicContact CG2-CD1 4.04Å; L404-L418 HydrophobicContact CB-CD1 4.47Å; A415-L418 CarbonylContact O-C 3.01Å; A415-L418 WeakPolarHBondContact O-CA 3.36Å; A415-L418 PolarHBondContact O-N 3.13Å; E416-L418 PolarHBondContact O-N 3.04Å; L418-L450 HydrophobicContact CD2-CD2 3.97Å; L418-I453 HydrophobicContact CD2-CB 4.43Å; L418-I453 HydrophobicContact CD2-CG2 3.74Å; L418-K454 WeakPolarHBondContact O-CA 3.41Å; L418-L457 HydrophobicContact CB-CD1 4.04Å; L418-L457 HydrophobicContact CD2-CD1 4.41Å; L418-L457 VanDerWaalsContact O-CD1 3.23Å; L418-L457 WeakPolarHBondContact O-CD1 3.43Å
419	L	87.9	Confident	82.3	Confident	6 Å²	6	21.8 Å²	21.8	3%	0.031	12%	0.118	C	C	.	.	S	Bend	trans	-144.9	146.4	169.2	-75.3	-174.4	0	0	0	110.6	I402 A415 L423 V426 L457 V458 V461	I402-L419 HydrophobicContact CD1-CB 3.87Å; I402-L419 HydrophobicContact CD1-CD1 3.54Å; I402-L419 HydrophobicContact CD1-CG 3.59Å; A415-L419 PolarHBondContact O-N 3.49Å; L419-L423 HydrophobicContact CB-CB 4.21Å; L419-L423 HydrophobicContact CD1-CB 4.01Å; L419-L423 HydrophobicContact CD2-CD1 4.09Å; L419-L423 HydrophobicContact CG-CB 4.49Å; L419-V426 HydrophobicContact CD1-CB 3.72Å; L419-V426 HydrophobicContact CD1-CG1 3.96Å; L419-V426 HydrophobicContact CD1-CG2 4.24Å; L419-L457 HydrophobicContact CD2-CB 3.71Å; L419-V458 HydrophobicContact CD2-CB 4.48Å; L419-V458 HydrophobicContact CD2-CG2 3.67Å; L419-V461 HydrophobicContact CD1-CG2 4.26Å; L419-V461 HydrophobicContact CD2-CG2 4.39Å
420	P	88	Confident	82.7	Confident	26 Å²	26	21.4 Å²	21.4	17%	0.169	12%	0.116	C	C	.	.			trans	-67.3	157.5	173.8	30.5	-36.1	0	0	0	112	Y422 L423 V458	P420-Y422 VanDerWaalsContact C-N 3.28Å; P420-Y422 HydrophobicContact CB-CD1 3.86Å; P420-Y422 HydrophobicContact CB-CE1 3.93Å; P420-Y422 HydrophobicContact CG-CD1 3.61Å; P420-Y422 HydrophobicContact CG-CE1 3.27Å; P420-Y422 PolarHBondContact O-N 2.8Å; P420-Y422 VanDerWaalsContact O-N 3.14Å; P420-L423 HydrophobicContact CG-CB 4.47Å; P420-L423 HydrophobicContact CG-CD1 4.33Å; P420-L423 HydrophobicContact CG-CG 4.35Å; P420-L423 PolarHBondContact O-N 3.02Å; P420-V458 VanDerWaalsContact CD-CG2 3.46Å; P420-V458 HydrophobicContact CG-CG2 4.06Å
421	K	85.7	Confident	82.9	Confident	111 Å²	111	20.7 Å²	20.7	48%	0.483	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-47.9	-45.3	-175.9	-63.5	-168.3	-179.7	-166.4	0	112.3	H395 L423 A424	H395-K421 WeakPolarHBondContact O-CD 3.34Å; H395-K421 VanDerWaalsContact O-CE 3.31Å; H395-K421 WeakPolarHBondContact O-CE 2.96Å; H395-K421 PolarHBondContact O-NZ 3.2Å; K421-L423 PolarHBondContact O-N 3.32Å; K421-A424 VanDerWaalsContact O-CB 3.23Å; K421-A424 WeakPolarHBondContact O-CB 3.11Å; K421-A424 PolarHBondContact O-N 2.87Å
422	Y	89.9	Confident	83	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-60	-17.7	178.3	87.4	-91.6	0	0	0	115.9	P420 F425 N483 D490 D491 L498	P420-Y422 VanDerWaalsContact C-N 3.28Å; P420-Y422 HydrophobicContact CB-CD1 3.86Å; P420-Y422 HydrophobicContact CB-CE1 3.93Å; P420-Y422 HydrophobicContact CG-CD1 3.61Å; P420-Y422 HydrophobicContact CG-CE1 3.27Å; P420-Y422 PolarHBondContact O-N 2.8Å; P420-Y422 VanDerWaalsContact O-N 3.14Å; Y422-F425 WeakPolarHBondContact O-CE1 3.29Å; Y422-N483 WeakPolarHBondContact CB-O 3.44Å; Y422-N483 WeakPolarHBondContact CD2-O 3.35Å; Y422-N483 WeakPolarHBondContact O-CB 3.15Å; Y422-D490 WeakPolarHBondContact CB-OD2 3.42Å; Y422-D490 WeakPolarHBondContact CD1-OD2 3.47Å; Y422-D491 HydrophobicContact CD1-CB 4.33Å; Y422-D491 HydrophobicContact CE1-CB 3.49Å; Y422-D491 VanDerWaalsContact CE1-CB 3.49Å; Y422-D491 WeakPolarHBondContact CE1-OD2 3.39Å; Y422-D491 PolarHBondContact OH-OD2 3.45Å; Y422-L498 HydrophobicContact CE2-CD1 3.99Å; Y422-L498 HydrophobicContact CE2-CD2 4.29Å
423	L	91	Very high	83.2	Confident	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-104.2	10.2	175.7	-66.5	-176	0	0	0	114.1	L419 P420 K421 F425 V426 V458 V461	L419-L423 HydrophobicContact CB-CB 4.21Å; L419-L423 HydrophobicContact CD1-CB 4.01Å; L419-L423 HydrophobicContact CD2-CD1 4.09Å; L419-L423 HydrophobicContact CG-CB 4.49Å; P420-L423 HydrophobicContact CG-CB 4.47Å; P420-L423 HydrophobicContact CG-CD1 4.33Å; P420-L423 HydrophobicContact CG-CG 4.35Å; P420-L423 PolarHBondContact O-N 3.02Å; K421-L423 PolarHBondContact O-N 3.32Å; L423-F425 HydrophobicContact CD2-CE1 3.84Å; L423-F425 HydrophobicContact CD2-CZ 3.86Å; L423-F425 PolarHBondContact O-N 3.37Å; L423-V426 HydrophobicContact CB-CG2 4.43Å; L423-V426 WeakPolarHBondContact O-CB 3.45Å; L423-V426 WeakPolarHBondContact O-CG2 3.24Å; L423-V426 PolarHBondContact O-N 2.74Å; L423-V458 HydrophobicContact CD1-CB 4.4Å; L423-V458 HydrophobicContact CD1-CG1 4.1Å; L423-V458 HydrophobicContact CD1-CG2 4.18Å; L423-V461 HydrophobicContact CD1-CB 4.07Å; L423-V461 HydrophobicContact CD1-CG1 4.03Å; L423-V461 HydrophobicContact CD1-CG2 4.4Å; L423-V461 HydrophobicContact CD2-CG1 3.89Å
424	A	85.1	Confident	83.4	Confident	13 Å²	13	25.9 Å²	25.9	11%	0.107	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-21	178.8	0	0	0	0	0	113.7	R401 K421 V426	R401-A424 WeakPolarHBondContact CD-O 3.05Å; R401-A424 VanDerWaalsContact NH1-C 3.26Å; R401-A424 PolarHBondContact NH1-O 3.2Å; K421-A424 VanDerWaalsContact O-CB 3.23Å; K421-A424 WeakPolarHBondContact O-CB 3.11Å; K421-A424 PolarHBondContact O-N 2.87Å; A424-V426 PolarHBondContact O-N 2.64Å
425	F	88.1	Confident	84.2	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-7.1	174.9	67.4	-95.8	0	0	0	114.8	I383 P384 I391 Y422 L423 F427 F476 Y480 N483	I383-F425 HydrophobicContact CG1-CE2 4.38Å; I383-F425 HydrophobicContact CG2-CD2 4.11Å; I383-F425 HydrophobicContact CG2-CE2 3.97Å; P384-F425 WeakPolarHBondContact CD-O 3.37Å; I391-F425 HydrophobicContact CD1-CB 3.87Å; Y422-F425 WeakPolarHBondContact O-CE1 3.29Å; L423-F425 HydrophobicContact CD2-CE1 3.84Å; L423-F425 HydrophobicContact CD2-CZ 3.86Å; L423-F425 PolarHBondContact O-N 3.37Å; F425-F427 PolarHBondContact O-N 3.1Å; F425-F476 AromaticContact CE2-CE2 3.93Å; F425-F476 HydrophobicContact CE2-CE2 3.93Å; F425-F476 HydrophobicContact CE2-CZ 4.45Å; F425-F476 HydrophobicContact CZ-CE2 4.07Å; F425-F476 HydrophobicContact CZ-CZ 4.13Å; F425-Y480 HydrophobicContact CB-CD1 4Å; F425-Y480 HydrophobicContact CB-CE1 3.76Å; F425-Y480 HydrophobicContact CD1-CD1 4.11Å; F425-Y480 HydrophobicContact CD2-CD1 4.02Å; F425-Y480 HydrophobicContact CD2-CE1 4.02Å; F425-Y480 HydrophobicContact CD2-CG 4.43Å; F425-Y480 AromaticContact CG-CD1 3.77Å; F425-Y480 HydrophobicContact CG-CD1 3.77Å; F425-Y480 AromaticContact CG-CE1 3.92Å; F425-Y480 HydrophobicContact CG-CE1 3.92Å; F425-Y480 HydrophobicContact CG-CG 4.5Å; F425-N483 HydrophobicContact CD1-CB 4.01Å; F425-N483 HydrophobicContact CE1-CB 3.88Å
426	V	90.9	Very high	85	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.006	14%	0.136	C	C	.	.			trans	-86.7	109.4	-175.7	177.9	0	0	0	0	111.4	L381 L419 L423 A424 V461	L381-V426 HydrophobicContact CB-CG1 3.93Å; L381-V426 HydrophobicContact CD1-CG1 4.34Å; L381-V426 HydrophobicContact CD2-CG1 4.33Å; L381-V426 HydrophobicContact CG-CG1 4.43Å; L419-V426 HydrophobicContact CD1-CB 3.72Å; L419-V426 HydrophobicContact CD1-CG1 3.96Å; L419-V426 HydrophobicContact CD1-CG2 4.24Å; L423-V426 HydrophobicContact CB-CG2 4.43Å; L423-V426 WeakPolarHBondContact O-CB 3.45Å; L423-V426 WeakPolarHBondContact O-CG2 3.24Å; L423-V426 PolarHBondContact O-N 2.74Å; A424-V426 PolarHBondContact O-N 2.64Å; V426-V461 HydrophobicContact CG1-CG2 4.02Å; V426-V461 HydrophobicContact CG2-CG1 3.8Å; V426-V461 HydrophobicContact CG2-CG2 4.07Å
427	F	89.7	Confident	85.5	Confident	28 Å²	28	24.9 Å²	24.9	12%	0.123	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.1	175	-78.2	-102.5	0	0	0	110.6	F353 Y356 Y382 P384 R401 F425	F353-F427 HydrophobicContact CE2-CB 4.2Å; F353-F427 HydrophobicContact CE2-CG 4.46Å; Y356-F427 HydrophobicContact CD1-CB 4.43Å; Y356-F427 HydrophobicContact CD1-CD1 4.25Å; Y356-F427 HydrophobicContact CE1-CB 4.02Å; Y356-F427 AromaticContact CE1-CD1 3.83Å; Y356-F427 HydrophobicContact CE1-CD1 3.83Å; Y356-F427 HydrophobicContact CE1-CG 4.43Å; Y382-F427 PolarHBondContact N-O 2.79Å; Y382-F427 PolarHBondContact O-N 2.8Å; P384-F427 HydrophobicContact CG-CD2 3.9Å; P384-F427 HydrophobicContact CG-CE2 4.04Å; R401-F427 HydrophobicContact CB-CD1 4.3Å; R401-F427 HydrophobicContact CB-CE1 4.29Å; R401-F427 HydrophobicContact CB-CZ 4.47Å; R401-F427 HydrophobicContact CG-CE1 4.03Å; R401-F427 HydrophobicContact CG-CE2 4.31Å; R401-F427 HydrophobicContact CG-CZ 3.91Å; R401-F427 WeakPolarHBondContact O-CA 3.21Å; F425-F427 PolarHBondContact O-N 3.1Å
428	G	89.9	Confident	85.6	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	157.4	-168.2	0	0	0	0	0	115.9	Y356 R401 K403	Y356-G428 PolarHBondContact OH-O 3.21Å; R401-G428 PolarHBondContact O-N 3.47Å; K403-G428 PolarHBondContact N-O 2.93Å
429	I	90.6	Very high	85.4	Confident	2 Å²	2	25.6 Å²	25.6	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.6	161.6	-67.1	-177.3	0	0	0	108	F273 W337 L352 S379 I380 Y405	F273-I429 HydrophobicContact CZ-CD1 4.36Å; W337-I429 HydrophobicContact CD2-CG2 4.2Å; W337-I429 HydrophobicContact CE3-CD1 4.42Å; W337-I429 HydrophobicContact CE3-CG2 4.09Å; W337-I429 HydrophobicContact CH2-CD1 4.07Å; W337-I429 HydrophobicContact CH2-CG2 4Å; W337-I429 HydrophobicContact CZ2-CG2 4.17Å; W337-I429 HydrophobicContact CZ3-CD1 3.68Å; W337-I429 HydrophobicContact CZ3-CG2 3.99Å; L352-I429 HydrophobicContact CD1-CD1 4.47Å; L352-I429 HydrophobicContact CD2-CD1 4.22Å; S379-I429 VanDerWaalsContact CA-O 3.24Å; S379-I429 WeakPolarHBondContact CA-O 3.38Å; S379-I429 WeakPolarHBondContact CB-O 3.24Å; S379-I429 PolarHBondContact OG-O 2.97Å; I380-I429 PolarHBondContact N-O 2.78Å; I380-I429 VanDerWaalsContact N-O 3.12Å; I380-I429 PolarHBondContact O-N 2.88Å; Y405-I429 HydrophobicContact CD2-CG2 3.74Å; Y405-I429 HydrophobicContact CE2-CG1 4.43Å; Y405-I429 HydrophobicContact CE2-CG2 3.91Å
430	V	90.8	Very high	84.9	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.3	173.8	-178.4	0	0	0	0	108.1	F377 I402 K403 L404 Y405 L457	F377-V430 HydrophobicContact CB-CG1 4.42Å; F377-V430 HydrophobicContact CD2-CG1 4Å; F377-V430 HydrophobicContact CG-CG1 4.47Å; I402-V430 HydrophobicContact CG2-CG2 4.07Å; K403-V430 PolarHBondContact O-N 2.94Å; L404-V430 HydrophobicContact CD1-CB 3.9Å; L404-V430 HydrophobicContact CD1-CG1 3.77Å; Y405-V430 PolarHBondContact N-O 2.9Å; V430-L457 HydrophobicContact CG2-CD1 4.19Å; V430-L457 HydrophobicContact CG2-CD2 4.11Å
431	D	90.1	Very high	84.3	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	106.3	178.7	-173	24.5	0	0	0	111.4	W337 K338 S378 Y405 R407 R408	W337-D431 PolarHBondContact NE1-OD2 3.16Å; K338-D431 WeakPolarHBondContact CE-OD2 3.39Å; K338-D431 PolarHBondContact NZ-O 3.25Å; K338-D431 IonicContact NZ-OD2 2.63Å; S378-D431 PolarHBondContact N-O 3.1Å; S378-D431 PolarHBondContact O-N 3.07Å; Y405-D431 WeakPolarHBondContact CB-OD1 3.16Å; Y405-D431 WeakPolarHBondContact O-CA 3.45Å; R407-D431 PolarHBondContact N-OD1 3.22Å; R408-D431 VanDerWaalsContact CG-OD2 3.27Å; R408-D431 WeakPolarHBondContact CG-OD2 3.2Å; R408-D431 PolarHBondContact N-OD1 3.2Å
432	S	86.6	Confident	83.8	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.007	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	151.5	174.2	-176.9	0	0	0	0	111.3	L376 Y405 V406 R407 E434 L435	L376-S432 PolarHBondContact O-OG 2.91Å; Y405-S432 PolarHBondContact O-N 3.15Å; Y405-S432 VanDerWaalsContact O-N 3.1Å; V406-S432 CarbonylContact C-O 3.32Å; V406-S432 VanDerWaalsContact CA-O 3.3Å; V406-S432 WeakPolarHBondContact CA-O 3.25Å; R407-S432 PolarHBondContact N-O 3.16Å; S432-E434 PolarHBondContact OG-N 3.35Å; S432-L435 PolarHBondContact OG-N 3.02Å
433	D	81.4	Confident	82.9	Confident	40 Å²	40	26.6 Å²	26.6	21%	0.214	14%	0.14	C	C	.	.	S	Bend	trans	-100.9	-8.4	170.6	-64.4	-38.5	0	0	0	112.6	K338 R407	K338-D433 IonicContact NZ-OD1 3.7Å; K338-D433 PolarHBondContact NZ-OD1 3.32Å; K338-D433 IonicContact NZ-OD2 2.71Å; K338-D433 PolarHBondContact NZ-OD2 2.81Å; R407-D433 HydrophobicContact CG-CB 4.33Å; R407-D433 PolarHBondContact NE-O 3.28Å; R407-D433 PolarHBondContact NH2-O 3.09Å
434	E	77.5	Confident	81.8	Confident	127 Å²	127	28 Å²	28	59%	0.593	15%	0.147	S	C	*	.	S	Bend	trans	-136.4	2.3	-162.1	-64.2	-177.3	158.4	0	0	115.4	L376 S432	L376-E434 WeakPolarHBondContact CD1-OE2 3.49Å; S432-E434 PolarHBondContact OG-N 3.35Å
435	L	79.9	Confident	81.2	Confident	13 Å²	13	32.9 Å²	32.9	7%	0.068	17%	0.168	C	C	.	.			trans	-61.5	137.7	173.6	-80.6	166.4	0	0	0	111.5	V375 L404 V406 S432 L444 L449 I453	V375-L435 HydrophobicContact CG1-CD2 4.48Å; L404-L435 HydrophobicContact CD1-CD1 4.21Å; L404-L435 HydrophobicContact CD2-CD1 4.38Å; V406-L435 HydrophobicContact CG2-CB 4.02Å; V406-L435 HydrophobicContact CG2-CD1 4.24Å; S432-L435 PolarHBondContact OG-N 3.02Å; L435-L444 HydrophobicContact CB-CD2 4.29Å; L435-L444 HydrophobicContact CD1-CD2 4.06Å; L435-L444 HydrophobicContact CD2-CD2 4.12Å; L435-L444 HydrophobicContact CG-CD2 4.38Å; L435-L449 HydrophobicContact CD2-CB 4.25Å; L435-L449 HydrophobicContact CD2-CD1 4.19Å; L435-I453 HydrophobicContact CD1-CD1 4.19Å; L435-I453 HydrophobicContact CD2-CD1 4.12Å
436	P	77.9	Confident	80	Confident	47 Å²	47	41.1 Å²	41.1	31%	0.305	21%	0.206	S	C	.	.			trans	-64.4	135.6	167	29.5	-32.7	0	0	0	108.8	L449	P436-L449 HydrophobicContact CG-CD1 4.41Å
437	L	76.6	Confident	78.8	Confident	24 Å²	24	44.7 Å²	44.7	13%	0.126	23%	0.225	C	C	.	.			trans	-118.9	141.5	175.2	-71.7	177.5	0	0	0	108.2	V406 I411 R441	V406-L437 HydrophobicContact CB-CD1 4Å; V406-L437 HydrophobicContact CB-CD2 4.47Å; V406-L437 HydrophobicContact CB-CG 4.46Å; V406-L437 HydrophobicContact CG1-CD1 3.92Å; V406-L437 HydrophobicContact CG1-CG 4.37Å; V406-L437 HydrophobicContact CG2-CD1 4.38Å; V406-L437 HydrophobicContact CG2-CD2 3.97Å; V406-L437 HydrophobicContact CG2-CG 4.32Å; I411-L437 HydrophobicContact CD1-CD1 3.7Å; I411-L437 HydrophobicContact CD1-CD2 3.91Å; I411-L437 HydrophobicContact CD1-CG 4.49Å; I411-L437 HydrophobicContact CG1-CD2 3.99Å; I411-L437 HydrophobicContact CG2-CD2 3.79Å; L437-R441 HydrophobicContact CB-CG 4.39Å; L437-R441 HydrophobicContact CD1-CB 4.33Å; L437-R441 HydrophobicContact CD1-CG 4.16Å
438	N	77.5	Confident	78.3	Confident	32 Å²	32	51.4 Å²	51.4	17%	0.171	25%	0.254	C	S	.	.			trans	-61.5	170.3	167.7	82.1	-6.1	0	0	0	110.9	S440 R441 E442 M443 Q445	N438-S440 VanDerWaalsContact C-N 3.3Å; N438-S440 PolarHBondContact ND2-OG 2.88Å; N438-S440 VanDerWaalsContact ND2-OG 3.16Å; N438-S440 PolarHBondContact O-N 3.37Å; N438-S440 PolarHBondContact OD1-N 2.64Å; N438-S440 PolarHBondContact OD1-OG 2.94Å; N438-R441 PolarHBondContact O-N 3.02Å; N438-R441 WeakPolarHBondContact OD1-CA 3.15Å; N438-R441 PolarHBondContact OD1-N 3Å; N438-E442 PolarHBondContact OD1-N 2.82Å; N438-M443 PolarHBondContact N-O 2.66Å; N438-M443 PolarHBondContact OD1-O 2.91Å; N438-M443 VanDerWaalsContact OD1-O 3.08Å; N438-Q445 HydrophobicContact CB-CG 4.21Å
439	V	77.7	Confident	77.9	Confident	65 Å²	65	53.3 Å²	53.3	39%	0.394	26%	0.264	S	S	.	.	S	Bend	trans	-68.6	-30.1	-174.7	-170.1	0	0	0	0	112	L93 F194 V196 R441	L93-V439 HydrophobicContact CD1-CB 3.94Å; L93-V439 HydrophobicContact CD1-CG1 3.87Å; L93-V439 HydrophobicContact CD2-CG1 4.02Å; L93-V439 HydrophobicContact CG-CG1 4.3Å; F194-V439 HydrophobicContact CD2-CG1 4.45Å; V196-V439 HydrophobicContact CG2-CG1 3.91Å; V439-R441 VanDerWaalsContact C-N 3.3Å; V439-R441 PolarHBondContact O-N 2.99Å
440	S	77.3	Confident	77.5	Confident	14 Å²	14	53.7 Å²	53.7	10%	0.098	27%	0.267	C	S	.	.	S	Bend	trans	-70.5	-25.8	175.8	82.7	0	0	0	0	112.9	L93 R102 N438 E442	L93-S440 WeakPolarHBondContact O-CB 3.42Å; R102-S440 PolarHBondContact NH2-O 2.68Å; N438-S440 VanDerWaalsContact C-N 3.3Å; N438-S440 PolarHBondContact ND2-OG 2.88Å; N438-S440 VanDerWaalsContact ND2-OG 3.16Å; N438-S440 PolarHBondContact O-N 3.37Å; N438-S440 PolarHBondContact OD1-N 2.64Å; N438-S440 PolarHBondContact OD1-OG 2.94Å; S440-E442 VanDerWaalsContact C-N 3.28Å; S440-E442 PolarHBondContact OG-N 3.05Å
441	R	75.3	Confident	77.1	Confident	24 Å²	24	60.6 Å²	60.6	9%	0.091	30%	0.296	C	S	.	.	S	Bend	trans	59.4	34.7	-173.3	-55.3	173.8	159.4	-146.5	-15.9	113.2	R102 I191 F194 I411 L437 N438 V439	R102-R441 PolarHBondContact NH1-O 3.4Å; I191-R441 PolarHBondContact O-NH1 2.71Å; I191-R441 PolarHBondContact O-NH2 2.83Å; F194-R441 HydrophobicContact CE2-CG 3.99Å; F194-R441 VanDerWaalsContact CE2-NE 3.35Å; I411-R441 HydrophobicContact CD1-CB 4.48Å; L437-R441 HydrophobicContact CB-CG 4.39Å; L437-R441 HydrophobicContact CD1-CB 4.33Å; L437-R441 HydrophobicContact CD1-CG 4.16Å; N438-R441 PolarHBondContact O-N 3.02Å; N438-R441 WeakPolarHBondContact OD1-CA 3.15Å; N438-R441 PolarHBondContact OD1-N 3Å; V439-R441 VanDerWaalsContact C-N 3.3Å; V439-R441 PolarHBondContact O-N 2.99Å
442	E	75.6	Confident	76.9	Confident	18 Å²	18	64.1 Å²	64.1	8%	0.084	31%	0.314	C	S	.	.	S	Bend	trans	-112.9	-42.7	175.8	-53.8	-162.6	93.4	0	0	110.7	K95 N96 I99 I411 S412 N438 S440	K95-E442 PolarHBondContact N-OE2 3.25Å; N96-E442 WeakPolarHBondContact CB-OE1 3.43Å; N96-E442 PolarHBondContact N-OE2 2.97Å; N96-E442 PolarHBondContact ND2-OE1 3.14Å; I99-E442 HydrophobicContact CG2-CG 4.3Å; I99-E442 VanDerWaalsContact CG2-OE1 3.31Å; I99-E442 WeakPolarHBondContact CG2-OE1 3.27Å; I411-E442 CarbonylContact C-O 3.54Å; I411-E442 WeakPolarHBondContact CG2-O 3.15Å; S412-E442 WeakPolarHBondContact CB-O 3.23Å; N438-E442 PolarHBondContact OD1-N 2.82Å; S440-E442 VanDerWaalsContact C-N 3.28Å; S440-E442 PolarHBondContact OG-N 3.05Å
443	M	70.8	Confident	77	Confident	109 Å²	109	64 Å²	64	54%	0.537	31%	0.313	S	S	.	.	S	Bend	trans	-105.1	160.7	172.3	-58.9	158.5	75.7	0	0	109.9	N438	N438-M443 PolarHBondContact N-O 2.66Å; N438-M443 PolarHBondContact OD1-O 2.91Å; N438-M443 VanDerWaalsContact OD1-O 3.08Å
444	L	69.5	Low	77.4	Confident	30 Å²	30	65.6 Å²	65.6	16%	0.157	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-78	169.4	158.9	-60.8	105.4	0	0	0	108.8	L404 L435 L450	L404-L444 HydrophobicContact CD2-CD1 3.65Å; L404-L444 HydrophobicContact CD2-CD2 4.22Å; L404-L444 HydrophobicContact CD2-CG 4.34Å; L435-L444 HydrophobicContact CB-CD2 4.29Å; L435-L444 HydrophobicContact CD1-CD2 4.06Å; L435-L444 HydrophobicContact CD2-CD2 4.12Å; L435-L444 HydrophobicContact CG-CD2 4.38Å; L444-L450 HydrophobicContact CB-CD1 4.37Å; L444-L450 HydrophobicContact CD1-CD1 4.09Å; L444-L450 HydrophobicContact CD1-CD2 4.12Å; L444-L450 HydrophobicContact CD2-CD2 4.21Å
445	Q	71.9	Confident	78	Confident	116 Å²	116	67.6 Å²	67.6	54%	0.542	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-81.6	142.9	153	-66.2	176	-103.2	0	0	106.4	N438 N447	N438-Q445 HydrophobicContact CB-CG 4.21Å; Q445-N447 PolarHBondContact O-N 3.29Å
446	Q	63.3	Low	78.5	Confident	172 Å²	172	70.2 Å²	70.2	80%	0.804	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-46.7	137.6	175	-85.8	118.1	-55.1	0	0	109.7
447	N	65.8	Low	79.2	Confident	76 Å²	76	68 Å²	68	41%	0.406	32%	0.32	S	S	.	.			trans	-163.5	139	179.7	-126.6	-100	0	0	0	113.8	Q445 L449 L450	Q445-N447 PolarHBondContact O-N 3.29Å; N447-L449 HydrophobicContact CB-CB 4.32Å; N447-L449 HydrophobicContact CB-CG 4.29Å; N447-L449 PolarHBondContact O-N 3.43Å; N447-L449 WeakPolarHBondContact OD1-CG 3.23Å; N447-L450 PolarHBondContact O-N 3.02Å
448	K	78.1	Confident	80	Confident	169 Å²	169	67.2 Å²	67.2	74%	0.735	32%	0.316	S	S	*	.	H	α-helix	trans	-42.1	-27.9	165.9	-137	147.8	-174.2	147.8	0	113	L450 M452	K448-L450 PolarHBondContact O-N 3.47Å; K448-M452 WeakPolarHBondContact O-CB 3.14Å; K448-M452 VanDerWaalsContact O-CG 3.32Å; K448-M452 WeakPolarHBondContact O-CG 3.46Å; K448-M452 PolarHBondContact O-N 2.59Å
449	L	81.2	Confident	80.8	Confident	40 Å²	40	72.7 Å²	72.7	21%	0.209	34%	0.338	C	S	.	.	H	α-helix	trans	-61.6	-31	175	-51.2	-179.1	0	0	0	114.5	V375 L435 P436 N447 I453	V375-L449 HydrophobicContact CG2-CB 3.88Å; V375-L449 HydrophobicContact CG2-CD2 3.74Å; V375-L449 HydrophobicContact CG2-CG 4.21Å; L435-L449 HydrophobicContact CD2-CB 4.25Å; L435-L449 HydrophobicContact CD2-CD1 4.19Å; P436-L449 HydrophobicContact CG-CD1 4.41Å; N447-L449 HydrophobicContact CB-CB 4.32Å; N447-L449 HydrophobicContact CB-CG 4.29Å; N447-L449 PolarHBondContact O-N 3.43Å; N447-L449 WeakPolarHBondContact OD1-CG 3.23Å; L449-I453 WeakPolarHBondContact O-CD1 3.04Å; L449-I453 VanDerWaalsContact O-CG1 3.22Å; L449-I453 WeakPolarHBondContact O-CG1 3.4Å; L449-I453 PolarHBondContact O-N 3.07Å
450	L	82.1	Confident	81.6	Confident	11 Å²	11	72.5 Å²	72.5	6%	0.058	33%	0.332	C	S	.	.	H	α-helix	trans	-75.1	-52.7	175.4	-69.7	168.7	0	0	0	110.8	L418 L444 N447 K448 M452 I453 K454	L418-L450 HydrophobicContact CD2-CD2 3.97Å; L444-L450 HydrophobicContact CB-CD1 4.37Å; L444-L450 HydrophobicContact CD1-CD1 4.09Å; L444-L450 HydrophobicContact CD1-CD2 4.12Å; L444-L450 HydrophobicContact CD2-CD2 4.21Å; N447-L450 PolarHBondContact O-N 3.02Å; K448-L450 PolarHBondContact O-N 3.47Å; L450-M452 PolarHBondContact O-N 2.97Å; L450-I453 HydrophobicContact CD2-CD1 4.39Å; L450-I453 WeakPolarHBondContact O-CA 3.46Å; L450-I453 PolarHBondContact O-N 3.21Å; L450-K454 PolarHBondContact O-N 3.04Å
451	K	83.8	Confident	82.4	Confident	144 Å²	144	71.9 Å²	71.9	63%	0.626	33%	0.327	S	S	*	.	H	α-helix	trans	-48.8	-36.2	169.5	-66.1	-174.4	179	-178.7	0	109.6	K455	K451-K455 WeakPolarHBondContact O-CG 3.44Å; K451-K455 PolarHBondContact O-N 3.25Å
452	M	85.9	Confident	83.3	Confident	74 Å²	74	71.4 Å²	71.4	37%	0.365	33%	0.327	S	S	.	.	H	α-helix	trans	-72.6	-39	170.4	-74.1	-171.8	-170.3	0	0	116.7	K448 L450 R456	K448-M452 WeakPolarHBondContact O-CB 3.14Å; K448-M452 VanDerWaalsContact O-CG 3.32Å; K448-M452 WeakPolarHBondContact O-CG 3.46Å; K448-M452 PolarHBondContact O-N 2.59Å; L450-M452 PolarHBondContact O-N 2.97Å; M452-R456 WeakPolarHBondContact O-CG 3.48Å; M452-R456 PolarHBondContact O-N 2.75Å; M452-R456 VanDerWaalsContact O-N 3.17Å
453	I	88.4	Confident	84.3	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-64.9	-45.1	175.7	-73.6	160.4	0	0	0	109.7	V375 F377 L418 L435 L449 L450 R456 L457	V375-I453 HydrophobicContact CG1-CD1 4.1Å; V375-I453 HydrophobicContact CG1-CG1 4.16Å; F377-I453 HydrophobicContact CD1-CG1 4.23Å; F377-I453 HydrophobicContact CE1-CG1 4.06Å; F377-I453 HydrophobicContact CZ-CG2 4.43Å; L418-I453 HydrophobicContact CD2-CB 4.43Å; L418-I453 HydrophobicContact CD2-CG2 3.74Å; L435-I453 HydrophobicContact CD1-CD1 4.19Å; L435-I453 HydrophobicContact CD2-CD1 4.12Å; L449-I453 WeakPolarHBondContact O-CD1 3.04Å; L449-I453 VanDerWaalsContact O-CG1 3.22Å; L449-I453 WeakPolarHBondContact O-CG1 3.4Å; L449-I453 PolarHBondContact O-N 3.07Å; L450-I453 HydrophobicContact CD2-CD1 4.39Å; L450-I453 WeakPolarHBondContact O-CA 3.46Å; L450-I453 PolarHBondContact O-N 3.21Å; I453-R456 CarbonylContact O-C 3.57Å; I453-R456 WeakPolarHBondContact O-CA 3.33Å; I453-R456 WeakPolarHBondContact O-CB 3.22Å; I453-R456 PolarHBondContact O-N 3.35Å; I453-L457 HydrophobicContact CG2-CD1 3.47Å; I453-L457 VanDerWaalsContact CG2-CD1 3.47Å; I453-L457 HydrophobicContact CG2-CG 3.96Å; I453-L457 WeakPolarHBondContact O-CG 3.33Å; I453-L457 PolarHBondContact O-N 2.91Å
454	K	89.2	Confident	85.4	Confident	72 Å²	72	68.9 Å²	68.9	31%	0.313	31%	0.314	S	S	.	.	H	α-helix	trans	-53	-56.6	174.6	-170.3	165.2	173.2	171.8	0	111.2	E416 D417 L418 L450 R456 L457 V458	E416-K454 VanDerWaalsContact O-CE 3.27Å; E416-K454 WeakPolarHBondContact O-CE 3.07Å; E416-K454 PolarHBondContact O-NZ 2.66Å; D417-K454 WeakPolarHBondContact O-CB 3.25Å; D417-K454 WeakPolarHBondContact O-CD 3.29Å; L418-K454 WeakPolarHBondContact O-CA 3.41Å; L450-K454 PolarHBondContact O-N 3.04Å; K454-R456 PolarHBondContact O-N 2.67Å; K454-R456 VanDerWaalsContact O-N 3.08Å; K454-L457 PolarHBondContact O-N 2.76Å; K454-V458 WeakPolarHBondContact O-CG2 3.32Å; K454-V458 PolarHBondContact O-N 3.48Å
455	K	90.2	Very high	86.6	Confident	170 Å²	170	67.5 Å²	67.5	74%	0.739	31%	0.306	S	S	*	.	H	α-helix	trans	-56.6	-27.3	175.6	-70.9	-179.6	-179.9	-176.8	0	113.1	K451 K459	K451-K455 WeakPolarHBondContact O-CG 3.44Å; K451-K455 PolarHBondContact O-N 3.25Å; K455-K459 WeakPolarHBondContact O-CB 3.46Å
456	R	91.3	Very high	87.6	Confident	68 Å²	68	65.6 Å²	65.6	26%	0.257	31%	0.306	S	S	.	.	H	α-helix	trans	-84.6	-33.6	174.1	-71.3	173.2	179.7	-133.1	0.1	114.2	E372 D374 F377 M452 I453 K454 K460	E372-R456 PolarHBondContact O-NH1 2.74Å; D374-R456 IonicContact OD2-NH2 3.06Å; D374-R456 PolarHBondContact OD2-NH2 3.23Å; D374-R456 VanDerWaalsContact OD2-NH2 3.1Å; F377-R456 HydrophobicContact CE1-CB 4.43Å; F377-R456 HydrophobicContact CZ-CB 4Å; M452-R456 WeakPolarHBondContact O-CG 3.48Å; M452-R456 PolarHBondContact O-N 2.75Å; M452-R456 VanDerWaalsContact O-N 3.17Å; I453-R456 CarbonylContact O-C 3.57Å; I453-R456 WeakPolarHBondContact O-CA 3.33Å; I453-R456 WeakPolarHBondContact O-CB 3.22Å; I453-R456 PolarHBondContact O-N 3.35Å; K454-R456 PolarHBondContact O-N 2.67Å; K454-R456 VanDerWaalsContact O-N 3.08Å; R456-K460 WeakPolarHBondContact O-CG 3.41Å
457	L	92.3	Very high	89.1	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-72.4	-50.7	178.4	-73.7	168.3	0	0	0	111.4	F369 F377 L381 L418 L419 V430 I453 K454 K459 K460 V461	F369-L457 HydrophobicContact CZ-CD2 4.01Å; F377-L457 HydrophobicContact CE2-CD2 4.41Å; L381-L457 HydrophobicContact CD1-CD2 3.92Å; L381-L457 HydrophobicContact CD2-CD2 4.15Å; L381-L457 HydrophobicContact CG-CD2 4.42Å; L418-L457 HydrophobicContact CB-CD1 4.04Å; L418-L457 HydrophobicContact CD2-CD1 4.41Å; L418-L457 VanDerWaalsContact O-CD1 3.23Å; L418-L457 WeakPolarHBondContact O-CD1 3.43Å; L419-L457 HydrophobicContact CD2-CB 3.71Å; V430-L457 HydrophobicContact CG2-CD1 4.19Å; V430-L457 HydrophobicContact CG2-CD2 4.11Å; I453-L457 HydrophobicContact CG2-CD1 3.47Å; I453-L457 VanDerWaalsContact CG2-CD1 3.47Å; I453-L457 HydrophobicContact CG2-CG 3.96Å; I453-L457 WeakPolarHBondContact O-CG 3.33Å; I453-L457 PolarHBondContact O-N 2.91Å; K454-L457 PolarHBondContact O-N 2.76Å; L457-K459 VanDerWaalsContact C-N 3.31Å; L457-K459 PolarHBondContact O-N 3.29Å; L457-K460 CarbonylContact O-C 3.48Å; L457-K460 WeakPolarHBondContact O-CA 3.5Å; L457-K460 WeakPolarHBondContact O-CB 3.45Å; L457-K460 PolarHBondContact O-N 3.31Å; L457-V461 PolarHBondContact O-N 2.85Å
458	V	93.3	Very high	90.4	Very high	7 Å²	7	61.3 Å²	61.3	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-52.4	-49.7	177.5	174.8	0	0	0	0	110.9	L419 P420 L423 K454 K460 V461 I462	L419-V458 HydrophobicContact CD2-CB 4.48Å; L419-V458 HydrophobicContact CD2-CG2 3.67Å; P420-V458 VanDerWaalsContact CD-CG2 3.46Å; P420-V458 HydrophobicContact CG-CG2 4.06Å; L423-V458 HydrophobicContact CD1-CB 4.4Å; L423-V458 HydrophobicContact CD1-CG1 4.1Å; L423-V458 HydrophobicContact CD1-CG2 4.18Å; K454-V458 WeakPolarHBondContact O-CG2 3.32Å; K454-V458 PolarHBondContact O-N 3.48Å; V458-K460 PolarHBondContact O-N 2.74Å; V458-V461 PolarHBondContact O-N 3.17Å; V458-I462 HydrophobicContact CG1-CD1 3.84Å; V458-I462 HydrophobicContact CG1-CG1 4.47Å; V458-I462 WeakPolarHBondContact O-CG1 3.27Å; V458-I462 PolarHBondContact O-N 2.78Å
459	K	93.8	Very high	91	Very high	148 Å²	148	55.5 Å²	55.5	64%	0.643	27%	0.265	S	S	*	.	H	α-helix	trans	-57.7	-23.2	176.5	-166	166.7	-169.4	160.9	0	113.8	K455 L457 Q463	K455-K459 WeakPolarHBondContact O-CB 3.46Å; L457-K459 VanDerWaalsContact C-N 3.31Å; L457-K459 PolarHBondContact O-N 3.29Å; K459-Q463 PolarHBondContact O-N 3.39Å
460	K	94.5	Very high	91.3	Very high	61 Å²	61	62.3 Å²	62.3	27%	0.265	30%	0.296	S	S	.	.	H	α-helix	trans	-92.4	-30.4	176.6	-70.8	-75.4	161.2	-162.4	0	113.3	I367 F369 R456 L457 V458 Q463 M464	I367-K460 HydrophobicContact CD1-CB 4.28Å; I367-K460 HydrophobicContact CD1-CD 3.93Å; F369-K460 HydrophobicContact CD1-CB 4.2Å; F369-K460 HydrophobicContact CD1-CD 4.07Å; F369-K460 HydrophobicContact CD1-CG 4.01Å; F369-K460 HydrophobicContact CD2-CD 4.15Å; F369-K460 HydrophobicContact CD2-CG 4.07Å; F369-K460 HydrophobicContact CE1-CB 3.72Å; F369-K460 HydrophobicContact CE1-CD 4.33Å; F369-K460 HydrophobicContact CE1-CG 3.76Å; F369-K460 HydrophobicContact CE2-CD 4.42Å; F369-K460 HydrophobicContact CE2-CG 3.83Å; F369-K460 HydrophobicContact CG-CD 3.98Å; F369-K460 HydrophobicContact CG-CG 4.17Å; F369-K460 HydrophobicContact CZ-CB 3.95Å; F369-K460 HydrophobicContact CZ-CG 3.67Å; R456-K460 WeakPolarHBondContact O-CG 3.41Å; L457-K460 CarbonylContact O-C 3.48Å; L457-K460 WeakPolarHBondContact O-CA 3.5Å; L457-K460 WeakPolarHBondContact O-CB 3.45Å; L457-K460 PolarHBondContact O-N 3.31Å; V458-K460 PolarHBondContact O-N 2.74Å; K460-Q463 PolarHBondContact O-N 3.37Å; K460-M464 WeakPolarHBondContact O-CB 3.23Å; K460-M464 PolarHBondContact O-N 3.46Å
461	V	94.6	Very high	91.6	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.3	-49	168.2	178.6	0	0	0	0	110.3	L381 L419 L423 V426 L457 V458 Q463 M464 I465	L381-V461 HydrophobicContact CD1-CG2 3.7Å; L419-V461 HydrophobicContact CD1-CG2 4.26Å; L419-V461 HydrophobicContact CD2-CG2 4.39Å; L423-V461 HydrophobicContact CD1-CB 4.07Å; L423-V461 HydrophobicContact CD1-CG1 4.03Å; L423-V461 HydrophobicContact CD1-CG2 4.4Å; L423-V461 HydrophobicContact CD2-CG1 3.89Å; V426-V461 HydrophobicContact CG1-CG2 4.02Å; V426-V461 HydrophobicContact CG2-CG1 3.8Å; V426-V461 HydrophobicContact CG2-CG2 4.07Å; L457-V461 PolarHBondContact O-N 2.85Å; V458-V461 PolarHBondContact O-N 3.17Å; V461-Q463 VanDerWaalsContact C-N 3.28Å; V461-Q463 PolarHBondContact O-N 2.76Å; V461-M464 WeakPolarHBondContact O-CA 3.24Å; V461-M464 WeakPolarHBondContact O-CB 3.45Å; V461-M464 PolarHBondContact O-N 2.88Å; V461-I465 HydrophobicContact CG1-CD1 3.94Å; V461-I465 HydrophobicContact CG1-CG1 4.49Å; V461-I465 WeakPolarHBondContact O-CG1 2.99Å; V461-I465 PolarHBondContact O-N 3.37Å
462	I	95	Very high	92	Very high	15 Å²	15	62.5 Å²	62.5	8%	0.077	31%	0.308	C	S	.	.	H	α-helix	trans	-56.8	-42.4	174.9	-67.8	172.2	0	0	0	111	V458 I465 S466 N494 K497 L498 F501	V458-I462 HydrophobicContact CG1-CD1 3.84Å; V458-I462 HydrophobicContact CG1-CG1 4.47Å; V458-I462 WeakPolarHBondContact O-CG1 3.27Å; V458-I462 PolarHBondContact O-N 2.78Å; I462-I465 PolarHBondContact O-N 3.07Å; I462-S466 PolarHBondContact O-N 3.24Å; I462-N494 HydrophobicContact CD1-CB 3.64Å; I462-K497 HydrophobicContact CG2-CB 4.3Å; I462-L498 HydrophobicContact CD1-CD2 4.29Å; I462-L498 HydrophobicContact CG1-CD2 4.11Å; I462-F501 HydrophobicContact CG2-CE2 4.1Å; I462-F501 HydrophobicContact CG2-CZ 4.18Å
463	Q	94.7	Very high	92.3	Very high	66 Å²	66	60 Å²	60	31%	0.308	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-46.8	172.9	-173.7	-175.7	-18.1	0	0	111.7	K459 K460 V461 I465 S466 E467	K459-Q463 PolarHBondContact O-N 3.39Å; K460-Q463 PolarHBondContact O-N 3.37Å; V461-Q463 VanDerWaalsContact C-N 3.28Å; V461-Q463 PolarHBondContact O-N 2.76Å; Q463-I465 VanDerWaalsContact C-N 3.34Å; Q463-I465 PolarHBondContact O-N 2.82Å; Q463-S466 PolarHBondContact O-N 3.44Å; Q463-S466 VanDerWaalsContact O-N 3.13Å; Q463-S466 PolarHBondContact O-OG 2.78Å; Q463-E467 PolarHBondContact NE2-OE1 2.79Å; Q463-E467 PolarHBondContact O-N 3.42Å; Q463-E467 VanDerWaalsContact O-N 3.08Å
464	M	94.5	Very high	92.5	Very high	8 Å²	8	65 Å²	65	4%	0.039	32%	0.316	C	S	.	.	H	α-helix	trans	-59.8	-41	179.3	175.2	168.4	50.5	0	0	112.6	A365 K366 I367 L381 I383 K460 V461 E467	A365-M464 HydrophobicContact CB-CG 3.81Å; A365-M464 HydrophobicContact CB-SD 3.84Å; K366-M464 VanDerWaalsContact CA-SD 3.59Å; I367-M464 HydrophobicContact CB-CB 4.16Å; I367-M464 HydrophobicContact CB-CG 4.36Å; I367-M464 HydrophobicContact CB-SD 3.95Å; I367-M464 HydrophobicContact CD1-CB 4.41Å; I367-M464 HydrophobicContact CG2-CB 4.17Å; I367-M464 HydrophobicContact CG2-CE 3.91Å; I367-M464 HydrophobicContact CG2-CG 4.49Å; I367-M464 HydrophobicContact CG2-SD 3.75Å; I367-M464 PolarHBondContact N-SD 3.26Å; L381-M464 HydrophobicContact CB-CE 4.12Å; I383-M464 HydrophobicContact CD1-CE 4Å; I383-M464 HydrophobicContact CD1-CG 4.18Å; I383-M464 HydrophobicContact CD1-SD 4.33Å; I383-M464 HydrophobicContact CG1-CE 3.63Å; I383-M464 HydrophobicContact CG1-SD 4.06Å; K460-M464 WeakPolarHBondContact O-CB 3.23Å; K460-M464 PolarHBondContact O-N 3.46Å; V461-M464 WeakPolarHBondContact O-CA 3.24Å; V461-M464 WeakPolarHBondContact O-CB 3.45Å; V461-M464 PolarHBondContact O-N 2.88Å; M464-E467 PolarHBondContact O-N 2.67Å
465	I	95	Very high	92.6	Very high	1 Å²	1	66 Å²	66	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-64.2	-42.2	174.4	-64.1	165.4	0	0	0	110.3	I383 V461 I462 Q463 E467 L468 F473 F476 I484 F501	I383-I465 HydrophobicContact CD1-CG1 3.86Å; V461-I465 HydrophobicContact CG1-CD1 3.94Å; V461-I465 HydrophobicContact CG1-CG1 4.49Å; V461-I465 WeakPolarHBondContact O-CG1 2.99Å; V461-I465 PolarHBondContact O-N 3.37Å; I462-I465 PolarHBondContact O-N 3.07Å; Q463-I465 VanDerWaalsContact C-N 3.34Å; Q463-I465 PolarHBondContact O-N 2.82Å; I465-E467 VanDerWaalsContact C-N 3.25Å; I465-E467 PolarHBondContact O-N 3.2Å; I465-L468 HydrophobicContact CG2-CD1 4.49Å; I465-L468 WeakPolarHBondContact O-CB 3.25Å; I465-L468 WeakPolarHBondContact O-CG 3.39Å; I465-L468 PolarHBondContact O-N 3.07Å; I465-F473 HydrophobicContact CG2-CD2 4.5Å; I465-F473 HydrophobicContact CG2-CE2 3.93Å; I465-F476 HydrophobicContact CD1-CE1 4.22Å; I465-F476 HydrophobicContact CD1-CE2 4.48Å; I465-F476 HydrophobicContact CD1-CZ 3.7Å; I465-F476 HydrophobicContact CG1-CE1 4.21Å; I465-F476 HydrophobicContact CG1-CE2 4.36Å; I465-F476 HydrophobicContact CG1-CZ 3.85Å; I465-F476 HydrophobicContact CG2-CD1 4.22Å; I465-F476 HydrophobicContact CG2-CE1 3.69Å; I465-F476 HydrophobicContact CG2-CZ 4.21Å; I465-I484 HydrophobicContact CD1-CD1 3.99Å; I465-F501 HydrophobicContact CB-CE1 4.46Å; I465-F501 HydrophobicContact CB-CE2 4.16Å; I465-F501 HydrophobicContact CB-CZ 4.02Å; I465-F501 HydrophobicContact CG2-CD1 3.93Å; I465-F501 HydrophobicContact CG2-CD2 3.94Å; I465-F501 HydrophobicContact CG2-CE1 3.81Å; I465-F501 HydrophobicContact CG2-CE2 3.81Å; I465-F501 HydrophobicContact CG2-CG 4.02Å; I465-F501 HydrophobicContact CG2-CZ 3.75Å
466	S	92.7	Very high	92.8	Very high	75 Å²	75	57.9 Å²	57.9	52%	0.524	29%	0.29	S	S	.	.	H	α-helix	trans	-67	-19.9	177.6	79.4	0	0	0	0	114.9	I462 Q463	I462-S466 PolarHBondContact O-N 3.24Å; Q463-S466 PolarHBondContact O-N 3.44Å; Q463-S466 VanDerWaalsContact O-N 3.13Å; Q463-S466 PolarHBondContact O-OG 2.78Å
467	E	94.2	Very high	93	Very high	133 Å²	133	55 Å²	55	62%	0.621	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-0.4	177.4	-72	-176.5	-161.2	0	0	113.4	Q463 M464 I465	Q463-E467 PolarHBondContact NE2-OE1 2.79Å; Q463-E467 PolarHBondContact O-N 3.42Å; Q463-E467 VanDerWaalsContact O-N 3.08Å; M464-E467 PolarHBondContact O-N 2.67Å; I465-E467 VanDerWaalsContact C-N 3.25Å; I465-E467 PolarHBondContact O-N 3.2Å
468	L	93.5	Very high	93	Very high	25 Å²	25	61.9 Å²	61.9	13%	0.131	31%	0.309	C	S	.	.			trans	-65.9	140.5	175.4	-67.5	178.8	0	0	0	112.5	A365 I465 Q472 F473 F476	A365-L468 HydrophobicContact CB-CD2 3.93Å; I465-L468 HydrophobicContact CG2-CD1 4.49Å; I465-L468 WeakPolarHBondContact O-CB 3.25Å; I465-L468 WeakPolarHBondContact O-CG 3.39Å; I465-L468 PolarHBondContact O-N 3.07Å; L468-Q472 HydrophobicContact CB-CB 4.4Å; L468-Q472 HydrophobicContact CD2-CB 4.05Å; L468-F473 HydrophobicContact CB-CB 4.21Å; L468-F473 HydrophobicContact CB-CD2 4.37Å; L468-F473 HydrophobicContact CD1-CD2 4.17Å; L468-F476 HydrophobicContact CD1-CB 3.87Å; L468-F476 HydrophobicContact CD1-CD1 4.2Å; L468-F476 HydrophobicContact CD1-CD2 4.41Å; L468-F476 HydrophobicContact CD1-CG 3.9Å
469	S	90.4	Very high	92.9	Very high	48 Å²	48	63.5 Å²	63.5	34%	0.336	32%	0.316	S	S	.	.			trans	-71.1	150.6	167.2	67.7	0	0	0	0	111.1	S471 Q472 F473	S469-S471 PolarHBondContact O-N 3.28Å; S469-S471 PolarHBondContact OG-OG 2.92Å; S469-Q472 CarbonylContact O-C 3.54Å; S469-Q472 WeakPolarHBondContact O-CA 3.4Å; S469-Q472 PolarHBondContact O-N 3.3Å; S469-Q472 PolarHBondContact OG-OE1 2.82Å; S469-F473 PolarHBondContact O-N 2.9Å
470	E	88.1	Confident	92.9	Very high	183 Å²	183	56.5 Å²	56.5	86%	0.855	29%	0.286	S	S	*	.	H	α-helix	trans	-44.4	-40.8	178	-66	167.7	-166.9	0	0	113.5	F473 K474	E470-F473 PolarHBondContact O-N 3.43Å; E470-K474 PolarHBondContact O-N 3.43Å
471	S	88.7	Confident	92.8	Very high	85 Å²	85	54.7 Å²	54.7	59%	0.594	28%	0.28	S	S	*	.	H	α-helix	trans	-73.5	-29.1	178.2	47.2	0	0	0	0	114.9	S469 N475	S469-S471 PolarHBondContact O-N 3.28Å; S469-S471 PolarHBondContact OG-OG 2.92Å; S471-N475 PolarHBondContact O-OD1 3.28Å
472	Q	91.4	Very high	92.7	Very high	74 Å²	74	56.8 Å²	56.8	35%	0.346	29%	0.293	S	S	.	.	H	α-helix	trans	-80	-36.2	170.4	-70.7	163.7	-85.4	0	0	110.5	L364 L468 S469 N475 F476	L364-Q472 HydrophobicContact CD1-CB 4.18Å; L364-Q472 HydrophobicContact CD1-CG 4.25Å; L364-Q472 PolarHBondContact O-NE2 3.34Å; L364-Q472 VanDerWaalsContact O-NE2 3.12Å; L468-Q472 HydrophobicContact CB-CB 4.4Å; L468-Q472 HydrophobicContact CD2-CB 4.05Å; S469-Q472 CarbonylContact O-C 3.54Å; S469-Q472 WeakPolarHBondContact O-CA 3.4Å; S469-Q472 PolarHBondContact O-N 3.3Å; S469-Q472 PolarHBondContact OG-OE1 2.82Å; Q472-N475 WeakPolarHBondContact O-CB 3.47Å; Q472-N475 PolarHBondContact O-N 3.28Å; Q472-F476 WeakPolarHBondContact O-CB 3.37Å; Q472-F476 PolarHBondContact O-N 3.13Å
473	F	93.6	Very high	92.6	Very high	20 Å²	20	56.3 Å²	56.3	9%	0.088	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-39.3	177.7	-168	-81.4	0	0	0	111.6	I465 L468 S469 E470 N475 F476 W477 F501 R503	I465-F473 HydrophobicContact CG2-CD2 4.5Å; I465-F473 HydrophobicContact CG2-CE2 3.93Å; L468-F473 HydrophobicContact CB-CB 4.21Å; L468-F473 HydrophobicContact CB-CD2 4.37Å; L468-F473 HydrophobicContact CD1-CD2 4.17Å; S469-F473 PolarHBondContact O-N 2.9Å; E470-F473 PolarHBondContact O-N 3.43Å; F473-N475 VanDerWaalsContact C-N 3.26Å; F473-N475 PolarHBondContact O-N 3.01Å; F473-F476 HydrophobicContact CD2-CD1 4.42Å; F473-F476 HydrophobicContact CE2-CD1 4.15Å; F473-F476 PolarHBondContact O-N 2.62Å; F473-W477 HydrophobicContact CD1-CB 4.4Å; F473-W477 HydrophobicContact CE1-CB 4.06Å; F473-W477 HydrophobicContact CE1-CD2 4.48Å; F473-W477 HydrophobicContact CE1-CE3 4.23Å; F473-W477 HydrophobicContact CE1-CG 4.4Å; F473-W477 HydrophobicContact CZ-CE3 4.13Å; F473-W477 VanDerWaalsContact O-CB 3.31Å; F473-W477 WeakPolarHBondContact O-CB 3.23Å; F473-W477 PolarHBondContact O-N 3.41Å; F473-F501 HydrophobicContact CE2-CB 4.24Å; F473-F501 AromaticContact CE2-CD1 3.9Å; F473-F501 HydrophobicContact CE2-CD1 3.9Å; F473-F501 HydrophobicContact CE2-CG 4.31Å; F473-F501 HydrophobicContact CZ-CB 3.9Å; F473-F501 HydrophobicContact CZ-CD1 4.32Å; F473-F501 HydrophobicContact CZ-CG 4.45Å; F473-F501 VanDerWaalsContact CZ-O 3.28Å; F473-F501 WeakPolarHBondContact CZ-O 2.95Å; F473-R503 HydrophobicContact CE1-CG 3.76Å
474	K	91.6	Very high	92.6	Very high	106 Å²	106	53.1 Å²	53.1	46%	0.461	28%	0.276	S	S	.	.	H	α-helix	trans	-64.7	-29.6	173.5	-172.9	165.8	-172.7	173.2	0	112.9	E470 K478 N512	E470-K474 PolarHBondContact O-N 3.43Å; K474-K478 PolarHBondContact O-N 2.97Å; K474-N512 PolarHBondContact NZ-OD1 3.48Å; K474-N512 VanDerWaalsContact NZ-OD1 3.1Å
475	N	91.4	Very high	92.6	Very high	93 Å²	93	52.9 Å²	52.9	50%	0.497	28%	0.275	S	S	.	.	H	α-helix	trans	-73.1	-52.9	170.8	-75	32.9	0	0	0	110.1	S471 Q472 F473 W477 K478 E479	S471-N475 PolarHBondContact O-OD1 3.28Å; Q472-N475 WeakPolarHBondContact O-CB 3.47Å; Q472-N475 PolarHBondContact O-N 3.28Å; F473-N475 VanDerWaalsContact C-N 3.26Å; F473-N475 PolarHBondContact O-N 3.01Å; N475-W477 VanDerWaalsContact C-N 3.27Å; N475-W477 PolarHBondContact O-N 3.37Å; N475-K478 WeakPolarHBondContact O-CB 3.47Å; N475-K478 PolarHBondContact O-N 3.42Å; N475-E479 VanDerWaalsContact O-CG 3.28Å; N475-E479 WeakPolarHBondContact O-CG 3.09Å; N475-E479 PolarHBondContact O-N 2.91Å
476	F	95	Very high	92.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-48.2	-47.8	175.8	178.1	-105.3	0	0	0	112.4	L364 I383 F425 I465 L468 Q472 F473 K478 E479 Y480 I484	L364-F476 HydrophobicContact CD2-CB 3.93Å; L364-F476 HydrophobicContact CD2-CD2 4.28Å; I383-F476 HydrophobicContact CD1-CD2 4.41Å; I383-F476 HydrophobicContact CD1-CE2 4.07Å; I383-F476 HydrophobicContact CG2-CD2 4.06Å; I383-F476 HydrophobicContact CG2-CE2 4.04Å; F425-F476 AromaticContact CE2-CE2 3.93Å; F425-F476 HydrophobicContact CE2-CE2 3.93Å; F425-F476 HydrophobicContact CE2-CZ 4.45Å; F425-F476 HydrophobicContact CZ-CE2 4.07Å; F425-F476 HydrophobicContact CZ-CZ 4.13Å; I465-F476 HydrophobicContact CD1-CE1 4.22Å; I465-F476 HydrophobicContact CD1-CE2 4.48Å; I465-F476 HydrophobicContact CD1-CZ 3.7Å; I465-F476 HydrophobicContact CG1-CE1 4.21Å; I465-F476 HydrophobicContact CG1-CE2 4.36Å; I465-F476 HydrophobicContact CG1-CZ 3.85Å; I465-F476 HydrophobicContact CG2-CD1 4.22Å; I465-F476 HydrophobicContact CG2-CE1 3.69Å; I465-F476 HydrophobicContact CG2-CZ 4.21Å; L468-F476 HydrophobicContact CD1-CB 3.87Å; L468-F476 HydrophobicContact CD1-CD1 4.2Å; L468-F476 HydrophobicContact CD1-CD2 4.41Å; L468-F476 HydrophobicContact CD1-CG 3.9Å; Q472-F476 WeakPolarHBondContact O-CB 3.37Å; Q472-F476 PolarHBondContact O-N 3.13Å; F473-F476 HydrophobicContact CD2-CD1 4.42Å; F473-F476 HydrophobicContact CE2-CD1 4.15Å; F473-F476 PolarHBondContact O-N 2.62Å; F476-K478 VanDerWaalsContact C-N 3.28Å; F476-K478 PolarHBondContact O-N 3.38Å; F476-E479 PolarHBondContact O-N 2.87Å; F476-E479 VanDerWaalsContact O-N 3.17Å; F476-Y480 AromaticContact CD2-CD2 3.4Å; F476-Y480 HydrophobicContact CD2-CD2 3.4Å; F476-Y480 VanDerWaalsContact CD2-CD2 3.4Å; F476-Y480 HydrophobicContact CD2-CE2 4.05Å; F476-Y480 HydrophobicContact CD2-CG 4.27Å; F476-Y480 AromaticContact CE2-CD2 3.54Å; F476-Y480 HydrophobicContact CE2-CD2 3.54Å; F476-Y480 HydrophobicContact CE2-CE2 4.34Å; F476-Y480 AromaticContact CE2-CG 3.99Å; F476-Y480 HydrophobicContact CE2-CG 3.99Å; F476-Y480 HydrophobicContact CG-CD2 4.28Å; F476-Y480 PolarHBondContact O-N 3.28Å; F476-I484 HydrophobicContact CE1-CD1 4.3Å; F476-I484 HydrophobicContact CE1-CG1 3.95Å; F476-I484 HydrophobicContact CZ-CD1 4.05Å; F476-I484 HydrophobicContact CZ-CG1 3.96Å
477	W	94.6	Very high	92.5	Very high	8 Å²	8	51 Å²	51	3%	0.03	26%	0.258	C	S	.	.	H	α-helix	trans	-68.7	-18.5	179.1	-167.1	-97.8	0	0	0	114.5	F473 N475 S481 I484 L502 R503	F473-W477 HydrophobicContact CD1-CB 4.4Å; F473-W477 HydrophobicContact CE1-CB 4.06Å; F473-W477 HydrophobicContact CE1-CD2 4.48Å; F473-W477 HydrophobicContact CE1-CE3 4.23Å; F473-W477 HydrophobicContact CE1-CG 4.4Å; F473-W477 HydrophobicContact CZ-CE3 4.13Å; F473-W477 VanDerWaalsContact O-CB 3.31Å; F473-W477 WeakPolarHBondContact O-CB 3.23Å; F473-W477 PolarHBondContact O-N 3.41Å; N475-W477 VanDerWaalsContact C-N 3.27Å; N475-W477 PolarHBondContact O-N 3.37Å; W477-S481 VanDerWaalsContact O-CB 3.27Å; W477-S481 WeakPolarHBondContact O-CB 3.36Å; W477-I484 HydrophobicContact CH2-CG2 4.41Å; W477-I484 HydrophobicContact CZ3-CB 3.94Å; W477-I484 HydrophobicContact CZ3-CG2 3.77Å; W477-L502 HydrophobicContact CH2-CD2 3.85Å; W477-R503 HydrophobicContact CD2-CB 4.21Å; W477-R503 HydrophobicContact CD2-CG 4.09Å; W477-R503 HydrophobicContact CG-CB 4.25Å; W477-R503 HydrophobicContact CG-CG 4.12Å; W477-R503 PolarHBondContact NE1-O 2.9Å
478	K	91.6	Very high	92.5	Very high	144 Å²	144	44.6 Å²	44.6	63%	0.626	23%	0.229	S	C	*	.	H	α-helix	trans	-84.3	-13.9	174.5	-161.4	-135.9	128.9	-69.5	0	112.7	K474 N475 F476	K474-K478 PolarHBondContact O-N 2.97Å; N475-K478 WeakPolarHBondContact O-CB 3.47Å; N475-K478 PolarHBondContact O-N 3.42Å; F476-K478 VanDerWaalsContact C-N 3.28Å; F476-K478 PolarHBondContact O-N 3.38Å
479	E	91.5	Very high	92.5	Very high	41 Å²	41	46 Å²	46	19%	0.192	24%	0.236	C	C	.	.	H	α-helix	trans	-119.8	-24.3	-169.5	-48.9	-72.2	129.2	0	0	111.8	H386 N475 F476	H386-E479 IonicContact CE1-OE2 3.6Å; H386-E479 IonicContact CG-OE2 3.03Å; H386-E479 IonicContact ND1-OE2 3.97Å; H386-E479 PolarHBondContact ND1-OE2 2.63Å; N475-E479 VanDerWaalsContact O-CG 3.28Å; N475-E479 WeakPolarHBondContact O-CG 3.09Å; N475-E479 PolarHBondContact O-N 2.91Å; F476-E479 PolarHBondContact O-N 2.87Å; F476-E479 VanDerWaalsContact O-N 3.17Å
480	Y	93.8	Very high	92.5	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	24%	0.241	C	C	.	.	S	Bend	trans	-136.9	30	-177.5	-47.4	-77.1	0	0	0	112.8	I383 P384 H386 P387 I391 F425 F476 I484	I383-Y480 HydrophobicContact CG2-CD2 4.48Å; I383-Y480 HydrophobicContact CG2-CE2 3.92Å; P384-Y480 WeakPolarHBondContact CG-OH 3.45Å; P384-Y480 PolarHBondContact O-OH 2.72Å; H386-Y480 PolarHBondContact O-OH 3.17Å; P387-Y480 HydrophobicContact CB-CE1 4.08Å; I391-Y480 HydrophobicContact CD1-CD1 4.21Å; I391-Y480 HydrophobicContact CD1-CE1 4.23Å; F425-Y480 HydrophobicContact CB-CD1 4Å; F425-Y480 HydrophobicContact CB-CE1 3.76Å; F425-Y480 HydrophobicContact CD1-CD1 4.11Å; F425-Y480 HydrophobicContact CD2-CD1 4.02Å; F425-Y480 HydrophobicContact CD2-CE1 4.02Å; F425-Y480 HydrophobicContact CD2-CG 4.43Å; F425-Y480 AromaticContact CG-CD1 3.77Å; F425-Y480 HydrophobicContact CG-CD1 3.77Å; F425-Y480 AromaticContact CG-CE1 3.92Å; F425-Y480 HydrophobicContact CG-CE1 3.92Å; F425-Y480 HydrophobicContact CG-CG 4.5Å; F476-Y480 AromaticContact CD2-CD2 3.4Å; F476-Y480 HydrophobicContact CD2-CD2 3.4Å; F476-Y480 VanDerWaalsContact CD2-CD2 3.4Å; F476-Y480 HydrophobicContact CD2-CE2 4.05Å; F476-Y480 HydrophobicContact CD2-CG 4.27Å; F476-Y480 AromaticContact CE2-CD2 3.54Å; F476-Y480 HydrophobicContact CE2-CD2 3.54Å; F476-Y480 HydrophobicContact CE2-CE2 4.34Å; F476-Y480 AromaticContact CE2-CG 3.99Å; F476-Y480 HydrophobicContact CE2-CG 3.99Å; F476-Y480 HydrophobicContact CG-CD2 4.28Å; F476-Y480 PolarHBondContact O-N 3.28Å; Y480-I484 WeakPolarHBondContact O-CG1 3.12Å; Y480-I484 PolarHBondContact O-N 3.35Å
481	S	93.2	Very high	92.6	Very high	22 Å²	22	39.9 Å²	39.9	15%	0.154	21%	0.205	C	C	.	.	H	α-helix	trans	-60.5	-48.9	174.7	41.5	0	0	0	0	111.4	W477 I484 K485	W477-S481 VanDerWaalsContact O-CB 3.27Å; W477-S481 WeakPolarHBondContact O-CB 3.36Å; S481-I484 PolarHBondContact O-N 3.1Å; S481-K485 WeakPolarHBondContact O-CG 3.39Å; S481-K485 PolarHBondContact O-N 2.84Å; S481-K485 VanDerWaalsContact O-N 3.15Å
482	V	92.1	Very high	92.7	Very high	45 Å²	45	40 Å²	40	27%	0.273	20%	0.199	S	C	.	.	H	α-helix	trans	-57.6	-51.5	-178.8	179.8	0	0	0	0	110.5	F392 I484 K485 L486 V564	F392-V482 HydrophobicContact CE1-CB 4.36Å; F392-V482 HydrophobicContact CE1-CG1 3.91Å; F392-V482 HydrophobicContact CZ-CB 3.9Å; F392-V482 HydrophobicContact CZ-CG1 3.87Å; V482-I484 PolarHBondContact O-N 3.28Å; V482-I484 VanDerWaalsContact O-N 3.13Å; V482-K485 WeakPolarHBondContact O-CA 3.16Å; V482-K485 WeakPolarHBondContact O-CB 3.4Å; V482-K485 PolarHBondContact O-N 2.84Å; V482-L486 HydrophobicContact CG1-CD1 4.05Å; V482-L486 HydrophobicContact CG1-CG 4.27Å; V482-L486 PolarHBondContact O-N 2.95Å; V482-V564 HydrophobicContact CG1-CG1 4.38Å; V482-V564 HydrophobicContact CG2-CG1 4.43Å
483	N	93	Very high	92.7	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-56.1	-33.4	178	-53.2	96.3	0	0	0	113.5	F392 Y422 F425 G487	F392-N483 WeakPolarHBondContact CE1-ND2 3.44Å; Y422-N483 WeakPolarHBondContact CB-O 3.44Å; Y422-N483 WeakPolarHBondContact CD2-O 3.35Å; Y422-N483 WeakPolarHBondContact O-CB 3.15Å; F425-N483 HydrophobicContact CD1-CB 4.01Å; F425-N483 HydrophobicContact CE1-CB 3.88Å; N483-G487 PolarHBondContact O-N 3.16Å
484	I	94.9	Very high	92.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-82.8	-15.9	178.2	-62	-67.1	0	0	0	112.6	I465 F476 W477 Y480 S481 V482 I488 L498 F501	I465-I484 HydrophobicContact CD1-CD1 3.99Å; F476-I484 HydrophobicContact CE1-CD1 4.3Å; F476-I484 HydrophobicContact CE1-CG1 3.95Å; F476-I484 HydrophobicContact CZ-CD1 4.05Å; F476-I484 HydrophobicContact CZ-CG1 3.96Å; W477-I484 HydrophobicContact CH2-CG2 4.41Å; W477-I484 HydrophobicContact CZ3-CB 3.94Å; W477-I484 HydrophobicContact CZ3-CG2 3.77Å; Y480-I484 WeakPolarHBondContact O-CG1 3.12Å; Y480-I484 PolarHBondContact O-N 3.35Å; S481-I484 PolarHBondContact O-N 3.1Å; V482-I484 PolarHBondContact O-N 3.28Å; V482-I484 VanDerWaalsContact O-N 3.13Å; I484-I488 WeakPolarHBondContact O-CD1 3.33Å; I484-I488 WeakPolarHBondContact O-CG1 3.31Å; I484-L498 HydrophobicContact CD1-CD2 4.29Å; I484-F501 HydrophobicContact CG2-CB 3.99Å; I484-F501 HydrophobicContact CG2-CD2 4.5Å
485	K	94.7	Very high	92.7	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-84.7	-42.1	169.6	-63.8	174.3	-167.7	-172.1	0	111.6	S481 V482 G487 I488 I489 L502 D562 V564 D565 M568	S481-K485 WeakPolarHBondContact O-CG 3.39Å; S481-K485 PolarHBondContact O-N 2.84Å; S481-K485 VanDerWaalsContact O-N 3.15Å; V482-K485 WeakPolarHBondContact O-CA 3.16Å; V482-K485 WeakPolarHBondContact O-CB 3.4Å; V482-K485 PolarHBondContact O-N 2.84Å; K485-G487 PolarHBondContact O-N 3.46Å; K485-I488 WeakPolarHBondContact O-CA 3.1Å; K485-I488 WeakPolarHBondContact O-CB 3.32Å; K485-I488 PolarHBondContact O-N 3.39Å; K485-I489 PolarHBondContact O-N 3Å; K485-L502 HydrophobicContact CG-CD2 4.15Å; K485-D562 IonicContact NZ-OD2 2.71Å; K485-D562 PolarHBondContact NZ-OD2 3.03Å; K485-V564 HydrophobicContact CB-CG2 3.86Å; K485-V564 HydrophobicContact CD-CG1 3.6Å; K485-V564 HydrophobicContact CD-CG2 4.36Å; K485-D565 WeakPolarHBondContact CE-OD1 3.4Å; K485-D565 IonicContact NZ-OD1 3.38Å; K485-D565 PolarHBondContact NZ-OD1 3.29Å; K485-D565 IonicContact NZ-OD2 3.75Å; K485-D565 PolarHBondContact NZ-OD2 2.94Å; K485-M568 HydrophobicContact CB-CB 4.32Å; K485-M568 HydrophobicContact CB-CG 4.11Å; K485-M568 HydrophobicContact CG-CG 4.39Å
486	L	92.2	Very high	92.7	Very high	36 Å²	36	39 Å²	39	19%	0.188	21%	0.205	C	C	.	.	H	α-helix	trans	-53.4	-53.7	170.8	-66.1	174	0	0	0	109.6	F392 V482 I488 I489 D490 V564	F392-L486 HydrophobicContact CE1-CD1 4.36Å; V482-L486 HydrophobicContact CG1-CD1 4.05Å; V482-L486 HydrophobicContact CG1-CG 4.27Å; V482-L486 PolarHBondContact O-N 2.95Å; L486-I488 PolarHBondContact O-N 3.13Å; L486-I489 CarbonylContact O-C 3.59Å; L486-I489 VanDerWaalsContact O-CA 3.3Å; L486-I489 WeakPolarHBondContact O-CA 3.4Å; L486-I489 VanDerWaalsContact O-CB 3.25Å; L486-I489 WeakPolarHBondContact O-CB 3.31Å; L486-I489 PolarHBondContact O-N 2.95Å; L486-D490 PolarHBondContact O-N 3.14Å; L486-V564 HydrophobicContact CD2-CG2 4.03Å; L486-V564 HydrophobicContact CG-CG2 4.43Å
487	G	93.1	Very high	92.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-5.1	174.4	0	0	0	0	0	117.1	N483 K485 D491 L498	N483-G487 PolarHBondContact O-N 3.16Å; K485-G487 PolarHBondContact O-N 3.46Å; G487-D491 WeakPolarHBondContact O-CB 3.36Å; G487-D491 PolarHBondContact O-N 3.17Å; G487-L498 WeakPolarHBondContact O-CD1 3.48Å
488	I	94.3	Very high	92.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-89.8	-20.7	169.3	-75	168.6	0	0	0	111.7	I484 K485 L486 R495 L498 L502 M568 L572	I484-I488 WeakPolarHBondContact O-CD1 3.33Å; I484-I488 WeakPolarHBondContact O-CG1 3.31Å; K485-I488 WeakPolarHBondContact O-CA 3.1Å; K485-I488 WeakPolarHBondContact O-CB 3.32Å; K485-I488 PolarHBondContact O-N 3.39Å; L486-I488 PolarHBondContact O-N 3.13Å; I488-R495 HydrophobicContact CG2-CG 4.21Å; I488-R495 WeakPolarHBondContact O-CD 3.39Å; I488-L498 HydrophobicContact CD1-CB 4.08Å; I488-L498 HydrophobicContact CG1-CB 3.59Å; I488-L502 HydrophobicContact CD1-CD1 3.8Å; I488-L502 HydrophobicContact CD1-CD2 3.6Å; I488-L502 HydrophobicContact CD1-CG 3.65Å; I488-M568 HydrophobicContact CB-CG 4.12Å; I488-M568 HydrophobicContact CG2-CG 3.7Å; I488-M568 HydrophobicContact CG2-SD 4.1Å; I488-L572 HydrophobicContact CG2-CB 4.15Å
489	I	92.7	Very high	92.6	Very high	53 Å²	53	36.3 Å²	36.3	27%	0.272	20%	0.195	S	C	.	.	H	α-helix	trans	-80.2	-70.1	166.5	-52.3	169.3	0	0	0	107.8	K485 L486 D491	K485-I489 PolarHBondContact O-N 3Å; L486-I489 CarbonylContact O-C 3.59Å; L486-I489 VanDerWaalsContact O-CA 3.3Å; L486-I489 WeakPolarHBondContact O-CA 3.4Å; L486-I489 VanDerWaalsContact O-CB 3.25Å; L486-I489 WeakPolarHBondContact O-CB 3.31Å; L486-I489 PolarHBondContact O-N 2.95Å; I489-D491 PolarHBondContact O-N 2.89Å
490	D	90.1	Very high	92.7	Very high	85 Å²	85	39.7 Å²	39.7	46%	0.455	21%	0.209	S	C	.	.	S	Bend	trans	-71.4	-27.1	-170.5	25.1	-65.9	0	0	0	116.4	Y422 L486	Y422-D490 WeakPolarHBondContact CB-OD2 3.42Å; Y422-D490 WeakPolarHBondContact CD1-OD2 3.47Å; L486-D490 PolarHBondContact O-N 3.14Å
491	D	91.4	Very high	92.7	Very high	18 Å²	18	40.4 Å²	40.4	10%	0.096	21%	0.212	C	C	.	.			trans	-107.4	65.6	-176.6	-167.9	-19	0	0	0	112	Y422 G487 I489 P493 N494 R495 L498	Y422-D491 HydrophobicContact CD1-CB 4.33Å; Y422-D491 HydrophobicContact CE1-CB 3.49Å; Y422-D491 VanDerWaalsContact CE1-CB 3.49Å; Y422-D491 WeakPolarHBondContact CE1-OD2 3.39Å; Y422-D491 PolarHBondContact OH-OD2 3.45Å; G487-D491 WeakPolarHBondContact O-CB 3.36Å; G487-D491 PolarHBondContact O-N 3.17Å; I489-D491 PolarHBondContact O-N 2.89Å; D491-P493 VanDerWaalsContact C-CD 3.49Å; D491-P493 WeakPolarHBondContact OD1-CG 3.12Å; D491-N494 HydrophobicContact CB-CB 4.47Å; D491-N494 CarbonylContact O-C 3.1Å; D491-N494 WeakPolarHBondContact O-CA 3.31Å; D491-N494 PolarHBondContact O-N 2.9Å; D491-N494 VanDerWaalsContact OD1-CB 3.26Å; D491-N494 WeakPolarHBondContact OD1-CB 3.34Å; D491-N494 PolarHBondContact OD1-N 3.12Å; D491-N494 PolarHBondContact OD1-ND2 3.07Å; D491-N494 WeakPolarHBondContact OD2-CB 3.41Å; D491-N494 PolarHBondContact OD2-ND2 2.89Å; D491-R495 PolarHBondContact O-N 2.93Å; D491-L498 HydrophobicContact CB-CD1 4.36Å
492	L	90.7	Very high	92.8	Very high	88 Å²	88	39.4 Å²	39.4	46%	0.461	21%	0.205	S	C	.	.	H	α-helix	trans	-40.7	-50.6	174.6	-63.6	176.6	0	0	0	113.9	N494 R495	L492-N494 VanDerWaalsContact C-N 3.28Å; L492-N494 PolarHBondContact O-N 3.41Å; L492-R495 WeakPolarHBondContact O-CB 3.4Å; L492-R495 PolarHBondContact O-N 3.48Å
493	P	90.8	Very high	92.9	Very high	101 Å²	101	39.8 Å²	39.8	66%	0.656	20%	0.202	S	C	*	.	H	α-helix	trans	-70.9	-17.6	179.9	27.1	-34.5	0	0	0	113.8	D491 K497	D491-P493 VanDerWaalsContact C-CD 3.49Å; D491-P493 WeakPolarHBondContact OD1-CG 3.12Å; P493-K497 PolarHBondContact O-NZ 3.49Å
494	N	92.9	Very high	93	Very high	23 Å²	23	40 Å²	40	12%	0.123	20%	0.202	C	C	.	.	H	α-helix	trans	-104.4	-5.2	170.7	-61	-69.4	0	0	0	115.1	I462 D491 L492 T496 K497 L498	I462-N494 HydrophobicContact CD1-CB 3.64Å; D491-N494 HydrophobicContact CB-CB 4.47Å; D491-N494 CarbonylContact O-C 3.1Å; D491-N494 WeakPolarHBondContact O-CA 3.31Å; D491-N494 PolarHBondContact O-N 2.9Å; D491-N494 VanDerWaalsContact OD1-CB 3.26Å; D491-N494 WeakPolarHBondContact OD1-CB 3.34Å; D491-N494 PolarHBondContact OD1-N 3.12Å; D491-N494 PolarHBondContact OD1-ND2 3.07Å; D491-N494 WeakPolarHBondContact OD2-CB 3.41Å; D491-N494 PolarHBondContact OD2-ND2 2.89Å; L492-N494 VanDerWaalsContact C-N 3.28Å; L492-N494 PolarHBondContact O-N 3.41Å; N494-T496 VanDerWaalsContact C-N 3.34Å; N494-T496 PolarHBondContact O-N 3.18Å; N494-K497 HydrophobicContact CB-CD 4.49Å; N494-K497 CarbonylContact O-C 3.59Å; N494-K497 VanDerWaalsContact O-CA 3.29Å; N494-K497 WeakPolarHBondContact O-CA 3.19Å; N494-K497 VanDerWaalsContact O-CB 3.25Å; N494-K497 WeakPolarHBondContact O-CB 3.26Å; N494-K497 PolarHBondContact O-N 2.87Å; N494-K497 WeakPolarHBondContact OD1-CD 3.41Å; N494-K497 WeakPolarHBondContact OD1-CE 3.43Å; N494-K497 PolarHBondContact OD1-NZ 3.41Å; N494-L498 HydrophobicContact CB-CD1 4.06Å; N494-L498 HydrophobicContact CB-CG 4.33Å; N494-L498 WeakPolarHBondContact O-CG 3Å; N494-L498 PolarHBondContact O-N 3.44Å
495	R	91.8	Very high	92.9	Very high	62 Å²	62	42.4 Å²	42.4	23%	0.234	21%	0.211	C	C	.	.	H	α-helix	trans	-40.4	-54.5	173.6	-175.7	166.4	56.3	168.3	-9.1	113.1	I488 D491 L492 K497 L498 S499 S571 L572	I488-R495 HydrophobicContact CG2-CG 4.21Å; I488-R495 WeakPolarHBondContact O-CD 3.39Å; D491-R495 PolarHBondContact O-N 2.93Å; L492-R495 WeakPolarHBondContact O-CB 3.4Å; L492-R495 PolarHBondContact O-N 3.48Å; R495-K497 PolarHBondContact O-N 2.94Å; R495-K497 VanDerWaalsContact O-N 3.11Å; R495-L498 PolarHBondContact O-N 2.95Å; R495-S499 WeakPolarHBondContact O-CB 3.36Å; R495-S499 PolarHBondContact O-N 3.09Å; R495-S499 PolarHBondContact O-OG 2.98Å; R495-S571 WeakPolarHBondContact CD-O 3.21Å; R495-S571 PolarHBondContact NH1-O 3.3Å; R495-L572 HydrophobicContact CG-CD1 4.42Å
496	T	91.2	Very high	92.9	Very high	85 Å²	85	42.4 Å²	42.4	52%	0.521	21%	0.211	S	C	.	.	H	α-helix	trans	-64.3	-17.1	178.2	-54.6	0	0	0	0	114	N494 K500	N494-T496 VanDerWaalsContact C-N 3.34Å; N494-T496 PolarHBondContact O-N 3.18Å; T496-K500 PolarHBondContact O-NZ 3.24Å
497	K	92.6	Very high	92.9	Very high	91 Å²	91	42.4 Å²	42.4	40%	0.396	21%	0.214	S	C	.	.	H	α-helix	trans	-92.3	-42.3	175.4	-44.6	-175	-169.6	81.4	0	110.6	I462 P493 N494 R495 K500	I462-K497 HydrophobicContact CG2-CB 4.3Å; P493-K497 PolarHBondContact O-NZ 3.49Å; N494-K497 HydrophobicContact CB-CD 4.49Å; N494-K497 CarbonylContact O-C 3.59Å; N494-K497 VanDerWaalsContact O-CA 3.29Å; N494-K497 WeakPolarHBondContact O-CA 3.19Å; N494-K497 VanDerWaalsContact O-CB 3.25Å; N494-K497 WeakPolarHBondContact O-CB 3.26Å; N494-K497 PolarHBondContact O-N 2.87Å; N494-K497 WeakPolarHBondContact OD1-CD 3.41Å; N494-K497 WeakPolarHBondContact OD1-CE 3.43Å; N494-K497 PolarHBondContact OD1-NZ 3.41Å; R495-K497 PolarHBondContact O-N 2.94Å; R495-K497 VanDerWaalsContact O-N 3.11Å; K497-K500 WeakPolarHBondContact O-CB 3.42Å; K497-K500 PolarHBondContact O-N 2.83Å
498	L	94.3	Very high	92.7	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-72.2	-34.9	-179.2	-65.2	167.4	0	0	0	112.4	Y422 I462 I484 G487 I488 D491 N494 R495 K500 F501	Y422-L498 HydrophobicContact CE2-CD1 3.99Å; Y422-L498 HydrophobicContact CE2-CD2 4.29Å; I462-L498 HydrophobicContact CD1-CD2 4.29Å; I462-L498 HydrophobicContact CG1-CD2 4.11Å; I484-L498 HydrophobicContact CD1-CD2 4.29Å; G487-L498 WeakPolarHBondContact O-CD1 3.48Å; I488-L498 HydrophobicContact CD1-CB 4.08Å; I488-L498 HydrophobicContact CG1-CB 3.59Å; D491-L498 HydrophobicContact CB-CD1 4.36Å; N494-L498 HydrophobicContact CB-CD1 4.06Å; N494-L498 HydrophobicContact CB-CG 4.33Å; N494-L498 WeakPolarHBondContact O-CG 3Å; N494-L498 PolarHBondContact O-N 3.44Å; R495-L498 PolarHBondContact O-N 2.95Å; L498-K500 PolarHBondContact O-N 2.88Å; L498-F501 HydrophobicContact CD2-CD2 3.99Å; L498-F501 HydrophobicContact CD2-CE2 4.11Å; L498-F501 WeakPolarHBondContact O-CA 3.46Å; L498-F501 VanDerWaalsContact O-CB 3.32Å; L498-F501 WeakPolarHBondContact O-CB 3.34Å; L498-F501 PolarHBondContact O-N 3.29Å
499	S	93.5	Very high	92	Very high	5 Å²	5	49.2 Å²	49.2	4%	0.035	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-21.1	174.6	67.3	0	0	0	0	113.9	R495 F501 L502	R495-S499 WeakPolarHBondContact O-CB 3.36Å; R495-S499 PolarHBondContact O-N 3.09Å; R495-S499 PolarHBondContact O-OG 2.98Å; S499-F501 VanDerWaalsContact C-N 3.29Å; S499-F501 PolarHBondContact O-N 2.84Å; S499-L502 WeakPolarHBondContact O-CB 3.11Å
500	K	92.8	Very high	91.1	Very high	112 Å²	112	49.7 Å²	49.7	49%	0.487	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-14.9	173.3	-59.1	-178.9	169.9	73.8	0	113.1	T496 K497 L498 R503	T496-K500 PolarHBondContact O-NZ 3.24Å; K497-K500 WeakPolarHBondContact O-CB 3.42Å; K497-K500 PolarHBondContact O-N 2.83Å; L498-K500 PolarHBondContact O-N 2.88Å; K500-R503 PolarHBondContact O-NH1 2.93Å; K500-R503 PolarHBondContact O-NH2 3.5Å
501	F	94.7	Very high	90.6	Very high	16 Å²	16	53.3 Å²	53.3	7%	0.07	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-23.9	174.9	-59.2	-40.1	0	0	0	113.2	I462 I465 F473 I484 L498 S499 R503	I462-F501 HydrophobicContact CG2-CE2 4.1Å; I462-F501 HydrophobicContact CG2-CZ 4.18Å; I465-F501 HydrophobicContact CB-CE1 4.46Å; I465-F501 HydrophobicContact CB-CE2 4.16Å; I465-F501 HydrophobicContact CB-CZ 4.02Å; I465-F501 HydrophobicContact CG2-CD1 3.93Å; I465-F501 HydrophobicContact CG2-CD2 3.94Å; I465-F501 HydrophobicContact CG2-CE1 3.81Å; I465-F501 HydrophobicContact CG2-CE2 3.81Å; I465-F501 HydrophobicContact CG2-CG 4.02Å; I465-F501 HydrophobicContact CG2-CZ 3.75Å; F473-F501 HydrophobicContact CE2-CB 4.24Å; F473-F501 AromaticContact CE2-CD1 3.9Å; F473-F501 HydrophobicContact CE2-CD1 3.9Å; F473-F501 HydrophobicContact CE2-CG 4.31Å; F473-F501 HydrophobicContact CZ-CB 3.9Å; F473-F501 HydrophobicContact CZ-CD1 4.32Å; F473-F501 HydrophobicContact CZ-CG 4.45Å; F473-F501 VanDerWaalsContact CZ-O 3.28Å; F473-F501 WeakPolarHBondContact CZ-O 2.95Å; I484-F501 HydrophobicContact CG2-CB 3.99Å; I484-F501 HydrophobicContact CG2-CD2 4.5Å; L498-F501 HydrophobicContact CD2-CD2 3.99Å; L498-F501 HydrophobicContact CD2-CE2 4.11Å; L498-F501 WeakPolarHBondContact O-CA 3.46Å; L498-F501 VanDerWaalsContact O-CB 3.32Å; L498-F501 WeakPolarHBondContact O-CB 3.34Å; L498-F501 PolarHBondContact O-N 3.29Å; S499-F501 VanDerWaalsContact C-N 3.29Å; S499-F501 PolarHBondContact O-N 2.84Å; F501-R503 VanDerWaalsContact O-CZ 3.25Å; F501-R503 PolarHBondContact O-N 3.48Å; F501-R503 PolarHBondContact O-NH1 3Å
502	L	95	Very high	90.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.288	C	S	.	.			trans	-47.6	133.3	176.1	-68.3	175.1	0	0	0	113.2	W477 K485 I488 S499 F504 S515 L516 M568 L572	W477-L502 HydrophobicContact CH2-CD2 3.85Å; K485-L502 HydrophobicContact CG-CD2 4.15Å; I488-L502 HydrophobicContact CD1-CD1 3.8Å; I488-L502 HydrophobicContact CD1-CD2 3.6Å; I488-L502 HydrophobicContact CD1-CG 3.65Å; S499-L502 WeakPolarHBondContact O-CB 3.11Å; L502-F504 HydrophobicContact CB-CD2 4.47Å; L502-F504 HydrophobicContact CB-CE2 3.68Å; L502-F504 HydrophobicContact CB-CZ 3.92Å; L502-F504 HydrophobicContact CD1-CE2 3.89Å; L502-F504 HydrophobicContact CD1-CZ 3.87Å; L502-F504 HydrophobicContact CD2-CE2 4.42Å; L502-F504 HydrophobicContact CD2-CZ 3.8Å; L502-F504 HydrophobicContact CG-CE2 4.21Å; L502-F504 HydrophobicContact CG-CZ 4.07Å; L502-S515 WeakPolarHBondContact O-CA 3.47Å; L502-L516 HydrophobicContact CB-CD1 4.42Å; L502-L516 HydrophobicContact CD1-CD1 3.73Å; L502-M568 HydrophobicContact CD1-SD 3.97Å; L502-M568 HydrophobicContact CD2-SD 4.35Å; L502-L572 HydrophobicContact CD1-CD2 3.58Å
503	R	94	Very high	90.3	Very high	54 Å²	54	54.6 Å²	54.6	20%	0.204	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	122	172.8	-50.7	-68.6	174.7	-102.7	-2.1	110.2	F473 W477 K500 F501 Q513 S514	F473-R503 HydrophobicContact CE1-CG 3.76Å; W477-R503 HydrophobicContact CD2-CB 4.21Å; W477-R503 HydrophobicContact CD2-CG 4.09Å; W477-R503 HydrophobicContact CG-CB 4.25Å; W477-R503 HydrophobicContact CG-CG 4.12Å; W477-R503 PolarHBondContact NE1-O 2.9Å; K500-R503 PolarHBondContact O-NH1 2.93Å; K500-R503 PolarHBondContact O-NH2 3.5Å; F501-R503 VanDerWaalsContact O-CZ 3.25Å; F501-R503 PolarHBondContact O-N 3.48Å; F501-R503 PolarHBondContact O-NH1 3Å; R503-Q513 HydrophobicContact CB-CB 3.8Å; R503-S514 WeakPolarHBondContact CA-O 3.16Å
504	F	94.2	Very high	90.3	Very high	7 Å²	7	50.5 Å²	50.5	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	156.7	-178.1	-56.3	-68.9	0	0	0	112.2	L502 Q513 S514 L516 I558 M560 D565 M568	L502-F504 HydrophobicContact CB-CD2 4.47Å; L502-F504 HydrophobicContact CB-CE2 3.68Å; L502-F504 HydrophobicContact CB-CZ 3.92Å; L502-F504 HydrophobicContact CD1-CE2 3.89Å; L502-F504 HydrophobicContact CD1-CZ 3.87Å; L502-F504 HydrophobicContact CD2-CE2 4.42Å; L502-F504 HydrophobicContact CD2-CZ 3.8Å; L502-F504 HydrophobicContact CG-CE2 4.21Å; L502-F504 HydrophobicContact CG-CZ 4.07Å; F504-Q513 CarbonylContact O-C 3.59Å; F504-Q513 WeakPolarHBondContact O-CA 3.26Å; F504-Q513 WeakPolarHBondContact O-CB 3.46Å; F504-S514 PolarHBondContact N-O 2.77Å; F504-S514 PolarHBondContact O-N 3.31Å; F504-L516 HydrophobicContact CD2-CD2 3.88Å; F504-L516 HydrophobicContact CD2-CG 4.29Å; F504-L516 HydrophobicContact CE2-CD1 4.27Å; F504-L516 HydrophobicContact CE2-CD2 3.87Å; F504-L516 HydrophobicContact CE2-CG 4.04Å; F504-I558 HydrophobicContact CB-CG2 3.34Å; F504-I558 HydrophobicContact CD2-CG2 4.03Å; F504-I558 HydrophobicContact CG-CG2 3.75Å; F504-M560 HydrophobicContact CD1-CE 4.16Å; F504-M560 HydrophobicContact CD1-CG 3.88Å; F504-M560 HydrophobicContact CD2-CE 4.05Å; F504-M560 HydrophobicContact CE1-CE 3.88Å; F504-M560 HydrophobicContact CE1-CG 4.02Å; F504-M560 HydrophobicContact CE2-CE 3.74Å; F504-M560 HydrophobicContact CG-CE 4.25Å; F504-M560 HydrophobicContact CG-CG 4.5Å; F504-M560 HydrophobicContact CZ-CE 3.66Å; F504-D565 WeakPolarHBondContact CE1-OD1 3.34Å; F504-M568 HydrophobicContact CE1-CE 4.29Å; F504-M568 HydrophobicContact CZ-CE 3.84Å
505	W	94	Very high	90.3	Very high	52 Å²	52	50 Å²	50	20%	0.197	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	151.7	170.2	-56.1	100.9	0	0	0	109.7	Q513 I538 Y559	W505-Q513 HydrophobicContact CD2-CG 3.57Å; W505-Q513 HydrophobicContact CE3-CG 3.97Å; W505-Q513 HydrophobicContact CG-CG 3.97Å; W505-Q513 HydrophobicContact CH2-CG 4.33Å; W505-Q513 HydrophobicContact CZ2-CG 3.93Å; W505-Q513 HydrophobicContact CZ3-CG 4.34Å; W505-I538 HydrophobicContact CD2-CD1 3.83Å; W505-I538 HydrophobicContact CE3-CD1 4.5Å; W505-I538 HydrophobicContact CG-CD1 3.87Å; W505-I538 HydrophobicContact CZ2-CD1 4.3Å; W505-Y559 HydrophobicContact CB-CD2 4.5Å; W505-Y559 PolarHBondContact O-N 3.38Å
506	T	94.5	Very high	90.4	Very high	1 Å²	1	47 Å²	47	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	161.9	177.8	80.7	0	0	0	0	112.7	N508 S509 T510 E556 V557 I558	T506-N508 PolarHBondContact O-N 2.92Å; T506-N508 VanDerWaalsContact O-N 3.1Å; T506-N508 PolarHBondContact OG1-N 2.9Å; T506-S509 PolarHBondContact N-O 2.75Å; T506-S509 CarbonylContact O-C 3.5Å; T506-S509 VanDerWaalsContact O-C 3.25Å; T506-S509 PolarHBondContact O-N 2.75Å; T506-S509 VanDerWaalsContact O-O 3.09Å; T506-S509 PolarHBondContact OG1-N 3.29Å; T506-S509 VanDerWaalsContact OG1-N 3.17Å; T506-T510 WeakPolarHBondContact O-CG2 3.46Å; T506-E556 WeakPolarHBondContact CB-OE1 3.47Å; T506-E556 WeakPolarHBondContact CG2-OE1 3.49Å; T506-E556 PolarHBondContact OG1-OE1 2.98Å; T506-V557 CarbonylContact C-O 3.25Å; T506-V557 VanDerWaalsContact CA-O 3.25Å; T506-V557 WeakPolarHBondContact CA-O 3.36Å; T506-V557 WeakPolarHBondContact CB-O 3.35Å; T506-I558 HydrophobicContact CG2-CG1 4.43Å
507	S	92.4	Very high	90.5	Very high	36 Å²	36	45.3 Å²	45.3	25%	0.252	23%	0.234	S	C	.	.	S	Bend	trans	-61.4	-15.1	174.6	65.8	0	0	0	0	114.2	V557	S507-V557 PolarHBondContact N-O 3.19Å; S507-V557 PolarHBondContact OG-N 2.9Å
508	N	87.9	Confident	90.4	Very high	108 Å²	108	44.5 Å²	44.5	58%	0.578	23%	0.234	S	C	*	.	S	Bend	trans	-92.7	-37.5	175.4	-168.7	2	0	0	0	112.1	T506 E556	T506-N508 PolarHBondContact O-N 2.92Å; T506-N508 VanDerWaalsContact O-N 3.1Å; T506-N508 PolarHBondContact OG1-N 2.9Å; N508-E556 HydrophobicContact CB-CG 3.83Å; N508-E556 WeakPolarHBondContact CB-OE1 3.45Å; N508-E556 VanDerWaalsContact CB-OE2 3.3Å; N508-E556 WeakPolarHBondContact CB-OE2 3.43Å; N508-E556 PolarHBondContact ND2-OE2 3.11Å
509	S	79.6	Confident	90.4	Very high	36 Å²	36	44.5 Å²	44.5	25%	0.252	23%	0.234	S	C	.	.			trans	-131.1	106.9	179.2	-177.8	0	0	0	0	111.9	T506 N512	T506-S509 PolarHBondContact N-O 2.75Å; T506-S509 CarbonylContact O-C 3.5Å; T506-S509 VanDerWaalsContact O-C 3.25Å; T506-S509 PolarHBondContact O-N 2.75Å; T506-S509 VanDerWaalsContact O-O 3.09Å; T506-S509 PolarHBondContact OG1-N 3.29Å; T506-S509 VanDerWaalsContact OG1-N 3.17Å; S509-N512 WeakPolarHBondContact CB-O 3.4Å; S509-N512 PolarHBondContact OG-O 3.22Å
510	T	74.6	Confident	90.4	Very high	62 Å²	62	46 Å²	46	38%	0.38	24%	0.243	S	C	.	.	S	Bend	trans	-110.1	0.3	-177	62.1	0	0	0	0	113.6	T506 K542 Y559	T506-T510 WeakPolarHBondContact O-CG2 3.46Å; T510-K542 VanDerWaalsContact CG2-CE 3.45Å; T510-Y559 HydrophobicContact CG2-CE2 4.5Å
511	E	79.2	Confident	90.4	Very high	161 Å²	161	45.2 Å²	45.2	75%	0.752	25%	0.251	S	S	*	.	S	Bend	trans	-105.2	-15.7	170.7	-68	-176.1	180	0	0	112.7
512	N	85.6	Confident	90.3	Very high	78 Å²	78	48.7 Å²	48.7	42%	0.417	26%	0.264	S	S	.	.	S	Bend	trans	-143.2	128.1	177.1	-63.6	-83.3	0	0	0	109.7	K474 S509	K474-N512 PolarHBondContact NZ-OD1 3.48Å; K474-N512 VanDerWaalsContact NZ-OD1 3.1Å; S509-N512 WeakPolarHBondContact CB-O 3.4Å; S509-N512 PolarHBondContact OG-O 3.22Å
513	Q	90.8	Very high	90.1	Very high	56 Å²	56	50.3 Å²	50.3	26%	0.262	27%	0.272	S	S	.	.			trans	-60.7	154.6	167.8	-62.5	156.7	-41.6	0	0	110.8	R503 F504 W505	R503-Q513 HydrophobicContact CB-CB 3.8Å; F504-Q513 CarbonylContact O-C 3.59Å; F504-Q513 WeakPolarHBondContact O-CA 3.26Å; F504-Q513 WeakPolarHBondContact O-CB 3.46Å; W505-Q513 HydrophobicContact CD2-CG 3.57Å; W505-Q513 HydrophobicContact CE3-CG 3.97Å; W505-Q513 HydrophobicContact CG-CG 3.97Å; W505-Q513 HydrophobicContact CH2-CG 4.33Å; W505-Q513 HydrophobicContact CZ2-CG 3.93Å; W505-Q513 HydrophobicContact CZ3-CG 4.34Å
514	S	91.3	Very high	89.9	Confident	15 Å²	15	51.8 Å²	51.8	11%	0.105	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	159	173.6	72.5	0	0	0	0	111.2	R503 F504 R522	R503-S514 WeakPolarHBondContact CA-O 3.16Å; F504-S514 PolarHBondContact N-O 2.77Å; F504-S514 PolarHBondContact O-N 3.31Å; S514-R522 PolarHBondContact OG-NH2 3.15Å
515	S	93.1	Very high	89.3	Confident	11 Å²	11	59.8 Å²	59.8	8%	0.077	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	160.9	177.7	72.4	0	0	0	0	112.6	L502 A517 D518 Y519	L502-S515 WeakPolarHBondContact O-CA 3.47Å; S515-A517 PolarHBondContact O-N 2.83Å; S515-A517 PolarHBondContact OG-N 2.78Å; S515-D518 VanDerWaalsContact CB-OD2 3.29Å; S515-D518 WeakPolarHBondContact CB-OD2 3.41Å; S515-D518 PolarHBondContact N-OD2 2.67Å; S515-D518 WeakPolarHBondContact O-CB 3.19Å; S515-D518 PolarHBondContact O-N 3.43Å; S515-D518 VanDerWaalsContact O-N 3.07Å; S515-D518 PolarHBondContact OG-N 3.35Å; S515-D518 PolarHBondContact OG-OD2 2.83Å; S515-Y519 PolarHBondContact O-N 2.94Å
516	L	93.3	Very high	88.7	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-57	-39.4	169.7	-66.6	178	0	0	0	111.5	L502 F504 D518 Y519 V520 I558 L572 Y575	L502-L516 HydrophobicContact CB-CD1 4.42Å; L502-L516 HydrophobicContact CD1-CD1 3.73Å; F504-L516 HydrophobicContact CD2-CD2 3.88Å; F504-L516 HydrophobicContact CD2-CG 4.29Å; F504-L516 HydrophobicContact CE2-CD1 4.27Å; F504-L516 HydrophobicContact CE2-CD2 3.87Å; F504-L516 HydrophobicContact CE2-CG 4.04Å; L516-D518 PolarHBondContact O-N 3.18Å; L516-Y519 WeakPolarHBondContact O-CB 3.22Å; L516-Y519 PolarHBondContact O-N 2.85Å; L516-V520 WeakPolarHBondContact O-CG2 3.19Å; L516-V520 PolarHBondContact O-N 2.77Å; L516-I558 HydrophobicContact CD2-CD1 3.57Å; L516-L572 HydrophobicContact CD1-CD2 4.28Å; L516-Y575 HydrophobicContact CB-CD1 3.77Å; L516-Y575 HydrophobicContact CB-CD2 4.03Å; L516-Y575 HydrophobicContact CB-CE1 3.53Å; L516-Y575 HydrophobicContact CB-CE2 3.8Å; L516-Y575 HydrophobicContact CB-CG 4.01Å; L516-Y575 HydrophobicContact CD1-CD1 4.44Å; L516-Y575 HydrophobicContact CD1-CD2 3.48Å; L516-Y575 VanDerWaalsContact CD1-CD2 3.48Å; L516-Y575 HydrophobicContact CD1-CE2 3.83Å; L516-Y575 HydrophobicContact CD1-CG 3.82Å; L516-Y575 HydrophobicContact CG-CD2 4.41Å; L516-Y575 HydrophobicContact CG-CE2 4.46Å
517	A	92.4	Very high	88.4	Confident	49 Å²	49	61.2 Å²	61.2	41%	0.405	35%	0.35	S	S	.	.	H	α-helix	trans	-61.7	-40.1	172.9	0	0	0	0	0	113	S515 V520 S521 Y575	S515-A517 PolarHBondContact O-N 2.83Å; S515-A517 PolarHBondContact OG-N 2.78Å; A517-V520 PolarHBondContact O-N 2.7Å; A517-S521 PolarHBondContact O-N 2.82Å; A517-Y575 PolarHBondContact N-OH 2.94Å
518	D	92	Very high	88.2	Confident	73 Å²	73	63.9 Å²	63.9	39%	0.39	36%	0.358	S	S	.	.	H	α-helix	trans	-66.3	-39.1	175.3	-61.7	-60.3	0	0	0	111	S515 L516 S521 R522	S515-D518 VanDerWaalsContact CB-OD2 3.29Å; S515-D518 WeakPolarHBondContact CB-OD2 3.41Å; S515-D518 PolarHBondContact N-OD2 2.67Å; S515-D518 WeakPolarHBondContact O-CB 3.19Å; S515-D518 PolarHBondContact O-N 3.43Å; S515-D518 VanDerWaalsContact O-N 3.07Å; S515-D518 PolarHBondContact OG-N 3.35Å; S515-D518 PolarHBondContact OG-OD2 2.83Å; L516-D518 PolarHBondContact O-N 3.18Å; D518-S521 PolarHBondContact O-N 2.97Å; D518-S521 PolarHBondContact O-OG 2.75Å; D518-R522 VanDerWaalsContact CB-NH1 3.33Å; D518-R522 WeakPolarHBondContact O-CG 3.18Å; D518-R522 PolarHBondContact O-N 3.16Å; D518-R522 PolarHBondContact O-NH1 3.26Å
519	Y	94.4	Very high	88.4	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-62.6	-49.7	174.2	174.3	-80.6	0	0	0	111.2	S515 L516 S521 R522 M523 Q527 I530 Y531 E556 I558	S515-Y519 PolarHBondContact O-N 2.94Å; L516-Y519 WeakPolarHBondContact O-CB 3.22Å; L516-Y519 PolarHBondContact O-N 2.85Å; Y519-S521 PolarHBondContact O-N 3.08Å; Y519-R522 CarbonylContact O-C 3.59Å; Y519-R522 WeakPolarHBondContact O-CA 3.38Å; Y519-R522 WeakPolarHBondContact O-CB 3.48Å; Y519-R522 PolarHBondContact O-N 2.9Å; Y519-M523 HydrophobicContact CD1-CG 3.88Å; Y519-M523 HydrophobicContact CD1-SD 4.12Å; Y519-M523 HydrophobicContact CE1-CE 4.4Å; Y519-M523 HydrophobicContact CE1-CG 3.52Å; Y519-M523 HydrophobicContact CE1-SD 3.77Å; Y519-M523 PolarHBondContact O-N 2.71Å; Y519-M523 VanDerWaalsContact O-N 3.07Å; Y519-Q527 PolarHBondContact OH-NE2 2.85Å; Y519-I530 HydrophobicContact CD1-CG1 4.26Å; Y519-I530 HydrophobicContact CD1-CG2 4.2Å; Y519-I530 HydrophobicContact CE1-CB 4.1Å; Y519-I530 HydrophobicContact CE1-CG1 3.87Å; Y519-I530 HydrophobicContact CE1-CG2 3.78Å; Y519-Y531 PolarHBondContact OH-N 2.58Å; Y519-E556 HydrophobicContact CD2-CB 4.21Å; Y519-E556 HydrophobicContact CD2-CG 3.96Å; Y519-E556 HydrophobicContact CE2-CB 3.71Å; Y519-E556 HydrophobicContact CE2-CG 3.84Å; Y519-E556 PolarHBondContact OH-O 3.12Å; Y519-I558 HydrophobicContact CD2-CD1 4.05Å; Y519-I558 HydrophobicContact CD2-CG1 3.75Å; Y519-I558 HydrophobicContact CE2-CD1 4.31Å; Y519-I558 HydrophobicContact CE2-CG1 3.8Å; Y519-I558 HydrophobicContact CG-CD1 4.18Å; Y519-I558 HydrophobicContact CG-CG1 4.39Å
520	V	92.9	Very high	89.1	Confident	37 Å²	37	58.2 Å²	58.2	22%	0.224	33%	0.325	C	S	.	.	H	α-helix	trans	-57.4	-38.4	176.8	172.8	0	0	0	0	111	L516 A517 R522 M523 I530 Y575	L516-V520 WeakPolarHBondContact O-CG2 3.19Å; L516-V520 PolarHBondContact O-N 2.77Å; A517-V520 PolarHBondContact O-N 2.7Å; V520-R522 PolarHBondContact O-N 2.81Å; V520-R522 VanDerWaalsContact O-N 3.12Å; V520-M523 HydrophobicContact CB-SD 4.27Å; V520-M523 HydrophobicContact CG1-SD 4.39Å; V520-M523 HydrophobicContact CG2-SD 3.95Å; V520-M523 PolarHBondContact O-N 2.65Å; V520-I530 HydrophobicContact CG2-CD1 4.17Å; V520-Y575 HydrophobicContact CG2-CD1 4.12Å; V520-Y575 HydrophobicContact CG2-CE1 4.29Å
521	S	92.4	Very high	90.1	Very high	95 Å²	95	55.8 Å²	55.8	66%	0.664	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.5	174.6	84.9	0	0	0	0	115	A517 D518 Y519	A517-S521 PolarHBondContact O-N 2.82Å; D518-S521 PolarHBondContact O-N 2.97Å; D518-S521 PolarHBondContact O-OG 2.75Å; Y519-S521 PolarHBondContact O-N 3.08Å
522	R	92.6	Very high	90.8	Very high	89 Å²	89	49.1 Å²	49.1	34%	0.336	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-6.7	178	-63.6	-172	-58.2	-90.1	9.2	113.9	S514 D518 Y519 V520 E556	S514-R522 PolarHBondContact OG-NH2 3.15Å; D518-R522 VanDerWaalsContact CB-NH1 3.33Å; D518-R522 WeakPolarHBondContact O-CG 3.18Å; D518-R522 PolarHBondContact O-N 3.16Å; D518-R522 PolarHBondContact O-NH1 3.26Å; Y519-R522 CarbonylContact O-C 3.59Å; Y519-R522 WeakPolarHBondContact O-CA 3.38Å; Y519-R522 WeakPolarHBondContact O-CB 3.48Å; Y519-R522 PolarHBondContact O-N 2.9Å; V520-R522 PolarHBondContact O-N 2.81Å; V520-R522 VanDerWaalsContact O-N 3.12Å; R522-E556 IonicContact CZ-OE1 3.68Å; R522-E556 IonicContact CZ-OE2 2.71Å; R522-E556 IonicContact NE-OE1 3.56Å; R522-E556 PolarHBondContact NE-OE1 3.32Å; R522-E556 IonicContact NE-OE2 3.69Å; R522-E556 PolarHBondContact NE-OE2 2.92Å; R522-E556 IonicContact NH2-OE1 2.66Å; R522-E556 PolarHBondContact NH2-OE1 2.74Å; R522-E556 IonicContact NH2-OE2 2.67Å
523	M	91.2	Very high	91.2	Very high	34 Å²	34	45.6 Å²	45.6	17%	0.167	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-57.1	151.1	177.5	-74	177.6	79.5	0	0	111.5	Y519 V520 Q527 D529 I530 K578	Y519-M523 HydrophobicContact CD1-CG 3.88Å; Y519-M523 HydrophobicContact CD1-SD 4.12Å; Y519-M523 HydrophobicContact CE1-CE 4.4Å; Y519-M523 HydrophobicContact CE1-CG 3.52Å; Y519-M523 HydrophobicContact CE1-SD 3.77Å; Y519-M523 PolarHBondContact O-N 2.71Å; Y519-M523 VanDerWaalsContact O-N 3.07Å; V520-M523 HydrophobicContact CB-SD 4.27Å; V520-M523 HydrophobicContact CG1-SD 4.39Å; V520-M523 HydrophobicContact CG2-SD 3.95Å; V520-M523 PolarHBondContact O-N 2.65Å; M523-Q527 HydrophobicContact CE-CB 4.22Å; M523-Q527 HydrophobicContact CE-CG 3.67Å; M523-D529 VanDerWaalsContact CE-O 3.27Å; M523-D529 WeakPolarHBondContact CE-O 3.16Å; M523-I530 HydrophobicContact CE-CG1 4.37Å; M523-I530 HydrophobicContact SD-CG1 4.22Å; M523-K578 HydrophobicContact CE-CD 3.72Å; M523-K578 HydrophobicContact CE-CG 4.44Å; M523-K578 HydrophobicContact SD-CD 4Å; M523-K578 HydrophobicContact SD-CG 4.35Å
524	K	89.3	Confident	91.4	Very high	85 Å²	85	43.2 Å²	43.2	37%	0.37	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-82	150.5	-179.4	-72	177.1	172.9	174.1	0	111.9	G526 Q527 K553 G554 Y555	K524-G526 PolarHBondContact O-N 3.24Å; K524-Q527 HydrophobicContact CB-CB 4.19Å; K524-Q527 VanDerWaalsContact O-CB 3.3Å; K524-Q527 WeakPolarHBondContact O-CB 3.37Å; K524-Q527 PolarHBondContact O-N 2.63Å; K524-K553 PolarHBondContact NZ-O 3.42Å; K524-G554 WeakPolarHBondContact CE-O 3.47Å; K524-G554 PolarHBondContact NZ-O 3.04Å; K524-Y555 HydrophobicContact CD-CD1 4.13Å; K524-Y555 HydrophobicContact CD-CE1 4.13Å
525	N	82.4	Confident	91.4	Very high	175 Å²	175	42.7 Å²	42.7	94%	0.936	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	125	161.4	-91.4	24.3	0	0	0	109.3
526	G	80.9	Confident	91.3	Very high	67 Å²	67	44.6 Å²	44.6	69%	0.691	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	12.4	-174.3	0	0	0	0	0	114.6	K524	K524-G526 PolarHBondContact O-N 3.24Å
527	Q	89.1	Confident	91.2	Very high	15 Å²	15	46.9 Å²	46.9	7%	0.07	28%	0.276	C	S	.	.			trans	-97.2	118.5	164.8	-172.3	179.9	-11.5	0	0	109.2	Y519 M523 K524 D529 Y531 Y555	Y519-Q527 PolarHBondContact OH-NE2 2.85Å; M523-Q527 HydrophobicContact CE-CB 4.22Å; M523-Q527 HydrophobicContact CE-CG 3.67Å; K524-Q527 HydrophobicContact CB-CB 4.19Å; K524-Q527 VanDerWaalsContact O-CB 3.3Å; K524-Q527 WeakPolarHBondContact O-CB 3.37Å; K524-Q527 PolarHBondContact O-N 2.63Å; Q527-D529 WeakPolarHBondContact CG-O 3.21Å; Q527-D529 PolarHBondContact NE2-O 3.29Å; Q527-Y531 HydrophobicContact CG-CE2 4.09Å; Q527-Y555 HydrophobicContact CB-CE1 4.11Å; Q527-Y555 HydrophobicContact CG-CD1 4.12Å; Q527-Y555 HydrophobicContact CG-CE1 4.05Å
528	E	87	Confident	91.1	Very high	93 Å²	93	46.3 Å²	46.3	44%	0.435	27%	0.266	S	S	.	.			trans	-95.7	-34	-179.4	-71.5	150.1	-141.3	0	0	112.3	K578 K592	E528-K578 WeakPolarHBondContact O-CD 2.96Å; E528-K578 PolarHBondContact O-NZ 3.08Å; E528-K592 IonicContact OE1-NZ 2.97Å; E528-K592 PolarHBondContact OE1-NZ 3.41Å; E528-K592 IonicContact OE2-NZ 3.4Å; E528-K592 PolarHBondContact OE2-NZ 2.97Å
529	D	91.8	Very high	91.1	Very high	24 Å²	24	46.3 Å²	46.3	13%	0.128	28%	0.276	C	S	.	.	S	Bend	trans	-104.5	149.2	-171.6	-54.6	-22.2	0	0	0	113.2	M523 Q527 Y531 R581	M523-D529 VanDerWaalsContact CE-O 3.27Å; M523-D529 WeakPolarHBondContact CE-O 3.16Å; Q527-D529 WeakPolarHBondContact CG-O 3.21Å; Q527-D529 PolarHBondContact NE2-O 3.29Å; D529-Y531 HydrophobicContact CB-CD1 4.28Å; D529-Y531 HydrophobicContact CB-CE1 3.79Å; D529-R581 HydrophobicContact CB-CB 4.14Å; D529-R581 WeakPolarHBondContact OD2-CD 3.28Å; D529-R581 IonicContact OD2-CZ 3.31Å; D529-R581 IonicContact OD2-NE 2.85Å; D529-R581 IonicContact OD2-NH1 2.66Å; D529-R581 PolarHBondContact OD2-NH1 3.36Å
530	I	94.7	Very high	91	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	108.3	165.7	-63.4	174.7	0	0	0	108	Y519 V520 M523 I558 Y575 K578 K579 L580 R581	Y519-I530 HydrophobicContact CD1-CG1 4.26Å; Y519-I530 HydrophobicContact CD1-CG2 4.2Å; Y519-I530 HydrophobicContact CE1-CB 4.1Å; Y519-I530 HydrophobicContact CE1-CG1 3.87Å; Y519-I530 HydrophobicContact CE1-CG2 3.78Å; V520-I530 HydrophobicContact CG2-CD1 4.17Å; M523-I530 HydrophobicContact CE-CG1 4.37Å; M523-I530 HydrophobicContact SD-CG1 4.22Å; I530-I558 HydrophobicContact CG2-CD1 3.55Å; I530-I558 HydrophobicContact CG2-CG1 4.41Å; I530-Y575 HydrophobicContact CD1-CD1 4.36Å; I530-K578 HydrophobicContact CD1-CB 3.87Å; I530-K578 HydrophobicContact CG1-CB 3.82Å; I530-K579 PolarHBondContact N-O 3.34Å; I530-L580 HydrophobicContact CB-CG 4.26Å; I530-L580 HydrophobicContact CD1-CD1 4.24Å; I530-L580 HydrophobicContact CG2-CG 4.32Å; I530-R581 PolarHBondContact O-N 3.27Å
531	Y	95	Very high	91	Very high	11 Å²	11	47.5 Å²	47.5	4%	0.043	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	125.5	179.3	-58	-58	0	0	0	111	Y519 Q527 D529 L550 Y555 V557 I558 V583 I588	Y519-Y531 PolarHBondContact OH-N 2.58Å; Q527-Y531 HydrophobicContact CG-CE2 4.09Å; D529-Y531 HydrophobicContact CB-CD1 4.28Å; D529-Y531 HydrophobicContact CB-CE1 3.79Å; Y531-L550 HydrophobicContact CD1-CD2 4.32Å; Y531-L550 HydrophobicContact CD2-CD2 3.57Å; Y531-L550 HydrophobicContact CE2-CD2 3.79Å; Y531-L550 HydrophobicContact CG-CD2 3.87Å; Y531-Y555 HydrophobicContact CD2-CD1 4.45Å; Y531-Y555 HydrophobicContact CD2-CG 4.46Å; Y531-Y555 AromaticContact CE2-CD1 3.93Å; Y531-Y555 HydrophobicContact CE2-CD1 3.93Å; Y531-Y555 HydrophobicContact CE2-CE1 4.33Å; Y531-Y555 HydrophobicContact CE2-CG 4.14Å; Y531-V557 WeakPolarHBondContact O-CA 3.25Å; Y531-I558 PolarHBondContact O-N 2.71Å; Y531-V583 HydrophobicContact CD1-CG1 4.48Å; Y531-I588 HydrophobicContact CE1-CG2 4.17Å
532	Y	94.8	Very high	90.9	Very high	22 Å²	22	47.4 Å²	47.4	9%	0.086	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	158.2	175.2	71.7	-98.2	0	0	0	111.8	T534 I558 M560 L569 L580 R581 N582 V583	Y532-T534 HydrophobicContact CD2-CG2 4.32Å; Y532-T534 HydrophobicContact CE2-CG2 4.24Å; Y532-I558 CarbonylContact C-O 3.47Å; Y532-I558 WeakPolarHBondContact CA-O 3.29Å; Y532-M560 HydrophobicContact CD2-SD 4.06Å; Y532-M560 HydrophobicContact CG-SD 4.25Å; Y532-L569 HydrophobicContact CD1-CD2 4.02Å; Y532-L569 HydrophobicContact CD2-CD1 3.74Å; Y532-L569 HydrophobicContact CD2-CD2 4.46Å; Y532-L569 HydrophobicContact CE1-CD1 4.23Å; Y532-L569 HydrophobicContact CE1-CD2 3.59Å; Y532-L569 HydrophobicContact CE1-CG 4.49Å; Y532-L569 HydrophobicContact CE2-CD1 3.16Å; Y532-L569 HydrophobicContact CE2-CD2 4.11Å; Y532-L569 HydrophobicContact CE2-CG 4.22Å; Y532-L569 HydrophobicContact CG-CD1 4.48Å; Y532-L569 HydrophobicContact CG-CD2 4.42Å; Y532-L569 VanDerWaalsContact CZ-CD1 3.42Å; Y532-L580 HydrophobicContact CD1-CB 3.97Å; Y532-L580 HydrophobicContact CE1-CB 3.78Å; Y532-R581 VanDerWaalsContact CE1-C 3.42Å; Y532-R581 PolarHBondContact N-O 3.1Å; Y532-R581 VanDerWaalsContact N-O 3.13Å; Y532-N582 HydrophobicContact CD2-CB 4.26Å; Y532-N582 HydrophobicContact CE1-CB 4.21Å; Y532-N582 VanDerWaalsContact CE1-N 3.28Å; Y532-N582 HydrophobicContact CE2-CB 3.48Å; Y532-N582 VanDerWaalsContact CE2-CB 3.48Å; Y532-N582 VanDerWaalsContact CE2-CG 3.47Å; Y532-N582 WeakPolarHBondContact CE2-ND2 3.01Å; Y532-N582 VanDerWaalsContact CZ-CB 3.48Å; Y532-N582 WeakPolarHBondContact O-CA 3.36Å; Y532-V583 WeakPolarHBondContact O-CG1 2.96Å; Y532-V583 WeakPolarHBondContact O-CG2 3.43Å; Y532-V583 PolarHBondContact O-N 3.47Å
533	L	94.4	Very high	90.8	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129.3	167.5	179.4	58.8	0	0	0	109.2	A541 S544 F546 V547 I558 M560 V583 A584	L533-A541 HydrophobicContact CD2-CB 4.07Å; L533-S544 VanDerWaalsContact CD2-CB 3.48Å; L533-F546 HydrophobicContact CD1-CD2 3.96Å; L533-V547 HydrophobicContact CB-CG1 4.4Å; L533-V547 HydrophobicContact CD2-CG1 3.84Å; L533-I558 PolarHBondContact N-O 2.6Å; L533-M560 PolarHBondContact O-N 2.9Å; L533-V583 HydrophobicContact CB-CG2 3.71Å; L533-V583 HydrophobicContact CD1-CG2 3.85Å; L533-V583 HydrophobicContact CD2-CG2 4.41Å; L533-V583 HydrophobicContact CG-CG2 4.19Å; L533-A584 HydrophobicContact CD1-CB 4.1Å
534	T	93.8	Very high	91	Very high	6 Å²	6	44.7 Å²	44.7	4%	0.037	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	140.8	166.4	43.1	0	0	0	0	109.7	Y532 M560 E566 L569 N582	Y532-T534 HydrophobicContact CD2-CG2 4.32Å; Y532-T534 HydrophobicContact CE2-CG2 4.24Å; T534-M560 HydrophobicContact CG2-CB 3.82Å; T534-M560 HydrophobicContact CG2-SD 4.43Å; T534-E566 WeakPolarHBondContact CB-OE1 3.37Å; T534-E566 HydrophobicContact CG2-CG 3.74Å; T534-E566 PolarHBondContact OG1-OE1 2.83Å; T534-L569 HydrophobicContact CG2-CD1 3.81Å; T534-N582 PolarHBondContact OG1-ND2 3.29Å
535	A	92	Very high	91.1	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.033	25%	0.247	C	C	.	.			trans	-168.8	163.2	-178.1	0	0	0	0	0	109.9	S537 E540 A541 M560 I561 N648	A535-S537 VanDerWaalsContact C-N 3.25Å; A535-S537 PolarHBondContact O-N 2.68Å; A535-E540 HydrophobicContact CB-CG 4.38Å; A535-A541 HydrophobicContact CB-CB 3.88Å; A535-M560 PolarHBondContact N-O 3.3Å; A535-I561 WeakPolarHBondContact O-CA 3.34Å; A535-N648 WeakPolarHBondContact CA-OD1 3.48Å
536	A	90	Very high	91.7	Very high	51 Å²	51	32.5 Å²	32.5	42%	0.421	20%	0.204	S	C	.	.	S	Bend	trans	-65.2	-29.3	177.2	0	0	0	0	0	112.6	E540 N648	A536-E540 WeakPolarHBondContact CB-OE2 3.3Å; A536-E540 PolarHBondContact N-OE2 3.23Å; A536-N648 PolarHBondContact N-OD1 2.65Å
537	S	91.8	Very high	92.3	Very high	48 Å²	48	29.4 Å²	29.4	34%	0.336	17%	0.171	S	C	.	.			trans	-146.8	155.2	-177.8	76.2	0	0	0	0	115.9	A535 A539 E540 A541	A535-S537 VanDerWaalsContact C-N 3.25Å; A535-S537 PolarHBondContact O-N 2.68Å; S537-A539 PolarHBondContact O-N 3.05Å; S537-A539 PolarHBondContact OG-N 3.23Å; S537-E540 PolarHBondContact N-OE2 3.33Å; S537-E540 PolarHBondContact O-N 3.44Å; S537-E540 VanDerWaalsContact OG-CB 3.29Å; S537-E540 WeakPolarHBondContact OG-CB 3.44Å; S537-E540 PolarHBondContact OG-N 2.81Å; S537-A541 WeakPolarHBondContact O-CB 3.46Å; S537-A541 PolarHBondContact O-N 3.46Å
538	I	91.3	Very high	92.4	Very high	38 Å²	38	30.3 Å²	30.3	20%	0.195	18%	0.176	C	C	.	.	H	α-helix	trans	-59.7	-27.4	171.7	-50.9	177.3	0	0	0	111.2	W505 K542 I561	W505-I538 HydrophobicContact CD2-CD1 3.83Å; W505-I538 HydrophobicContact CE3-CD1 4.5Å; W505-I538 HydrophobicContact CG-CD1 3.87Å; W505-I538 HydrophobicContact CZ2-CD1 4.3Å; I538-K542 HydrophobicContact CG2-CD 4.25Å; I538-K542 VanDerWaalsContact CG2-CE 3.48Å; I538-K542 WeakPolarHBondContact O-CB 3.34Å; I538-K542 WeakPolarHBondContact O-CD 3.36Å; I538-K542 WeakPolarHBondContact O-CG 3.46Å; I538-K542 PolarHBondContact O-N 2.77Å; I538-I561 HydrophobicContact CD1-CD1 3.97Å; I538-I561 HydrophobicContact CG1-CD1 3.8Å; I538-I561 HydrophobicContact CG1-CG2 3.87Å
539	A	91.7	Very high	92.6	Very high	73 Å²	73	28.2 Å²	28.2	60%	0.603	16%	0.164	S	C	*	.	H	α-helix	trans	-73.5	-48.4	178.4	0	0	0	0	0	111.1	S537 K542 S543	S537-A539 PolarHBondContact O-N 3.05Å; S537-A539 PolarHBondContact OG-N 3.23Å; A539-K542 PolarHBondContact O-N 3.29Å; A539-S543 PolarHBondContact O-N 2.9Å; A539-S543 VanDerWaalsContact O-N 3.13Å
540	E	91.8	Very high	92.6	Very high	64 Å²	64	27.1 Å²	27.1	30%	0.299	16%	0.158	S	C	.	.	H	α-helix	trans	-58.5	-53.3	174.8	-175.3	-166.4	178.7	0	0	111.3	A535 A536 S537 K542 S543 S544	A535-E540 HydrophobicContact CB-CG 4.38Å; A536-E540 WeakPolarHBondContact CB-OE2 3.3Å; A536-E540 PolarHBondContact N-OE2 3.23Å; S537-E540 PolarHBondContact N-OE2 3.33Å; S537-E540 PolarHBondContact O-N 3.44Å; S537-E540 VanDerWaalsContact OG-CB 3.29Å; S537-E540 WeakPolarHBondContact OG-CB 3.44Å; S537-E540 PolarHBondContact OG-N 2.81Å; E540-K542 PolarHBondContact O-N 3.49Å; E540-K542 VanDerWaalsContact O-N 3.17Å; E540-S543 CarbonylContact O-C 3.6Å; E540-S543 WeakPolarHBondContact O-CA 3.49Å; E540-S543 WeakPolarHBondContact O-CB 3.41Å; E540-S543 PolarHBondContact O-N 2.83Å; E540-S543 PolarHBondContact O-OG 2.82Å; E540-S544 PolarHBondContact O-N 2.97Å
541	A	92.1	Very high	92.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.8	-31.1	-178.6	0	0	0	0	0	113.6	L533 A535 S537 V547 Y559	L533-A541 HydrophobicContact CD2-CB 4.07Å; A535-A541 HydrophobicContact CB-CB 3.88Å; S537-A541 WeakPolarHBondContact O-CB 3.46Å; S537-A541 PolarHBondContact O-N 3.46Å; A541-V547 WeakPolarHBondContact O-CG2 3.45Å; A541-Y559 HydrophobicContact CB-CD1 3.53Å; A541-Y559 HydrophobicContact CB-CE1 3.99Å; A541-Y559 HydrophobicContact CB-CG 4.14Å; A541-Y559 WeakPolarHBondContact O-CE1 3.48Å
542	K	91.4	Very high	92.2	Very high	92 Å²	92	36.3 Å²	36.3	40%	0.4	20%	0.201	S	C	.	.	H	α-helix	trans	-74.7	-31.4	171.6	-75.2	167.8	-175.4	161.2	0	113.2	T510 I538 A539 E540 Y559	T510-K542 VanDerWaalsContact CG2-CE 3.45Å; I538-K542 HydrophobicContact CG2-CD 4.25Å; I538-K542 VanDerWaalsContact CG2-CE 3.48Å; I538-K542 WeakPolarHBondContact O-CB 3.34Å; I538-K542 WeakPolarHBondContact O-CD 3.36Å; I538-K542 WeakPolarHBondContact O-CG 3.46Å; I538-K542 PolarHBondContact O-N 2.77Å; A539-K542 PolarHBondContact O-N 3.29Å; E540-K542 PolarHBondContact O-N 3.49Å; E540-K542 VanDerWaalsContact O-N 3.17Å; K542-Y559 HydrophobicContact CG-CE2 3.93Å
543	S	90.9	Very high	91.9	Very high	55 Å²	55	37.8 Å²	37.8	39%	0.385	21%	0.208	S	C	.	.	H	α-helix	trans	-81.7	-20.6	178.4	89.6	0	0	0	0	112.9	A539 E540 R715	A539-S543 PolarHBondContact O-N 2.9Å; A539-S543 VanDerWaalsContact O-N 3.13Å; E540-S543 CarbonylContact O-C 3.6Å; E540-S543 WeakPolarHBondContact O-CA 3.49Å; E540-S543 WeakPolarHBondContact O-CB 3.41Å; E540-S543 PolarHBondContact O-N 2.83Å; E540-S543 PolarHBondContact O-OG 2.82Å; S543-R715 PolarHBondContact O-NH2 2.82Å; S543-R715 PolarHBondContact OG-NH1 2.85Å; S543-R715 VanDerWaalsContact OG-NH1 3.08Å
544	S	94.1	Very high	91.6	Very high	11 Å²	11	39.6 Å²	39.6	8%	0.077	23%	0.227	C	C	.	.			trans	-53.1	137.8	-171.2	172.5	0	0	0	0	112.5	L533 E540 F546 V547	L533-S544 VanDerWaalsContact CD2-CB 3.48Å; E540-S544 PolarHBondContact O-N 2.97Å; S544-F546 PolarHBondContact O-N 3.47Å; S544-F546 WeakPolarHBondContact OG-CD2 3.46Å; S544-F546 PolarHBondContact OG-N 2.95Å; S544-V547 WeakPolarHBondContact O-CG2 3.46Å; S544-V547 PolarHBondContact O-N 3.14Å
545	P	92.9	Very high	91.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-63.6	-26.1	179.7	28.9	-36.7	0	0	0	112.7	V547 L631 T634 A637 R715	P545-V547 PolarHBondContact O-N 2.77Å; P545-L631 HydrophobicContact CB-CD2 3.68Å; P545-T634 HydrophobicContact CB-CG2 3.93Å; P545-A637 HydrophobicContact CB-CB 4.25Å; P545-A637 HydrophobicContact CG-CB 3.97Å; P545-R715 WeakPolarHBondContact CD-O 3.36Å; P545-R715 WeakPolarHBondContact CG-O 3.14Å
546	F	94.1	Very high	91.6	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.018	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-65	-38.3	-176.4	-51.8	-45.2	0	0	0	113.3	L533 S544 E548 V583 A584 A637 L638 V639 S716	L533-F546 HydrophobicContact CD1-CD2 3.96Å; S544-F546 PolarHBondContact O-N 3.47Å; S544-F546 WeakPolarHBondContact OG-CD2 3.46Å; S544-F546 PolarHBondContact OG-N 2.95Å; F546-E548 VanDerWaalsContact C-N 3.35Å; F546-E548 PolarHBondContact O-N 2.73Å; F546-V583 HydrophobicContact CB-CB 4.21Å; F546-V583 HydrophobicContact CB-CG2 3.7Å; F546-A584 HydrophobicContact CD2-CB 3.63Å; F546-A584 HydrophobicContact CE2-CB 3.38Å; F546-A584 HydrophobicContact CG-CB 4.39Å; F546-A584 HydrophobicContact CZ-CB 3.95Å; F546-A637 HydrophobicContact CE1-CB 4.02Å; F546-L638 WeakPolarHBondContact CE1-O 3.39Å; F546-L638 WeakPolarHBondContact CZ-O 3.42Å; F546-V639 HydrophobicContact CE1-CG2 4.05Å; F546-S716 WeakPolarHBondContact CZ-OG 3.38Å
547	V	93.2	Very high	91.8	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-82.6	-10.8	-172.6	-61.8	0	0	0	0	113.8	L533 A541 S544 P545 R549 L550 I551 V557 Y559 V583	L533-V547 HydrophobicContact CB-CG1 4.4Å; L533-V547 HydrophobicContact CD2-CG1 3.84Å; A541-V547 WeakPolarHBondContact O-CG2 3.45Å; S544-V547 WeakPolarHBondContact O-CG2 3.46Å; S544-V547 PolarHBondContact O-N 3.14Å; P545-V547 PolarHBondContact O-N 2.77Å; V547-R549 PolarHBondContact O-N 3.35Å; V547-L550 PolarHBondContact O-N 3.28Å; V547-I551 HydrophobicContact CB-CD1 3.82Å; V547-I551 HydrophobicContact CB-CG1 4.35Å; V547-I551 HydrophobicContact CG2-CD1 3.77Å; V547-I551 WeakPolarHBondContact O-CB 3.16Å; V547-I551 VanDerWaalsContact O-CG1 3.31Å; V547-I551 WeakPolarHBondContact O-CG1 3.26Å; V547-I551 PolarHBondContact O-N 2.93Å; V547-V557 HydrophobicContact CG1-CG1 4Å; V547-Y559 HydrophobicContact CG1-CE1 4.39Å; V547-V583 HydrophobicContact CG1-CG2 4.08Å
548	E	92.3	Very high	92	Very high	34 Å²	34	37.2 Å²	37.2	16%	0.159	20%	0.2	C	C	.	.	H	α-helix	trans	-54	-58.7	-172.3	-73.7	-169.8	-166.1	0	0	113.3	F546 I551 K552 S632 N633 T634	F546-E548 VanDerWaalsContact C-N 3.35Å; F546-E548 PolarHBondContact O-N 2.73Å; E548-I551 PolarHBondContact O-N 3.27Å; E548-K552 WeakPolarHBondContact O-CB 3.27Å; E548-K552 PolarHBondContact O-N 3.4Å; E548-S632 VanDerWaalsContact OE2-CA 3.24Å; E548-S632 WeakPolarHBondContact OE2-CA 3.34Å; E548-S632 VanDerWaalsContact OE2-CB 3.22Å; E548-S632 WeakPolarHBondContact OE2-CB 3.36Å; E548-S632 PolarHBondContact OE2-N 3.45Å; E548-S632 PolarHBondContact OE2-OG 3.29Å; E548-N633 WeakPolarHBondContact OE2-CB 3.42Å; E548-N633 PolarHBondContact OE2-N 3.08Å; E548-T634 VanDerWaalsContact OE1-CB 3.3Å; E548-T634 WeakPolarHBondContact OE1-CB 3.43Å; E548-T634 PolarHBondContact OE1-N 3.27Å; E548-T634 PolarHBondContact OE1-OG1 2.8Å
549	R	90.7	Very high	92.2	Very high	50 Å²	50	35.6 Å²	35.6	19%	0.189	19%	0.191	C	C	.	.	H	α-helix	trans	-76.6	-27.4	-172.7	-168.4	148.8	150.2	-150.3	-11.4	112	V547 K552 K553 S628 E629 R630 L631	V547-R549 PolarHBondContact O-N 3.35Å; R549-K552 PolarHBondContact O-N 2.78Å; R549-K553 WeakPolarHBondContact O-CB 3.38Å; R549-K553 WeakPolarHBondContact O-CG 3.36Å; R549-K553 PolarHBondContact O-N 2.88Å; R549-S628 PolarHBondContact NH1-O 3.48Å; R549-E629 WeakPolarHBondContact CD-O 3.36Å; R549-E629 WeakPolarHBondContact CG-O 3.5Å; R549-E629 PolarHBondContact NE-O 2.82Å; R549-E629 PolarHBondContact NH1-O 3.27Å; R549-E629 VanDerWaalsContact NH1-O 3.14Å; R549-R630 WeakPolarHBondContact CB-O 3.39Å; R549-R630 PolarHBondContact N-O 2.83Å; R549-R630 VanDerWaalsContact N-O 3.12Å; R549-L631 VanDerWaalsContact CD-O 3.22Å; R549-L631 WeakPolarHBondContact CD-O 3.17Å; R549-L631 PolarHBondContact NH1-O 2.81Å
550	L	91.7	Very high	92.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.2	-55.6	168.5	-78.7	150.8	0	0	0	110.7	Y531 V547 K552 K553 G554 Y555 V557 V583 L590	Y531-L550 HydrophobicContact CD1-CD2 4.32Å; Y531-L550 HydrophobicContact CD2-CD2 3.57Å; Y531-L550 HydrophobicContact CE2-CD2 3.79Å; Y531-L550 HydrophobicContact CG-CD2 3.87Å; V547-L550 PolarHBondContact O-N 3.28Å; L550-K552 VanDerWaalsContact C-N 3.32Å; L550-K552 PolarHBondContact O-N 3.33Å; L550-K553 CarbonylContact O-C 3.56Å; L550-K553 PolarHBondContact O-N 3.11Å; L550-G554 PolarHBondContact O-N 3.2Å; L550-Y555 HydrophobicContact CD2-CD2 4.05Å; L550-Y555 HydrophobicContact CD2-CG 4.17Å; L550-Y555 PolarHBondContact O-N 3.12Å; L550-V557 HydrophobicContact CB-CG2 3.95Å; L550-V557 HydrophobicContact CD1-CG2 4.3Å; L550-V583 HydrophobicContact CD1-CB 4.03Å; L550-V583 HydrophobicContact CD1-CG1 3.5Å; L550-V583 VanDerWaalsContact CD1-CG1 3.5Å; L550-L590 HydrophobicContact CD2-CD2 3.69Å; L550-L590 HydrophobicContact CG-CD1 4.22Å; L550-L590 HydrophobicContact CG-CD2 4.27Å
551	I	91.9	Very high	92.3	Very high	73 Å²	73	31 Å²	31	37%	0.374	16%	0.158	S	C	.	.	H	α-helix	trans	-63.5	-37.1	177.4	-65.4	170.4	0	0	0	111.2	V547 E548 G554	V547-I551 HydrophobicContact CB-CD1 3.82Å; V547-I551 HydrophobicContact CB-CG1 4.35Å; V547-I551 HydrophobicContact CG2-CD1 3.77Å; V547-I551 WeakPolarHBondContact O-CB 3.16Å; V547-I551 VanDerWaalsContact O-CG1 3.31Å; V547-I551 WeakPolarHBondContact O-CG1 3.26Å; V547-I551 PolarHBondContact O-N 2.93Å; E548-I551 PolarHBondContact O-N 3.27Å; I551-G554 VanDerWaalsContact O-CA 3.23Å; I551-G554 WeakPolarHBondContact O-CA 3.39Å; I551-G554 PolarHBondContact O-N 2.88Å
552	K	89.9	Confident	92.3	Very high	131 Å²	131	33.6 Å²	33.6	57%	0.57	17%	0.172	S	C	*	.	H	α-helix	trans	-67.7	-33.8	177.6	-162.2	177.4	-142.8	157.7	0	113.2	E548 R549 L550 S632 N633	E548-K552 WeakPolarHBondContact O-CB 3.27Å; E548-K552 PolarHBondContact O-N 3.4Å; R549-K552 PolarHBondContact O-N 2.78Å; L550-K552 VanDerWaalsContact C-N 3.32Å; L550-K552 PolarHBondContact O-N 3.33Å; K552-S632 PolarHBondContact NZ-OG 3.08Å; K552-N633 PolarHBondContact NZ-OD1 2.98Å
553	K	87.1	Confident	92.3	Very high	54 Å²	54	32.9 Å²	32.9	24%	0.235	18%	0.177	C	C	.	.	H	α-helix	trans	-75.1	-17.1	165.7	-72.5	-176.6	-179.5	-169.1	0	112	K524 R549 L550 Y555 L590 D591	K524-K553 PolarHBondContact NZ-O 3.42Å; R549-K553 WeakPolarHBondContact O-CB 3.38Å; R549-K553 WeakPolarHBondContact O-CG 3.36Å; R549-K553 PolarHBondContact O-N 2.88Å; L550-K553 CarbonylContact O-C 3.56Å; L550-K553 PolarHBondContact O-N 3.11Å; K553-Y555 HydrophobicContact CB-CD2 3.73Å; K553-Y555 HydrophobicContact CB-CE2 3.86Å; K553-Y555 HydrophobicContact CD-CD2 4.31Å; K553-Y555 HydrophobicContact CD-CE2 3.81Å; K553-Y555 HydrophobicContact CG-CE2 4.5Å; K553-L590 HydrophobicContact CD-CB 4.34Å; K553-L590 PolarHBondContact NZ-O 2.9Å; K553-D591 WeakPolarHBondContact CE-OD2 3.39Å; K553-D591 IonicContact NZ-OD1 2.65Å; K553-D591 PolarHBondContact NZ-OD1 3.04Å; K553-D591 IonicContact NZ-OD2 2.73Å; K553-D591 PolarHBondContact NZ-OD2 2.87Å
554	G	88.6	Confident	92.3	Very high	42 Å²	42	31.3 Å²	31.3	43%	0.433	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	28.3	-178.3	0	0	0	0	0	113.3	K524 L550 I551	K524-G554 WeakPolarHBondContact CE-O 3.47Å; K524-G554 PolarHBondContact NZ-O 3.04Å; L550-G554 PolarHBondContact O-N 3.2Å; I551-G554 VanDerWaalsContact O-CA 3.23Å; I551-G554 WeakPolarHBondContact O-CA 3.39Å; I551-G554 PolarHBondContact O-N 2.88Å
555	Y	92.5	Very high	92.3	Very high	37 Å²	37	31 Å²	31	15%	0.145	16%	0.162	C	C	.	.			trans	-67.6	140.2	160.7	-69.2	-76.3	0	0	0	108.4	K524 Q527 Y531 L550 K553	K524-Y555 HydrophobicContact CD-CD1 4.13Å; K524-Y555 HydrophobicContact CD-CE1 4.13Å; Q527-Y555 HydrophobicContact CB-CE1 4.11Å; Q527-Y555 HydrophobicContact CG-CD1 4.12Å; Q527-Y555 HydrophobicContact CG-CE1 4.05Å; Y531-Y555 HydrophobicContact CD2-CD1 4.45Å; Y531-Y555 HydrophobicContact CD2-CG 4.46Å; Y531-Y555 AromaticContact CE2-CD1 3.93Å; Y531-Y555 HydrophobicContact CE2-CD1 3.93Å; Y531-Y555 HydrophobicContact CE2-CE1 4.33Å; Y531-Y555 HydrophobicContact CE2-CG 4.14Å; L550-Y555 HydrophobicContact CD2-CD2 4.05Å; L550-Y555 HydrophobicContact CD2-CG 4.17Å; L550-Y555 PolarHBondContact O-N 3.12Å; K553-Y555 HydrophobicContact CB-CD2 3.73Å; K553-Y555 HydrophobicContact CB-CE2 3.86Å; K553-Y555 HydrophobicContact CD-CD2 4.31Å; K553-Y555 HydrophobicContact CD-CE2 3.81Å; K553-Y555 HydrophobicContact CG-CE2 4.5Å
556	E	93.8	Very high	92.1	Very high	18 Å²	18	31.3 Å²	31.3	8%	0.084	16%	0.164	C	C	.	.			trans	-76.2	144.8	168.1	-164.8	164.8	156.7	0	0	108.2	T506 N508 Y519 R522	T506-E556 WeakPolarHBondContact CB-OE1 3.47Å; T506-E556 WeakPolarHBondContact CG2-OE1 3.49Å; T506-E556 PolarHBondContact OG1-OE1 2.98Å; N508-E556 HydrophobicContact CB-CG 3.83Å; N508-E556 WeakPolarHBondContact CB-OE1 3.45Å; N508-E556 VanDerWaalsContact CB-OE2 3.3Å; N508-E556 WeakPolarHBondContact CB-OE2 3.43Å; N508-E556 PolarHBondContact ND2-OE2 3.11Å; Y519-E556 HydrophobicContact CD2-CB 4.21Å; Y519-E556 HydrophobicContact CD2-CG 3.96Å; Y519-E556 HydrophobicContact CE2-CB 3.71Å; Y519-E556 HydrophobicContact CE2-CG 3.84Å; Y519-E556 PolarHBondContact OH-O 3.12Å; R522-E556 IonicContact CZ-OE1 3.68Å; R522-E556 IonicContact CZ-OE2 2.71Å; R522-E556 IonicContact NE-OE1 3.56Å; R522-E556 PolarHBondContact NE-OE1 3.32Å; R522-E556 IonicContact NE-OE2 3.69Å; R522-E556 PolarHBondContact NE-OE2 2.92Å; R522-E556 IonicContact NH2-OE1 2.66Å; R522-E556 PolarHBondContact NH2-OE1 2.74Å; R522-E556 IonicContact NH2-OE2 2.67Å
557	V	94.9	Very high	91.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.			trans	-130	137	176.6	-179.3	0	0	0	0	107.3	T506 S507 Y531 V547 L550 V583	T506-V557 CarbonylContact C-O 3.25Å; T506-V557 VanDerWaalsContact CA-O 3.25Å; T506-V557 WeakPolarHBondContact CA-O 3.36Å; T506-V557 WeakPolarHBondContact CB-O 3.35Å; S507-V557 PolarHBondContact N-O 3.19Å; S507-V557 PolarHBondContact OG-N 2.9Å; Y531-V557 WeakPolarHBondContact O-CA 3.25Å; V547-V557 HydrophobicContact CG1-CG1 4Å; L550-V557 HydrophobicContact CB-CG2 3.95Å; L550-V557 HydrophobicContact CD1-CG2 4.3Å; V557-V583 HydrophobicContact CG1-CG1 4.44Å
558	I	95.8	Very high	91.9	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.015	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	136.5	175.2	-57.8	-175.8	0	0	0	109.1	F504 T506 L516 Y519 I530 Y531 Y532 L533 M560	F504-I558 HydrophobicContact CB-CG2 3.34Å; F504-I558 HydrophobicContact CD2-CG2 4.03Å; F504-I558 HydrophobicContact CG-CG2 3.75Å; T506-I558 HydrophobicContact CG2-CG1 4.43Å; L516-I558 HydrophobicContact CD2-CD1 3.57Å; Y519-I558 HydrophobicContact CD2-CD1 4.05Å; Y519-I558 HydrophobicContact CD2-CG1 3.75Å; Y519-I558 HydrophobicContact CE2-CD1 4.31Å; Y519-I558 HydrophobicContact CE2-CG1 3.8Å; Y519-I558 HydrophobicContact CG-CD1 4.18Å; Y519-I558 HydrophobicContact CG-CG1 4.39Å; I530-I558 HydrophobicContact CG2-CD1 3.55Å; I530-I558 HydrophobicContact CG2-CG1 4.41Å; Y531-I558 PolarHBondContact O-N 2.71Å; Y532-I558 CarbonylContact C-O 3.47Å; Y532-I558 WeakPolarHBondContact CA-O 3.29Å; L533-I558 PolarHBondContact N-O 2.6Å; I558-M560 HydrophobicContact CG2-CE 4Å; I558-M560 HydrophobicContact CG2-CG 4.27Å
559	Y	95.3	Very high	91.7	Very high	5 Å²	5	32.8 Å²	32.8	2%	0.02	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.8	171.1	-55.4	-55.9	0	0	0	109.2	W505 T510 A541 K542 V547	W505-Y559 HydrophobicContact CB-CD2 4.5Å; W505-Y559 PolarHBondContact O-N 3.38Å; T510-Y559 HydrophobicContact CG2-CE2 4.5Å; A541-Y559 HydrophobicContact CB-CD1 3.53Å; A541-Y559 HydrophobicContact CB-CE1 3.99Å; A541-Y559 HydrophobicContact CB-CG 4.14Å; A541-Y559 WeakPolarHBondContact O-CE1 3.48Å; K542-Y559 HydrophobicContact CG-CE2 3.93Å; V547-Y559 HydrophobicContact CG1-CE1 4.39Å
560	M	93.9	Very high	91.5	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	141.6	173.9	-74.9	168.3	-175.8	0	0	108.1	F504 Y532 L533 T534 A535 I558 D565 M568 L569	F504-M560 HydrophobicContact CD1-CE 4.16Å; F504-M560 HydrophobicContact CD1-CG 3.88Å; F504-M560 HydrophobicContact CD2-CE 4.05Å; F504-M560 HydrophobicContact CE1-CE 3.88Å; F504-M560 HydrophobicContact CE1-CG 4.02Å; F504-M560 HydrophobicContact CE2-CE 3.74Å; F504-M560 HydrophobicContact CG-CE 4.25Å; F504-M560 HydrophobicContact CG-CG 4.5Å; F504-M560 HydrophobicContact CZ-CE 3.66Å; Y532-M560 HydrophobicContact CD2-SD 4.06Å; Y532-M560 HydrophobicContact CG-SD 4.25Å; L533-M560 PolarHBondContact O-N 2.9Å; T534-M560 HydrophobicContact CG2-CB 3.82Å; T534-M560 HydrophobicContact CG2-SD 4.43Å; A535-M560 PolarHBondContact N-O 3.3Å; I558-M560 HydrophobicContact CG2-CE 4Å; I558-M560 HydrophobicContact CG2-CG 4.27Å; M560-D565 HydrophobicContact CB-CB 3.71Å; M560-D565 WeakPolarHBondContact CB-OD2 3.42Å; M560-D565 HydrophobicContact CG-CB 4.08Å; M560-D565 HydrophobicContact SD-CB 4.35Å; M560-M568 HydrophobicContact CE-CE 4.34Å; M560-L569 HydrophobicContact CE-CD2 4.08Å; M560-L569 HydrophobicContact SD-CD1 3.55Å; M560-L569 VanDerWaalsContact SD-CD1 3.55Å; M560-L569 HydrophobicContact SD-CD2 4.04Å; M560-L569 HydrophobicContact SD-CG 3.98Å
561	I	92.1	Very high	91.3	Very high	39 Å²	39	37 Å²	37	20%	0.2	19%	0.193	C	C	.	.			trans	-150.2	-17.5	-161.5	54	163.1	0	0	0	115.2	A535 I538 D565	A535-I561 WeakPolarHBondContact O-CA 3.34Å; I538-I561 HydrophobicContact CD1-CD1 3.97Å; I538-I561 HydrophobicContact CG1-CD1 3.8Å; I538-I561 HydrophobicContact CG1-CG2 3.87Å; I561-D565 PolarHBondContact N-OD2 3.44Å
562	D	91.3	Very high	91.3	Very high	54 Å²	54	34 Å²	34	29%	0.289	18%	0.178	S	C	.	.	S	Bend	trans	-94.1	136.2	176.2	-39.5	-37	0	0	0	106.1	K485 V564 D565	K485-D562 IonicContact NZ-OD2 2.71Å; K485-D562 PolarHBondContact NZ-OD2 3.03Å; D562-V564 VanDerWaalsContact C-N 3.29Å; D562-V564 HydrophobicContact CB-CG1 4.12Å; D562-V564 PolarHBondContact O-N 2.95Å; D562-V564 VanDerWaalsContact O-N 3.13Å; D562-D565 PolarHBondContact N-OD2 2.8Å; D562-D565 WeakPolarHBondContact O-CB 3.14Å; D562-D565 PolarHBondContact O-N 3.35Å
563	P	90.6	Very high	91.1	Very high	78 Å²	78	32.4 Å²	32.4	51%	0.506	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-43.4	-170.4	-31.5	36.5	0	0	0	114.8	D565 E566 I652	P563-D565 PolarHBondContact O-N 3.12Å; P563-E566 PolarHBondContact O-N 2.98Å; P563-I652 HydrophobicContact CB-CD1 3.83Å; P563-I652 HydrophobicContact CB-CG1 4.2Å; P563-I652 HydrophobicContact CB-CG2 4.44Å
564	V	91.7	Very high	91.3	Very high	22 Å²	22	33.3 Å²	33.3	13%	0.133	18%	0.184	C	C	.	.	H	α-helix	trans	-52.6	-13.5	171.9	62.6	0	0	0	0	115.1	V482 K485 L486 D562 M568	V482-V564 HydrophobicContact CG1-CG1 4.38Å; V482-V564 HydrophobicContact CG2-CG1 4.43Å; K485-V564 HydrophobicContact CB-CG2 3.86Å; K485-V564 HydrophobicContact CD-CG1 3.6Å; K485-V564 HydrophobicContact CD-CG2 4.36Å; L486-V564 HydrophobicContact CD2-CG2 4.03Å; L486-V564 HydrophobicContact CG-CG2 4.43Å; D562-V564 VanDerWaalsContact C-N 3.29Å; D562-V564 HydrophobicContact CB-CG1 4.12Å; D562-V564 PolarHBondContact O-N 2.95Å; D562-V564 VanDerWaalsContact O-N 3.13Å; V564-M568 WeakPolarHBondContact O-CB 3.45Å; V564-M568 PolarHBondContact O-N 3.41Å; V564-M568 VanDerWaalsContact O-N 3.12Å
565	D	93.3	Very high	91.5	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-66.8	-36.5	170.6	-75.8	-36.7	0	0	0	113.1	K485 F504 M560 I561 D562 P563 L569	K485-D565 WeakPolarHBondContact CE-OD1 3.4Å; K485-D565 IonicContact NZ-OD1 3.38Å; K485-D565 PolarHBondContact NZ-OD1 3.29Å; K485-D565 IonicContact NZ-OD2 3.75Å; K485-D565 PolarHBondContact NZ-OD2 2.94Å; F504-D565 WeakPolarHBondContact CE1-OD1 3.34Å; M560-D565 HydrophobicContact CB-CB 3.71Å; M560-D565 WeakPolarHBondContact CB-OD2 3.42Å; M560-D565 HydrophobicContact CG-CB 4.08Å; M560-D565 HydrophobicContact SD-CB 4.35Å; I561-D565 PolarHBondContact N-OD2 3.44Å; D562-D565 PolarHBondContact N-OD2 2.8Å; D562-D565 WeakPolarHBondContact O-CB 3.14Å; D562-D565 PolarHBondContact O-N 3.35Å; P563-D565 PolarHBondContact O-N 3.12Å; D565-L569 WeakPolarHBondContact O-CD1 3.36Å; D565-L569 WeakPolarHBondContact O-CG 3.39Å; D565-L569 PolarHBondContact O-N 2.91Å
566	E	90.1	Very high	91.3	Very high	7 Å²	7	34.7 Å²	34.7	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-68.4	-45.2	179.1	-72	-92.3	-160.5	0	0	111	T534 P563 L569 Q570 S646 N648 M649 I652	T534-E566 WeakPolarHBondContact CB-OE1 3.37Å; T534-E566 HydrophobicContact CG2-CG 3.74Å; T534-E566 PolarHBondContact OG1-OE1 2.83Å; P563-E566 PolarHBondContact O-N 2.98Å; E566-L569 WeakPolarHBondContact O-CB 2.97Å; E566-L569 PolarHBondContact O-N 2.91Å; E566-Q570 PolarHBondContact O-N 3.12Å; E566-S646 WeakPolarHBondContact OE1-CB 3.38Å; E566-S646 PolarHBondContact OE1-OG 2.76Å; E566-N648 PolarHBondContact OE1-ND2 3.01Å; E566-M649 HydrophobicContact CB-CE 3.92Å; E566-M649 HydrophobicContact CB-SD 3.46Å; E566-M649 WeakPolarHBondContact CB-SD 3.04Å; E566-M649 HydrophobicContact CG-CB 4.48Å; E566-M649 HydrophobicContact CG-SD 4.01Å; E566-M649 PolarHBondContact OE1-N 3.19Å; E566-I652 HydrophobicContact CG-CD1 4.24Å
567	Y	89.5	Confident	91	Very high	60 Å²	60	37.1 Å²	37.1	24%	0.235	19%	0.193	C	C	.	.	H	α-helix	trans	-63.1	-45.2	176.1	-54	-95.6	0	0	0	112	L569 Q570 S571 I652 M653 Q656	Y567-L569 PolarHBondContact O-N 2.98Å; Y567-L569 VanDerWaalsContact O-N 3.09Å; Y567-Q570 WeakPolarHBondContact O-CB 3.09Å; Y567-Q570 PolarHBondContact O-N 3.43Å; Y567-S571 PolarHBondContact O-N 3Å; Y567-I652 HydrophobicContact CE2-CG2 3.82Å; Y567-I652 WeakPolarHBondContact OH-CG2 3.41Å; Y567-M653 HydrophobicContact CD1-CE 4.46Å; Y567-M653 HydrophobicContact CE1-CE 3.67Å; Y567-Q656 PolarHBondContact OH-OE1 2.88Å
568	M	93	Very high	90.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.2	-24.7	176.3	180	-81.2	-41	0	0	113	K485 I488 L502 F504 M560 V564 L572	K485-M568 HydrophobicContact CB-CB 4.32Å; K485-M568 HydrophobicContact CB-CG 4.11Å; K485-M568 HydrophobicContact CG-CG 4.39Å; I488-M568 HydrophobicContact CB-CG 4.12Å; I488-M568 HydrophobicContact CG2-CG 3.7Å; I488-M568 HydrophobicContact CG2-SD 4.1Å; L502-M568 HydrophobicContact CD1-SD 3.97Å; L502-M568 HydrophobicContact CD2-SD 4.35Å; F504-M568 HydrophobicContact CE1-CE 4.29Å; F504-M568 HydrophobicContact CZ-CE 3.84Å; M560-M568 HydrophobicContact CE-CE 4.34Å; V564-M568 WeakPolarHBondContact O-CB 3.45Å; V564-M568 PolarHBondContact O-N 3.41Å; V564-M568 VanDerWaalsContact O-N 3.12Å; M568-L572 WeakPolarHBondContact O-CB 3.2Å; M568-L572 PolarHBondContact O-N 3.48Å; M568-L572 HydrophobicContact SD-CB 4.13Å; M568-L572 HydrophobicContact SD-CD2 3.81Å
569	L	88.7	Confident	90.7	Very high	12 Å²	12	46.6 Å²	46.6	6%	0.063	23%	0.234	C	C	.	.	H	α-helix	trans	-78.6	-25	173.9	-76.6	162.4	0	0	0	114.4	Y532 T534 M560 D565 E566 Y567 L572 L580	Y532-L569 HydrophobicContact CD1-CD2 4.02Å; Y532-L569 HydrophobicContact CD2-CD1 3.74Å; Y532-L569 HydrophobicContact CD2-CD2 4.46Å; Y532-L569 HydrophobicContact CE1-CD1 4.23Å; Y532-L569 HydrophobicContact CE1-CD2 3.59Å; Y532-L569 HydrophobicContact CE1-CG 4.49Å; Y532-L569 HydrophobicContact CE2-CD1 3.16Å; Y532-L569 HydrophobicContact CE2-CD2 4.11Å; Y532-L569 HydrophobicContact CE2-CG 4.22Å; Y532-L569 HydrophobicContact CG-CD1 4.48Å; Y532-L569 HydrophobicContact CG-CD2 4.42Å; Y532-L569 VanDerWaalsContact CZ-CD1 3.42Å; T534-L569 HydrophobicContact CG2-CD1 3.81Å; M560-L569 HydrophobicContact CE-CD2 4.08Å; M560-L569 HydrophobicContact SD-CD1 3.55Å; M560-L569 VanDerWaalsContact SD-CD1 3.55Å; M560-L569 HydrophobicContact SD-CD2 4.04Å; M560-L569 HydrophobicContact SD-CG 3.98Å; D565-L569 WeakPolarHBondContact O-CD1 3.36Å; D565-L569 WeakPolarHBondContact O-CG 3.39Å; D565-L569 PolarHBondContact O-N 2.91Å; E566-L569 WeakPolarHBondContact O-CB 2.97Å; E566-L569 PolarHBondContact O-N 2.91Å; Y567-L569 PolarHBondContact O-N 2.98Å; Y567-L569 VanDerWaalsContact O-N 3.09Å; L569-L572 CarbonylContact O-C 3.53Å; L569-L580 HydrophobicContact CD2-CB 4.33Å; L569-L580 HydrophobicContact CD2-CD2 3.59Å
570	Q	85.8	Confident	90.6	Very high	116 Å²	116	47.4 Å²	47.4	54%	0.542	24%	0.239	S	C	.	.	H	α-helix	trans	-63.7	-48.7	169.9	-64.2	166	-53.8	0	0	108.7	E566 Y567 L572	E566-Q570 PolarHBondContact O-N 3.12Å; Y567-Q570 WeakPolarHBondContact O-CB 3.09Å; Y567-Q570 PolarHBondContact O-N 3.43Å; Q570-L572 PolarHBondContact O-N 2.75Å
571	S	87.9	Confident	90.5	Very high	22 Å²	22	51.7 Å²	51.7	15%	0.154	26%	0.255	C	S	.	.	H	α-helix	trans	-72.7	-24	178	-39.1	0	0	0	0	114	R495 Y567	R495-S571 WeakPolarHBondContact CD-O 3.21Å; R495-S571 PolarHBondContact NH1-O 3.3Å; Y567-S571 PolarHBondContact O-N 3Å
572	L	91	Very high	90.5	Very high	11 Å²	11	50.1 Å²	50.1	6%	0.058	25%	0.247	C	C	.	.			trans	-113.1	67.8	-177.5	-167.8	67.6	0	0	0	112.9	I488 R495 L502 L516 M568 L569 Q570 E574 L580	I488-L572 HydrophobicContact CG2-CB 4.15Å; R495-L572 HydrophobicContact CG-CD1 4.42Å; L502-L572 HydrophobicContact CD1-CD2 3.58Å; L516-L572 HydrophobicContact CD1-CD2 4.28Å; M568-L572 WeakPolarHBondContact O-CB 3.2Å; M568-L572 PolarHBondContact O-N 3.48Å; M568-L572 HydrophobicContact SD-CB 4.13Å; M568-L572 HydrophobicContact SD-CD2 3.81Å; L569-L572 CarbonylContact O-C 3.53Å; Q570-L572 PolarHBondContact O-N 2.75Å; L572-E574 VanDerWaalsContact C-N 3.32Å; L572-E574 PolarHBondContact O-N 2.82Å; L572-L580 HydrophobicContact CD2-CD2 4.48Å
573	T	86.5	Confident	90.6	Very high	97 Å²	97	47.5 Å²	47.5	60%	0.595	23%	0.233	S	C	*	.			trans	-62.1	-32.8	179.2	58.5	0	0	0	0	114	L580	T573-L580 PolarHBondContact O-N 3.15Å
574	E	90.5	Very high	90.7	Very high	72 Å²	72	44.1 Å²	44.1	34%	0.336	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-143.7	161	179.2	81.7	127.2	-108.2	0	0	116	L572 K577 K579 L580	L572-E574 VanDerWaalsContact C-N 3.32Å; L572-E574 PolarHBondContact O-N 2.82Å; E574-K577 VanDerWaalsContact OE1-CA 3.27Å; E574-K577 WeakPolarHBondContact OE1-CA 3.07Å; E574-K577 PolarHBondContact OE1-N 3.23Å; E574-K577 VanDerWaalsContact OE2-CA 3.23Å; E574-K577 WeakPolarHBondContact OE2-CA 3.28Å; E574-K579 HydrophobicContact CB-CG 4.45Å; E574-L580 VanDerWaalsContact C-CD1 3.49Å
575	Y	93.4	Very high	90.6	Very high	18 Å²	18	45.2 Å²	45.2	7%	0.071	21%	0.214	C	C	.	.	S	Bend	trans	-142.4	115.4	175.2	-176.2	-86.9	0	0	0	111.8	L516 A517 V520 I530 K578	L516-Y575 HydrophobicContact CB-CD1 3.77Å; L516-Y575 HydrophobicContact CB-CD2 4.03Å; L516-Y575 HydrophobicContact CB-CE1 3.53Å; L516-Y575 HydrophobicContact CB-CE2 3.8Å; L516-Y575 HydrophobicContact CB-CG 4.01Å; L516-Y575 HydrophobicContact CD1-CD1 4.44Å; L516-Y575 HydrophobicContact CD1-CD2 3.48Å; L516-Y575 VanDerWaalsContact CD1-CD2 3.48Å; L516-Y575 HydrophobicContact CD1-CE2 3.83Å; L516-Y575 HydrophobicContact CD1-CG 3.82Å; L516-Y575 HydrophobicContact CG-CD2 4.41Å; L516-Y575 HydrophobicContact CG-CE2 4.46Å; A517-Y575 PolarHBondContact N-OH 2.94Å; V520-Y575 HydrophobicContact CG2-CD1 4.12Å; V520-Y575 HydrophobicContact CG2-CE1 4.29Å; I530-Y575 HydrophobicContact CD1-CD1 4.36Å; Y575-K578 PolarHBondContact N-O 3.47Å; Y575-K578 WeakPolarHBondContact O-CB 3.16Å; Y575-K578 PolarHBondContact O-N 3.24Å
576	D	89.5	Confident	90.2	Very high	90 Å²	90	45.5 Å²	45.5	48%	0.481	22%	0.218	S	C	.	.	S	Bend	trans	56.8	45.6	179.1	-156.9	34.5	0	0	0	113.4	K2181	D576-K2181 IonicContact OD1-NZ 3.24Å; D576-K2181 PolarHBondContact OD1-NZ 3.03Å
577	K	87.6	Confident	89.8	Confident	70 Å²	70	49.1 Å²	49.1	30%	0.304	24%	0.241	S	C	.	.	S	Bend	trans	61.1	36.1	-172.6	-68.9	-168.3	-71.6	154.2	0	114.8	E574 K2179 S2180 K2181	E574-K577 VanDerWaalsContact OE1-CA 3.27Å; E574-K577 WeakPolarHBondContact OE1-CA 3.07Å; E574-K577 PolarHBondContact OE1-N 3.23Å; E574-K577 VanDerWaalsContact OE2-CA 3.23Å; E574-K577 WeakPolarHBondContact OE2-CA 3.28Å; K577-K2179 WeakPolarHBondContact CE-O 3.45Å; K577-K2179 PolarHBondContact NZ-O 3.29Å; K577-S2180 PolarHBondContact NZ-O 3.02Å; K577-K2181 HydrophobicContact CD-CB 4.25Å; K577-K2181 HydrophobicContact CD-CG 3.71Å; K577-K2181 HydrophobicContact CG-CG 3.89Å
578	K	91.4	Very high	89.4	Confident	53 Å²	53	46.5 Å²	46.5	23%	0.23	23%	0.231	C	C	.	.			trans	-132.2	110.5	175	-51.4	-89.2	102.4	-82.2	0	107.6	M523 E528 I530 Y575	M523-K578 HydrophobicContact CE-CD 3.72Å; M523-K578 HydrophobicContact CE-CG 4.44Å; M523-K578 HydrophobicContact SD-CD 4Å; M523-K578 HydrophobicContact SD-CG 4.35Å; E528-K578 WeakPolarHBondContact O-CD 2.96Å; E528-K578 PolarHBondContact O-NZ 3.08Å; I530-K578 HydrophobicContact CD1-CB 3.87Å; I530-K578 HydrophobicContact CG1-CB 3.82Å; Y575-K578 PolarHBondContact N-O 3.47Å; Y575-K578 WeakPolarHBondContact O-CB 3.16Å; Y575-K578 PolarHBondContact O-N 3.24Å
579	K	92.3	Very high	88.7	Confident	149 Å²	149	50.3 Å²	50.3	65%	0.648	25%	0.249	S	C	*	.	B	Isolated β-bridge	trans	-62.6	138.4	177.9	-60.6	-165	176.5	-166.2	0	109.8	I530 E574	I530-K579 PolarHBondContact N-O 3.34Å; E574-K579 HydrophobicContact CB-CG 4.45Å
580	L	93.1	Very high	88.2	Confident	21 Å²	21	50 Å²	50	11%	0.11	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	126.4	174.8	-79.1	76.9	0	0	0	107.9	I530 Y532 L569 L572 T573 E574	I530-L580 HydrophobicContact CB-CG 4.26Å; I530-L580 HydrophobicContact CD1-CD1 4.24Å; I530-L580 HydrophobicContact CG2-CG 4.32Å; Y532-L580 HydrophobicContact CD1-CB 3.97Å; Y532-L580 HydrophobicContact CE1-CB 3.78Å; L569-L580 HydrophobicContact CD2-CB 4.33Å; L569-L580 HydrophobicContact CD2-CD2 3.59Å; L572-L580 HydrophobicContact CD2-CD2 4.48Å; T573-L580 PolarHBondContact O-N 3.15Å; E574-L580 VanDerWaalsContact C-CD1 3.49Å
581	R	91.1	Very high	87.6	Confident	91 Å²	91	47.5 Å²	47.5	34%	0.343	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.8	-174.2	-159.9	171	-161.6	150.4	9.9	111.5	D529 I530 Y532 V583 T587	D529-R581 HydrophobicContact CB-CB 4.14Å; D529-R581 WeakPolarHBondContact OD2-CD 3.28Å; D529-R581 IonicContact OD2-CZ 3.31Å; D529-R581 IonicContact OD2-NE 2.85Å; D529-R581 IonicContact OD2-NH1 2.66Å; D529-R581 PolarHBondContact OD2-NH1 3.36Å; I530-R581 PolarHBondContact O-N 3.27Å; Y532-R581 VanDerWaalsContact CE1-C 3.42Å; Y532-R581 PolarHBondContact N-O 3.1Å; Y532-R581 VanDerWaalsContact N-O 3.13Å; R581-V583 PolarHBondContact O-N 3.19Å; R581-T587 PolarHBondContact NH2-O 3.04Å
582	N	92.7	Very high	86.8	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.032	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.6	174.8	-161.4	-37.1	0	0	0	109.5	Y532 T534 A584 K585	Y532-N582 HydrophobicContact CD2-CB 4.26Å; Y532-N582 HydrophobicContact CE1-CB 4.21Å; Y532-N582 VanDerWaalsContact CE1-N 3.28Å; Y532-N582 HydrophobicContact CE2-CB 3.48Å; Y532-N582 VanDerWaalsContact CE2-CB 3.48Å; Y532-N582 VanDerWaalsContact CE2-CG 3.47Å; Y532-N582 WeakPolarHBondContact CE2-ND2 3.01Å; Y532-N582 VanDerWaalsContact CZ-CB 3.48Å; Y532-N582 WeakPolarHBondContact O-CA 3.36Å; T534-N582 PolarHBondContact OG1-ND2 3.29Å; N582-A584 VanDerWaalsContact C-N 3.26Å; N582-A584 PolarHBondContact O-N 2.98Å; N582-A584 WeakPolarHBondContact OD1-CB 3.42Å; N582-A584 PolarHBondContact OD1-N 2.81Å; N582-K585 HydrophobicContact CB-CB 4.22Å; N582-K585 HydrophobicContact CB-CG 4.04Å
583	V	92.7	Very high	86.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-77.5	-12.1	177.6	-56.6	0	0	0	0	113.4	Y531 Y532 L533 F546 V547 L550 V557 R581 I588 R630	Y531-V583 HydrophobicContact CD1-CG1 4.48Å; Y532-V583 WeakPolarHBondContact O-CG1 2.96Å; Y532-V583 WeakPolarHBondContact O-CG2 3.43Å; Y532-V583 PolarHBondContact O-N 3.47Å; L533-V583 HydrophobicContact CB-CG2 3.71Å; L533-V583 HydrophobicContact CD1-CG2 3.85Å; L533-V583 HydrophobicContact CD2-CG2 4.41Å; L533-V583 HydrophobicContact CG-CG2 4.19Å; F546-V583 HydrophobicContact CB-CB 4.21Å; F546-V583 HydrophobicContact CB-CG2 3.7Å; V547-V583 HydrophobicContact CG1-CG2 4.08Å; L550-V583 HydrophobicContact CD1-CB 4.03Å; L550-V583 HydrophobicContact CD1-CG1 3.5Å; L550-V583 VanDerWaalsContact CD1-CG1 3.5Å; V557-V583 HydrophobicContact CG1-CG1 4.44Å; R581-V583 PolarHBondContact O-N 3.19Å; V583-I588 HydrophobicContact CB-CD1 4.37Å; V583-R630 PolarHBondContact O-NH1 3.2Å
584	A	92.2	Very high	85.8	Confident	7 Å²	7	57.7 Å²	57.7	6%	0.058	28%	0.28	C	S	.	.	S	Bend	trans	-93.2	-16	177.1	0	0	0	0	0	114.3	L533 F546 N582 V639 A640	L533-A584 HydrophobicContact CD1-CB 4.1Å; F546-A584 HydrophobicContact CD2-CB 3.63Å; F546-A584 HydrophobicContact CE2-CB 3.38Å; F546-A584 HydrophobicContact CG-CB 4.39Å; F546-A584 HydrophobicContact CZ-CB 3.95Å; N582-A584 VanDerWaalsContact C-N 3.26Å; N582-A584 PolarHBondContact O-N 2.98Å; N582-A584 WeakPolarHBondContact OD1-CB 3.42Å; N582-A584 PolarHBondContact OD1-N 2.81Å; A584-V639 WeakPolarHBondContact O-CG1 3.31Å; A584-A640 PolarHBondContact O-N 2.96Å
585	K	90.4	Very high	85.4	Confident	44 Å²	44	62.1 Å²	62.1	19%	0.191	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-100	159.8	174.8	-57.7	-156.8	-178.4	-166.2	0	111.7	N582 R630 A640 F643 G644	N582-K585 HydrophobicContact CB-CB 4.22Å; N582-K585 HydrophobicContact CB-CG 4.04Å; K585-R630 PolarHBondContact O-NH1 3.46Å; K585-A640 CarbonylContact C-O 3.43Å; K585-A640 HydrophobicContact CG-CB 4.1Å; K585-F643 PolarHBondContact NZ-O 2.97Å; K585-G644 WeakPolarHBondContact CD-O 3.5Å; K585-G644 WeakPolarHBondContact CE-O 3.43Å; K585-G644 PolarHBondContact NZ-O 2.78Å
586	G	84.5	Confident	84.7	Confident	10 Å²	10	62.6 Å²	62.6	10%	0.103	31%	0.308	C	S	.	.	S	Bend	trans	57.5	-167.1	161.2	0	0	0	0	0	117.7	R630 V639 A640 E642	G586-R630 PolarHBondContact O-NH1 2.79Å; G586-R630 PolarHBondContact O-NH2 2.75Å; G586-V639 WeakPolarHBondContact O-CG1 3.44Å; G586-A640 PolarHBondContact N-O 2.87Å; G586-E642 WeakPolarHBondContact CA-OE1 3.15Å
587	T	81.6	Confident	84.3	Confident	83 Å²	83	62 Å²	62	51%	0.509	30%	0.302	S	S	.	.			trans	-102.4	130.8	179.3	-56.5	0	0	0	0	111.4	R581 E642	R581-T587 PolarHBondContact NH2-O 3.04Å; T587-E642 PolarHBondContact N-OE1 2.75Å
588	I	82.2	Confident	84.2	Confident	5 Å²	5	62 Å²	62	3%	0.026	31%	0.307	C	S	.	.			trans	-120.2	105.2	-175.7	-49.3	178	0	0	0	110.5	Y531 V583 L590	Y531-I588 HydrophobicContact CE1-CG2 4.17Å; V583-I588 HydrophobicContact CB-CD1 4.37Å; I588-L590 HydrophobicContact CG2-CD2 3.57Å; I588-L590 HydrophobicContact CG2-CG 3.94Å; I588-L590 PolarHBondContact O-N 3.01Å
589	E	77.3	Confident	83.9	Confident	80 Å²	80	67.2 Å²	67.2	37%	0.374	33%	0.325	S	S	.	.			trans	-73.2	114	168.9	-64.6	-150.9	144.9	0	0	110.1	K597	E589-K597 WeakPolarHBondContact OE1-CE 3.45Å; E589-K597 IonicContact OE1-NZ 3.41Å; E589-K597 PolarHBondContact OE1-NZ 3.36Å; E589-K597 WeakPolarHBondContact OE2-CE 3.5Å; E589-K597 IonicContact OE2-NZ 2.67Å; E589-K597 PolarHBondContact OE2-NZ 3.43Å
590	L	78.7	Confident	83.4	Confident	5 Å²	5	62.7 Å²	62.7	3%	0.026	31%	0.306	C	S	.	.			trans	-105.2	-11.4	-179.3	-64.8	177.8	0	0	0	113.5	L550 K553 I588 E629	L550-L590 HydrophobicContact CD2-CD2 3.69Å; L550-L590 HydrophobicContact CG-CD1 4.22Å; L550-L590 HydrophobicContact CG-CD2 4.27Å; K553-L590 HydrophobicContact CD-CB 4.34Å; K553-L590 PolarHBondContact NZ-O 2.9Å; I588-L590 HydrophobicContact CG2-CD2 3.57Å; I588-L590 HydrophobicContact CG2-CG 3.94Å; I588-L590 PolarHBondContact O-N 3.01Å; L590-E629 PolarHBondContact N-OE2 2.86Å
591	D	72.9	Confident	83.1	Confident	63 Å²	63	65.9 Å²	65.9	34%	0.337	32%	0.32	S	S	.	.			trans	-133.6	91.4	172.7	-68.3	-47.8	0	0	0	110.7	K553 S593 A596	K553-D591 WeakPolarHBondContact CE-OD2 3.39Å; K553-D591 IonicContact NZ-OD1 2.65Å; K553-D591 PolarHBondContact NZ-OD1 3.04Å; K553-D591 IonicContact NZ-OD2 2.73Å; K553-D591 PolarHBondContact NZ-OD2 2.87Å; D591-S593 PolarHBondContact O-N 3.14Å; D591-A596 HydrophobicContact CB-CB 3.47Å; D591-A596 VanDerWaalsContact CB-CB 3.47Å
592	K	72.4	Confident	83.1	Confident	136 Å²	136	68.1 Å²	68.1	59%	0.591	33%	0.334	S	S	*	.			trans	-70.2	40	172.4	-61.6	-171.7	179.3	-176.1	0	113.6	E528	E528-K592 IonicContact OE1-NZ 2.97Å; E528-K592 PolarHBondContact OE1-NZ 3.41Å; E528-K592 IonicContact OE2-NZ 3.4Å; E528-K592 PolarHBondContact OE2-NZ 2.97Å
593	S	76.5	Confident	82.9	Confident	59 Å²	59	70.2 Å²	70.2	41%	0.413	35%	0.345	S	S	.	.			trans	-115.1	135.3	-173.7	-179	0	0	0	0	111.1	D591 E595 A596 K597	D591-S593 PolarHBondContact O-N 3.14Å; S593-E595 PolarHBondContact O-N 2.95Å; S593-A596 CarbonylContact O-C 3.55Å; S593-A596 WeakPolarHBondContact O-CA 3.16Å; S593-A596 WeakPolarHBondContact O-CB 3.32Å; S593-A596 PolarHBondContact O-N 2.7Å; S593-K597 PolarHBondContact O-N 2.75Å
594	E	79.7	Confident	82.8	Confident	149 Å²	149	73.6 Å²	73.6	70%	0.696	36%	0.361	S	S	*	.	H	α-helix	trans	-45.5	-52.9	174.5	-73.5	-66.5	109.7	0	0	113.1	A596 K597 T598	E594-A596 PolarHBondContact O-N 3.01Å; E594-A596 VanDerWaalsContact O-N 3.09Å; E594-K597 PolarHBondContact O-N 2.62Å; E594-T598 WeakPolarHBondContact O-CB 3.43Å; E594-T598 WeakPolarHBondContact O-CG2 2.9Å; E594-T598 PolarHBondContact O-N 2.96Å; E594-T598 PolarHBondContact O-OG1 2.75Å
595	E	81.9	Confident	82.6	Confident	166 Å²	166	80 Å²	80	78%	0.776	39%	0.388	S	S	*	.	H	α-helix	trans	-62.5	-15.2	177.7	-64.1	-171.6	175.1	0	0	114.3	S593 R599	S593-E595 PolarHBondContact O-N 2.95Å; E595-R599 VanDerWaalsContact O-CB 3.28Å; E595-R599 WeakPolarHBondContact O-CB 3.49Å
596	A	77.9	Confident	82.6	Confident	27 Å²	27	82.9 Å²	82.9	22%	0.223	40%	0.402	C	S	.	.	H	α-helix	trans	-96.5	-41.9	176.3	0	0	0	0	0	111.9	D591 S593 E594 R599 K600	D591-A596 HydrophobicContact CB-CB 3.47Å; D591-A596 VanDerWaalsContact CB-CB 3.47Å; S593-A596 CarbonylContact O-C 3.55Å; S593-A596 WeakPolarHBondContact O-CA 3.16Å; S593-A596 WeakPolarHBondContact O-CB 3.32Å; S593-A596 PolarHBondContact O-N 2.7Å; E594-A596 PolarHBondContact O-N 3.01Å; E594-A596 VanDerWaalsContact O-N 3.09Å; A596-R599 PolarHBondContact O-N 3.04Å; A596-K600 WeakPolarHBondContact O-CB 3.43Å; A596-K600 PolarHBondContact O-N 3.2Å
597	K	81.6	Confident	83	Confident	79 Å²	79	82.6 Å²	82.6	34%	0.343	40%	0.398	S	S	.	.	H	α-helix	trans	-65.3	-50.6	175.9	-64.2	-152.1	-178.5	-152.5	0	111.5	E589 S593 E594 R599 K600 E601	E589-K597 WeakPolarHBondContact OE1-CE 3.45Å; E589-K597 IonicContact OE1-NZ 3.41Å; E589-K597 PolarHBondContact OE1-NZ 3.36Å; E589-K597 WeakPolarHBondContact OE2-CE 3.5Å; E589-K597 IonicContact OE2-NZ 2.67Å; E589-K597 PolarHBondContact OE2-NZ 3.43Å; S593-K597 PolarHBondContact O-N 2.75Å; E594-K597 PolarHBondContact O-N 2.62Å; K597-R599 VanDerWaalsContact C-N 3.27Å; K597-R599 PolarHBondContact O-N 3.13Å; K597-K600 WeakPolarHBondContact O-CA 3.42Å; K597-K600 WeakPolarHBondContact O-CB 3.49Å; K597-K600 PolarHBondContact O-N 3.38Å; K597-E601 PolarHBondContact O-N 3.08Å
598	T	85.3	Confident	83.5	Confident	69 Å²	69	84.1 Å²	84.1	42%	0.423	40%	0.397	S	S	.	.	H	α-helix	trans	-53.9	-43.3	174	50	0	0	0	0	112.4	E594 E601 E602	E594-T598 WeakPolarHBondContact O-CB 3.43Å; E594-T598 WeakPolarHBondContact O-CG2 2.9Å; E594-T598 PolarHBondContact O-N 2.96Å; E594-T598 PolarHBondContact O-OG1 2.75Å; T598-E601 PolarHBondContact O-N 3.42Å; T598-E602 WeakPolarHBondContact O-CG 3.4Å; T598-E602 PolarHBondContact O-N 2.97Å
599	R	84.7	Confident	83.9	Confident	162 Å²	162	86 Å²	86	61%	0.611	41%	0.41	S	S	*	.	H	α-helix	trans	-69.5	-31.1	177	-172.2	178.1	-166.9	145.2	14.2	113.8	E595 A596 K597 L603	E595-R599 VanDerWaalsContact O-CB 3.28Å; E595-R599 WeakPolarHBondContact O-CB 3.49Å; A596-R599 PolarHBondContact O-N 3.04Å; K597-R599 VanDerWaalsContact C-N 3.27Å; K597-R599 PolarHBondContact O-N 3.13Å; R599-L603 WeakPolarHBondContact O-CG 3.2Å; R599-L603 PolarHBondContact O-N 2.86Å
600	K	83.2	Confident	84.5	Confident	54 Å²	54	82.2 Å²	82.2	24%	0.235	39%	0.393	C	S	.	.	H	α-helix	trans	-65.2	-48.7	172.9	179.8	-179.3	179.2	175.8	0	109.4	A596 K597 E602 L603 E604 E629	A596-K600 WeakPolarHBondContact O-CB 3.43Å; A596-K600 PolarHBondContact O-N 3.2Å; K597-K600 WeakPolarHBondContact O-CA 3.42Å; K597-K600 WeakPolarHBondContact O-CB 3.49Å; K597-K600 PolarHBondContact O-N 3.38Å; K600-E602 PolarHBondContact O-N 3.05Å; K600-L603 PolarHBondContact O-N 3.31Å; K600-L603 VanDerWaalsContact O-N 3.13Å; K600-E604 WeakPolarHBondContact CE-OE1 3.14Å; K600-E604 HydrophobicContact CG-CG 4.46Å; K600-E604 WeakPolarHBondContact CG-OE1 3.43Å; K600-E604 WeakPolarHBondContact O-CG 3.45Å; K600-E604 PolarHBondContact O-N 2.77Å; K600-E629 IonicContact NZ-OE1 3.51Å; K600-E629 PolarHBondContact NZ-OE1 2.83Å
601	E	86.7	Confident	85.1	Confident	89 Å²	89	83 Å²	83	42%	0.416	40%	0.396	S	S	.	.	H	α-helix	trans	-59.4	-41.8	175.5	-67.4	177.7	-130.3	0	0	113.4	K597 T598 L603 E604 K605	K597-E601 PolarHBondContact O-N 3.08Å; T598-E601 PolarHBondContact O-N 3.42Å; E601-L603 VanDerWaalsContact C-N 3.29Å; E601-L603 PolarHBondContact O-N 2.93Å; E601-E604 PolarHBondContact O-N 2.63Å; E601-K605 WeakPolarHBondContact O-CB 3.24Å; E601-K605 VanDerWaalsContact O-CD 3.27Å; E601-K605 WeakPolarHBondContact O-CD 3.39Å; E601-K605 WeakPolarHBondContact O-CG 3.23Å; E601-K605 PolarHBondContact O-N 3.08Å; E601-K605 IonicContact OE2-NZ 2.72Å; E601-K605 PolarHBondContact OE2-NZ 3.06Å
602	E	89.6	Confident	86	Confident	137 Å²	137	84.2 Å²	84.2	64%	0.64	40%	0.4	S	S	*	.	H	α-helix	trans	-57.1	-43.8	174.9	-76.7	-177.3	156.1	0	0	111.5	T598 K600 E606	T598-E602 WeakPolarHBondContact O-CG 3.4Å; T598-E602 PolarHBondContact O-N 2.97Å; K600-E602 PolarHBondContact O-N 3.05Å; E602-E606 PolarHBondContact O-N 3.3Å
603	L	89.7	Confident	86.9	Confident	50 Å²	50	78 Å²	78	26%	0.262	37%	0.373	S	S	.	.	H	α-helix	trans	-71	-40	177.6	-70	168.5	0	0	0	111.9	R599 K600 E601 K605 E606 F607 L627 P680	R599-L603 WeakPolarHBondContact O-CG 3.2Å; R599-L603 PolarHBondContact O-N 2.86Å; K600-L603 PolarHBondContact O-N 3.31Å; K600-L603 VanDerWaalsContact O-N 3.13Å; E601-L603 VanDerWaalsContact C-N 3.29Å; E601-L603 PolarHBondContact O-N 2.93Å; L603-K605 VanDerWaalsContact C-N 3.3Å; L603-K605 PolarHBondContact O-N 2.75Å; L603-E606 PolarHBondContact O-N 3.04Å; L603-E606 VanDerWaalsContact O-N 3.12Å; L603-F607 HydrophobicContact CD2-CE2 4.32Å; L603-F607 WeakPolarHBondContact O-CB 3.44Å; L603-F607 WeakPolarHBondContact O-CD2 3.13Å; L603-F607 PolarHBondContact O-N 2.88Å; L603-L627 VanDerWaalsContact C-CD1 3.46Å; L603-L627 HydrophobicContact CB-CD1 3.69Å; L603-P680 HydrophobicContact CD1-CG 4.32Å
604	E	89.1	Confident	87.6	Confident	71 Å²	71	75.2 Å²	75.2	33%	0.332	35%	0.353	S	S	.	.	H	α-helix	trans	-61	-41.5	175.2	-72.7	173.9	179.1	0	0	110.6	K600 E601 E606 F607 K608 L627	K600-E604 WeakPolarHBondContact CE-OE1 3.14Å; K600-E604 HydrophobicContact CG-CG 4.46Å; K600-E604 WeakPolarHBondContact CG-OE1 3.43Å; K600-E604 WeakPolarHBondContact O-CG 3.45Å; K600-E604 PolarHBondContact O-N 2.77Å; E601-E604 PolarHBondContact O-N 2.63Å; E604-E606 PolarHBondContact O-N 2.83Å; E604-F607 PolarHBondContact O-N 2.87Å; E604-K608 WeakPolarHBondContact O-CB 3.21Å; E604-K608 PolarHBondContact O-N 2.93Å; E604-L627 HydrophobicContact CB-CD1 4.35Å; E604-L627 HydrophobicContact CG-CB 4.26Å; E604-L627 HydrophobicContact CG-CD1 3.7Å; E604-L627 HydrophobicContact CG-CG 3.92Å
605	K	89.8	Confident	88.1	Confident	142 Å²	142	72.2 Å²	72.2	62%	0.617	34%	0.338	S	S	*	.	H	α-helix	trans	-64	-35.5	173	-68	158.6	-165.2	164.7	0	112.3	E601 L603	E601-K605 WeakPolarHBondContact O-CB 3.24Å; E601-K605 VanDerWaalsContact O-CD 3.27Å; E601-K605 WeakPolarHBondContact O-CD 3.39Å; E601-K605 WeakPolarHBondContact O-CG 3.23Å; E601-K605 PolarHBondContact O-N 3.08Å; E601-K605 IonicContact OE2-NZ 2.72Å; E601-K605 PolarHBondContact OE2-NZ 3.06Å; L603-K605 VanDerWaalsContact C-N 3.3Å; L603-K605 PolarHBondContact O-N 2.75Å
606	E	90	Very high	88.4	Confident	105 Å²	105	69.5 Å²	69.5	49%	0.491	33%	0.326	S	S	.	.	H	α-helix	trans	-72.1	-37.8	174.5	-176.8	-177.9	-172.1	0	0	113.2	E602 L603 E604 N689 K693	E602-E606 PolarHBondContact O-N 3.3Å; L603-E606 PolarHBondContact O-N 3.04Å; L603-E606 VanDerWaalsContact O-N 3.12Å; E604-E606 PolarHBondContact O-N 2.83Å; E606-N689 PolarHBondContact O-ND2 2.66Å; E606-N689 VanDerWaalsContact O-ND2 3.14Å; E606-K693 PolarHBondContact O-NZ 3Å
607	F	92.8	Very high	88.8	Confident	4 Å²	4	71.7 Å²	71.7	2%	0.018	33%	0.333	C	S	.	.	H	α-helix	trans	-98.5	-5.8	-172.3	-78.3	-96.1	0	0	0	114.7	L603 E604 P609 L610 L611 L627 P680 K686 N689	L603-F607 HydrophobicContact CD2-CE2 4.32Å; L603-F607 WeakPolarHBondContact O-CB 3.44Å; L603-F607 WeakPolarHBondContact O-CD2 3.13Å; L603-F607 PolarHBondContact O-N 2.88Å; E604-F607 PolarHBondContact O-N 2.87Å; F607-P609 VanDerWaalsContact C-CD 3.42Å; F607-P609 VanDerWaalsContact C-N 3.31Å; F607-P609 VanDerWaalsContact O-N 3.12Å; F607-L610 HydrophobicContact CD1-CD2 3.99Å; F607-L610 HydrophobicContact CE1-CD2 4.39Å; F607-L610 WeakPolarHBondContact O-CA 3.34Å; F607-L610 WeakPolarHBondContact O-CB 3.18Å; F607-L610 PolarHBondContact O-N 2.77Å; F607-L611 PolarHBondContact O-N 2.79Å; F607-L611 VanDerWaalsContact O-N 3.1Å; F607-L627 HydrophobicContact CB-CD1 4.29Å; F607-L627 HydrophobicContact CB-CD2 3.93Å; F607-L627 HydrophobicContact CG-CD2 4.33Å; F607-P680 HydrophobicContact CD1-CB 4.49Å; F607-P680 HydrophobicContact CD2-CB 3.92Å; F607-P680 HydrophobicContact CE1-CB 4.25Å; F607-P680 HydrophobicContact CE2-CB 3.65Å; F607-P680 HydrophobicContact CG-CB 4.34Å; F607-P680 HydrophobicContact CZ-CB 3.83Å; F607-P680 WeakPolarHBondContact CZ-O 3.33Å; F607-K686 HydrophobicContact CZ-CG 4.15Å; F607-N689 HydrophobicContact CD1-CB 4.13Å; F607-N689 WeakPolarHBondContact CD1-ND2 3.33Å; F607-N689 HydrophobicContact CE1-CB 3.99Å; F607-N689 WeakPolarHBondContact CE1-ND2 3.45Å; F607-N689 WeakPolarHBondContact CG-ND2 3.5Å
608	K	91.1	Very high	89	Confident	114 Å²	114	68 Å²	68	50%	0.496	32%	0.318	S	S	.	.	H	α-helix	trans	-42.7	-45.3	176.3	-164.5	170.7	-169.5	-77.4	0	114.4	E604 L610 L611 E612	E604-K608 WeakPolarHBondContact O-CB 3.21Å; E604-K608 PolarHBondContact O-N 2.93Å; K608-L610 VanDerWaalsContact C-N 3.31Å; K608-L610 PolarHBondContact O-N 3.29Å; K608-L611 PolarHBondContact O-N 2.87Å; K608-E612 HydrophobicContact CG-CG 4.37Å; K608-E612 IonicContact NZ-OE1 3.77Å; K608-E612 PolarHBondContact NZ-OE1 3Å; K608-E612 WeakPolarHBondContact O-CB 3.4Å; K608-E612 WeakPolarHBondContact O-CG 3.09Å; K608-E612 PolarHBondContact O-N 2.91Å
609	P	90.7	Very high	88.9	Confident	46 Å²	46	71.9 Å²	71.9	30%	0.299	33%	0.328	S	S	.	.	H	α-helix	trans	-68.5	-24.4	179.4	-22.1	36.6	0	0	0	114.6	F607 W613 K693	F607-P609 VanDerWaalsContact C-CD 3.42Å; F607-P609 VanDerWaalsContact C-N 3.31Å; F607-P609 VanDerWaalsContact O-N 3.12Å; P609-W613 VanDerWaalsContact O-CB 3.29Å; P609-W613 WeakPolarHBondContact O-CB 3.16Å; P609-W613 PolarHBondContact O-N 3.27Å; P609-K693 HydrophobicContact CB-CG 4.49Å
610	L	90.5	Very high	88.9	Confident	0 Å²	0	71 Å²	71	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-78.4	-39.3	173.2	179.4	62.6	0	0	0	110.9	F607 K608 W613 F614 I678 M685 L688 N689 I692	F607-L610 HydrophobicContact CD1-CD2 3.99Å; F607-L610 HydrophobicContact CE1-CD2 4.39Å; F607-L610 WeakPolarHBondContact O-CA 3.34Å; F607-L610 WeakPolarHBondContact O-CB 3.18Å; F607-L610 PolarHBondContact O-N 2.77Å; K608-L610 VanDerWaalsContact C-N 3.31Å; K608-L610 PolarHBondContact O-N 3.29Å; L610-W613 PolarHBondContact O-N 3.02Å; L610-F614 HydrophobicContact CD1-CD2 3.82Å; L610-F614 HydrophobicContact CD1-CE2 3.51Å; L610-F614 HydrophobicContact CD1-CZ 4.24Å; L610-F614 HydrophobicContact CD2-CE2 4.02Å; L610-F614 HydrophobicContact CG-CD2 3.78Å; L610-F614 HydrophobicContact CG-CE2 3.62Å; L610-F614 VanDerWaalsContact O-CD2 3.25Å; L610-F614 WeakPolarHBondContact O-CD2 3.41Å; L610-F614 PolarHBondContact O-N 3.3Å; L610-I678 HydrophobicContact CD2-CD1 3.73Å; L610-I678 HydrophobicContact CG-CD1 4.15Å; L610-M685 HydrophobicContact CD2-CB 4.45Å; L610-M685 HydrophobicContact CD2-SD 4.17Å; L610-L688 HydrophobicContact CD1-CB 3.96Å; L610-L688 HydrophobicContact CD2-CB 4.38Å; L610-N689 HydrophobicContact CB-CB 4.26Å; L610-N689 HydrophobicContact CD2-CB 4.13Å; L610-I692 HydrophobicContact CD1-CD1 3.39Å
611	L	92.1	Very high	88.9	Confident	20 Å²	20	74.2 Å²	74.2	11%	0.105	34%	0.343	C	S	.	.	H	α-helix	trans	-63.9	-47.7	176.2	-64.8	172.3	0	0	0	110.9	F607 K608 W613 F614 K615 T625 L627 I678	F607-L611 PolarHBondContact O-N 2.79Å; F607-L611 VanDerWaalsContact O-N 3.1Å; K608-L611 PolarHBondContact O-N 2.87Å; L611-W613 PolarHBondContact O-N 3.12Å; L611-F614 PolarHBondContact O-N 3.31Å; L611-K615 PolarHBondContact O-N 3.24Å; L611-T625 PolarHBondContact O-OG1 2.85Å; L611-L627 HydrophobicContact CD1-CD2 4.25Å; L611-L627 HydrophobicContact CD1-CG 4.3Å; L611-L627 HydrophobicContact CD2-CD2 4.22Å; L611-I678 HydrophobicContact CD2-CD1 3.62Å; L611-I678 HydrophobicContact CD2-CG1 3.87Å; L611-I678 HydrophobicContact CG-CD1 4.35Å
612	E	91	Very high	89	Confident	90 Å²	90	70 Å²	70	42%	0.421	32%	0.324	S	S	.	.	H	α-helix	trans	-58.9	-45.5	175	-71.3	168.8	160	0	0	111.8	K608 F614 K615 E616	K608-E612 HydrophobicContact CG-CG 4.37Å; K608-E612 IonicContact NZ-OE1 3.77Å; K608-E612 PolarHBondContact NZ-OE1 3Å; K608-E612 WeakPolarHBondContact O-CB 3.4Å; K608-E612 WeakPolarHBondContact O-CG 3.09Å; K608-E612 PolarHBondContact O-N 2.91Å; E612-F614 PolarHBondContact O-N 3.31Å; E612-K615 PolarHBondContact O-N 3.48Å; E612-E616 WeakPolarHBondContact O-CG 3.4Å; E612-E616 PolarHBondContact O-N 3.17Å
613	W	91.1	Very high	88.8	Confident	5 Å²	5	67 Å²	67	2%	0.019	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-40.4	177.2	-175.9	95.9	0	0	0	112.9	P609 L610 L611 E616 N617 I692 K696 I701 A705	P609-W613 VanDerWaalsContact O-CB 3.29Å; P609-W613 WeakPolarHBondContact O-CB 3.16Å; P609-W613 PolarHBondContact O-N 3.27Å; L610-W613 PolarHBondContact O-N 3.02Å; L611-W613 PolarHBondContact O-N 3.12Å; W613-E616 PolarHBondContact O-N 2.95Å; W613-N617 WeakPolarHBondContact CH2-ND2 3.49Å; W613-N617 WeakPolarHBondContact CZ2-ND2 3.42Å; W613-N617 WeakPolarHBondContact O-CB 3.14Å; W613-N617 PolarHBondContact O-N 2.89Å; W613-I692 HydrophobicContact CB-CD1 4.29Å; W613-I692 HydrophobicContact CB-CG2 3.97Å; W613-I692 HydrophobicContact CD2-CD1 3.39Å; W613-I692 HydrophobicContact CD2-CG1 3.97Å; W613-I692 HydrophobicContact CE3-CD1 3.59Å; W613-I692 HydrophobicContact CG-CD1 3.73Å; W613-I692 HydrophobicContact CG-CG1 4.05Å; W613-I692 HydrophobicContact CG-CG2 3.84Å; W613-I692 HydrophobicContact CH2-CD1 4.4Å; W613-I692 HydrophobicContact CZ2-CD1 4.22Å; W613-I692 HydrophobicContact CZ2-CG1 4.43Å; W613-I692 HydrophobicContact CZ3-CD1 4.1Å; W613-K696 VanDerWaalsContact CD1-CG 3.49Å; W613-K696 PolarHBondContact NE1-O 2.79Å; W613-I701 HydrophobicContact CH2-CG2 3.59Å; W613-I701 HydrophobicContact CZ2-CB 4.18Å; W613-I701 HydrophobicContact CZ2-CG2 3.42Å; W613-I701 VanDerWaalsContact CZ2-CG2 3.42Å; W613-I701 HydrophobicContact CZ3-CG2 4.43Å; W613-A705 HydrophobicContact CH2-CB 3.46Å; W613-A705 VanDerWaalsContact CH2-CB 3.46Å; W613-A705 HydrophobicContact CZ3-CB 3.45Å; W613-A705 VanDerWaalsContact CZ3-CB 3.45Å
614	F	91.9	Very high	88.7	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.8	-40.4	173.8	-82.2	-58.9	0	0	0	111.9	L610 L611 E612 E616 N617 L618 T625 F676 I678 M685 L688 A705	L610-F614 HydrophobicContact CD1-CD2 3.82Å; L610-F614 HydrophobicContact CD1-CE2 3.51Å; L610-F614 HydrophobicContact CD1-CZ 4.24Å; L610-F614 HydrophobicContact CD2-CE2 4.02Å; L610-F614 HydrophobicContact CG-CD2 3.78Å; L610-F614 HydrophobicContact CG-CE2 3.62Å; L610-F614 VanDerWaalsContact O-CD2 3.25Å; L610-F614 WeakPolarHBondContact O-CD2 3.41Å; L610-F614 PolarHBondContact O-N 3.3Å; L611-F614 PolarHBondContact O-N 3.31Å; E612-F614 PolarHBondContact O-N 3.31Å; F614-E616 VanDerWaalsContact C-N 3.3Å; F614-E616 PolarHBondContact O-N 3.46Å; F614-N617 PolarHBondContact O-N 2.97Å; F614-L618 HydrophobicContact CD1-CD1 3.76Å; F614-L618 HydrophobicContact CE1-CD1 4.42Å; F614-L618 WeakPolarHBondContact O-CB 3.14Å; F614-L618 PolarHBondContact O-N 2.92Å; F614-T625 HydrophobicContact CB-CG2 3.63Å; F614-F676 HydrophobicContact CD1-CD1 4.49Å; F614-F676 AromaticContact CD1-CE1 3.96Å; F614-F676 HydrophobicContact CD1-CE1 3.96Å; F614-F676 HydrophobicContact CD2-CD1 4.46Å; F614-F676 HydrophobicContact CD2-CE1 4.12Å; F614-F676 AromaticContact CE1-CE1 3.85Å; F614-F676 HydrophobicContact CE1-CE1 3.85Å; F614-F676 HydrophobicContact CE1-CZ 4.4Å; F614-F676 HydrophobicContact CE2-CE1 4.03Å; F614-F676 HydrophobicContact CG-CD1 4.33Å; F614-F676 HydrophobicContact CG-CE1 4.1Å; F614-F676 AromaticContact CZ-CE1 3.89Å; F614-F676 HydrophobicContact CZ-CE1 3.89Å; F614-I678 HydrophobicContact CD2-CG2 4.35Å; F614-I678 HydrophobicContact CE2-CG2 4.05Å; F614-M685 HydrophobicContact CE2-CE 4.43Å; F614-M685 HydrophobicContact CE2-SD 4.05Å; F614-M685 HydrophobicContact CZ-CE 4.29Å; F614-M685 HydrophobicContact CZ-SD 4.21Å; F614-L688 HydrophobicContact CZ-CD1 4.26Å; F614-A705 HydrophobicContact CE1-CB 3.87Å
615	K	89.6	Confident	88.8	Confident	86 Å²	86	67.7 Å²	67.7	37%	0.374	31%	0.313	S	S	.	.	H	α-helix	trans	-69.4	-26.9	177.7	-177	161.9	-178.4	141.2	0	112.7	L611 E612 K619 D623 T625	L611-K615 PolarHBondContact O-N 3.24Å; E612-K615 PolarHBondContact O-N 3.48Å; K615-K619 WeakPolarHBondContact O-CB 3.28Å; K615-D623 WeakPolarHBondContact CD-O 3.5Å; K615-D623 WeakPolarHBondContact CE-O 3.14Å; K615-D623 PolarHBondContact NZ-O 2.8Å; K615-D623 IonicContact NZ-OD1 2.61Å; K615-D623 PolarHBondContact NZ-OD1 2.71Å; K615-T625 HydrophobicContact CB-CG2 4.01Å
616	E	87.9	Confident	88.9	Confident	110 Å²	110	62.1 Å²	62.1	51%	0.514	29%	0.294	S	S	.	.	H	α-helix	trans	-72.9	-49.8	170.1	-73.1	174.8	155.5	0	0	111.9	E612 W613 F614 K696	E612-E616 WeakPolarHBondContact O-CG 3.4Å; E612-E616 PolarHBondContact O-N 3.17Å; W613-E616 PolarHBondContact O-N 2.95Å; F614-E616 VanDerWaalsContact C-N 3.3Å; F614-E616 PolarHBondContact O-N 3.46Å; E616-K696 IonicContact OE1-NZ 2.71Å; E616-K696 VanDerWaalsContact OE2-CE 3.26Å; E616-K696 WeakPolarHBondContact OE2-CE 3.28Å; E616-K696 IonicContact OE2-NZ 3.31Å; E616-K696 PolarHBondContact OE2-NZ 3.09Å
617	N	86.6	Confident	88.9	Confident	72 Å²	72	57.8 Å²	57.8	39%	0.385	27%	0.274	S	S	.	.	H	α-helix	trans	-81.2	-19.8	-173	-79.9	1.4	0	0	0	115.3	W613 F614	W613-N617 WeakPolarHBondContact CH2-ND2 3.49Å; W613-N617 WeakPolarHBondContact CZ2-ND2 3.42Å; W613-N617 WeakPolarHBondContact O-CB 3.14Å; W613-N617 PolarHBondContact O-N 2.89Å; F614-N617 PolarHBondContact O-N 2.97Å
618	L	86.1	Confident	88.7	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.016	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	19.2	-179.2	-58.2	173.5	0	0	0	112.5	F614 E620 Y621 V622 F709	F614-L618 HydrophobicContact CD1-CD1 3.76Å; F614-L618 HydrophobicContact CE1-CD1 4.42Å; F614-L618 WeakPolarHBondContact O-CB 3.14Å; F614-L618 PolarHBondContact O-N 2.92Å; L618-E620 PolarHBondContact O-N 3.35Å; L618-E620 VanDerWaalsContact O-N 3.07Å; L618-Y621 PolarHBondContact O-N 3.07Å; L618-V622 HydrophobicContact CB-CB 4.25Å; L618-V622 HydrophobicContact CB-CG2 4.02Å; L618-V622 WeakPolarHBondContact O-CB 3.39Å; L618-V622 PolarHBondContact O-N 3.19Å; L618-F709 HydrophobicContact CD1-CB 4.2Å; L618-F709 HydrophobicContact CD1-CD2 3.88Å; L618-F709 HydrophobicContact CD1-CG 4.27Å; L618-F709 HydrophobicContact CD2-CB 4.32Å; L618-F709 HydrophobicContact CD2-CD2 4.46Å; L618-F709 HydrophobicContact CD2-CG 4.26Å
619	K	83.6	Confident	88.5	Confident	149 Å²	149	53.5 Å²	53.5	65%	0.648	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.1	-173.8	-161.5	-153.4	168.1	-153.5	0	114.5	K615 K673	K615-K619 WeakPolarHBondContact O-CB 3.28Å; K619-K673 PolarHBondContact O-NZ 3.09Å
620	E	83.3	Confident	88.4	Confident	145 Å²	145	51.4 Å²	51.4	68%	0.678	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-48.2	174.1	-79.4	148.8	-160	0	0	111.1	L618 K673	L618-E620 PolarHBondContact O-N 3.35Å; L618-E620 VanDerWaalsContact O-N 3.07Å; E620-K673 VanDerWaalsContact O-CE 3.23Å; E620-K673 WeakPolarHBondContact O-CE 3.44Å; E620-K673 PolarHBondContact O-NZ 2.89Å
621	Y	83.8	Confident	88.5	Confident	120 Å²	120	51.4 Å²	51.4	47%	0.471	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-20.2	-173.8	-44.4	-76.5	0	0	0	114.9	L618 F709	L618-Y621 PolarHBondContact O-N 3.07Å; Y621-F709 HydrophobicContact CD2-CE1 4.26Å; Y621-F709 HydrophobicContact CD2-CZ 4.42Å; Y621-F709 HydrophobicContact CG-CE1 4.01Å; Y621-F709 AromaticContact CG-CZ 3.93Å; Y621-F709 HydrophobicContact CG-CZ 3.93Å
622	V	88.5	Confident	88.4	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.1	-169.9	176.6	0	0	0	0	110.3	L618 T625 K674 F676 F709	L618-V622 HydrophobicContact CB-CB 4.25Å; L618-V622 HydrophobicContact CB-CG2 4.02Å; L618-V622 WeakPolarHBondContact O-CB 3.39Å; L618-V622 PolarHBondContact O-N 3.19Å; V622-T625 HydrophobicContact CG1-CG2 4.15Å; V622-K674 WeakPolarHBondContact CA-O 3.38Å; V622-F676 HydrophobicContact CG1-CB 3.71Å; V622-F676 HydrophobicContact CG2-CB 4.02Å; V622-F709 HydrophobicContact CG2-CD2 4.15Å; V622-F709 HydrophobicContact CG2-CE2 3.54Å; V622-F709 HydrophobicContact CG2-CZ 4.48Å
623	D	85.3	Confident	88.3	Confident	73 Å²	73	51.6 Å²	51.6	39%	0.39	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-65.2	162.9	167.8	46.6	0	0	0	109.8	K615 K673 K674	K615-D623 WeakPolarHBondContact CD-O 3.5Å; K615-D623 WeakPolarHBondContact CE-O 3.14Å; K615-D623 PolarHBondContact NZ-O 2.8Å; K615-D623 IonicContact NZ-OD1 2.61Å; K615-D623 PolarHBondContact NZ-OD1 2.71Å; D623-K673 HydrophobicContact CB-CB 3.99Å; D623-K674 PolarHBondContact N-O 3.17Å
624	K	88.4	Confident	88.5	Confident	116 Å²	116	52.6 Å²	52.6	50%	0.504	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.9	-165.5	-167.5	172.6	-177.8	177.3	0	112.1	V675 F676	K624-V675 HydrophobicContact CB-CG1 4.32Å; K624-V675 HydrophobicContact CB-CG2 4.34Å; K624-V675 CarbonylContact O-C 3.41Å; K624-V675 WeakPolarHBondContact O-CA 3.1Å; K624-V675 WeakPolarHBondContact O-CG1 3.41Å; K624-F676 PolarHBondContact O-N 2.85Å
625	T	91.1	Very high	88.5	Confident	19 Å²	19	54 Å²	54	12%	0.117	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130	169.9	55.6	0	0	0	0	109.5	L611 F614 K615 V622 F676	L611-T625 PolarHBondContact O-OG1 2.85Å; F614-T625 HydrophobicContact CB-CG2 3.63Å; K615-T625 HydrophobicContact CB-CG2 4.01Å; V622-T625 HydrophobicContact CG1-CG2 4.15Å; T625-F676 WeakPolarHBondContact CA-O 3.2Å; T625-F676 HydrophobicContact CG2-CB 4.39Å
626	A	91.1	Very high	88.7	Confident	26 Å²	26	50.2 Å²	50.2	22%	0.215	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	159.2	-174.2	0	0	0	0	0	113.5	V675 F676 E677 I678	A626-V675 HydrophobicContact CB-CG1 4.42Å; A626-F676 PolarHBondContact N-O 2.85Å; A626-E677 HydrophobicContact CB-CG 4.47Å; A626-E677 WeakPolarHBondContact O-CA 3.48Å; A626-I678 PolarHBondContact O-N 3.18Å
627	L	91.3	Very high	89	Confident	13 Å²	13	45 Å²	45	7%	0.068	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	128.2	169.1	-66.2	-162.4	0	0	0	111.2	L603 E604 F607 L611 I678 P680	L603-L627 VanDerWaalsContact C-CD1 3.46Å; L603-L627 HydrophobicContact CB-CD1 3.69Å; E604-L627 HydrophobicContact CB-CD1 4.35Å; E604-L627 HydrophobicContact CG-CB 4.26Å; E604-L627 HydrophobicContact CG-CD1 3.7Å; E604-L627 HydrophobicContact CG-CG 3.92Å; F607-L627 HydrophobicContact CB-CD1 4.29Å; F607-L627 HydrophobicContact CB-CD2 3.93Å; F607-L627 HydrophobicContact CG-CD2 4.33Å; L611-L627 HydrophobicContact CD1-CD2 4.25Å; L611-L627 HydrophobicContact CD1-CG 4.3Å; L611-L627 HydrophobicContact CD2-CD2 4.22Å; L627-I678 HydrophobicContact CD2-CD1 3.83Å; L627-I678 HydrophobicContact CD2-CG1 3.58Å; L627-P680 HydrophobicContact CD1-CB 4.25Å; L627-P680 HydrophobicContact CD1-CG 4.15Å; L627-P680 HydrophobicContact CD2-CB 4.28Å; L627-P680 HydrophobicContact CD2-CG 4.41Å
628	S	88.4	Confident	89.3	Confident	6 Å²	6	41.8 Å²	41.8	4%	0.042	21%	0.206	C	C	.	.			trans	-76.3	132.4	-173.4	-172	0	0	0	0	115	R549 R630 L631 E677 I678	R549-S628 PolarHBondContact NH1-O 3.48Å; S628-R630 PolarHBondContact OG-N 2.96Å; S628-R630 VanDerWaalsContact OG-N 3.08Å; S628-L631 WeakPolarHBondContact OG-CB 3.44Å; S628-L631 VanDerWaalsContact OG-CG 3.24Å; S628-L631 WeakPolarHBondContact OG-CG 3.45Å; S628-L631 PolarHBondContact OG-N 3.12Å; S628-E677 WeakPolarHBondContact CA-OE2 3.25Å; S628-E677 WeakPolarHBondContact CB-OE2 3.33Å; S628-E677 PolarHBondContact OG-OE2 3.08Å; S628-I678 WeakPolarHBondContact CB-O 3.45Å; S628-I678 PolarHBondContact N-O 3Å
629	E	85.5	Confident	89.7	Confident	22 Å²	22	41.7 Å²	41.7	10%	0.103	21%	0.206	C	C	.	.	S	Bend	trans	-89.9	-21.8	160.2	-78.6	-168.3	-127.1	0	0	114.1	R549 L590 K600	R549-E629 WeakPolarHBondContact CD-O 3.36Å; R549-E629 WeakPolarHBondContact CG-O 3.5Å; R549-E629 PolarHBondContact NE-O 2.82Å; R549-E629 PolarHBondContact NH1-O 3.27Å; R549-E629 VanDerWaalsContact NH1-O 3.14Å; L590-E629 PolarHBondContact N-OE2 2.86Å; K600-E629 IonicContact NZ-OE1 3.51Å; K600-E629 PolarHBondContact NZ-OE1 2.83Å
630	R	90.1	Very high	90	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.008	18%	0.176	C	C	.	.	S	Bend	trans	-91.4	-26.7	-175	79.9	-162.9	77.7	-155.4	2.8	114.8	R549 V583 K585 G586 S628 E677	R549-R630 WeakPolarHBondContact CB-O 3.39Å; R549-R630 PolarHBondContact N-O 2.83Å; R549-R630 VanDerWaalsContact N-O 3.12Å; V583-R630 PolarHBondContact O-NH1 3.2Å; K585-R630 PolarHBondContact O-NH1 3.46Å; G586-R630 PolarHBondContact O-NH1 2.79Å; G586-R630 PolarHBondContact O-NH2 2.75Å; S628-R630 PolarHBondContact OG-N 2.96Å; S628-R630 VanDerWaalsContact OG-N 3.08Å; R630-E677 WeakPolarHBondContact CG-OE2 3.34Å; R630-E677 IonicContact CZ-OE1 2.69Å; R630-E677 VanDerWaalsContact CZ-OE1 3.31Å; R630-E677 IonicContact CZ-OE2 3.07Å; R630-E677 VanDerWaalsContact NE-CD 3.33Å; R630-E677 IonicContact NE-OE1 2.78Å; R630-E677 PolarHBondContact NE-OE1 2.9Å; R630-E677 VanDerWaalsContact NE-OE1 3.09Å; R630-E677 IonicContact NE-OE2 3.74Å; R630-E677 PolarHBondContact NE-OE2 2.86Å; R630-E677 IonicContact NH2-OE1 3.23Å; R630-E677 PolarHBondContact NH2-OE1 2.95Å
631	L	91.8	Very high	90.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.			trans	-76.9	152	177	-59.7	177.4	0	0	0	112.6	P545 R549 S628 T634 A637 N679	P545-L631 HydrophobicContact CB-CD2 3.68Å; R549-L631 VanDerWaalsContact CD-O 3.22Å; R549-L631 WeakPolarHBondContact CD-O 3.17Å; R549-L631 PolarHBondContact NH1-O 2.81Å; S628-L631 WeakPolarHBondContact OG-CB 3.44Å; S628-L631 VanDerWaalsContact OG-CG 3.24Å; S628-L631 WeakPolarHBondContact OG-CG 3.45Å; S628-L631 PolarHBondContact OG-N 3.12Å; L631-T634 HydrophobicContact CD2-CG2 4.39Å; L631-A637 HydrophobicContact CD1-CB 4.38Å; L631-A637 HydrophobicContact CD2-CB 3.96Å; L631-N679 HydrophobicContact CB-CB 4.03Å; L631-N679 HydrophobicContact CD1-CB 4.09Å
632	S	89.2	Confident	90.3	Very high	14 Å²	14	29.6 Å²	29.6	10%	0.098	16%	0.158	C	C	.	.	S	Bend	trans	-139.1	-37.1	177.5	93.6	0	0	0	0	115.4	E548 K552 N679	E548-S632 VanDerWaalsContact OE2-CA 3.24Å; E548-S632 WeakPolarHBondContact OE2-CA 3.34Å; E548-S632 VanDerWaalsContact OE2-CB 3.22Å; E548-S632 WeakPolarHBondContact OE2-CB 3.36Å; E548-S632 PolarHBondContact OE2-N 3.45Å; E548-S632 PolarHBondContact OE2-OG 3.29Å; K552-S632 PolarHBondContact NZ-OG 3.08Å; S632-N679 PolarHBondContact O-ND2 3.25Å
633	N	90.7	Very high	90	Very high	101 Å²	101	37.6 Å²	37.6	54%	0.54	19%	0.193	S	C	.	.	S	Bend	trans	-121.8	-49.2	-178	-57.7	-19.6	0	0	0	109.2	E548 K552 H682	E548-N633 WeakPolarHBondContact OE2-CB 3.42Å; E548-N633 PolarHBondContact OE2-N 3.08Å; K552-N633 PolarHBondContact NZ-OD1 2.98Å; N633-H682 PolarHBondContact O-CD2 2.84Å
634	T	93.6	Very high	90	Very high	26 Å²	26	34.2 Å²	34.2	16%	0.16	18%	0.175	C	C	.	.	S	Bend	trans	-57	141.9	176.6	-61.3	0	0	0	0	112.1	P545 E548 L631 C636 N679	P545-T634 HydrophobicContact CB-CG2 3.93Å; E548-T634 VanDerWaalsContact OE1-CB 3.3Å; E548-T634 WeakPolarHBondContact OE1-CB 3.43Å; E548-T634 PolarHBondContact OE1-N 3.27Å; E548-T634 PolarHBondContact OE1-OG1 2.8Å; L631-T634 HydrophobicContact CD2-CG2 4.39Å; T634-C636 VanDerWaalsContact CG2-O 3.28Å; T634-C636 WeakPolarHBondContact CG2-O 3.23Å; T634-N679 VanDerWaalsContact O-CB 3.25Å; T634-N679 WeakPolarHBondContact O-CB 3.28Å; T634-N679 PolarHBondContact O-ND2 2.72Å
635	P	93.5	Very high	90	Very high	30 Å²	30	30 Å²	30	20%	0.195	16%	0.156	C	C	.	.	S	Bend	trans	-68.7	-42.8	-178.3	23.3	-34.3	0	0	0	115.4	N679 M685 L708	P635-N679 VanDerWaalsContact O-CB 3.29Å; P635-N679 WeakPolarHBondContact O-CB 3.44Å; P635-N679 PolarHBondContact O-N 2.55Å; P635-M685 HydrophobicContact CB-CE 4.31Å; P635-M685 WeakPolarHBondContact O-CE 3.05Å; P635-L708 HydrophobicContact CB-CD2 4.22Å; P635-L708 HydrophobicContact CG-CD2 4.07Å
636	C	93.7	Very high	89.9	Confident	5 Å²	5	29.1 Å²	29.1	3%	0.034	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	162.4	-175	38	0	0	0	0	110.5	T634 F676 E677 I678 M685	T634-C636 VanDerWaalsContact CG2-O 3.28Å; T634-C636 WeakPolarHBondContact CG2-O 3.23Å; C636-F676 HydrophobicContact CB-CE1 4.28Å; C636-F676 HydrophobicContact CB-CE2 3.92Å; C636-F676 HydrophobicContact CB-CZ 3.65Å; C636-E677 CarbonylContact C-O 3.58Å; C636-E677 WeakPolarHBondContact CA-O 3.4Å; C636-E677 WeakPolarHBondContact CB-O 3.45Å; C636-I678 HydrophobicContact CB-CG2 4.31Å; C636-M685 HydrophobicContact CB-CE 3.6Å; C636-M685 VanDerWaalsContact SG-CE 3.58Å
637	A	93.9	Very high	89.8	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	150.4	171.9	0	0	0	0	0	109.9	P545 F546 L631 E677	P545-A637 HydrophobicContact CB-CB 4.25Å; P545-A637 HydrophobicContact CG-CB 3.97Å; F546-A637 HydrophobicContact CE1-CB 4.02Å; L631-A637 HydrophobicContact CD1-CB 4.38Å; L631-A637 HydrophobicContact CD2-CB 3.96Å; A637-E677 PolarHBondContact N-O 2.94Å; A637-E677 PolarHBondContact O-N 2.73Å
638	L	93.2	Very high	89.8	Confident	5 Å²	5	28.2 Å²	28.2	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	140.2	161.7	-103.9	72.5	0	0	0	109.8	F546 K674 V675 F676 F709 A712 V713 S716 F718	F546-L638 WeakPolarHBondContact CE1-O 3.39Å; F546-L638 WeakPolarHBondContact CZ-O 3.42Å; L638-K674 HydrophobicContact CD2-CB 3.84Å; L638-K674 HydrophobicContact CD2-CD 3.98Å; L638-K674 HydrophobicContact CD2-CG 4.43Å; L638-K674 HydrophobicContact CG-CB 4.24Å; L638-V675 CarbonylContact C-O 3.56Å; L638-F676 HydrophobicContact CD1-CD2 3.93Å; L638-F676 HydrophobicContact CD1-CE2 4.44Å; L638-F709 HydrophobicContact CD1-CD2 4.02Å; L638-F709 HydrophobicContact CD1-CE2 3.64Å; L638-F709 HydrophobicContact CD1-CZ 4.29Å; L638-A712 HydrophobicContact CD1-CB 4.21Å; L638-V713 HydrophobicContact CD1-CG2 4.06Å; L638-V713 HydrophobicContact CD2-CG2 4.01Å; L638-S716 PolarHBondContact N-OG 2.82Å; L638-S716 WeakPolarHBondContact O-CB 3.21Å; L638-S716 PolarHBondContact O-OG 3.09Å; L638-F718 HydrophobicContact CB-CD2 3.86Å; L638-F718 HydrophobicContact CB-CE2 3.73Å; L638-F718 HydrophobicContact CD2-CD2 3.97Å; L638-F718 HydrophobicContact CD2-CE2 4.23Å
639	V	92.9	Very high	89.8	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.1	175	176.4	0	0	0	0	107	F546 A584 G586 V675 E677	F546-V639 HydrophobicContact CE1-CG2 4.05Å; A584-V639 WeakPolarHBondContact O-CG1 3.31Å; G586-V639 WeakPolarHBondContact O-CG1 3.44Å; V639-V675 HydrophobicContact CB-CB 4.31Å; V639-V675 PolarHBondContact N-O 2.86Å; V639-V675 WeakPolarHBondContact O-CA 3.22Å; V639-V675 WeakPolarHBondContact O-CB 3.34Å; V639-V675 PolarHBondContact O-N 2.81Å; V639-E677 HydrophobicContact CG2-CB 4.19Å; V639-E677 HydrophobicContact CG2-CG 3.99Å
640	A	91.6	Very high	90	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.025	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-73	158.1	176.8	0	0	0	0	0	111.6	A584 K585 G586 W645 F718	A584-A640 PolarHBondContact O-N 2.96Å; K585-A640 CarbonylContact C-O 3.43Å; K585-A640 HydrophobicContact CG-CB 4.1Å; G586-A640 PolarHBondContact N-O 2.87Å; A640-W645 WeakPolarHBondContact CB-O 3.4Å; A640-F718 HydrophobicContact CB-CZ 4.46Å
641	N	88.1	Confident	89.9	Confident	51 Å²	51	33.3 Å²	33.3	27%	0.273	16%	0.162	S	C	.	.			trans	-63.1	169	167.7	-71.3	-28.7	0	0	0	110.8	F643 K673 V675	N641-F643 VanDerWaalsContact C-N 3.28Å; N641-F643 PolarHBondContact O-N 3.31Å; N641-K673 PolarHBondContact ND2-O 2.82Å; N641-V675 WeakPolarHBondContact OD1-CG2 3.45Å
642	E	83.6	Confident	89.7	Confident	105 Å²	105	34 Å²	34	49%	0.491	17%	0.166	S	C	.	.	S	Bend	trans	-67	-34.2	-174.1	-44.1	-137.8	124.7	0	0	111.2	G586 T587	G586-E642 WeakPolarHBondContact CA-OE1 3.15Å; T587-E642 PolarHBondContact N-OE1 2.75Å
643	F	82.9	Confident	89.5	Confident	171 Å²	171	34.3 Å²	34.3	75%	0.75	17%	0.166	S	C	*	.	S	Bend	trans	-92.5	-44.5	177.3	-53.5	-75.9	0	0	0	113.1	K585 N641	K585-F643 PolarHBondContact NZ-O 2.97Å; N641-F643 VanDerWaalsContact C-N 3.28Å; N641-F643 PolarHBondContact O-N 3.31Å
644	G	85	Confident	89.1	Confident	2 Å²	2	34.6 Å²	34.6	2%	0.021	17%	0.171	C	C	.	.	S	Bend	trans	-57.3	163	-177.1	0	0	0	0	0	115.5	K585	K585-G644 WeakPolarHBondContact CD-O 3.5Å; K585-G644 WeakPolarHBondContact CE-O 3.43Å; K585-G644 PolarHBondContact NZ-O 2.78Å
645	W	88.1	Confident	88.6	Confident	26 Å²	26	36.9 Å²	36.9	10%	0.098	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-64.5	147.1	-171	-70.6	-7.8	0	0	0	114.7	A640 M649 E650 M653 S666 Y669	A640-W645 WeakPolarHBondContact CB-O 3.4Å; W645-M649 HydrophobicContact CB-CB 4.27Å; W645-M649 HydrophobicContact CB-CG 4.39Å; W645-M649 HydrophobicContact CG-CG 4.13Å; W645-E650 HydrophobicContact CB-CB 4.35Å; W645-E650 HydrophobicContact CE3-CB 4.14Å; W645-E650 HydrophobicContact CE3-CG 4.36Å; W645-M653 HydrophobicContact CD2-CG 4.37Å; W645-M653 HydrophobicContact CE3-CB 4.35Å; W645-M653 HydrophobicContact CE3-CG 4.28Å; W645-M653 HydrophobicContact CH2-CB 3.5Å; W645-M653 VanDerWaalsContact CH2-CB 3.5Å; W645-M653 HydrophobicContact CH2-CG 3.54Å; W645-M653 HydrophobicContact CH2-SD 4.39Å; W645-M653 HydrophobicContact CZ2-CB 4.18Å; W645-M653 HydrophobicContact CZ2-CG 3.68Å; W645-M653 HydrophobicContact CZ2-SD 4.21Å; W645-M653 HydrophobicContact CZ3-CB 3.61Å; W645-M653 HydrophobicContact CZ3-CG 3.87Å; W645-S666 WeakPolarHBondContact CH2-OG 3.42Å; W645-Y669 VanDerWaalsContact CE2-CB 3.46Å; W645-Y669 AromaticContact NE1-CG 3.78Å
646	S	90.4	Very high	88	Confident	2 Å²	2	39 Å²	39	1%	0.014	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-73	150.9	166.5	132.8	0	0	0	0	108.3	E566 N648 M649 E650	E566-S646 WeakPolarHBondContact OE1-CB 3.38Å; E566-S646 PolarHBondContact OE1-OG 2.76Å; S646-N648 PolarHBondContact O-N 2.78Å; S646-N648 PolarHBondContact OG-N 2.89Å; S646-N648 VanDerWaalsContact OG-N 3.11Å; S646-M649 CarbonylContact O-C 3.5Å; S646-M649 WeakPolarHBondContact O-CA 3.44Å; S646-M649 WeakPolarHBondContact O-CB 3.09Å; S646-M649 PolarHBondContact O-N 3Å; S646-M649 PolarHBondContact OG-N 3.41Å; S646-E650 WeakPolarHBondContact O-CB 3.34Å; S646-E650 PolarHBondContact O-N 3.36Å
647	G	89.4	Confident	86.5	Confident	3 Å²	3	43.1 Å²	43.1	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-59.6	-30.5	175.3	0	0	0	0	0	113	R651 G717	G647-R651 VanDerWaalsContact O-CB 3.29Å; G647-R651 WeakPolarHBondContact O-CB 3.34Å; G647-R651 PolarHBondContact O-N 3.04Å; G647-R651 VanDerWaalsContact O-N 3.13Å; G647-G717 CarbonylContact C-O 3.25Å; G647-G717 VanDerWaalsContact CA-O 3.26Å; G647-G717 WeakPolarHBondContact CA-O 3.42Å; G647-G717 VanDerWaalsContact O-O 3.06Å
648	N	90.9	Very high	85	Confident	16 Å²	16	53.6 Å²	53.6	9%	0.086	28%	0.275	C	S	.	.	H	α-helix	trans	-74.8	-27.5	171.4	-177.9	80.1	0	0	0	113.2	A535 A536 E566 S646 R651 I652	A535-N648 WeakPolarHBondContact CA-OD1 3.48Å; A536-N648 PolarHBondContact N-OD1 2.65Å; E566-N648 PolarHBondContact OE1-ND2 3.01Å; S646-N648 PolarHBondContact O-N 2.78Å; S646-N648 PolarHBondContact OG-N 2.89Å; S646-N648 VanDerWaalsContact OG-N 3.11Å; N648-R651 PolarHBondContact OD1-NH2 2.79Å; N648-I652 WeakPolarHBondContact ND2-CD1 3.38Å; N648-I652 VanDerWaalsContact O-CD1 3.24Å; N648-I652 WeakPolarHBondContact O-CD1 3.4Å; N648-I652 WeakPolarHBondContact O-CG1 3.3Å; N648-I652 PolarHBondContact O-N 3.43Å
649	M	88.7	Confident	83.5	Confident	7 Å²	7	55.5 Å²	55.5	3%	0.034	28%	0.284	C	S	.	.	H	α-helix	trans	-75	-45.9	175	-171.9	64	137.1	0	0	111.1	E566 W645 S646 R651 I652 M653	E566-M649 HydrophobicContact CB-CE 3.92Å; E566-M649 HydrophobicContact CB-SD 3.46Å; E566-M649 WeakPolarHBondContact CB-SD 3.04Å; E566-M649 HydrophobicContact CG-CB 4.48Å; E566-M649 HydrophobicContact CG-SD 4.01Å; E566-M649 PolarHBondContact OE1-N 3.19Å; W645-M649 HydrophobicContact CB-CB 4.27Å; W645-M649 HydrophobicContact CB-CG 4.39Å; W645-M649 HydrophobicContact CG-CG 4.13Å; S646-M649 CarbonylContact O-C 3.5Å; S646-M649 WeakPolarHBondContact O-CA 3.44Å; S646-M649 WeakPolarHBondContact O-CB 3.09Å; S646-M649 PolarHBondContact O-N 3Å; S646-M649 PolarHBondContact OG-N 3.41Å; M649-R651 VanDerWaalsContact C-N 3.32Å; M649-R651 PolarHBondContact O-N 2.92Å; M649-I652 WeakPolarHBondContact O-CA 2.99Å; M649-I652 WeakPolarHBondContact O-CB 3.25Å; M649-I652 PolarHBondContact O-N 3.41Å; M649-M653 HydrophobicContact CE-CE 3.6Å; M649-M653 HydrophobicContact CG-CE 4.27Å; M649-M653 HydrophobicContact CG-CG 4.4Å; M649-M653 WeakPolarHBondContact O-CG 3.37Å; M649-M653 PolarHBondContact O-N 2.67Å; M649-M653 HydrophobicContact SD-CE 3.76Å
650	E	88.3	Confident	81.6	Confident	25 Å²	25	59 Å²	59	12%	0.117	30%	0.297	C	S	.	.	H	α-helix	trans	-54.9	-46.9	174.3	-174.8	175.1	145.9	0	0	111	W645 S646 I652 M653 T654 K674 F718	W645-E650 HydrophobicContact CB-CB 4.35Å; W645-E650 HydrophobicContact CE3-CB 4.14Å; W645-E650 HydrophobicContact CE3-CG 4.36Å; S646-E650 WeakPolarHBondContact O-CB 3.34Å; S646-E650 PolarHBondContact O-N 3.36Å; E650-I652 PolarHBondContact O-N 2.77Å; E650-M653 PolarHBondContact O-N 3.33Å; E650-T654 PolarHBondContact O-N 3.49Å; E650-T654 VanDerWaalsContact O-N 3.07Å; E650-T654 PolarHBondContact O-OG1 2.92Å; E650-T654 VanDerWaalsContact O-OG1 3.13Å; E650-K674 IonicContact OE1-NZ 3.76Å; E650-K674 PolarHBondContact OE1-NZ 3.26Å; E650-K674 IonicContact OE2-NZ 3.73Å; E650-K674 PolarHBondContact OE2-NZ 2.92Å; E650-F718 WeakPolarHBondContact OE2-CD1 3.39Å; E650-F718 WeakPolarHBondContact OE2-CE1 3.34Å
651	R	88	Confident	79.9	Confident	106 Å²	106	59.5 Å²	59.5	40%	0.4	30%	0.303	S	S	.	.	H	α-helix	trans	-68	-13.5	173.4	-167.1	-168.4	64.3	80.8	9.5	114.8	G647 N648 M649 A655	G647-R651 VanDerWaalsContact O-CB 3.29Å; G647-R651 WeakPolarHBondContact O-CB 3.34Å; G647-R651 PolarHBondContact O-N 3.04Å; G647-R651 VanDerWaalsContact O-N 3.13Å; N648-R651 PolarHBondContact OD1-NH2 2.79Å; M649-R651 VanDerWaalsContact C-N 3.32Å; M649-R651 PolarHBondContact O-N 2.92Å; R651-A655 WeakPolarHBondContact O-CB 3.49Å
652	I	88.8	Confident	78.6	Confident	15 Å²	15	58.8 Å²	58.8	8%	0.077	31%	0.307	C	S	.	.	H	α-helix	trans	-92	-43.5	174.8	-76.1	165	0	0	0	110	P563 E566 Y567 N648 M649 E650 A655 Q656	P563-I652 HydrophobicContact CB-CD1 3.83Å; P563-I652 HydrophobicContact CB-CG1 4.2Å; P563-I652 HydrophobicContact CB-CG2 4.44Å; E566-I652 HydrophobicContact CG-CD1 4.24Å; Y567-I652 HydrophobicContact CE2-CG2 3.82Å; Y567-I652 WeakPolarHBondContact OH-CG2 3.41Å; N648-I652 WeakPolarHBondContact ND2-CD1 3.38Å; N648-I652 VanDerWaalsContact O-CD1 3.24Å; N648-I652 WeakPolarHBondContact O-CD1 3.4Å; N648-I652 WeakPolarHBondContact O-CG1 3.3Å; N648-I652 PolarHBondContact O-N 3.43Å; M649-I652 WeakPolarHBondContact O-CA 2.99Å; M649-I652 WeakPolarHBondContact O-CB 3.25Å; M649-I652 PolarHBondContact O-N 3.41Å; E650-I652 PolarHBondContact O-N 2.77Å; I652-A655 CarbonylContact O-C 3.59Å; I652-A655 PolarHBondContact O-N 2.86Å; I652-Q656 PolarHBondContact O-N 3.14Å
653	M	85.1	Confident	77.9	Confident	20 Å²	20	56.4 Å²	56.4	10%	0.099	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-54.7	178.6	-64.7	-70.8	175.7	0	0	110.2	Y567 W645 M649 E650 A655 Q656 Q659	Y567-M653 HydrophobicContact CD1-CE 4.46Å; Y567-M653 HydrophobicContact CE1-CE 3.67Å; W645-M653 HydrophobicContact CD2-CG 4.37Å; W645-M653 HydrophobicContact CE3-CB 4.35Å; W645-M653 HydrophobicContact CE3-CG 4.28Å; W645-M653 HydrophobicContact CH2-CB 3.5Å; W645-M653 VanDerWaalsContact CH2-CB 3.5Å; W645-M653 HydrophobicContact CH2-CG 3.54Å; W645-M653 HydrophobicContact CH2-SD 4.39Å; W645-M653 HydrophobicContact CZ2-CB 4.18Å; W645-M653 HydrophobicContact CZ2-CG 3.68Å; W645-M653 HydrophobicContact CZ2-SD 4.21Å; W645-M653 HydrophobicContact CZ3-CB 3.61Å; W645-M653 HydrophobicContact CZ3-CG 3.87Å; M649-M653 HydrophobicContact CE-CE 3.6Å; M649-M653 HydrophobicContact CG-CE 4.27Å; M649-M653 HydrophobicContact CG-CG 4.4Å; M649-M653 WeakPolarHBondContact O-CG 3.37Å; M649-M653 PolarHBondContact O-N 2.67Å; M649-M653 HydrophobicContact SD-CE 3.76Å; E650-M653 PolarHBondContact O-N 3.33Å; M653-A655 PolarHBondContact O-N 2.89Å; M653-Q656 PolarHBondContact O-N 2.79Å; M653-Q656 PolarHBondContact SD-OE1 2.94Å; M653-Q659 PolarHBondContact O-OE1 2.68Å
654	T	82.1	Confident	77.2	Confident	106 Å²	106	52 Å²	52	65%	0.65	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	29.1	173.3	-37.9	0	0	0	0	113.3	E650	E650-T654 PolarHBondContact O-N 3.49Å; E650-T654 VanDerWaalsContact O-N 3.07Å; E650-T654 PolarHBondContact O-OG1 2.92Å; E650-T654 VanDerWaalsContact O-OG1 3.13Å
655	A	82.2	Confident	76.6	Confident	75 Å²	75	54.7 Å²	54.7	62%	0.62	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.3	18.7	173.2	0	0	0	0	0	111.8	R651 I652 M653	R651-A655 WeakPolarHBondContact O-CB 3.49Å; I652-A655 CarbonylContact O-C 3.59Å; I652-A655 PolarHBondContact O-N 2.86Å; M653-A655 PolarHBondContact O-N 2.89Å
656	Q	80.6	Confident	76	Confident	75 Å²	75	54 Å²	54	35%	0.35	31%	0.311	S	S	.	.			trans	-90.2	132.7	160	-65.8	-177.6	-134.6	0	0	107.5	Y567 I652 M653 Q659	Y567-Q656 PolarHBondContact OH-OE1 2.88Å; I652-Q656 PolarHBondContact O-N 3.14Å; M653-Q656 PolarHBondContact O-N 2.79Å; M653-Q656 PolarHBondContact SD-OE1 2.94Å; Q656-Q659 HydrophobicContact CB-CB 4.34Å; Q656-Q659 HydrophobicContact CB-CG 4.09Å; Q656-Q659 PolarHBondContact O-N 3.04Å
657	A	62.3	Low	75.3	Confident	90 Å²	90	57 Å²	57	74%	0.744	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-55.1	172.5	0	0	0	0	0	110.3	Q659	A657-Q659 PolarHBondContact O-N 3.15Å
658	Y	63.5	Low	74.9	Confident	221 Å²	221	63.6 Å²	63.6	87%	0.867	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	37.3	170.9	-40.8	-72.6	0	0	0	114.1	R660	Y658-R660 VanDerWaalsContact C-N 3.34Å
659	Q	60.2	Low	74.3	Confident	45 Å²	45	67.1 Å²	67.1	21%	0.21	37%	0.367	C	S	.	.			trans	-94.9	77.7	149.5	-93.9	-140.4	-58.7	0	0	107.3	M653 Q656 A657 G661 S666	M653-Q659 PolarHBondContact O-OE1 2.68Å; Q656-Q659 HydrophobicContact CB-CB 4.34Å; Q656-Q659 HydrophobicContact CB-CG 4.09Å; Q656-Q659 PolarHBondContact O-N 3.04Å; A657-Q659 PolarHBondContact O-N 3.15Å; Q659-G661 PolarHBondContact O-N 3.3Å; Q659-S666 PolarHBondContact NE2-OG 3.48Å
660	R	54.7	Low	73.8	Confident	75 Å²	75	68.5 Å²	68.5	28%	0.283	38%	0.378	S	S	.	.			trans	-26.5	111.6	151.8	-84	-173.5	172	157.5	-11.9	109.5	Y658 D1781 E1782 D1783 G1788 P1790 R1793	Y658-R660 VanDerWaalsContact C-N 3.34Å; R660-D1781 IonicContact CZ-OD1 2.7Å; R660-D1781 IonicContact NH2-OD1 2.77Å; R660-D1781 PolarHBondContact NH2-OD1 3.13Å; R660-E1782 WeakPolarHBondContact CD-O 3.26Å; R660-E1782 VanDerWaalsContact CZ-CB 3.46Å; R660-E1782 VanDerWaalsContact CZ-CD 3.46Å; R660-E1782 IonicContact CZ-OE1 2.94Å; R660-E1782 IonicContact CZ-OE2 2.65Å; R660-E1782 PolarHBondContact NE-O 3.39Å; R660-E1782 IonicContact NH1-OE1 3.32Å; R660-E1782 PolarHBondContact NH1-OE1 3.12Å; R660-E1782 IonicContact NH1-OE2 3.15Å; R660-E1782 PolarHBondContact NH1-OE2 2.89Å; R660-E1782 IonicContact NH2-OE2 2.63Å; R660-D1783 WeakPolarHBondContact CG-OD2 3.42Å; R660-G1788 CarbonylContact C-O 3.21Å; R660-G1788 WeakPolarHBondContact CA-O 3.44Å; R660-P1790 VanDerWaalsContact CB-CD 3.43Å; R660-P1790 HydrophobicContact CB-CG 3.73Å; R660-P1790 HydrophobicContact CG-CG 4.1Å; R660-R1793 PolarHBondContact O-NH1 2.89Å
661	G	55.7	Low	73.4	Confident	14 Å²	14	71.6 Å²	71.6	14%	0.144	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	154.6	-176.8	0	0	0	0	0	112.1	Q659 G1788 P1790 R1793	Q659-G661 PolarHBondContact O-N 3.3Å; G661-G1788 PolarHBondContact N-O 2.9Å; G661-P1790 WeakPolarHBondContact O-CD 3.45Å; G661-P1790 WeakPolarHBondContact O-CG 3.12Å; G661-R1793 WeakPolarHBondContact O-CD 3.46Å; G661-R1793 PolarHBondContact O-NH1 2.87Å
662	G	59.5	Low	73.2	Confident	36 Å²	36	68.4 Å²	68.4	37%	0.371	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn		-102.6	82	-52.2	0	0	0	0	0	112.5	A664 T667	G662-A664 PolarHBondContact O-N 2.97Å; G662-T667 PolarHBondContact O-OG1 2.94Å
663	D	68.5	Low	72.9	Confident	54 Å²	54	72.3 Å²	72.3	29%	0.289	41%	0.405	S	S	.	.			trans	-20.6	121.6	177.8	157.3	19.9	0	0	0	113.8	S665 S666 T667	D663-S665 VanDerWaalsContact CG-OG 3.29Å; D663-S665 PolarHBondContact O-N 3.34Å; D663-S665 WeakPolarHBondContact OD1-CA 3.45Å; D663-S665 WeakPolarHBondContact OD1-CB 3.49Å; D663-S665 PolarHBondContact OD1-N 2.83Å; D663-S665 PolarHBondContact OD1-OG 2.9Å; D663-S665 PolarHBondContact OD2-OG 3.44Å; D663-S666 CarbonylContact O-C 3.54Å; D663-S666 WeakPolarHBondContact O-CA 3.47Å; D663-S666 VanDerWaalsContact O-CB 3.23Å; D663-S666 WeakPolarHBondContact O-CB 3.24Å; D663-S666 PolarHBondContact O-N 3.41Å; D663-S666 PolarHBondContact OD1-N 3.41Å; D663-S666 WeakPolarHBondContact OD2-CB 2.94Å; D663-S666 PolarHBondContact OD2-N 2.74Å; D663-T667 PolarHBondContact O-N 3.15Å; D663-T667 PolarHBondContact O-OG1 3.25Å
664	A	69.5	Low	73.2	Confident	79 Å²	79	73 Å²	73	65%	0.653	41%	0.407	S	S	*	.	H	α-helix	trans	-54.4	-32.1	-175.1	0	0	0	0	0	113	G662 Y668	G662-A664 PolarHBondContact O-N 2.97Å; A664-Y668 WeakPolarHBondContact O-CB 3.33Å; A664-Y668 PolarHBondContact O-N 2.83Å
665	S	72.8	Confident	73.7	Confident	59 Å²	59	68.8 Å²	68.8	41%	0.413	38%	0.381	S	S	.	.	H	α-helix	trans	-71.1	-47.8	174.1	93.4	0	0	0	0	111.7	D663 Y668 Y669	D663-S665 VanDerWaalsContact CG-OG 3.29Å; D663-S665 PolarHBondContact O-N 3.34Å; D663-S665 WeakPolarHBondContact OD1-CA 3.45Å; D663-S665 WeakPolarHBondContact OD1-CB 3.49Å; D663-S665 PolarHBondContact OD1-N 2.83Å; D663-S665 PolarHBondContact OD1-OG 2.9Å; D663-S665 PolarHBondContact OD2-OG 3.44Å; S665-Y668 PolarHBondContact O-N 2.96Å; S665-Y669 WeakPolarHBondContact O-CD2 3.48Å; S665-Y669 PolarHBondContact O-N 3.04Å
666	S	74.7	Confident	74.2	Confident	10 Å²	10	65.2 Å²	65.2	7%	0.07	35%	0.352	C	S	.	.	H	α-helix	trans	-54.3	-52.5	173.4	176.6	0	0	0	0	111.2	W645 Q659 D663 Y668 Y669 S670	W645-S666 WeakPolarHBondContact CH2-OG 3.42Å; Q659-S666 PolarHBondContact NE2-OG 3.48Å; D663-S666 CarbonylContact O-C 3.54Å; D663-S666 WeakPolarHBondContact O-CA 3.47Å; D663-S666 VanDerWaalsContact O-CB 3.23Å; D663-S666 WeakPolarHBondContact O-CB 3.24Å; D663-S666 PolarHBondContact O-N 3.41Å; D663-S666 PolarHBondContact OD1-N 3.41Å; D663-S666 WeakPolarHBondContact OD2-CB 2.94Å; D663-S666 PolarHBondContact OD2-N 2.74Å; S666-Y668 PolarHBondContact O-N 3.01Å; S666-Y669 PolarHBondContact O-N 3.29Å; S666-S670 VanDerWaalsContact O-CB 3.3Å; S666-S670 WeakPolarHBondContact O-CB 3.4Å; S666-S670 PolarHBondContact O-N 2.8Å
667	T	76	Confident	74.8	Confident	67 Å²	67	62.1 Å²	62.1	41%	0.411	34%	0.337	S	S	.	.	H	α-helix	trans	-62.6	-40.3	179.4	-67.4	0	0	0	0	111.7	G662 D663 T671	G662-T667 PolarHBondContact O-OG1 2.94Å; D663-T667 PolarHBondContact O-N 3.15Å; D663-T667 PolarHBondContact O-OG1 3.25Å; T667-T671 HydrophobicContact CG2-CG2 4.37Å; T667-T671 WeakPolarHBondContact O-CB 3.49Å; T667-T671 VanDerWaalsContact O-CG2 3.22Å; T667-T671 WeakPolarHBondContact O-CG2 2.76Å; T667-T671 PolarHBondContact O-N 3.08Å; T667-T671 PolarHBondContact O-OG1 3.44Å
668	Y	81.1	Confident	76.3	Confident	141 Å²	141	57.9 Å²	57.9	55%	0.553	30%	0.302	S	S	*	.	H	α-helix	trans	-62.2	-46.1	173.2	178.6	-101.5	0	0	0	112.9	A664 S665 S666 T671 M672	A664-Y668 WeakPolarHBondContact O-CB 3.33Å; A664-Y668 PolarHBondContact O-N 2.83Å; S665-Y668 PolarHBondContact O-N 2.96Å; S666-Y668 PolarHBondContact O-N 3.01Å; Y668-T671 PolarHBondContact O-OG1 2.82Å; Y668-M672 HydrophobicContact CD1-CE 4.04Å; Y668-M672 HydrophobicContact CE1-CE 3.29Å; Y668-M672 WeakPolarHBondContact O-CG 3.15Å; Y668-M672 PolarHBondContact O-N 2.76Å
669	Y	79.1	Confident	77.7	Confident	89 Å²	89	47.3 Å²	47.3	35%	0.349	26%	0.261	S	S	.	.	H	α-helix	trans	-72.6	-31.8	-179.7	-73.7	-61.6	0	0	0	113.6	W645 S665 S666 M672	W645-Y669 VanDerWaalsContact CE2-CB 3.46Å; W645-Y669 AromaticContact NE1-CG 3.78Å; S665-Y669 WeakPolarHBondContact O-CD2 3.48Å; S665-Y669 PolarHBondContact O-N 3.04Å; S666-Y669 PolarHBondContact O-N 3.29Å; Y669-M672 HydrophobicContact CD1-CE 3.88Å; Y669-M672 HydrophobicContact CD1-SD 4.48Å; Y669-M672 HydrophobicContact CE1-CE 3.94Å
670	S	77.9	Confident	79.2	Confident	37 Å²	37	45.8 Å²	45.8	26%	0.259	25%	0.254	S	S	.	.	H	α-helix	trans	-69.9	-42.8	174.4	-177.6	0	0	0	0	112.3	S666 M672	S666-S670 VanDerWaalsContact O-CB 3.3Å; S666-S670 WeakPolarHBondContact O-CB 3.4Å; S666-S670 PolarHBondContact O-N 2.8Å; S670-M672 VanDerWaalsContact C-N 3.29Å; S670-M672 PolarHBondContact O-N 3.28Å
671	T	79.7	Confident	80.8	Confident	90 Å²	90	49.9 Å²	49.9	55%	0.552	27%	0.27	S	S	*	.	H	α-helix	trans	-75.1	-11.7	179.5	58	0	0	0	0	114.3	T667 Y668 K673	T667-T671 HydrophobicContact CG2-CG2 4.37Å; T667-T671 WeakPolarHBondContact O-CB 3.49Å; T667-T671 VanDerWaalsContact O-CG2 3.22Å; T667-T671 WeakPolarHBondContact O-CG2 2.76Å; T667-T671 PolarHBondContact O-N 3.08Å; T667-T671 PolarHBondContact O-OG1 3.44Å; Y668-T671 PolarHBondContact O-OG1 2.82Å; T671-K673 PolarHBondContact O-N 3.03Å; T671-K673 VanDerWaalsContact O-N 3.1Å
672	M	84.1	Confident	82.6	Confident	39 Å²	39	51.2 Å²	51.2	19%	0.192	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-51.1	116.6	177.4	-83.6	-148.5	-176.9	0	0	113	Y668 Y669 S670 K674	Y668-M672 HydrophobicContact CD1-CE 4.04Å; Y668-M672 HydrophobicContact CE1-CE 3.29Å; Y668-M672 WeakPolarHBondContact O-CG 3.15Å; Y668-M672 PolarHBondContact O-N 2.76Å; Y669-M672 HydrophobicContact CD1-CE 3.88Å; Y669-M672 HydrophobicContact CD1-SD 4.48Å; Y669-M672 HydrophobicContact CE1-CE 3.94Å; S670-M672 VanDerWaalsContact C-N 3.29Å; S670-M672 PolarHBondContact O-N 3.28Å; M672-K674 VanDerWaalsContact O-CG 3.27Å; M672-K674 WeakPolarHBondContact O-CG 3.14Å; M672-K674 PolarHBondContact O-N 2.69Å
673	K	82.3	Confident	84.2	Confident	97 Å²	97	50.7 Å²	50.7	42%	0.422	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-67	132.9	-176.3	-62.3	-165.3	-177.8	-154.4	0	112.8	K619 E620 D623 N641 T671	K619-K673 PolarHBondContact O-NZ 3.09Å; E620-K673 VanDerWaalsContact O-CE 3.23Å; E620-K673 WeakPolarHBondContact O-CE 3.44Å; E620-K673 PolarHBondContact O-NZ 2.89Å; D623-K673 HydrophobicContact CB-CB 3.99Å; N641-K673 PolarHBondContact ND2-O 2.82Å; T671-K673 PolarHBondContact O-N 3.03Å; T671-K673 VanDerWaalsContact O-N 3.1Å
674	K	90.5	Very high	85.3	Confident	33 Å²	33	50.8 Å²	50.8	14%	0.143	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	157.7	-162	-52.9	177	-170.8	178.9	0	110.2	V622 D623 L638 E650 M672 F718	V622-K674 WeakPolarHBondContact CA-O 3.38Å; D623-K674 PolarHBondContact N-O 3.17Å; L638-K674 HydrophobicContact CD2-CB 3.84Å; L638-K674 HydrophobicContact CD2-CD 3.98Å; L638-K674 HydrophobicContact CD2-CG 4.43Å; L638-K674 HydrophobicContact CG-CB 4.24Å; E650-K674 IonicContact OE1-NZ 3.76Å; E650-K674 PolarHBondContact OE1-NZ 3.26Å; E650-K674 IonicContact OE2-NZ 3.73Å; E650-K674 PolarHBondContact OE2-NZ 2.92Å; M672-K674 VanDerWaalsContact O-CG 3.27Å; M672-K674 WeakPolarHBondContact O-CG 3.14Å; M672-K674 PolarHBondContact O-N 2.69Å; K674-F718 HydrophobicContact CD-CD1 4.1Å; K674-F718 HydrophobicContact CD-CE1 3.79Å; K674-F718 HydrophobicContact CD-CZ 4.03Å
675	V	92.1	Very high	86.4	Confident	19 Å²	19	47 Å²	47	12%	0.115	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	124.6	-176.2	-178.7	0	0	0	0	110.2	K624 A626 L638 V639 N641 E677	K624-V675 HydrophobicContact CB-CG1 4.32Å; K624-V675 HydrophobicContact CB-CG2 4.34Å; K624-V675 CarbonylContact O-C 3.41Å; K624-V675 WeakPolarHBondContact O-CA 3.1Å; K624-V675 WeakPolarHBondContact O-CG1 3.41Å; A626-V675 HydrophobicContact CB-CG1 4.42Å; L638-V675 CarbonylContact C-O 3.56Å; V639-V675 HydrophobicContact CB-CB 4.31Å; V639-V675 PolarHBondContact N-O 2.86Å; V639-V675 WeakPolarHBondContact O-CA 3.22Å; V639-V675 WeakPolarHBondContact O-CB 3.34Å; V639-V675 PolarHBondContact O-N 2.81Å; N641-V675 WeakPolarHBondContact OD1-CG2 3.45Å; V675-E677 PolarHBondContact O-N 2.73Å
676	F	94.2	Very high	87.3	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	101.1	177.5	-168.1	-114.1	0	0	0	110.8	F614 V622 K624 T625 A626 C636 L638 I678 F709 A712	F614-F676 HydrophobicContact CD1-CD1 4.49Å; F614-F676 AromaticContact CD1-CE1 3.96Å; F614-F676 HydrophobicContact CD1-CE1 3.96Å; F614-F676 HydrophobicContact CD2-CD1 4.46Å; F614-F676 HydrophobicContact CD2-CE1 4.12Å; F614-F676 AromaticContact CE1-CE1 3.85Å; F614-F676 HydrophobicContact CE1-CE1 3.85Å; F614-F676 HydrophobicContact CE1-CZ 4.4Å; F614-F676 HydrophobicContact CE2-CE1 4.03Å; F614-F676 HydrophobicContact CG-CD1 4.33Å; F614-F676 HydrophobicContact CG-CE1 4.1Å; F614-F676 AromaticContact CZ-CE1 3.89Å; F614-F676 HydrophobicContact CZ-CE1 3.89Å; V622-F676 HydrophobicContact CG1-CB 3.71Å; V622-F676 HydrophobicContact CG2-CB 4.02Å; K624-F676 PolarHBondContact O-N 2.85Å; T625-F676 WeakPolarHBondContact CA-O 3.2Å; T625-F676 HydrophobicContact CG2-CB 4.39Å; A626-F676 PolarHBondContact N-O 2.85Å; C636-F676 HydrophobicContact CB-CE1 4.28Å; C636-F676 HydrophobicContact CB-CE2 3.92Å; C636-F676 HydrophobicContact CB-CZ 3.65Å; L638-F676 HydrophobicContact CD1-CD2 3.93Å; L638-F676 HydrophobicContact CD1-CE2 4.44Å; F676-I678 HydrophobicContact CD1-CG2 3.66Å; F676-I678 HydrophobicContact CE1-CG2 3.46Å; F676-I678 VanDerWaalsContact CE1-CG2 3.46Å; F676-I678 HydrophobicContact CZ-CG2 4.35Å; F676-F709 HydrophobicContact CD2-CD2 4.09Å; F676-F709 HydrophobicContact CE2-CD2 4.07Å; F676-A712 HydrophobicContact CE2-CB 3.97Å
677	E	93	Very high	88.1	Confident	10 Å²	10	54.4 Å²	54.4	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.2	176.1	-90.6	-161.3	-173.9	0	0	111.3	A626 S628 R630 C636 A637 V639 V675	A626-E677 HydrophobicContact CB-CG 4.47Å; A626-E677 WeakPolarHBondContact O-CA 3.48Å; S628-E677 WeakPolarHBondContact CA-OE2 3.25Å; S628-E677 WeakPolarHBondContact CB-OE2 3.33Å; S628-E677 PolarHBondContact OG-OE2 3.08Å; R630-E677 WeakPolarHBondContact CG-OE2 3.34Å; R630-E677 IonicContact CZ-OE1 2.69Å; R630-E677 VanDerWaalsContact CZ-OE1 3.31Å; R630-E677 IonicContact CZ-OE2 3.07Å; R630-E677 VanDerWaalsContact NE-CD 3.33Å; R630-E677 IonicContact NE-OE1 2.78Å; R630-E677 PolarHBondContact NE-OE1 2.9Å; R630-E677 VanDerWaalsContact NE-OE1 3.09Å; R630-E677 IonicContact NE-OE2 3.74Å; R630-E677 PolarHBondContact NE-OE2 2.86Å; R630-E677 IonicContact NH2-OE1 3.23Å; R630-E677 PolarHBondContact NH2-OE1 2.95Å; C636-E677 CarbonylContact C-O 3.58Å; C636-E677 WeakPolarHBondContact CA-O 3.4Å; C636-E677 WeakPolarHBondContact CB-O 3.45Å; A637-E677 PolarHBondContact N-O 2.94Å; A637-E677 PolarHBondContact O-N 2.73Å; V639-E677 HydrophobicContact CG2-CB 4.19Å; V639-E677 HydrophobicContact CG2-CG 3.99Å; V675-E677 PolarHBondContact O-N 2.73Å
678	I	93.8	Very high	88.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	146.2	175.6	68.2	168.9	0	0	0	112.5	L610 L611 F614 A626 L627 S628 C636 F676 P680 M685	L610-I678 HydrophobicContact CD2-CD1 3.73Å; L610-I678 HydrophobicContact CG-CD1 4.15Å; L611-I678 HydrophobicContact CD2-CD1 3.62Å; L611-I678 HydrophobicContact CD2-CG1 3.87Å; L611-I678 HydrophobicContact CG-CD1 4.35Å; F614-I678 HydrophobicContact CD2-CG2 4.35Å; F614-I678 HydrophobicContact CE2-CG2 4.05Å; A626-I678 PolarHBondContact O-N 3.18Å; L627-I678 HydrophobicContact CD2-CD1 3.83Å; L627-I678 HydrophobicContact CD2-CG1 3.58Å; S628-I678 WeakPolarHBondContact CB-O 3.45Å; S628-I678 PolarHBondContact N-O 3Å; C636-I678 HydrophobicContact CB-CG2 4.31Å; F676-I678 HydrophobicContact CD1-CG2 3.66Å; F676-I678 HydrophobicContact CE1-CG2 3.46Å; F676-I678 VanDerWaalsContact CE1-CG2 3.46Å; F676-I678 HydrophobicContact CZ-CG2 4.35Å; I678-P680 VanDerWaalsContact O-CD 3.27Å; I678-P680 WeakPolarHBondContact O-CD 3.13Å; I678-M685 HydrophobicContact CB-CE 3.99Å; I678-M685 HydrophobicContact CB-CG 4.41Å; I678-M685 HydrophobicContact CB-SD 4.14Å; I678-M685 HydrophobicContact CG2-CE 3.71Å; I678-M685 HydrophobicContact CG2-SD 4.17Å
679	N	93.1	Very high	89.2	Confident	0 Å²	0	45 Å²	45	0%	0	21%	0.214	C	C	.	.			trans	-94.4	102.8	177.8	-178.9	-3	0	0	0	110.9	L631 S632 T634 P635 R681 H682	L631-N679 HydrophobicContact CB-CB 4.03Å; L631-N679 HydrophobicContact CD1-CB 4.09Å; S632-N679 PolarHBondContact O-ND2 3.25Å; T634-N679 VanDerWaalsContact O-CB 3.25Å; T634-N679 WeakPolarHBondContact O-CB 3.28Å; T634-N679 PolarHBondContact O-ND2 2.72Å; P635-N679 VanDerWaalsContact O-CB 3.29Å; P635-N679 WeakPolarHBondContact O-CB 3.44Å; P635-N679 PolarHBondContact O-N 2.55Å; N679-R681 PolarHBondContact O-N 3.43Å; N679-R681 WeakPolarHBondContact OD1-CB 3.29Å; N679-R681 WeakPolarHBondContact OD1-CG 2.97Å; N679-R681 PolarHBondContact OD1-N 2.69Å; N679-H682 HydrophobicContact CB-CB 4.26Å; N679-H682 PolarHBondContact O-N 2.64Å
680	P	90.2	Very high	89.7	Confident	12 Å²	12	45 Å²	45	8%	0.078	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-11.4	-178	29.8	-37.8	0	0	0	113.2	L603 F607 L627 I678 K686	L603-P680 HydrophobicContact CD1-CG 4.32Å; F607-P680 HydrophobicContact CD1-CB 4.49Å; F607-P680 HydrophobicContact CD2-CB 3.92Å; F607-P680 HydrophobicContact CE1-CB 4.25Å; F607-P680 HydrophobicContact CE2-CB 3.65Å; F607-P680 HydrophobicContact CG-CB 4.34Å; F607-P680 HydrophobicContact CZ-CB 3.83Å; F607-P680 WeakPolarHBondContact CZ-O 3.33Å; L627-P680 HydrophobicContact CD1-CB 4.25Å; L627-P680 HydrophobicContact CD1-CG 4.15Å; L627-P680 HydrophobicContact CD2-CB 4.28Å; L627-P680 HydrophobicContact CD2-CG 4.41Å; I678-P680 VanDerWaalsContact O-CD 3.27Å; I678-P680 WeakPolarHBondContact O-CD 3.13Å; P680-K686 VanDerWaalsContact O-CE 3.31Å; P680-K686 WeakPolarHBondContact O-CE 3.1Å
681	R	89	Confident	90.2	Very high	162 Å²	162	46.9 Å²	46.9	61%	0.611	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-21.5	177.7	-48	173.9	61.4	95.2	6.4	112.3	N679 K686	N679-R681 PolarHBondContact O-N 3.43Å; N679-R681 WeakPolarHBondContact OD1-CB 3.29Å; N679-R681 WeakPolarHBondContact OD1-CG 2.97Å; N679-R681 PolarHBondContact OD1-N 2.69Å; R681-K686 WeakPolarHBondContact O-CE 3.12Å
682	H	93.9	Very high	90.6	Very high	42 Å²	42	43.2 Å²	43.2	19%	0.194	21%	0.206	C	C	.	.	S	Bend	trans	-76.9	135.4	-172.3	-163.3	-105.4	0	0	0	111.8	N633 N679 V684 M685 K686	N633-H682 PolarHBondContact O-CD2 2.84Å; N679-H682 HydrophobicContact CB-CB 4.26Å; N679-H682 PolarHBondContact O-N 2.64Å; H682-V684 VanDerWaalsContact C-N 3.27Å; H682-V684 PolarHBondContact O-N 3.1Å; H682-M685 PolarHBondContact O-N 3.5Å; H682-K686 PolarHBondContact O-N 2.91Å; H682-K686 VanDerWaalsContact O-N 3.17Å
683	P	92.5	Very high	90.6	Very high	25 Å²	25	46.5 Å²	46.5	16%	0.162	22%	0.22	C	C	.	.	H	α-helix	trans	-57.9	-35.6	-177.3	21.8	-35.6	0	0	0	113.9	K686 K687 E820 N821	P683-K686 PolarHBondContact O-N 3.19Å; P683-K687 WeakPolarHBondContact O-CB 3.43Å; P683-K687 PolarHBondContact O-N 3.28Å; P683-E820 HydrophobicContact CB-CB 3.98Å; P683-E820 VanDerWaalsContact CB-O 3.25Å; P683-E820 WeakPolarHBondContact CB-O 3.13Å; P683-N821 HydrophobicContact CG-CB 4.2Å
684	V	91.5	Very high	90.9	Very high	55 Å²	55	47.4 Å²	47.4	33%	0.333	23%	0.234	S	C	.	.	H	α-helix	trans	-62.3	-45.8	178.3	179.4	0	0	0	0	111.1	H682 K687 L688 L708	H682-V684 VanDerWaalsContact C-N 3.27Å; H682-V684 PolarHBondContact O-N 3.1Å; V684-K687 PolarHBondContact O-N 3.39Å; V684-L688 HydrophobicContact CG1-CD1 4.09Å; V684-L688 WeakPolarHBondContact O-CB 3.21Å; V684-L688 PolarHBondContact O-N 3.01Å; V684-L708 HydrophobicContact CG1-CD1 3.83Å
685	M	93.1	Very high	90.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67.7	-38.2	179.3	-68.6	-58.9	-180	0	0	112.4	L610 F614 P635 C636 I678 H682 L688 N689	L610-M685 HydrophobicContact CD2-CB 4.45Å; L610-M685 HydrophobicContact CD2-SD 4.17Å; F614-M685 HydrophobicContact CE2-CE 4.43Å; F614-M685 HydrophobicContact CE2-SD 4.05Å; F614-M685 HydrophobicContact CZ-CE 4.29Å; F614-M685 HydrophobicContact CZ-SD 4.21Å; P635-M685 HydrophobicContact CB-CE 4.31Å; P635-M685 WeakPolarHBondContact O-CE 3.05Å; C636-M685 HydrophobicContact CB-CE 3.6Å; C636-M685 VanDerWaalsContact SG-CE 3.58Å; I678-M685 HydrophobicContact CB-CE 3.99Å; I678-M685 HydrophobicContact CB-CG 4.41Å; I678-M685 HydrophobicContact CB-SD 4.14Å; I678-M685 HydrophobicContact CG2-CE 3.71Å; I678-M685 HydrophobicContact CG2-SD 4.17Å; H682-M685 PolarHBondContact O-N 3.5Å; M685-L688 PolarHBondContact O-N 2.71Å; M685-L688 HydrophobicContact SD-CD1 4.05Å; M685-N689 WeakPolarHBondContact O-CB 3.08Å; M685-N689 PolarHBondContact O-N 3.46Å
686	K	91	Very high	90	Very high	77 Å²	77	53.1 Å²	53.1	34%	0.335	26%	0.261	S	S	.	.	H	α-helix	trans	-60.5	-44.9	171.7	-65.9	178.5	-173.2	-178.1	0	111.6	F607 P680 R681 H682 P683 N689 V690 E820	F607-K686 HydrophobicContact CZ-CG 4.15Å; P680-K686 VanDerWaalsContact O-CE 3.31Å; P680-K686 WeakPolarHBondContact O-CE 3.1Å; R681-K686 WeakPolarHBondContact O-CE 3.12Å; H682-K686 PolarHBondContact O-N 2.91Å; H682-K686 VanDerWaalsContact O-N 3.17Å; P683-K686 PolarHBondContact O-N 3.19Å; K686-N689 PolarHBondContact O-N 2.97Å; K686-V690 WeakPolarHBondContact O-CG2 3.47Å; K686-V690 PolarHBondContact O-N 2.89Å; K686-V690 VanDerWaalsContact O-N 3.13Å; K686-E820 IonicContact NZ-OE2 2.66Å; K686-E820 PolarHBondContact NZ-OE2 3.01Å
687	K	90.9	Very high	89.3	Confident	147 Å²	147	59.4 Å²	59.4	64%	0.639	29%	0.294	S	S	*	.	H	α-helix	trans	-67.5	-40.7	-179.6	-165.8	179.4	179.4	-170.5	0	111.8	P683 V684 V690 L691	P683-K687 WeakPolarHBondContact O-CB 3.43Å; P683-K687 PolarHBondContact O-N 3.28Å; V684-K687 PolarHBondContact O-N 3.39Å; K687-V690 PolarHBondContact O-N 3.15Å; K687-L691 HydrophobicContact CG-CD1 4.25Å; K687-L691 WeakPolarHBondContact O-CB 3.39Å; K687-L691 VanDerWaalsContact O-CG 3.31Å; K687-L691 WeakPolarHBondContact O-CG 3.34Å; K687-L691 PolarHBondContact O-N 2.95Å
688	L	89.9	Confident	88.8	Confident	7 Å²	7	61.5 Å²	61.5	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-49.1	172.2	-82.2	166.5	0	0	0	111.9	L610 F614 V684 M685 V690 L691 I692 I701 L708	L610-L688 HydrophobicContact CD1-CB 3.96Å; L610-L688 HydrophobicContact CD2-CB 4.38Å; F614-L688 HydrophobicContact CZ-CD1 4.26Å; V684-L688 HydrophobicContact CG1-CD1 4.09Å; V684-L688 WeakPolarHBondContact O-CB 3.21Å; V684-L688 PolarHBondContact O-N 3.01Å; M685-L688 PolarHBondContact O-N 2.71Å; M685-L688 HydrophobicContact SD-CD1 4.05Å; L688-V690 VanDerWaalsContact C-N 3.27Å; L688-V690 PolarHBondContact O-N 2.83Å; L688-L691 PolarHBondContact O-N 2.89Å; L688-L691 VanDerWaalsContact O-N 3.12Å; L688-I692 WeakPolarHBondContact O-CB 3.3Å; L688-I692 PolarHBondContact O-N 3.43Å; L688-I701 HydrophobicContact CD2-CG2 3.74Å; L688-L708 HydrophobicContact CD1-CD1 3.7Å
689	N	90.8	Very high	88.2	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-55.4	-42	177	-167.5	-0.6	0	0	0	111.7	E606 F607 L610 M685 K686 K693	E606-N689 PolarHBondContact O-ND2 2.66Å; E606-N689 VanDerWaalsContact O-ND2 3.14Å; F607-N689 HydrophobicContact CD1-CB 4.13Å; F607-N689 WeakPolarHBondContact CD1-ND2 3.33Å; F607-N689 HydrophobicContact CE1-CB 3.99Å; F607-N689 WeakPolarHBondContact CE1-ND2 3.45Å; F607-N689 WeakPolarHBondContact CG-ND2 3.5Å; L610-N689 HydrophobicContact CB-CB 4.26Å; L610-N689 HydrophobicContact CD2-CB 4.13Å; M685-N689 WeakPolarHBondContact O-CB 3.08Å; M685-N689 PolarHBondContact O-N 3.46Å; K686-N689 PolarHBondContact O-N 2.97Å; N689-K693 PolarHBondContact ND2-NZ 3.18Å; N689-K693 WeakPolarHBondContact O-CB 3.43Å; N689-K693 WeakPolarHBondContact O-CD 3.44Å; N689-K693 VanDerWaalsContact O-CG 3.23Å; N689-K693 WeakPolarHBondContact O-CG 3.27Å; N689-K693 PolarHBondContact O-N 3.21Å; N689-K693 VanDerWaalsContact O-N 3.17Å; N689-K693 WeakPolarHBondContact OD1-CD 3.34Å; N689-K693 WeakPolarHBondContact OD1-CE 3.29Å; N689-K693 PolarHBondContact OD1-NZ 2.83Å
690	V	90.1	Very high	87.8	Confident	90 Å²	90	69.2 Å²	69.2	55%	0.545	36%	0.355	S	S	.	.	H	α-helix	trans	-69.3	-41.9	175.8	173.1	0	0	0	0	112.6	K686 K687 L688 K693 T694	K686-V690 WeakPolarHBondContact O-CG2 3.47Å; K686-V690 PolarHBondContact O-N 2.89Å; K686-V690 VanDerWaalsContact O-N 3.13Å; K687-V690 PolarHBondContact O-N 3.15Å; L688-V690 VanDerWaalsContact C-N 3.27Å; L688-V690 PolarHBondContact O-N 2.83Å; V690-K693 PolarHBondContact O-N 3.32Å; V690-T694 WeakPolarHBondContact O-CB 3.32Å; V690-T694 PolarHBondContact O-N 2.81Å; V690-T694 PolarHBondContact O-OG1 2.84Å
691	L	88.5	Confident	87.6	Confident	75 Å²	75	68.9 Å²	68.9	39%	0.393	35%	0.352	S	S	.	.	H	α-helix	trans	-64.1	-48.8	179.1	-74.3	170.1	0	0	0	111.3	K687 L688 K693 T694 N695 I701	K687-L691 HydrophobicContact CG-CD1 4.25Å; K687-L691 WeakPolarHBondContact O-CB 3.39Å; K687-L691 VanDerWaalsContact O-CG 3.31Å; K687-L691 WeakPolarHBondContact O-CG 3.34Å; K687-L691 PolarHBondContact O-N 2.95Å; L688-L691 PolarHBondContact O-N 2.89Å; L688-L691 VanDerWaalsContact O-N 3.12Å; L691-K693 VanDerWaalsContact C-N 3.32Å; L691-K693 PolarHBondContact O-N 2.71Å; L691-T694 CarbonylContact O-C 3.59Å; L691-T694 WeakPolarHBondContact O-CA 3.33Å; L691-T694 WeakPolarHBondContact O-CB 3.36Å; L691-T694 PolarHBondContact O-N 2.83Å; L691-N695 PolarHBondContact O-N 3.39Å; L691-I701 HydrophobicContact CB-CD1 3.81Å; L691-I701 HydrophobicContact CB-CG1 4.39Å
692	I	87.6	Confident	87.4	Confident	13 Å²	13	63.4 Å²	63.4	7%	0.067	34%	0.339	C	S	.	.	H	α-helix	trans	-63.5	-36.4	179.1	-73.7	156.6	0	0	0	111.8	L610 W613 L688 T694 I701	L610-I692 HydrophobicContact CD1-CD1 3.39Å; W613-I692 HydrophobicContact CB-CD1 4.29Å; W613-I692 HydrophobicContact CB-CG2 3.97Å; W613-I692 HydrophobicContact CD2-CD1 3.39Å; W613-I692 HydrophobicContact CD2-CG1 3.97Å; W613-I692 HydrophobicContact CE3-CD1 3.59Å; W613-I692 HydrophobicContact CG-CD1 3.73Å; W613-I692 HydrophobicContact CG-CG1 4.05Å; W613-I692 HydrophobicContact CG-CG2 3.84Å; W613-I692 HydrophobicContact CH2-CD1 4.4Å; W613-I692 HydrophobicContact CZ2-CD1 4.22Å; W613-I692 HydrophobicContact CZ2-CG1 4.43Å; W613-I692 HydrophobicContact CZ3-CD1 4.1Å; L688-I692 WeakPolarHBondContact O-CB 3.3Å; L688-I692 PolarHBondContact O-N 3.43Å; I692-T694 PolarHBondContact O-N 2.7Å; I692-I701 HydrophobicContact CD1-CG2 3.91Å; I692-I701 HydrophobicContact CG1-CD1 4.35Å; I692-I701 HydrophobicContact CG1-CG2 3.8Å
693	K	85.6	Confident	87	Confident	109 Å²	109	64.6 Å²	64.6	47%	0.474	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-12	170.3	-76.5	169.9	176	158	0	114.4	E606 P609 N689 V690 L691	E606-K693 PolarHBondContact O-NZ 3Å; P609-K693 HydrophobicContact CB-CG 4.49Å; N689-K693 PolarHBondContact ND2-NZ 3.18Å; N689-K693 WeakPolarHBondContact O-CB 3.43Å; N689-K693 WeakPolarHBondContact O-CD 3.44Å; N689-K693 VanDerWaalsContact O-CG 3.23Å; N689-K693 WeakPolarHBondContact O-CG 3.27Å; N689-K693 PolarHBondContact O-N 3.21Å; N689-K693 VanDerWaalsContact O-N 3.17Å; N689-K693 WeakPolarHBondContact OD1-CD 3.34Å; N689-K693 WeakPolarHBondContact OD1-CE 3.29Å; N689-K693 PolarHBondContact OD1-NZ 2.83Å; V690-K693 PolarHBondContact O-N 3.32Å; L691-K693 VanDerWaalsContact C-N 3.32Å; L691-K693 PolarHBondContact O-N 2.71Å
694	T	86.7	Confident	86.7	Confident	116 Å²	116	66.5 Å²	66.5	71%	0.712	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-43.7	-177.6	-53.9	0	0	0	0	112.4	V690 L691 I692	V690-T694 WeakPolarHBondContact O-CB 3.32Å; V690-T694 PolarHBondContact O-N 2.81Å; V690-T694 PolarHBondContact O-OG1 2.84Å; L691-T694 CarbonylContact O-C 3.59Å; L691-T694 WeakPolarHBondContact O-CA 3.33Å; L691-T694 WeakPolarHBondContact O-CB 3.36Å; L691-T694 PolarHBondContact O-N 2.83Å; I692-T694 PolarHBondContact O-N 2.7Å
695	N	82.5	Confident	86.6	Confident	80 Å²	80	63.9 Å²	63.9	43%	0.428	34%	0.34	S	S	.	.			trans	-151.2	108.2	176.4	-172	29.6	0	0	0	108.7	L691 D697 I701	L691-N695 PolarHBondContact O-N 3.39Å; N695-D697 VanDerWaalsContact C-N 3.3Å; N695-D697 PolarHBondContact O-N 2.86Å; N695-I701 VanDerWaalsContact O-CD1 3.3Å; N695-I701 WeakPolarHBondContact O-CD1 3.45Å
696	K	81.6	Confident	86.4	Confident	91 Å²	91	66.3 Å²	66.3	40%	0.396	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-27.9	-176.1	-164.9	-169.3	179.7	-172.6	0	112.6	W613 E616	W613-K696 VanDerWaalsContact CD1-CG 3.49Å; W613-K696 PolarHBondContact NE1-O 2.79Å; E616-K696 IonicContact OE1-NZ 2.71Å; E616-K696 VanDerWaalsContact OE2-CE 3.26Å; E616-K696 WeakPolarHBondContact OE2-CE 3.28Å; E616-K696 IonicContact OE2-NZ 3.31Å; E616-K696 PolarHBondContact OE2-NZ 3.09Å
697	D	80.7	Confident	86.4	Confident	133 Å²	133	64.1 Å²	64.1	71%	0.711	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	21.8	-160.3	-42.4	-43.4	0	0	0	112.9	N695	N695-D697 VanDerWaalsContact C-N 3.3Å; N695-D697 PolarHBondContact O-N 2.86Å
698	D	82.9	Confident	86.5	Confident	53 Å²	53	58.3 Å²	58.3	28%	0.283	32%	0.321	S	S	.	.			trans	-80.7	118.8	176.4	-172.8	-40.6	0	0	0	110.1	T700 I701	D698-T700 PolarHBondContact O-N 3.27Å; D698-T700 VanDerWaalsContact O-N 3.11Å; D698-T700 VanDerWaalsContact OD1-CB 3.32Å; D698-T700 WeakPolarHBondContact OD1-CB 3.34Å; D698-T700 PolarHBondContact OD1-N 3.22Å; D698-T700 PolarHBondContact OD1-OG1 2.83Å; D698-I701 HydrophobicContact CB-CD1 3.75Å; D698-I701 HydrophobicContact CB-CG1 3.89Å; D698-I701 WeakPolarHBondContact O-CB 3.4Å; D698-I701 PolarHBondContact O-N 2.92Å
699	P	81	Confident	86.6	Confident	102 Å²	102	58.8 Å²	58.8	66%	0.662	32%	0.322	S	S	*	.	H	α-helix	trans	-63.7	-21.1	-176.1	26.5	-35.2	0	0	0	113	I701 S702 H703	P699-I701 VanDerWaalsContact C-N 3.28Å; P699-I701 PolarHBondContact O-N 2.87Å; P699-S702 PolarHBondContact O-N 3.28Å; P699-H703 WeakPolarHBondContact O-CB 3.23Å; P699-H703 PolarHBondContact O-N 3.01Å
700	T	84.1	Confident	86.7	Confident	60 Å²	60	59 Å²	59	37%	0.368	32%	0.324	S	S	.	.	H	α-helix	trans	-69.6	-26.6	174.4	68.8	0	0	0	0	112.5	D698 T704	D698-T700 PolarHBondContact O-N 3.27Å; D698-T700 VanDerWaalsContact O-N 3.11Å; D698-T700 VanDerWaalsContact OD1-CB 3.32Å; D698-T700 WeakPolarHBondContact OD1-CB 3.34Å; D698-T700 PolarHBondContact OD1-N 3.22Å; D698-T700 PolarHBondContact OD1-OG1 2.83Å; T700-T704 VanDerWaalsContact O-CB 3.28Å; T700-T704 WeakPolarHBondContact O-CB 3.42Å; T700-T704 PolarHBondContact O-N 2.97Å; T700-T704 VanDerWaalsContact O-N 3.11Å; T700-T704 PolarHBondContact O-OG1 2.88Å
701	I	85.6	Confident	86.8	Confident	5 Å²	5	57.9 Å²	57.9	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-71.3	-46.9	174.3	-56.8	174.4	0	0	0	109.5	W613 L688 L691 I692 N695 D698 P699 T704 A705	W613-I701 HydrophobicContact CH2-CG2 3.59Å; W613-I701 HydrophobicContact CZ2-CB 4.18Å; W613-I701 HydrophobicContact CZ2-CG2 3.42Å; W613-I701 VanDerWaalsContact CZ2-CG2 3.42Å; W613-I701 HydrophobicContact CZ3-CG2 4.43Å; L688-I701 HydrophobicContact CD2-CG2 3.74Å; L691-I701 HydrophobicContact CB-CD1 3.81Å; L691-I701 HydrophobicContact CB-CG1 4.39Å; I692-I701 HydrophobicContact CD1-CG2 3.91Å; I692-I701 HydrophobicContact CG1-CD1 4.35Å; I692-I701 HydrophobicContact CG1-CG2 3.8Å; N695-I701 VanDerWaalsContact O-CD1 3.3Å; N695-I701 WeakPolarHBondContact O-CD1 3.45Å; D698-I701 HydrophobicContact CB-CD1 3.75Å; D698-I701 HydrophobicContact CB-CG1 3.89Å; D698-I701 WeakPolarHBondContact O-CB 3.4Å; D698-I701 PolarHBondContact O-N 2.92Å; P699-I701 VanDerWaalsContact C-N 3.28Å; P699-I701 PolarHBondContact O-N 2.87Å; I701-T704 PolarHBondContact O-N 2.99Å; I701-A705 VanDerWaalsContact O-CB 3.32Å; I701-A705 WeakPolarHBondContact O-CB 3.46Å; I701-A705 PolarHBondContact O-N 3.1Å
702	S	86	Confident	87	Confident	48 Å²	48	54.4 Å²	54.4	34%	0.336	30%	0.299	S	S	.	.	H	α-helix	trans	-58.3	-52.7	175.4	167.8	0	0	0	0	111.8	P699 T704 A705 N706	P699-S702 PolarHBondContact O-N 3.28Å; S702-T704 VanDerWaalsContact C-N 3.29Å; S702-T704 PolarHBondContact O-N 2.71Å; S702-A705 WeakPolarHBondContact O-CB 3.09Å; S702-A705 PolarHBondContact O-N 2.64Å; S702-N706 PolarHBondContact O-N 3.4Å; S702-N706 PolarHBondContact O-OD1 2.86Å
703	H	85.2	Confident	87.3	Confident	66 Å²	66	54.4 Å²	54.4	31%	0.306	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-35.5	-179.7	-158.7	82.3	0	0	0	112.6	P699 L707 S732	P699-H703 WeakPolarHBondContact O-CB 3.23Å; P699-H703 PolarHBondContact O-N 3.01Å; H703-L707 PolarHBondContact O-N 3.32Å; H703-S732 WeakPolarHBondContact NE2-CB 3.38Å; H703-S732 PolarHBondContact NE2-OG 2.7Å
704	T	86.7	Confident	87.5	Confident	65 Å²	65	53.1 Å²	53.1	40%	0.399	30%	0.297	S	S	.	.	H	α-helix	trans	-70.7	-34.1	174.2	-55	0	0	0	0	112.3	T700 I701 S702 L708	T700-T704 VanDerWaalsContact O-CB 3.28Å; T700-T704 WeakPolarHBondContact O-CB 3.42Å; T700-T704 PolarHBondContact O-N 2.97Å; T700-T704 VanDerWaalsContact O-N 3.11Å; T700-T704 PolarHBondContact O-OG1 2.88Å; I701-T704 PolarHBondContact O-N 2.99Å; S702-T704 VanDerWaalsContact C-N 3.29Å; S702-T704 PolarHBondContact O-N 2.71Å; T704-L708 HydrophobicContact CG2-CD1 4.17Å; T704-L708 WeakPolarHBondContact O-CB 3.47Å; T704-L708 WeakPolarHBondContact O-CG 3.45Å; T704-L708 PolarHBondContact O-N 3.34Å
705	A	88.1	Confident	87.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-71.1	-42.7	178.7	0	0	0	0	0	112.2	W613 F614 I701 S702 L708 F709	W613-A705 HydrophobicContact CH2-CB 3.46Å; W613-A705 VanDerWaalsContact CH2-CB 3.46Å; W613-A705 HydrophobicContact CZ3-CB 3.45Å; W613-A705 VanDerWaalsContact CZ3-CB 3.45Å; F614-A705 HydrophobicContact CE1-CB 3.87Å; I701-A705 VanDerWaalsContact O-CB 3.32Å; I701-A705 WeakPolarHBondContact O-CB 3.46Å; I701-A705 PolarHBondContact O-N 3.1Å; S702-A705 WeakPolarHBondContact O-CB 3.09Å; S702-A705 PolarHBondContact O-N 2.64Å; A705-L708 WeakPolarHBondContact O-CB 3.49Å; A705-L708 PolarHBondContact O-N 3.32Å; A705-F709 PolarHBondContact O-N 3.16Å
706	N	89.4	Confident	88.2	Confident	51 Å²	51	47.3 Å²	47.3	27%	0.273	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-45.4	176.3	-65.4	21.4	0	0	0	110	S702 L708 F709 D710	S702-N706 PolarHBondContact O-N 3.4Å; S702-N706 PolarHBondContact O-OD1 2.86Å; N706-L708 VanDerWaalsContact C-N 3.31Å; N706-L708 PolarHBondContact O-N 2.66Å; N706-F709 CarbonylContact O-C 3.22Å; N706-F709 WeakPolarHBondContact O-CA 3.39Å; N706-F709 WeakPolarHBondContact O-CB 3.35Å; N706-F709 PolarHBondContact O-N 2.89Å; N706-D710 PolarHBondContact O-N 3.22Å; N706-D710 VanDerWaalsContact O-OD2 3.09Å
707	L	90.9	Very high	88.5	Confident	31 Å²	31	43.8 Å²	43.8	16%	0.162	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-35.9	174.3	-175.3	64.7	0	0	0	113.3	H703 F709 D710 V711 F726 R729 V730 V733	H703-L707 PolarHBondContact O-N 3.32Å; L707-F709 VanDerWaalsContact C-N 3.3Å; L707-D710 WeakPolarHBondContact CA-OD2 3.35Å; L707-V711 HydrophobicContact CD1-CG2 4.48Å; L707-V711 WeakPolarHBondContact O-CB 3.4Å; L707-V711 VanDerWaalsContact O-CG2 3.26Å; L707-V711 WeakPolarHBondContact O-CG2 2.9Å; L707-V711 PolarHBondContact O-N 2.78Å; L707-V711 VanDerWaalsContact O-N 3.11Å; L707-F726 HydrophobicContact CD1-CD2 4.22Å; L707-F726 HydrophobicContact CD1-CE2 3.82Å; L707-R729 HydrophobicContact CD1-CB 4.41Å; L707-V730 HydrophobicContact CD1-CG2 4Å; L707-V733 HydrophobicContact CD2-CG2 3.8Å
708	L	92	Very high	88.9	Confident	26 Å²	26	38 Å²	38	14%	0.136	22%	0.216	C	C	.	.	H	α-helix	trans	-68.5	-28.2	172.5	-86.1	163.2	0	0	0	113.1	P635 V684 L688 T704 A705 N706 A712	P635-L708 HydrophobicContact CB-CD2 4.22Å; P635-L708 HydrophobicContact CG-CD2 4.07Å; V684-L708 HydrophobicContact CG1-CD1 3.83Å; L688-L708 HydrophobicContact CD1-CD1 3.7Å; T704-L708 HydrophobicContact CG2-CD1 4.17Å; T704-L708 WeakPolarHBondContact O-CB 3.47Å; T704-L708 WeakPolarHBondContact O-CG 3.45Å; T704-L708 PolarHBondContact O-N 3.34Å; A705-L708 WeakPolarHBondContact O-CB 3.49Å; A705-L708 PolarHBondContact O-N 3.32Å; N706-L708 VanDerWaalsContact C-N 3.31Å; N706-L708 PolarHBondContact O-N 2.66Å; L708-A712 VanDerWaalsContact O-CB 3.31Å; L708-A712 WeakPolarHBondContact O-CB 3.42Å; L708-A712 PolarHBondContact O-N 3.05Å
709	F	93.2	Very high	89.2	Confident	16 Å²	16	39.5 Å²	39.5	7%	0.07	23%	0.23	C	C	.	.	H	α-helix	trans	-74.4	-50.3	173.7	174.6	-92.3	0	0	0	110.7	L618 Y621 V622 L638 F676 A705 N706 L707 V711 A712 V713	L618-F709 HydrophobicContact CD1-CB 4.2Å; L618-F709 HydrophobicContact CD1-CD2 3.88Å; L618-F709 HydrophobicContact CD1-CG 4.27Å; L618-F709 HydrophobicContact CD2-CB 4.32Å; L618-F709 HydrophobicContact CD2-CD2 4.46Å; L618-F709 HydrophobicContact CD2-CG 4.26Å; Y621-F709 HydrophobicContact CD2-CE1 4.26Å; Y621-F709 HydrophobicContact CD2-CZ 4.42Å; Y621-F709 HydrophobicContact CG-CE1 4.01Å; Y621-F709 AromaticContact CG-CZ 3.93Å; Y621-F709 HydrophobicContact CG-CZ 3.93Å; V622-F709 HydrophobicContact CG2-CD2 4.15Å; V622-F709 HydrophobicContact CG2-CE2 3.54Å; V622-F709 HydrophobicContact CG2-CZ 4.48Å; L638-F709 HydrophobicContact CD1-CD2 4.02Å; L638-F709 HydrophobicContact CD1-CE2 3.64Å; L638-F709 HydrophobicContact CD1-CZ 4.29Å; F676-F709 HydrophobicContact CD2-CD2 4.09Å; F676-F709 HydrophobicContact CE2-CD2 4.07Å; A705-F709 PolarHBondContact O-N 3.16Å; N706-F709 CarbonylContact O-C 3.22Å; N706-F709 WeakPolarHBondContact O-CA 3.39Å; N706-F709 WeakPolarHBondContact O-CB 3.35Å; N706-F709 PolarHBondContact O-N 2.89Å; L707-F709 VanDerWaalsContact C-N 3.3Å; F709-V711 VanDerWaalsContact C-N 3.31Å; F709-V711 PolarHBondContact O-N 2.88Å; F709-A712 CarbonylContact O-C 3.55Å; F709-A712 WeakPolarHBondContact O-CA 3.21Å; F709-A712 WeakPolarHBondContact O-CB 3.22Å; F709-A712 PolarHBondContact O-N 3.02Å; F709-V713 HydrophobicContact CD1-CG2 4.08Å; F709-V713 HydrophobicContact CE1-CG2 3.57Å; F709-V713 HydrophobicContact CE2-CG2 4.31Å; F709-V713 HydrophobicContact CZ-CG2 3.68Å; F709-V713 WeakPolarHBondContact O-CG2 3.29Å; F709-V713 PolarHBondContact O-N 3.19Å
710	D	91.7	Very high	89.5	Confident	10 Å²	10	36.1 Å²	36.1	5%	0.053	21%	0.208	C	C	.	.	H	α-helix	trans	-55.9	-45.6	177.6	-50.7	-44.4	0	0	0	111.7	N706 L707 A712 V713 L714 F726 R729	N706-D710 PolarHBondContact O-N 3.22Å; N706-D710 VanDerWaalsContact O-OD2 3.09Å; L707-D710 WeakPolarHBondContact CA-OD2 3.35Å; D710-A712 PolarHBondContact O-N 2.82Å; D710-V713 WeakPolarHBondContact O-CB 3.38Å; D710-V713 PolarHBondContact O-N 2.82Å; D710-L714 PolarHBondContact O-N 3.02Å; D710-L714 VanDerWaalsContact O-N 3.12Å; D710-F726 HydrophobicContact CB-CD2 3.37Å; D710-F726 HydrophobicContact CB-CE2 3.76Å; D710-F726 HydrophobicContact CB-CG 4.25Å; D710-R729 VanDerWaalsContact CG-NH2 3.26Å; D710-R729 IonicContact OD1-CZ 3.46Å; D710-R729 IonicContact OD1-NE 2.66Å; D710-R729 IonicContact OD1-NH2 2.68Å; D710-R729 PolarHBondContact OD1-NH2 3.31Å; D710-R729 IonicContact OD2-CZ 3.74Å; D710-R729 IonicContact OD2-NE 2.78Å; D710-R729 PolarHBondContact OD2-NE 2.65Å; D710-R729 IonicContact OD2-NH2 3.72Å; D710-R729 PolarHBondContact OD2-NH2 2.87Å; D710-R729 VanDerWaalsContact OD2-NH2 3.13Å
711	V	92.7	Very high	89.5	Confident	65 Å²	65	42.7 Å²	42.7	39%	0.394	23%	0.231	S	C	.	.	H	α-helix	trans	-66.4	-27.1	176.3	172.1	0	0	0	0	111.7	L707 F709 R715 F726	L707-V711 HydrophobicContact CD1-CG2 4.48Å; L707-V711 WeakPolarHBondContact O-CB 3.4Å; L707-V711 VanDerWaalsContact O-CG2 3.26Å; L707-V711 WeakPolarHBondContact O-CG2 2.9Å; L707-V711 PolarHBondContact O-N 2.78Å; L707-V711 VanDerWaalsContact O-N 3.11Å; F709-V711 VanDerWaalsContact C-N 3.31Å; F709-V711 PolarHBondContact O-N 2.88Å; V711-R715 HydrophobicContact CG1-CG 4.27Å; V711-R715 WeakPolarHBondContact O-CB 3.46Å; V711-R715 WeakPolarHBondContact O-CG 3.32Å; V711-R715 PolarHBondContact O-N 2.91Å; V711-R715 VanDerWaalsContact O-N 3.11Å; V711-F726 HydrophobicContact CG2-CE2 4.21Å
712	A	93.3	Very high	89.7	Confident	2 Å²	2	46.6 Å²	46.6	2%	0.017	25%	0.252	C	S	.	.	H	α-helix	trans	-78.3	-32.1	174	0	0	0	0	0	113	L638 F676 L708 F709 D710 S716	L638-A712 HydrophobicContact CD1-CB 4.21Å; F676-A712 HydrophobicContact CE2-CB 3.97Å; L708-A712 VanDerWaalsContact O-CB 3.31Å; L708-A712 WeakPolarHBondContact O-CB 3.42Å; L708-A712 PolarHBondContact O-N 3.05Å; F709-A712 CarbonylContact O-C 3.55Å; F709-A712 WeakPolarHBondContact O-CA 3.21Å; F709-A712 WeakPolarHBondContact O-CB 3.22Å; F709-A712 PolarHBondContact O-N 3.02Å; D710-A712 PolarHBondContact O-N 2.82Å; A712-S716 VanDerWaalsContact O-CB 3.24Å; A712-S716 WeakPolarHBondContact O-CB 3.25Å; A712-S716 PolarHBondContact O-N 2.78Å; A712-S716 VanDerWaalsContact O-N 3.09Å; A712-S716 PolarHBondContact O-OG 2.96Å
713	V	92.7	Very high	89.8	Confident	13 Å²	13	48.4 Å²	48.4	8%	0.079	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-60.2	171.2	171.2	0	0	0	0	109.1	L638 F709 D710 R715 S716 G717 F718 S719 V720	L638-V713 HydrophobicContact CD1-CG2 4.06Å; L638-V713 HydrophobicContact CD2-CG2 4.01Å; F709-V713 HydrophobicContact CD1-CG2 4.08Å; F709-V713 HydrophobicContact CE1-CG2 3.57Å; F709-V713 HydrophobicContact CE2-CG2 4.31Å; F709-V713 HydrophobicContact CZ-CG2 3.68Å; F709-V713 WeakPolarHBondContact O-CG2 3.29Å; F709-V713 PolarHBondContact O-N 3.19Å; D710-V713 WeakPolarHBondContact O-CB 3.38Å; D710-V713 PolarHBondContact O-N 2.82Å; V713-R715 VanDerWaalsContact C-N 3.33Å; V713-R715 PolarHBondContact O-N 2.67Å; V713-S716 PolarHBondContact O-N 2.69Å; V713-S716 VanDerWaalsContact O-N 3.11Å; V713-G717 PolarHBondContact O-N 3.25Å; V713-F718 HydrophobicContact CG1-CB 3.76Å; V713-F718 WeakPolarHBondContact CG1-O 3.24Å; V713-F718 PolarHBondContact O-N 3.13Å; V713-F718 VanDerWaalsContact O-N 3.16Å; V713-S719 VanDerWaalsContact CG1-O 3.28Å; V713-S719 WeakPolarHBondContact CG1-O 3.23Å; V713-V720 HydrophobicContact CG1-CG2 4Å
714	L	91.3	Very high	90.2	Very high	82 Å²	82	50.1 Å²	50.1	43%	0.429	28%	0.278	S	S	.	.	H	α-helix	trans	-55.2	-43.4	177.7	-72.8	168.1	0	0	0	113	D710 S716 G717 V720 F726	D710-L714 PolarHBondContact O-N 3.02Å; D710-L714 VanDerWaalsContact O-N 3.12Å; L714-S716 VanDerWaalsContact C-N 3.29Å; L714-S716 PolarHBondContact O-N 3.07Å; L714-G717 PolarHBondContact O-N 2.9Å; L714-V720 HydrophobicContact CD1-CG2 4.2Å; L714-V720 HydrophobicContact CD2-CG2 3.52Å; L714-V720 HydrophobicContact CG-CG2 3.53Å; L714-F726 HydrophobicContact CD1-CD1 4.4Å; L714-F726 HydrophobicContact CD1-CE1 3.72Å; L714-F726 HydrophobicContact CD1-CE2 4.44Å; L714-F726 HydrophobicContact CD1-CZ 3.73Å
715	R	91	Very high	90.2	Very high	64 Å²	64	48.1 Å²	48.1	24%	0.242	27%	0.268	C	S	.	.	H	α-helix	trans	-78.8	-10.3	-176.9	-69	-70.6	-63.3	138.4	7.3	114.3	S543 P545 V711 V713	S543-R715 PolarHBondContact O-NH2 2.82Å; S543-R715 PolarHBondContact OG-NH1 2.85Å; S543-R715 VanDerWaalsContact OG-NH1 3.08Å; P545-R715 WeakPolarHBondContact CD-O 3.36Å; P545-R715 WeakPolarHBondContact CG-O 3.14Å; V711-R715 HydrophobicContact CG1-CG 4.27Å; V711-R715 WeakPolarHBondContact O-CB 3.46Å; V711-R715 WeakPolarHBondContact O-CG 3.32Å; V711-R715 PolarHBondContact O-N 2.91Å; V711-R715 VanDerWaalsContact O-N 3.11Å; V713-R715 VanDerWaalsContact C-N 3.33Å; V713-R715 PolarHBondContact O-N 2.67Å
716	S	91.1	Very high	90.4	Very high	10 Å²	10	49.8 Å²	49.8	7%	0.07	28%	0.275	C	S	.	.	H	α-helix	trans	-95.4	-3.6	171	-78.3	0	0	0	0	113.5	F546 L638 A712 V713 L714	F546-S716 WeakPolarHBondContact CZ-OG 3.38Å; L638-S716 PolarHBondContact N-OG 2.82Å; L638-S716 WeakPolarHBondContact O-CB 3.21Å; L638-S716 PolarHBondContact O-OG 3.09Å; A712-S716 VanDerWaalsContact O-CB 3.24Å; A712-S716 WeakPolarHBondContact O-CB 3.25Å; A712-S716 PolarHBondContact O-N 2.78Å; A712-S716 VanDerWaalsContact O-N 3.09Å; A712-S716 PolarHBondContact O-OG 2.96Å; V713-S716 PolarHBondContact O-N 2.69Å; V713-S716 VanDerWaalsContact O-N 3.11Å; L714-S716 VanDerWaalsContact C-N 3.29Å; L714-S716 PolarHBondContact O-N 3.07Å
717	G	87.7	Confident	90.4	Very high	17 Å²	17	49.7 Å²	49.7	18%	0.175	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	25.1	-179.5	0	0	0	0	0	114.1	G647 V713 L714	G647-G717 CarbonylContact C-O 3.25Å; G647-G717 VanDerWaalsContact CA-O 3.26Å; G647-G717 WeakPolarHBondContact CA-O 3.42Å; G647-G717 VanDerWaalsContact O-O 3.06Å; V713-G717 PolarHBondContact O-N 3.25Å; L714-G717 PolarHBondContact O-N 2.9Å
718	F	91.1	Very high	90.4	Very high	12 Å²	12	54.3 Å²	54.3	5%	0.053	30%	0.302	C	S	.	.			trans	-102.3	146.5	174.3	-66.5	-75.6	0	0	0	110.8	L638 A640 E650 K674 V713	L638-F718 HydrophobicContact CB-CD2 3.86Å; L638-F718 HydrophobicContact CB-CE2 3.73Å; L638-F718 HydrophobicContact CD2-CD2 3.97Å; L638-F718 HydrophobicContact CD2-CE2 4.23Å; A640-F718 HydrophobicContact CB-CZ 4.46Å; E650-F718 WeakPolarHBondContact OE2-CD1 3.39Å; E650-F718 WeakPolarHBondContact OE2-CE1 3.34Å; K674-F718 HydrophobicContact CD-CD1 4.1Å; K674-F718 HydrophobicContact CD-CE1 3.79Å; K674-F718 HydrophobicContact CD-CZ 4.03Å; V713-F718 HydrophobicContact CG1-CB 3.76Å; V713-F718 WeakPolarHBondContact CG1-O 3.24Å; V713-F718 PolarHBondContact O-N 3.13Å; V713-F718 VanDerWaalsContact O-N 3.16Å
719	S	87.8	Confident	90.3	Very high	84 Å²	84	55.6 Å²	55.6	59%	0.587	31%	0.305	S	S	*	.			trans	-68.8	150.3	173.5	-59	0	0	0	0	111.9	V713	V713-S719 VanDerWaalsContact CG1-O 3.28Å; V713-S719 WeakPolarHBondContact CG1-O 3.23Å
720	V	88.5	Confident	90.1	Very high	32 Å²	32	56.8 Å²	56.8	19%	0.194	31%	0.314	C	S	.	.			trans	-97.1	108.5	-179	179.1	0	0	0	0	109.3	V713 L714 N722 F726	V713-V720 HydrophobicContact CG1-CG2 4Å; L714-V720 HydrophobicContact CD1-CG2 4.2Å; L714-V720 HydrophobicContact CD2-CG2 3.52Å; L714-V720 HydrophobicContact CG-CG2 3.53Å; V720-N722 PolarHBondContact O-N 2.87Å; V720-F726 HydrophobicContact CG1-CB 4.21Å
721	K	83.8	Confident	90	Very high	197 Å²	197	59.6 Å²	59.6	86%	0.857	33%	0.327	S	S	*	.	S	Bend	trans	-51.2	-21.7	-176.8	-77.6	-164.9	170.2	-105.1	0	116.3
722	N	88.5	Confident	89.6	Confident	87 Å²	87	57.2 Å²	57.2	47%	0.465	31%	0.313	S	S	.	.			trans	-146.4	99.8	169.4	-172	-56.9	0	0	0	109.4	V720 V724 A725 F726	V720-N722 PolarHBondContact O-N 2.87Å; N722-V724 PolarHBondContact OD1-N 2.78Å; N722-A725 HydrophobicContact CB-CB 4.29Å; N722-A725 VanDerWaalsContact OD1-CB 3.25Å; N722-A725 WeakPolarHBondContact OD1-CB 3.23Å; N722-A725 PolarHBondContact OD1-N 3.44Å; N722-F726 PolarHBondContact O-N 3.18Å
723	P	89.2	Confident	89.3	Confident	87 Å²	87	59.8 Å²	59.8	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-71	-32.6	-176.4	27.4	-33.3	0	0	0	112.3	F726 A727	P723-F726 WeakPolarHBondContact O-CB 3.46Å; P723-F726 PolarHBondContact O-N 2.96Å; P723-A727 PolarHBondContact O-N 2.85Å
724	V	92.2	Very high	89.1	Confident	101 Å²	101	62.5 Å²	62.5	61%	0.612	35%	0.345	S	S	*	.	H	α-helix	trans	-61.7	-50.1	179	-177.1	0	0	0	0	110.7	N722 F726 A727 E728	N722-V724 PolarHBondContact OD1-N 2.78Å; V724-F726 VanDerWaalsContact C-N 3.26Å; V724-F726 PolarHBondContact O-N 3.47Å; V724-A727 CarbonylContact O-C 3.02Å; V724-A727 WeakPolarHBondContact O-CA 3.19Å; V724-A727 WeakPolarHBondContact O-CB 3.19Å; V724-A727 PolarHBondContact O-N 2.92Å; V724-E728 PolarHBondContact O-N 2.78Å
725	A	88.6	Confident	88.9	Confident	24 Å²	24	62.5 Å²	62.5	20%	0.198	34%	0.341	C	S	.	.	H	α-helix	trans	-65.8	-27.8	179.3	0	0	0	0	0	112.5	N722 R729	N722-A725 HydrophobicContact CB-CB 4.29Å; N722-A725 VanDerWaalsContact OD1-CB 3.25Å; N722-A725 WeakPolarHBondContact OD1-CB 3.23Å; N722-A725 PolarHBondContact OD1-N 3.44Å; A725-R729 VanDerWaalsContact C-NH1 3.26Å; A725-R729 VanDerWaalsContact O-CG 3.32Å; A725-R729 WeakPolarHBondContact O-CG 3.41Å; A725-R729 VanDerWaalsContact O-CZ 3.26Å; A725-R729 PolarHBondContact O-N 3.21Å; A725-R729 PolarHBondContact O-NH1 3.3Å
726	F	91.1	Very high	88.5	Confident	35 Å²	35	64.6 Å²	64.6	15%	0.154	35%	0.352	C	S	.	.	H	α-helix	trans	-69.7	-45.6	168.3	166.9	-113.4	0	0	0	111.4	L707 D710 V711 L714 V720 N722 P723 V724 E728 R729 V730	L707-F726 HydrophobicContact CD1-CD2 4.22Å; L707-F726 HydrophobicContact CD1-CE2 3.82Å; D710-F726 HydrophobicContact CB-CD2 3.37Å; D710-F726 HydrophobicContact CB-CE2 3.76Å; D710-F726 HydrophobicContact CB-CG 4.25Å; V711-F726 HydrophobicContact CG2-CE2 4.21Å; L714-F726 HydrophobicContact CD1-CD1 4.4Å; L714-F726 HydrophobicContact CD1-CE1 3.72Å; L714-F726 HydrophobicContact CD1-CE2 4.44Å; L714-F726 HydrophobicContact CD1-CZ 3.73Å; V720-F726 HydrophobicContact CG1-CB 4.21Å; N722-F726 PolarHBondContact O-N 3.18Å; P723-F726 WeakPolarHBondContact O-CB 3.46Å; P723-F726 PolarHBondContact O-N 2.96Å; V724-F726 VanDerWaalsContact C-N 3.26Å; V724-F726 PolarHBondContact O-N 3.47Å; F726-E728 VanDerWaalsContact C-N 3.32Å; F726-E728 PolarHBondContact O-N 2.85Å; F726-R729 WeakPolarHBondContact O-CB 3.4Å; F726-R729 PolarHBondContact O-N 2.71Å; F726-R729 VanDerWaalsContact O-N 3.09Å; F726-V730 HydrophobicContact CD2-CG2 4.22Å; F726-V730 HydrophobicContact CE1-CG2 4.31Å; F726-V730 HydrophobicContact CE2-CG2 3.74Å; F726-V730 HydrophobicContact CZ-CG2 3.79Å; F726-V730 WeakPolarHBondContact O-CG2 3.44Å; F726-V730 PolarHBondContact O-N 2.73Å
727	A	90.9	Very high	88.4	Confident	48 Å²	48	68.5 Å²	68.5	40%	0.397	38%	0.379	S	S	.	.	H	α-helix	trans	-58.9	-41.4	175.2	0	0	0	0	0	111.8	P723 V724 R729 V730 E731	P723-A727 PolarHBondContact O-N 2.85Å; V724-A727 CarbonylContact O-C 3.02Å; V724-A727 WeakPolarHBondContact O-CA 3.19Å; V724-A727 WeakPolarHBondContact O-CB 3.19Å; V724-A727 PolarHBondContact O-N 2.92Å; A727-R729 PolarHBondContact O-N 3.25Å; A727-V730 CarbonylContact O-C 3.54Å; A727-V730 PolarHBondContact O-N 2.88Å; A727-E731 PolarHBondContact O-N 2.96Å
728	E	90.5	Very high	88.4	Confident	128 Å²	128	73.1 Å²	73.1	60%	0.598	40%	0.399	S	S	*	.	H	α-helix	trans	-60	-40.8	172.3	-72.6	-157.6	125.1	0	0	113	V724 F726 V730 E731 S732	V724-E728 PolarHBondContact O-N 2.78Å; F726-E728 VanDerWaalsContact C-N 3.32Å; F726-E728 PolarHBondContact O-N 2.85Å; E728-V730 VanDerWaalsContact C-N 3.33Å; E728-E731 PolarHBondContact O-N 3.4Å; E728-S732 WeakPolarHBondContact O-CB 3.4Å; E728-S732 PolarHBondContact O-N 3.46Å
729	R	89.1	Confident	88.1	Confident	53 Å²	53	78.7 Å²	78.7	20%	0.2	43%	0.43	C	S	.	.	H	α-helix	trans	-65.9	-36.7	176	-73.5	-174.1	-68.1	-88.1	20.9	111.4	L707 D710 A725 F726 A727 V733	L707-R729 HydrophobicContact CD1-CB 4.41Å; D710-R729 VanDerWaalsContact CG-NH2 3.26Å; D710-R729 IonicContact OD1-CZ 3.46Å; D710-R729 IonicContact OD1-NE 2.66Å; D710-R729 IonicContact OD1-NH2 2.68Å; D710-R729 PolarHBondContact OD1-NH2 3.31Å; D710-R729 IonicContact OD2-CZ 3.74Å; D710-R729 IonicContact OD2-NE 2.78Å; D710-R729 PolarHBondContact OD2-NE 2.65Å; D710-R729 IonicContact OD2-NH2 3.72Å; D710-R729 PolarHBondContact OD2-NH2 2.87Å; D710-R729 VanDerWaalsContact OD2-NH2 3.13Å; A725-R729 VanDerWaalsContact C-NH1 3.26Å; A725-R729 VanDerWaalsContact O-CG 3.32Å; A725-R729 WeakPolarHBondContact O-CG 3.41Å; A725-R729 VanDerWaalsContact O-CZ 3.26Å; A725-R729 PolarHBondContact O-N 3.21Å; A725-R729 PolarHBondContact O-NH1 3.3Å; F726-R729 WeakPolarHBondContact O-CB 3.4Å; F726-R729 PolarHBondContact O-N 2.71Å; F726-R729 VanDerWaalsContact O-N 3.09Å; A727-R729 PolarHBondContact O-N 3.25Å; R729-V733 WeakPolarHBondContact O-CG2 3.38Å; R729-V733 PolarHBondContact O-N 2.76Å; R729-V733 VanDerWaalsContact O-N 3.15Å
730	V	90	Very high	87.7	Confident	42 Å²	42	78 Å²	78	26%	0.255	42%	0.419	S	S	.	.	H	α-helix	trans	-67.9	-48.5	172.1	176	0	0	0	0	111	L707 F726 A727 E728 S732 V733 V734	L707-V730 HydrophobicContact CD1-CG2 4Å; F726-V730 HydrophobicContact CD2-CG2 4.22Å; F726-V730 HydrophobicContact CE1-CG2 4.31Å; F726-V730 HydrophobicContact CE2-CG2 3.74Å; F726-V730 HydrophobicContact CZ-CG2 3.79Å; F726-V730 WeakPolarHBondContact O-CG2 3.44Å; F726-V730 PolarHBondContact O-N 2.73Å; A727-V730 CarbonylContact O-C 3.54Å; A727-V730 PolarHBondContact O-N 2.88Å; E728-V730 VanDerWaalsContact C-N 3.33Å; V730-S732 VanDerWaalsContact C-N 3.32Å; V730-S732 PolarHBondContact O-N 2.89Å; V730-V733 PolarHBondContact O-N 2.72Å; V730-V733 VanDerWaalsContact O-N 3.15Å; V730-V734 HydrophobicContact CG1-CG2 4.39Å; V730-V734 WeakPolarHBondContact O-CG2 3.43Å; V730-V734 PolarHBondContact O-N 3.01Å
731	E	88.5	Confident	86.8	Confident	68 Å²	68	80.8 Å²	80.8	32%	0.318	43%	0.433	S	S	.	.	H	α-helix	trans	-55	-45.9	174.3	-84	-158.6	-167.2	0	0	111.4	A727 E728 V733 V734 K735 R837	A727-E731 PolarHBondContact O-N 2.96Å; E728-E731 PolarHBondContact O-N 3.4Å; E731-V733 VanDerWaalsContact C-N 3.32Å; E731-V733 PolarHBondContact O-N 3.13Å; E731-V734 PolarHBondContact O-N 3.23Å; E731-V734 VanDerWaalsContact O-N 3.14Å; E731-K735 WeakPolarHBondContact O-CB 3.46Å; E731-K735 WeakPolarHBondContact O-CD 3.38Å; E731-K735 VanDerWaalsContact O-CG 3.27Å; E731-K735 WeakPolarHBondContact O-CG 3.28Å; E731-K735 PolarHBondContact O-N 3.39Å; E731-K735 WeakPolarHBondContact OE2-CE 3.21Å; E731-K735 IonicContact OE2-NZ 3.8Å; E731-K735 PolarHBondContact OE2-NZ 2.83Å; E731-R837 IonicContact OE1-NH1 2.74Å; E731-R837 PolarHBondContact OE1-NH1 3.11Å
732	S	85.4	Confident	86	Confident	15 Å²	15	76.8 Å²	76.8	11%	0.105	42%	0.417	C	S	.	.	H	α-helix	trans	-57.1	-43.8	177.2	169.5	0	0	0	0	111.7	H703 E728 V730 K736 Q742	H703-S732 WeakPolarHBondContact NE2-CB 3.38Å; H703-S732 PolarHBondContact NE2-OG 2.7Å; E728-S732 WeakPolarHBondContact O-CB 3.4Å; E728-S732 PolarHBondContact O-N 3.46Å; V730-S732 VanDerWaalsContact C-N 3.32Å; V730-S732 PolarHBondContact O-N 2.89Å; S732-K736 WeakPolarHBondContact O-CB 3.32Å; S732-K736 PolarHBondContact O-N 2.89Å; S732-K736 VanDerWaalsContact O-N 3.07Å; S732-Q742 PolarHBondContact OG-NE2 3.38Å
733	V	86.5	Confident	84.9	Confident	56 Å²	56	78.9 Å²	78.9	34%	0.339	43%	0.428	S	S	.	.	H	α-helix	trans	-69.9	-37	174.7	169.6	0	0	0	0	112.1	L707 R729 V730 E731 S737	L707-V733 HydrophobicContact CD2-CG2 3.8Å; R729-V733 WeakPolarHBondContact O-CG2 3.38Å; R729-V733 PolarHBondContact O-N 2.76Å; R729-V733 VanDerWaalsContact O-N 3.15Å; V730-V733 PolarHBondContact O-N 2.72Å; V730-V733 VanDerWaalsContact O-N 3.15Å; E731-V733 VanDerWaalsContact C-N 3.32Å; E731-V733 PolarHBondContact O-N 3.13Å; V733-S737 VanDerWaalsContact O-CB 3.23Å; V733-S737 WeakPolarHBondContact O-CB 3.41Å; V733-S737 PolarHBondContact O-N 2.87Å; V733-S737 PolarHBondContact O-OG 3.21Å
734	V	87.5	Confident	83.7	Confident	70 Å²	70	77.5 Å²	77.5	42%	0.424	41%	0.414	S	S	.	.	H	α-helix	trans	-66.7	-50.6	176.2	171.1	0	0	0	0	111.2	V730 E731 K736 S737 L738	V730-V734 HydrophobicContact CG1-CG2 4.39Å; V730-V734 WeakPolarHBondContact O-CG2 3.43Å; V730-V734 PolarHBondContact O-N 3.01Å; E731-V734 PolarHBondContact O-N 3.23Å; E731-V734 VanDerWaalsContact O-N 3.14Å; V734-K736 VanDerWaalsContact C-N 3.31Å; V734-K736 PolarHBondContact O-N 2.73Å; V734-S737 PolarHBondContact O-N 2.96Å; V734-L738 HydrophobicContact CG1-CD1 3.88Å; V734-L738 WeakPolarHBondContact O-CG 3.32Å; V734-L738 PolarHBondContact O-N 3.06Å
735	K	87.3	Confident	82.3	Confident	83 Å²	83	79 Å²	79	36%	0.361	42%	0.418	S	S	.	.	H	α-helix	trans	-49.1	-53.4	173.2	-74.9	160.1	172	162.5	0	110.2	E731 S737 L738 D739 I740	E731-K735 WeakPolarHBondContact O-CB 3.46Å; E731-K735 WeakPolarHBondContact O-CD 3.38Å; E731-K735 VanDerWaalsContact O-CG 3.27Å; E731-K735 WeakPolarHBondContact O-CG 3.28Å; E731-K735 PolarHBondContact O-N 3.39Å; E731-K735 WeakPolarHBondContact OE2-CE 3.21Å; E731-K735 IonicContact OE2-NZ 3.8Å; E731-K735 PolarHBondContact OE2-NZ 2.83Å; K735-S737 VanDerWaalsContact C-N 3.33Å; K735-S737 PolarHBondContact O-N 2.82Å; K735-L738 CarbonylContact O-C 3.52Å; K735-L738 PolarHBondContact O-N 2.74Å; K735-L738 VanDerWaalsContact O-N 3.14Å; K735-D739 PolarHBondContact O-N 2.93Å; K735-I740 HydrophobicContact CB-CB 4.34Å; K735-I740 WeakPolarHBondContact O-CB 3.24Å; K735-I740 PolarHBondContact O-N 3.36Å
736	K	84.2	Confident	81.1	Confident	107 Å²	107	85.8 Å²	85.8	47%	0.465	45%	0.45	S	S	.	.	H	α-helix	trans	-66.7	-26.6	178.3	-169.1	169.6	-172.2	164.6	0	114.7	S732 V734	S732-K736 WeakPolarHBondContact O-CB 3.32Å; S732-K736 PolarHBondContact O-N 2.89Å; S732-K736 VanDerWaalsContact O-N 3.07Å; V734-K736 VanDerWaalsContact C-N 3.31Å; V734-K736 PolarHBondContact O-N 2.73Å
737	S	87.4	Confident	79.7	Confident	92 Å²	92	88.7 Å²	88.7	64%	0.643	47%	0.467	S	S	*	.	H	α-helix	trans	-80.2	-18.9	175.2	-61.4	0	0	0	0	113	V733 V734 K735	V733-S737 VanDerWaalsContact O-CB 3.23Å; V733-S737 WeakPolarHBondContact O-CB 3.41Å; V733-S737 PolarHBondContact O-N 2.87Å; V733-S737 PolarHBondContact O-OG 3.21Å; V734-S737 PolarHBondContact O-N 2.96Å; K735-S737 VanDerWaalsContact C-N 3.33Å; K735-S737 PolarHBondContact O-N 2.82Å
738	L	89.1	Confident	77.8	Confident	114 Å²	114	93 Å²	93	60%	0.597	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	7.7	174.4	-64.6	172.8	0	0	0	112.6	V734 K735 I740	V734-L738 HydrophobicContact CG1-CD1 3.88Å; V734-L738 WeakPolarHBondContact O-CG 3.32Å; V734-L738 PolarHBondContact O-N 3.06Å; K735-L738 CarbonylContact O-C 3.52Å; K735-L738 PolarHBondContact O-N 2.74Å; K735-L738 VanDerWaalsContact O-N 3.14Å; L738-I740 HydrophobicContact CB-CD1 3.86Å; L738-I740 HydrophobicContact CB-CG1 3.9Å; L738-I740 HydrophobicContact CD1-CD1 4.05Å; L738-I740 PolarHBondContact O-N 3.47Å
739	D	84.7	Confident	75.9	Confident	129 Å²	129	90.7 Å²	90.7	69%	0.69	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	17.2	-171.6	-71.1	-44.4	0	0	0	114.8	K735 W799	K735-D739 PolarHBondContact O-N 2.93Å; D739-W799 HydrophobicContact CB-CH2 4.16Å; D739-W799 WeakPolarHBondContact O-CH2 3.49Å; D739-W799 WeakPolarHBondContact O-CZ3 3.25Å
740	I	78.2	Confident	73.7	Confident	70 Å²	70	93.1 Å²	93.1	36%	0.359	49%	0.491	S	S	.	.			trans	-71.4	133.2	174.2	-55.7	170.1	0	0	0	108.6	K735 L738 E744	K735-I740 HydrophobicContact CB-CB 4.34Å; K735-I740 WeakPolarHBondContact O-CB 3.24Å; K735-I740 PolarHBondContact O-N 3.36Å; L738-I740 HydrophobicContact CB-CD1 3.86Å; L738-I740 HydrophobicContact CB-CG1 3.9Å; L738-I740 HydrophobicContact CD1-CD1 4.05Å; L738-I740 PolarHBondContact O-N 3.47Å; I740-E744 HydrophobicContact CG2-CB 3.96Å; I740-E744 HydrophobicContact CG2-CG 4.4Å
741	D	70	Confident	71.2	Confident	91 Å²	91	94.9 Å²	94.9	49%	0.487	50%	0.497	S	S	.	.			trans	-67.3	140.5	179.3	-163.5	-33.4	0	0	0	110.2	N743 E744	D741-N743 PolarHBondContact O-N 3.27Å; D741-N743 VanDerWaalsContact O-N 3.13Å; D741-N743 PolarHBondContact OD1-N 3.4Å; D741-N743 PolarHBondContact OD1-ND2 2.89Å; D741-N743 VanDerWaalsContact OD1-ND2 3.13Å; D741-E744 HydrophobicContact CB-CB 4.09Å; D741-E744 PolarHBondContact N-OE2 3.45Å; D741-E744 VanDerWaalsContact O-CB 3.27Å; D741-E744 WeakPolarHBondContact O-CB 3.07Å; D741-E744 PolarHBondContact O-N 2.92Å
742	Q	66.3	Low	68.7	Low	112 Å²	112	97.7 Å²	97.7	52%	0.523	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.1	175.2	-69.6	-178.8	-62.6	0	0	112.3	S732	S732-Q742 PolarHBondContact OG-NE2 3.38Å
743	N	66.1	Low	66.3	Low	132 Å²	132	102.5 Å²	102.5	71%	0.706	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	13.9	173.9	-49.1	-89.3	0	0	0	112.8	D741 L745	D741-N743 PolarHBondContact O-N 3.27Å; D741-N743 VanDerWaalsContact O-N 3.13Å; D741-N743 PolarHBondContact OD1-N 3.4Å; D741-N743 PolarHBondContact OD1-ND2 2.89Å; D741-N743 VanDerWaalsContact OD1-ND2 3.13Å; N743-L745 PolarHBondContact O-N 3.47Å
744	E	65.1	Low	63.5	Low	57 Å²	57	108.2 Å²	108.2	27%	0.266	57%	0.566	S	S	.	*			trans	-72.7	92.2	176.9	-157.5	122	-127.9	0	0	109.2	I740 D741 N798 W799	I740-E744 HydrophobicContact CG2-CB 3.96Å; I740-E744 HydrophobicContact CG2-CG 4.4Å; D741-E744 HydrophobicContact CB-CB 4.09Å; D741-E744 PolarHBondContact N-OE2 3.45Å; D741-E744 VanDerWaalsContact O-CB 3.27Å; D741-E744 WeakPolarHBondContact O-CB 3.07Å; D741-E744 PolarHBondContact O-N 2.92Å; E744-N798 VanDerWaalsContact CG-OD1 3.3Å; E744-N798 WeakPolarHBondContact CG-OD1 3.34Å; E744-N798 PolarHBondContact OE1-OD1 3.02Å; E744-W799 VanDerWaalsContact OE1-CB 3.22Å; E744-W799 WeakPolarHBondContact OE1-CB 3.43Å; E744-W799 PolarHBondContact OE1-N 2.98Å
745	L	61.6	Low	60.9	Low	133 Å²	133	109.3 Å²	109.3	70%	0.696	58%	0.577	S	S	*	*			trans	-53.5	145.1	179.9	-68	168.6	0	0	0	111.2	N743 D747 N798	N743-L745 PolarHBondContact O-N 3.47Å; L745-D747 PolarHBondContact O-N 2.8Å; L745-N798 PolarHBondContact O-ND2 2.68Å
746	L	63.8	Low	58.1	Low	167 Å²	167	112.8 Å²	112.8	87%	0.874	59%	0.594	S	S	*	*			trans	-54.7	135.5	167.4	-67.5	168.7	0	0	0	109.2	E748	L746-E748 PolarHBondContact O-N 2.88Å
747	D	61.7	Low	55.6	Low	95 Å²	95	115.3 Å²	115.3	51%	0.508	61%	0.605	S	S	.	*			trans	-64.5	107.7	169.8	-94.1	-11.6	0	0	0	108	L745 E749 N798 T800	L745-D747 PolarHBondContact O-N 2.8Å; D747-E749 PolarHBondContact O-N 2.79Å; D747-N798 PolarHBondContact OD1-ND2 3.44Å; D747-T800 WeakPolarHBondContact OD2-CG2 3.35Å
748	E	51.5	Low	52.8	Low	139 Å²	139	115.7 Å²	115.7	65%	0.65	61%	0.608	S	S	*	*			trans	-42.9	123.3	175.3	-70.6	177	161.8	0	0	110.5	L746 P750	L746-E748 PolarHBondContact O-N 2.88Å; E748-P750 WeakPolarHBondContact O-CD 3.16Å; E748-P750 VanDerWaalsContact O-N 3.13Å
749	E	50.7	Low	50	Low	80 Å²	80	116.2 Å²	116.2	37%	0.374	62%	0.615	S	S	.	*			trans	-58.8	121.9	-177.2	-100.2	-138.3	-139	0	0	109.7	D747 E751 R838 G841	D747-E749 PolarHBondContact O-N 2.79Å; E749-E751 PolarHBondContact O-N 2.72Å; E749-E751 VanDerWaalsContact O-N 3.09Å; E749-R838 IonicContact OE1-CZ 3.35Å; E749-R838 IonicContact OE1-NE 2.75Å; E749-R838 PolarHBondContact OE1-NE 3Å; E749-R838 IonicContact OE1-NH2 2.82Å; E749-R838 PolarHBondContact OE1-NH2 2.75Å; E749-R838 IonicContact OE2-NH2 3.68Å; E749-R838 PolarHBondContact OE2-NH2 2.95Å; E749-G841 WeakPolarHBondContact CB-O 3.31Å; E749-G841 VanDerWaalsContact CD-O 3.26Å; E749-G841 WeakPolarHBondContact CG-O 3.31Å
750	P	42.2	Very low	47.2	Very low	103 Å²	103	115.3 Å²	115.3	67%	0.669	62%	0.615	S	S	*	*			trans	-77	107.8	-161.2	27.6	-35.3	0	0	0	111.6	E748 T752	E748-P750 WeakPolarHBondContact O-CD 3.16Å; E748-P750 VanDerWaalsContact O-N 3.13Å; P750-T752 PolarHBondContact O-N 2.81Å
751	E	36.7	Very low	45	Very low	80 Å²	80	119.4 Å²	119.4	37%	0.374	64%	0.638	S	S	.	*			trans	-42.8	121.9	179.2	-133.2	-173.9	-177	0	0	111.9	E749 D753 S844 R845 I846	E749-E751 PolarHBondContact O-N 2.72Å; E749-E751 VanDerWaalsContact O-N 3.09Å; E751-D753 PolarHBondContact O-N 3.34Å; E751-S844 WeakPolarHBondContact CG-O 3.25Å; E751-S844 VanDerWaalsContact OE1-C 3.24Å; E751-R845 PolarHBondContact OE1-N 3.36Å; E751-I846 PolarHBondContact OE1-N 3.1Å; E751-I846 PolarHBondContact OE2-N 3.07Å; E751-I846 VanDerWaalsContact OE2-N 3.13Å
752	T	36.1	Very low	43	Very low	127 Å²	127	123.7 Å²	123.7	78%	0.779	66%	0.655	S	S	*	*			trans	-85.2	57.6	-177	52	0	0	0	0	112.7	P750 E754	P750-T752 PolarHBondContact O-N 2.81Å; T752-E754 PolarHBondContact O-N 3.4Å
753	D	35	Very low	41.2	Very low	115 Å²	115	124.2 Å²	124.2	62%	0.615	67%	0.665	S	S	*	*			trans	-58.1	102.2	-179.5	-174.4	13.9	0	0	0	112.3	E751 S755	E751-D753 PolarHBondContact O-N 3.34Å; D753-S755 VanDerWaalsContact C-N 3.28Å; D753-S755 PolarHBondContact O-N 2.99Å
754	E	28.8	Very low	39.4	Very low	176 Å²	176	124.9 Å²	124.9	82%	0.822	67%	0.669	S	S	*	*			trans	-77.9	54.2	-170.2	-122	-146.4	176.2	0	0	113.7	T752	T752-E754 PolarHBondContact O-N 3.4Å
755	S	31.9	Very low	37.5	Very low	93 Å²	93	130.5 Å²	130.5	65%	0.65	69%	0.692	S	S	*	*			trans	-143.5	106	165.6	78.9	0	0	0	0	119.2	D753	D753-S755 VanDerWaalsContact C-N 3.28Å; D753-S755 PolarHBondContact O-N 2.99Å
756	E	30	Very low	35.7	Very low	157 Å²	157	132.1 Å²	132.1	73%	0.734	70%	0.696	S	S	*	*			trans	-17.9	120.7	163.5	-59.5	-178.2	155.4	0	0	119
757	K	31.5	Very low	34	Very low	160 Å²	160	128.1 Å²	128.1	70%	0.696	68%	0.682	S	S	*	*				177.5	100.9	109.7	-93.5	151.4	-145.2	76.1	0	118.3
758	S	27.8	Very low	32.3	Very low	99 Å²	99	129.8 Å²	129.8	69%	0.692	69%	0.69	S	S	*	*				63.7	116	121.8	70.8	0	0	0	0	123.6
759	V	29.8	Very low	31.2	Very low	125 Å²	125	126.1 Å²	126.1	76%	0.758	68%	0.68	S	S	*	*				84.7	95	121.5	176.3	0	0	0	0	119.6
760	T	27.4	Very low	30.2	Very low	111 Å²	111	129.3 Å²	129.3	68%	0.681	70%	0.699	S	S	*	*			trans	56.2	127.1	133.3	68	0	0	0	0	122.2
761	D	32	Very low	29.4	Very low	156 Å²	156	133 Å²	133	83%	0.834	71%	0.708	S	S	*	*				-176	175.3	93.6	-97.7	-26.4	0	0	0	112.5
762	E	26.5	Very low	29.2	Very low	181 Å²	181	136 Å²	136	85%	0.846	73%	0.726	S	S	*	*			trans	-94.8	139.6	-157.9	-56.5	170.9	142.4	0	0	118.1
763	V	29.3	Very low	28.8	Very low	123 Å²	123	134.1 Å²	134.1	75%	0.745	72%	0.718	S	S	*	*			trans	44.2	124.4	133.1	-175.1	0	0	0	0	121.5
764	N	27.3	Very low	28.5	Very low	145 Å²	145	134.3 Å²	134.3	78%	0.775	72%	0.724	S	S	*	*			trans	159.1	158.7	130.3	-89.2	-72.8	0	0	0	110.2
765	K	26.9	Very low	28.5	Very low	175 Å²	175	133.8 Å²	133.8	76%	0.761	72%	0.719	S	S	*	*			cis	159.5	156.4	-23.6	-153.7	170.4	-173.3	169	0	107.2
766	E	23.4	Very low	28.2	Very low	167 Å²	167	134.9 Å²	134.9	78%	0.78	71%	0.714	S	S	*	*			trans	84.2	84.9	162.3	-57	-178.4	-178.5	0	0	122.3
767	S	27.3	Very low	27.9	Very low	84 Å²	84	133.4 Å²	133.4	59%	0.587	71%	0.705	S	S	*	*				52.9	139.5	107.9	71.7	0	0	0	0	125.9
768	I	27.1	Very low	27.6	Very low	129 Å²	129	130.7 Å²	130.7	66%	0.662	71%	0.706	S	S	*	*			trans	96.8	116.4	141	-69.9	155.8	0	0	0	123
769	S	28.1	Very low	27.4	Very low	63 Å²	63	132.8 Å²	132.8	44%	0.441	71%	0.705	S	S	.	*			trans	43.6	140.3	150.1	89.6	0	0	0	0	125.4
770	N	28.4	Very low	27.4	Very low	147 Å²	147	131.3 Å²	131.3	79%	0.786	71%	0.706	S	S	*	*				169	124.9	109.8	-79	-49.3	0	0	0	115.9
771	E	26.7	Very low	27.6	Very low	181 Å²	181	132.3 Å²	132.3	85%	0.846	72%	0.717	S	S	*	*			trans	-36.2	159.9	169	-50.9	168.7	128.4	0	0	121.1
772	D	32.3	Very low	27.3	Very low	141 Å²	141	130.6 Å²	130.6	75%	0.754	72%	0.718	S	S	*	*				165.1	126.9	96.7	-170.9	24.8	0	0	0	116.5
773	S	27.4	Very low	27.5	Very low	89 Å²	89	131.2 Å²	131.2	62%	0.622	72%	0.721	S	S	*	*			trans	70.2	152.7	152.7	80.8	0	0	0	0	121.4
774	T	28.2	Very low	27.3	Very low	119 Å²	119	133 Å²	133	73%	0.73	72%	0.724	S	S	*	*			cis	-176.9	166.3	-23.4	39.5	0	0	0	0	105.5
775	K	29.2	Very low	27.4	Very low	164 Å²	164	133.3 Å²	133.3	71%	0.713	73%	0.726	S	S	*	*			cis	-168.9	169.5	-13.5	-106.4	176.6	161.5	-75.3	0	104.4
776	E	25.7	Very low	27.9	Very low	117 Å²	117	132.2 Å²	132.2	55%	0.547	73%	0.727	S	S	.	*			cis	-152	179.6	7.7	-127.4	168.6	-143.1	0	0	105.7
777	K	24.3	Very low	28	Very low	125 Å²	125	132.9 Å²	132.9	54%	0.543	73%	0.73	S	S	.	*			cis	-160.2	-165.7	24.4	-136.6	168.9	170.3	46.5	0	107.2	E779	K777-E779 WeakPolarHBondContact CE-OE1 3.21Å; K777-E779 WeakPolarHBondContact CE-OE2 3.1Å; K777-E779 WeakPolarHBondContact CG-OE2 3.13Å; K777-E779 IonicContact NZ-OE1 2.77Å; K777-E779 PolarHBondContact NZ-OE1 3.32Å; K777-E779 IonicContact NZ-OE2 2.79Å; K777-E779 PolarHBondContact NZ-OE2 2.98Å
778	S	25.5	Very low	28.1	Very low	104 Å²	104	132.6 Å²	132.6	73%	0.727	74%	0.74	S	S	*	*			cis	-170.2	160	2.1	30.1	0	0	0	0	109.2
779	E	22.7	Very low	28	Very low	142 Å²	142	131.9 Å²	131.9	66%	0.664	74%	0.741	S	S	*	*			cis	-171.3	36.3	-29.7	-160.4	133.2	108.7	0	0	109.7	K777	K777-E779 WeakPolarHBondContact CE-OE1 3.21Å; K777-E779 WeakPolarHBondContact CE-OE2 3.1Å; K777-E779 WeakPolarHBondContact CG-OE2 3.13Å; K777-E779 IonicContact NZ-OE1 2.77Å; K777-E779 PolarHBondContact NZ-OE1 3.32Å; K777-E779 IonicContact NZ-OE2 2.79Å; K777-E779 PolarHBondContact NZ-OE2 2.98Å
780	A	30.1	Very low	27.9	Very low	95 Å²	95	133.2 Å²	133.2	79%	0.785	75%	0.747	S	S	*	*			trans	-98.1	144.5	-169.3	0	0	0	0	0	114.3
781	S	30.7	Very low	27.6	Very low	131 Å²	131	133.1 Å²	133.1	92%	0.916	74%	0.742	S	S	*	*			trans	56.7	161	167.8	-72	0	0	0	0	119.3
782	S	25.8	Very low	27.5	Very low	120 Å²	120	129.3 Å²	129.3	84%	0.839	72%	0.722	S	S	*	*			trans	-141.6	123.5	-170.4	58.6	0	0	0	0	111.6
783	Q	30.2	Very low	27.2	Very low	195 Å²	195	131.1 Å²	131.1	91%	0.911	72%	0.72	S	S	*	*			trans	-131.4	150.7	160.3	-163.5	150.6	-19.3	0	0	107.9
784	I	27.1	Very low	27	Very low	159 Å²	159	133 Å²	133	82%	0.815	72%	0.723	S	S	*	*			trans	-110.5	99.1	-170.8	-58.7	175.8	0	0	0	108.7
785	D	29.4	Very low	26.9	Very low	153 Å²	153	133.1 Å²	133.1	82%	0.818	72%	0.719	S	S	*	*			trans	-145.9	171.7	154	-135.2	-39.5	0	0	0	111.5
786	I	36.7	Very low	26.7	Very low	152 Å²	152	132.4 Å²	132.4	78%	0.779	72%	0.718	S	S	*	*			trans	-117.7	131.9	-150.4	-56	-179.4	0	0	0	114.3
787	H	24.5	Very low	26.8	Very low	181 Å²	181	133 Å²	133	84%	0.838	73%	0.725	S	S	*	*			trans	-48.9	142.4	179.1	-83.7	-98.5	0	0	0	116.8
788	G	29.3	Very low	27	Very low	77 Å²	77	129.4 Å²	129.4	79%	0.794	71%	0.712	S	S	*	*			trans	-122.5	-37.6	-179	0	0	0	0	0	119.2
789	V	25.9	Very low	26.9	Very low	114 Å²	114	130.8 Å²	130.8	69%	0.691	70%	0.701	S	S	*	*			trans	76	106.3	162.9	172.9	0	0	0	0	120.4
790	T	24.7	Very low	27	Very low	92 Å²	92	128.5 Å²	128.5	56%	0.564	70%	0.697	S	S	*	*			trans	71.8	115.5	140.8	62.2	0	0	0	0	125.3
791	E	23.6	Very low	26.8	Very low	145 Å²	145	130.4 Å²	130.4	68%	0.678	69%	0.693	S	S	*	*				56.9	130.1	115.2	-58.9	160.4	-166.4	0	0	122.1
792	F	24.5	Very low	26.5	Very low	100 Å²	100	129.4 Å²	129.4	44%	0.439	68%	0.678	S	S	.	*				-176.4	135.2	99	-103.6	-65.2	0	0	0	115.2
793	Y	24.8	Very low	26.4	Very low	180 Å²	180	130.7 Å²	130.7	71%	0.706	67%	0.669	S	S	*	*			trans	54.7	122.2	156.2	-69.1	-56.2	0	0	0	122.1
794	D	23.1	Very low	26.1	Very low	128 Å²	128	127.1 Å²	127.1	68%	0.684	66%	0.66	S	S	*	*				61.5	144.7	126.9	-49.4	-12.2	0	0	0	122.6
795	N	26.9	Very low	25.9	Very low	121 Å²	121	127.5 Å²	127.5	65%	0.647	66%	0.658	S	S	*	*			trans	70.6	103.2	168.1	-67.6	79.2	0	0	0	118
796	E	24.2	Very low	25.5	Very low	150 Å²	150	125.7 Å²	125.7	70%	0.701	65%	0.653	S	S	*	*				53.2	125.7	104.3	-65.6	156.6	-161.3	0	0	119.5
797	N	28.1	Very low	24.9	Very low	129 Å²	129	124.8 Å²	124.8	69%	0.69	65%	0.65	S	S	*	*			trans	67.5	122.5	131.3	-61	22.8	0	0	0	120.5
798	N	29	Very low	24.9	Very low	50 Å²	50	122.7 Å²	122.7	27%	0.267	64%	0.64	S	S	.	*				57.1	112.4	129	-143.4	-5.8	0	0	0	119.8	E744 L745 D747 T800	E744-N798 VanDerWaalsContact CG-OD1 3.3Å; E744-N798 WeakPolarHBondContact CG-OD1 3.34Å; E744-N798 PolarHBondContact OE1-OD1 3.02Å; L745-N798 PolarHBondContact O-ND2 2.68Å; D747-N798 PolarHBondContact OD1-ND2 3.44Å; N798-T800 PolarHBondContact O-N 3.13Å
799	W	23	Very low	24.7	Very low	132 Å²	132	126.2 Å²	126.2	50%	0.5	63%	0.634	S	S	.	*			trans	-68.9	83.8	167.9	-174	-13	0	0	0	113.3	D739 E744 L801	D739-W799 HydrophobicContact CB-CH2 4.16Å; D739-W799 WeakPolarHBondContact O-CH2 3.49Å; D739-W799 WeakPolarHBondContact O-CZ3 3.25Å; E744-W799 VanDerWaalsContact OE1-CB 3.22Å; E744-W799 WeakPolarHBondContact OE1-CB 3.43Å; E744-W799 PolarHBondContact OE1-N 2.98Å; W799-L801 PolarHBondContact O-N 2.97Å
800	T	25.8	Very low	24.8	Very low	94 Å²	94	127.7 Å²	127.7	58%	0.577	64%	0.637	S	S	*	*			trans	-87.9	85.5	160.8	44	0	0	0	0	112.3	D747 N798 N802	D747-T800 WeakPolarHBondContact OD2-CG2 3.35Å; N798-T800 PolarHBondContact O-N 3.13Å; T800-N802 PolarHBondContact O-N 3.06Å; T800-N802 PolarHBondContact O-ND2 2.61Å; T800-N802 VanDerWaalsContact O-ND2 3.11Å
801	L	24.8	Very low	24.9	Very low	135 Å²	135	130.4 Å²	130.4	71%	0.707	64%	0.644	S	S	*	*			trans	-64.7	118.7	-171.8	-162.8	125.1	0	0	0	113.1	W799 K803	W799-L801 PolarHBondContact O-N 2.97Å; L801-K803 PolarHBondContact O-N 2.78Å
802	N	24.4	Very low	25.3	Very low	111 Å²	111	130.9 Å²	130.9	59%	0.594	65%	0.651	S	S	*	*			trans	-92.4	106.6	178.6	-93.1	-99.8	0	0	0	112.8	T800	T800-N802 PolarHBondContact O-N 3.06Å; T800-N802 PolarHBondContact O-ND2 2.61Å; T800-N802 VanDerWaalsContact O-ND2 3.11Å
803	K	24.6	Very low	25.5	Very low	147 Å²	147	131.5 Å²	131.5	64%	0.639	66%	0.659	S	S	*	*			trans	73.6	137.4	142.2	-51.6	177.6	177	69.4	0	120	L801	L801-K803 PolarHBondContact O-N 2.78Å
804	T	23.9	Very low	25.8	Very low	119 Å²	119	130.1 Å²	130.1	73%	0.73	66%	0.659	S	S	*	*			trans	67.1	149.1	135	51.5	0	0	0	0	121.5
805	E	21.7	Very low	25.9	Very low	167 Å²	167	130.6 Å²	130.6	78%	0.78	66%	0.66	S	S	*	*			trans	70.2	94.6	151.5	-77.7	176.2	-165.3	0	0	118.4
806	T	21.6	Very low	26	Very low	115 Å²	115	130.8 Å²	130.8	71%	0.706	66%	0.659	S	S	*	*				55.5	113.8	125.9	59	0	0	0	0	120.2
807	N	24.2	Very low	26.1	Very low	133 Å²	133	131.5 Å²	131.5	71%	0.711	66%	0.663	S	S	*	*				71.6	126.3	125	-80.7	-9.9	0	0	0	122.2
808	Q	25	Very low	26.3	Very low	137 Å²	137	129.5 Å²	129.5	64%	0.64	66%	0.659	S	S	*	*				89.8	123.4	125.2	-73.1	177.7	-68.9	0	0	122.3
809	F	25.5	Very low	26.3	Very low	152 Å²	152	135.6 Å²	135.6	67%	0.667	68%	0.683	S	S	*	*			trans	76.2	150.7	138.2	-66.2	-161.5	0	0	0	116.3
810	L	28.2	Very low	26.6	Very low	145 Å²	145	133.1 Å²	133.1	76%	0.759	68%	0.677	S	S	*	*			cis	-127.4	148.1	16.5	-84.7	88	0	0	0	110.4
811	E	25.3	Very low	26.7	Very low	149 Å²	149	133.5 Å²	133.5	70%	0.696	68%	0.676	S	S	*	*				63.7	85.5	65.7	-68.5	-164.7	140.8	0	0	116.2
812	D	32	Very low	26.8	Very low	154 Å²	154	133.3 Å²	133.3	82%	0.824	68%	0.675	S	S	*	*			trans	-177.3	133.1	148.1	-106.3	-23.2	0	0	0	109.9
813	N	29.6	Very low	26.8	Very low	114 Å²	114	134.9 Å²	134.9	61%	0.61	68%	0.682	S	S	*	*			cis	-164.5	141.8	-28.4	-133.8	-53.5	0	0	0	110.8
814	Q	30.1	Very low	27	Very low	151 Å²	151	132.4 Å²	132.4	71%	0.706	68%	0.68	S	S	*	*			trans	62.1	127.7	151.7	-80.9	161.7	54.6	0	0	124
815	I	26.8	Very low	27.3	Very low	138 Å²	138	132.6 Å²	132.6	71%	0.708	68%	0.683	S	S	*	*				73.4	124	129.5	-67	172	0	0	0	117.5
816	I	28.4	Very low	27.5	Very low	124 Å²	124	130.4 Å²	130.4	64%	0.636	68%	0.677	S	S	*	*			cis	-151.3	144.6	7	-133.4	172.5	0	0	0	112.6
817	E	26.1	Very low	27.6	Very low	166 Å²	166	130.8 Å²	130.8	78%	0.776	67%	0.674	S	S	*	*			trans	30.8	143.8	143.6	-68.8	160.6	-154.7	0	0	122.3
818	S	32.7	Very low	27.6	Very low	86 Å²	86	130.4 Å²	130.4	60%	0.601	67%	0.671	S	S	*	*			cis	-171.6	-169.5	-4.6	52.3	0	0	0	0	111.6
819	F	27.9	Very low	27.6	Very low	179 Å²	179	129.5 Å²	129.5	79%	0.785	67%	0.669	S	S	*	*			trans	71.8	139.4	-173.7	-60.7	-105.4	0	0	0	113.5
820	E	28.9	Very low	27.5	Very low	80 Å²	80	128.7 Å²	128.7	37%	0.374	68%	0.677	S	S	.	*			cis	-158.7	158.6	-20.6	-92.7	-173.4	122.2	0	0	104.8	P683 K686	P683-E820 HydrophobicContact CB-CB 3.98Å; P683-E820 VanDerWaalsContact CB-O 3.25Å; P683-E820 WeakPolarHBondContact CB-O 3.13Å; K686-E820 IonicContact NZ-OE2 2.66Å; K686-E820 PolarHBondContact NZ-OE2 3.01Å
821	N	28.3	Very low	27.3	Very low	101 Å²	101	125.5 Å²	125.5	54%	0.54	67%	0.667	S	S	.	*			cis	-158.5	-178.4	-11.3	-103.3	-18.8	0	0	0	107.7	P683	P683-N821 HydrophobicContact CG-CB 4.2Å
822	N	28.1	Very low	27.3	Very low	131 Å²	131	125.3 Å²	125.3	70%	0.701	67%	0.671	S	S	*	*			trans	-13.9	132.4	159.6	-49.3	-24.2	0	0	0	116.1
823	I	24.4	Very low	26.9	Very low	145 Å²	145	123.5 Å²	123.5	74%	0.744	67%	0.668	S	S	*	*				58.1	93.9	68.2	-59.5	179.2	0	0	0	111.5
824	T	27.3	Very low	26.9	Very low	95 Å²	95	123.2 Å²	123.2	58%	0.583	67%	0.673	S	S	*	*				39.9	151.8	129.4	68.7	0	0	0	0	120.2	D826	T824-D826 WeakPolarHBondContact CB-OD2 3.49Å; T824-D826 VanDerWaalsContact CG2-OD1 3.28Å; T824-D826 WeakPolarHBondContact CG2-OD1 2.99Å; T824-D826 WeakPolarHBondContact CG2-OD2 3.3Å
825	P	30.3	Very low	26.8	Very low	123 Å²	123	122.6 Å²	122.6	80%	0.799	68%	0.68	S	S	*	*			cis	-93.3	155.8	20.6	-2.6	25.1	0	0	0	113.9
826	D	27.5	Very low	26.7	Very low	121 Å²	121	121.5 Å²	121.5	65%	0.647	68%	0.683	S	S	*	*			cis	71.3	74	33	-44.2	-15.2	0	0	0	112.6	T824	T824-D826 WeakPolarHBondContact CB-OD2 3.49Å; T824-D826 VanDerWaalsContact CG2-OD1 3.28Å; T824-D826 WeakPolarHBondContact CG2-OD1 2.99Å; T824-D826 WeakPolarHBondContact CG2-OD2 3.3Å
827	L	23.6	Very low	26.5	Very low	123 Å²	123	125.4 Å²	125.4	64%	0.644	69%	0.69	S	S	*	*	S	Bend	trans	-77.4	145.2	132.7	-135.1	166.3	0	0	0	106
828	L	24.1	Very low	26.5	Very low	124 Å²	124	125.8 Å²	125.8	65%	0.649	68%	0.684	S	S	*	*	S	Bend	trans	71.1	144.5	173.3	-72.3	164.1	0	0	0	119.8
829	I	24.7	Very low	26.1	Very low	118 Å²	118	126.5 Å²	126.5	61%	0.605	68%	0.681	S	S	*	*			trans	57.9	96.8	151.7	-57.4	157.1	0	0	0	118.3
830	T	22.6	Very low	26	Very low	135 Å²	135	122.4 Å²	122.4	83%	0.828	67%	0.666	S	S	*	*				-146.2	146.2	99.9	35.9	0	0	0	0	108.5
831	S	25.5	Very low	25.7	Very low	78 Å²	78	119.5 Å²	119.5	55%	0.545	66%	0.657	S	S	.	*			cis	-176.6	133.3	-14.5	50	0	0	0	0	109.1
832	D	24.9	Very low	25.4	Very low	146 Å²	146	119.8 Å²	119.8	78%	0.781	67%	0.666	S	S	*	*			trans	62.3	161.6	151.6	-32	-29	0	0	0	117.7
833	C	23.7	Very low	25.3	Very low	115 Å²	115	117 Å²	117	78%	0.777	66%	0.657	S	S	*	*			cis	-164.7	163.7	38.2	-128.3	0	0	0	0	110.2
834	P	28.8	Very low	25.5	Very low	108 Å²	108	112.3 Å²	112.3	70%	0.701	64%	0.637	S	S	*	*				-144.8	142.6	-98.7	37.8	-17.3	0	0	0	117.6
835	T	28.2	Very low	25.5	Very low	139 Å²	139	118.7 Å²	118.7	85%	0.853	65%	0.651	S	S	*	*	S	Bend	trans	-155.7	142.9	152.7	-14.9	0	0	0	0	105.6
836	C	25.5	Very low	25.2	Very low	114 Å²	114	118.8 Å²	118.8	77%	0.77	64%	0.643	S	S	*	*			cis	-106.4	131	2.2	-68.3	0	0	0	0	113.1
837	R	23.8	Very low	25	Very low	206 Å²	206	122.2 Å²	122.2	78%	0.777	66%	0.655	S	S	*	*			trans	-139	58.5	144	-160.5	175.7	-169.7	168.8	5.7	109.3	E731	E731-R837 IonicContact OE1-NH1 2.74Å; E731-R837 PolarHBondContact OE1-NH1 3.11Å
838	R	25.8	Very low	25.1	Very low	174 Å²	174	119.3 Å²	119.3	66%	0.657	66%	0.655	S	S	*	*			trans	-117	141.9	134.2	-75.2	172	164.3	-171.8	-10.9	103.5	E749	E749-R838 IonicContact OE1-CZ 3.35Å; E749-R838 IonicContact OE1-NE 2.75Å; E749-R838 PolarHBondContact OE1-NE 3Å; E749-R838 IonicContact OE1-NH2 2.82Å; E749-R838 PolarHBondContact OE1-NH2 2.75Å; E749-R838 IonicContact OE2-NH2 3.68Å; E749-R838 PolarHBondContact OE2-NH2 2.95Å
839	L	24.6	Very low	25.2	Very low	102 Å²	102	121.4 Å²	121.4	53%	0.534	66%	0.661	S	S	.	*	S	Bend	cis	-59.9	156.5	6.7	-59	156.8	0	0	0	113.8
840	L	24.8	Very low	25.4	Very low	93 Å²	93	122.8 Å²	122.8	49%	0.487	66%	0.664	S	S	.	*			cis	-130.4	143.7	-5	-132.8	177.6	0	0	0	109.6	C842 E1508	L840-C842 HydrophobicContact CD2-CB 4.42Å; L840-E1508 HydrophobicContact CD1-CB 4.25Å; L840-E1508 WeakPolarHBondContact CD1-O 3.29Å
841	G	22.8	Very low	25.5	Very low	18 Å²	18	120.3 Å²	120.3	19%	0.186	65%	0.649	C	S	.	*			trans	-137.4	35.3	-167.4	0	0	0	0	0	114.4	E749	E749-G841 WeakPolarHBondContact CB-O 3.31Å; E749-G841 VanDerWaalsContact CD-O 3.26Å; E749-G841 WeakPolarHBondContact CG-O 3.31Å
842	C	23.3	Very low	25.9	Very low	107 Å²	107	122.5 Å²	122.5	72%	0.723	66%	0.655	S	S	*	*			trans	-135.6	90.3	178.2	-92.2	0	0	0	0	111.6	L840	L840-C842 HydrophobicContact CD2-CB 4.42Å
843	S	24.7	Very low	26.3	Very low	72 Å²	72	125.2 Å²	125.2	50%	0.503	65%	0.654	S	S	.	*			trans	-129.9	64.5	164.6	-125.7	0	0	0	0	112.8
844	S	30.1	Very low	26.3	Very low	47 Å²	47	125.8 Å²	125.8	33%	0.329	65%	0.65	S	S	.	*			trans	-150.2	155.6	131	-10	0	0	0	0	107	E751	E751-S844 WeakPolarHBondContact CG-O 3.25Å; E751-S844 VanDerWaalsContact OE1-C 3.24Å
845	R	25.6	Very low	26.3	Very low	230 Å²	230	126.1 Å²	126.1	87%	0.868	66%	0.655	S	S	*	*			cis	94.4	61.1	10.5	-153.1	-156.3	-163.3	158.5	14.6	117.5	E751	E751-R845 PolarHBondContact OE1-N 3.36Å
846	I	24.4	Very low	26.5	Very low	125 Å²	125	126.6 Å²	126.6	64%	0.641	65%	0.645	S	S	*	*			trans	-153.4	144	133.8	-110.7	152.8	0	0	0	116.3	E751 G848	E751-I846 PolarHBondContact OE1-N 3.1Å; E751-I846 PolarHBondContact OE2-N 3.07Å; E751-I846 VanDerWaalsContact OE2-N 3.13Å; I846-G848 PolarHBondContact O-N 2.87Å; I846-G848 VanDerWaalsContact O-N 3.12Å
847	H	23.4	Very low	26.5	Very low	193 Å²	193	126.8 Å²	126.8	89%	0.894	64%	0.642	S	S	*	*			trans	-60.9	108.7	172.8	-78.3	-1	0	0	0	113.7
848	G	26.4	Very low	26.6	Very low	62 Å²	62	122.4 Å²	122.4	64%	0.639	63%	0.634	S	S	*	*				73.9	112.6	97.9	0	0	0	0	0	119.1	I846	I846-G848 PolarHBondContact O-N 2.87Å; I846-G848 VanDerWaalsContact O-N 3.12Å
849	H	26.2	Very low	26.8	Very low	168 Å²	168	121.6 Å²	121.6	78%	0.778	64%	0.638	S	S	*	*			trans	-161	148.6	162.1	-105.8	15.5	0	0	0	109.6
850	Q	28.1	Very low	26.8	Very low	146 Å²	146	123.5 Å²	123.5	68%	0.682	65%	0.647	S	S	*	*			cis	-158.3	124.6	16.1	-143.5	166.8	40.3	0	0	113.9
851	T	24.5	Very low	26.8	Very low	83 Å²	83	125.7 Å²	125.7	51%	0.509	66%	0.659	S	S	.	*			trans	27.9	124.7	143.2	71.7	0	0	0	0	121.8	N854	T851-N854 VanDerWaalsContact CG2-ND2 3.33Å; T851-N854 WeakPolarHBondContact CG2-ND2 3.16Å
852	D	33.4	Very low	27	Very low	125 Å²	125	130.5 Å²	130.5	67%	0.668	68%	0.681	S	S	*	*	S	Bend		-164.7	111.6	127.5	-109.1	-12.5	0	0	0	109.4
853	R	34.8	Very low	27.1	Very low	203 Å²	203	131.8 Å²	131.8	77%	0.766	68%	0.68	S	S	*	*			cis	-153.7	129.8	-6.8	-61.8	179.8	-176.1	112	20.8	108
854	N	24.2	Very low	27.4	Very low	127 Å²	127	134 Å²	134	68%	0.679	69%	0.691	S	S	*	*				62.2	109.3	68.5	-81.5	-31.8	0	0	0	117.2	T851	T851-N854 VanDerWaalsContact CG2-ND2 3.33Å; T851-N854 WeakPolarHBondContact CG2-ND2 3.16Å
855	S	28.6	Very low	27.2	Very low	115 Å²	115	138.8 Å²	138.8	80%	0.804	71%	0.712	S	S	*	*				168.2	121.5	111.6	63.8	0	0	0	0	117.2
856	K	31.5	Very low	27.3	Very low	149 Å²	149	134.7 Å²	134.7	65%	0.648	71%	0.708	S	S	*	*			trans	161.2	151.7	131.9	-95.6	-172.4	176.6	-170.4	0	111.6	E877	K856-E877 IonicContact NZ-OE1 3.04Å; K856-E877 PolarHBondContact NZ-OE1 2.83Å; K856-E877 IonicContact NZ-OE2 3.22Å; K856-E877 PolarHBondContact NZ-OE2 3.25Å
857	V	26.4	Very low	27.8	Very low	117 Å²	117	134.3 Å²	134.3	71%	0.709	71%	0.707	S	S	*	*			cis	86.2	115.8	11.1	179.1	0	0	0	0	115.1
858	D	26	Very low	28.1	Very low	115 Å²	115	132.6 Å²	132.6	62%	0.615	70%	0.697	S	S	*	*			cis	-170.6	156.3	8.4	-120.5	38.5	0	0	0	112.5
859	Q	28.4	Very low	28.3	Very low	157 Å²	157	136.2 Å²	136.2	73%	0.734	70%	0.702	S	S	*	*			trans	77	137.7	152.6	-68.9	162.4	56.9	0	0	119.2
860	I	26.1	Very low	28.3	Very low	141 Å²	141	136.9 Å²	136.9	72%	0.723	71%	0.705	S	S	*	*			cis	95.9	135.4	48.3	-73.8	172.7	0	0	0	115.6
861	D	24.5	Very low	28.4	Very low	139 Å²	139	137.5 Å²	137.5	74%	0.743	71%	0.713	S	S	*	*			trans	92.2	120.4	154.7	-92.4	4.9	0	0	0	124.6
862	N	25.3	Very low	28.6	Very low	120 Å²	120	140.2 Å²	140.2	64%	0.642	73%	0.725	S	S	*	*			trans	78.8	117.6	134.7	-74	-62.8	0	0	0	127
863	N	26.5	Very low	28.4	Very low	133 Å²	133	144 Å²	144	71%	0.711	73%	0.731	S	S	*	*				33	120.9	124.7	-71.5	-64.7	0	0	0	124.7
864	V	30.4	Very low	28.2	Very low	119 Å²	119	139.9 Å²	139.9	72%	0.721	72%	0.724	S	S	*	*				64.1	143	124.2	-179.7	0	0	0	0	122.6
865	D	27.3	Very low	28.4	Very low	147 Å²	147	139.6 Å²	139.6	79%	0.786	72%	0.719	S	S	*	*			trans	85.3	123.3	161.5	-80.9	-15	0	0	0	122.8
866	D	27.7	Very low	28.5	Very low	145 Å²	145	139.5 Å²	139.5	78%	0.775	72%	0.718	S	S	*	*			trans	69	147.5	139.8	-102.7	-23	0	0	0	125.7
867	D	33.2	Very low	28.4	Very low	117 Å²	117	139.6 Å²	139.6	63%	0.626	72%	0.721	S	S	*	*			trans	68.5	90.8	154.5	-90.1	-14.7	0	0	0	124
868	K	31.6	Very low	28.5	Very low	156 Å²	156	140.3 Å²	140.3	68%	0.678	73%	0.726	S	S	*	*				60.4	129	115.7	-70.1	175.5	-164.9	59.5	0	124.2
869	D	28.9	Very low	28.6	Very low	138 Å²	138	141 Å²	141	74%	0.738	74%	0.735	S	S	*	*			trans	67.9	121.2	132.3	-50.1	-19	0	0	0	122.8
870	E	26.8	Very low	28.7	Very low	182 Å²	182	141.2 Å²	141.2	85%	0.85	74%	0.735	S	S	*	*			trans	59	101.4	144.6	-60	-177	163.9	0	0	121.8
871	D	29.9	Very low	28.8	Very low	159 Å²	159	141.6 Å²	141.6	85%	0.85	74%	0.736	S	S	*	*				166.5	85.7	123.3	-92.1	-11.5	0	0	0	114.3
872	D	28.9	Very low	29.1	Very low	140 Å²	140	140.3 Å²	140.3	75%	0.749	73%	0.733	S	S	*	*			trans	32.8	144.9	150.8	-57	-10.9	0	0	0	127.7
873	Y	29.9	Very low	29.3	Very low	205 Å²	205	141.2 Å²	141.2	80%	0.804	74%	0.738	S	S	*	*			trans	92.5	94.3	153.7	-71.8	-75.3	0	0	0	123.2
874	N	29.5	Very low	29.3	Very low	117 Å²	117	142.9 Å²	142.9	63%	0.626	75%	0.747	S	S	*	*			trans	77.9	106.6	137.8	-72.1	48.6	0	0	0	125.1
875	E	28.6	Very low	29.4	Very low	120 Å²	120	142 Å²	142	56%	0.561	75%	0.746	S	S	*	*				48.3	137.5	114	-60.6	171.4	165.3	0	0	121.6	R920	E875-R920 IonicContact OE1-CZ 3.94Å; E875-R920 IonicContact OE1-NH1 3.07Å; E875-R920 IonicContact OE1-NH2 3.95Å; E875-R920 PolarHBondContact OE1-NH2 3.44Å; E875-R920 IonicContact OE2-CZ 3.24Å; E875-R920 IonicContact OE2-NH1 3.88Å; E875-R920 PolarHBondContact OE2-NH1 2.92Å; E875-R920 IonicContact OE2-NH2 3.05Å
876	S	30.6	Very low	29.5	Very low	113 Å²	113	141.5 Å²	141.5	79%	0.79	74%	0.744	S	S	*	*			cis	-171.1	135.9	-14.5	40.3	0	0	0	0	112.7
877	E	29.1	Very low	29.5	Very low	152 Å²	152	140.7 Å²	140.7	71%	0.71	74%	0.739	S	S	*	*			trans	-160.3	152.6	172.3	-80.5	-169.6	127.1	0	0	106.6	K856	K856-E877 IonicContact NZ-OE1 3.04Å; K856-E877 PolarHBondContact NZ-OE1 2.83Å; K856-E877 IonicContact NZ-OE2 3.22Å; K856-E877 PolarHBondContact NZ-OE2 3.25Å
878	T	28.8	Very low	29.4	Very low	132 Å²	132	141.3 Å²	141.3	81%	0.81	74%	0.742	S	S	*	*			cis	-163.9	-172.7	-1.3	22.3	0	0	0	0	111.3
879	T	29.3	Very low	29.4	Very low	130 Å²	130	140.4 Å²	140.4	80%	0.798	75%	0.745	S	S	*	*			trans	-93	159.4	-168.8	47.4	0	0	0	0	119.8
880	E	29.8	Very low	29.6	Very low	161 Å²	161	140.5 Å²	140.5	75%	0.752	75%	0.745	S	S	*	*			trans	69.8	139.2	149.5	-89.5	-169.3	164.9	0	0	126.6
881	M	28.8	Very low	30	Very low	149 Å²	149	138.5 Å²	138.5	73%	0.734	74%	0.741	S	S	*	*			trans	72.1	153.8	153.6	-65.1	-168.6	-164.8	0	0	122.8
882	T	30.4	Very low	30.2	Very low	112 Å²	112	137.9 Å²	137.9	69%	0.687	74%	0.737	S	S	*	*			cis	-165.2	162.4	-15.5	25	0	0	0	0	114.3
883	N	29.6	Very low	30.5	Very low	138 Å²	138	138 Å²	138	74%	0.738	74%	0.738	S	S	*	*			trans	42.1	131.4	148.8	-60.5	13.3	0	0	0	126.6
884	D	26.6	Very low	30.9	Very low	168 Å²	168	136.4 Å²	136.4	90%	0.898	74%	0.743	S	S	*	*				176	167.8	108	-100.9	-0.7	0	0	0	112.7
885	S	32	Very low	30.8	Very low	101 Å²	101	134.3 Å²	134.3	71%	0.706	75%	0.749	S	S	*	*			trans	-117.1	162.6	-162.2	64.8	0	0	0	0	118.5
886	D	29	Very low	30.9	Very low	137 Å²	137	137.6 Å²	137.6	73%	0.733	76%	0.764	S	S	*	*			trans	150.3	104.9	132.8	-79.1	12.1	0	0	0	115.4
887	N	28.8	Very low	30.8	Very low	127 Å²	127	138.2 Å²	138.2	68%	0.679	76%	0.759	S	S	*	*			trans	60	116.5	132.9	-69	55.5	0	0	0	125.7
888	D	30.3	Very low	31	Very low	130 Å²	130	138.3 Å²	138.3	70%	0.695	76%	0.757	S	S	*	*				89.9	145.3	117.3	-55	-8.8	0	0	0	125.4
889	D	32.6	Very low	31.3	Very low	137 Å²	137	138.8 Å²	138.8	73%	0.733	76%	0.755	S	S	*	*			trans	78.1	89.8	155.4	-59.2	-7.5	0	0	0	123.4
890	D	33.4	Very low	31.5	Very low	140 Å²	140	139.9 Å²	139.9	75%	0.749	76%	0.756	S	S	*	*				76.6	155	109.9	-65	-6.6	0	0	0	127.8
891	D	33.6	Very low	31.5	Very low	141 Å²	141	138.2 Å²	138.2	75%	0.754	75%	0.752	S	S	*	*			trans	92.2	115.3	149.9	-70.6	-19.7	0	0	0	124.8
892	D	34.1	Very low	32	Very low	145 Å²	145	135.8 Å²	135.8	78%	0.775	75%	0.747	S	S	*	*				111.9	137.3	120.2	-92	-17.6	0	0	0	125.4
893	D	35.5	Very low	31.9	Very low	143 Å²	143	140.4 Å²	140.4	77%	0.765	75%	0.752	S	S	*	*			trans	76.5	96.3	150.5	-96.4	-17.1	0	0	0	123.8
894	D	39.1	Very low	32.1	Very low	172 Å²	172	141 Å²	141	92%	0.92	76%	0.755	S	S	*	*				-170.8	124.2	117.3	-108	-22.9	0	0	0	111.6
895	G	27.5	Very low	32.3	Very low	72 Å²	72	142.5 Å²	142.5	74%	0.742	75%	0.75	S	S	*	*			trans	-107.3	-166.7	-167.2	0	0	0	0	0	117.7
896	E	29.6	Very low	32.2	Very low	189 Å²	189	145 Å²	145	88%	0.883	75%	0.754	S	S	*	*			cis	-151.5	153.4	15.6	-56.6	173.4	96.4	0	0	112.5
897	D	30.2	Very low	32.1	Very low	127 Å²	127	141.5 Å²	141.5	68%	0.679	75%	0.751	S	S	*	*			trans	78.2	118.6	151.9	-85.2	-11.2	0	0	0	126
898	K	33.1	Very low	32.3	Very low	153 Å²	153	144.9 Å²	144.9	67%	0.665	76%	0.762	S	S	*	*			trans	71.1	143.2	133.3	-67.9	-179.5	-171.9	67.3	0	122.2
899	D	35.2	Very low	32.2	Very low	142 Å²	142	147.5 Å²	147.5	76%	0.759	77%	0.768	S	S	*	*			cis	-129.6	177.4	3.3	-73.5	-56.9	0	0	0	111.8
900	D	33.2	Very low	31.9	Very low	153 Å²	153	148.4 Å²	148.4	82%	0.818	77%	0.771	S	S	*	*			trans	-85.9	153.1	-160.5	-48.4	-74.8	0	0	0	116.5
901	D	30	Very low	31.7	Very low	126 Å²	126	151.4 Å²	151.4	67%	0.674	77%	0.773	S	S	*	*				64.6	139.9	68.7	-145.9	50.2	0	0	0	113.6
902	P	38.3	Very low	31.3	Very low	98 Å²	98	151.3 Å²	151.3	64%	0.636	77%	0.768	S	S	*	*			cis	-150.1	140.1	35.4	39.9	-16.3	0	0	0	122.5
903	R	28	Very low	30.8	Very low	210 Å²	210	148 Å²	148	79%	0.792	76%	0.756	S	S	*	*			trans	65.6	105.3	142.2	-58.7	172.4	-153.6	141.3	14.5	122.7
904	N	34.9	Very low	30.3	Very low	151 Å²	151	150 Å²	150	81%	0.807	76%	0.759	S	S	*	*				-142.8	155.7	123.5	-118.5	16.4	0	0	0	106.4
905	Y	29.6	Very low	29.5	Very low	198 Å²	198	147.5 Å²	147.5	78%	0.776	74%	0.744	S	S	*	*			cis	65.6	140.4	46.6	-91.6	-101.4	0	0	0	114.5
906	L	31.5	Very low	29.4	Very low	154 Å²	154	152.9 Å²	152.9	81%	0.806	75%	0.747	S	S	*	*			cis	-171.1	97.3	-47.5	-113	164.1	0	0	0	107.9
907	G	25.9	Very low	29.3	Very low	64 Å²	64	147.7 Å²	147.7	66%	0.66	73%	0.731	S	S	*	*			trans	-172.1	153.2	179.2	0	0	0	0	0	108.1
908	E	32.6	Very low	29.2	Very low	197 Å²	197	148.4 Å²	148.4	92%	0.921	74%	0.74	S	S	*	*			cis	82.8	135.2	35.1	-63.4	-165.9	117.5	0	0	114
909	K	28	Very low	28.8	Very low	185 Å²	185	148.5 Å²	148.5	80%	0.804	74%	0.741	S	S	*	*			trans	28.3	118.3	-169.9	-62.2	-178.6	-177.4	177.7	0	115.3
910	I	26.1	Very low	28.2	Very low	157 Å²	157	150.1 Å²	150.1	81%	0.805	74%	0.736	S	S	*	*			cis	-133.8	141	44.3	-67.1	155	0	0	0	110.6
911	Y	30.5	Very low	27.8	Very low	203 Å²	203	150.8 Å²	150.8	80%	0.796	73%	0.734	S	S	*	*				-158.4	140	129.6	-129.9	-91.1	0	0	0	111.8
912	E	25.2	Very low	27.4	Very low	139 Å²	139	153 Å²	153	65%	0.65	74%	0.743	S	S	*	*			trans	-36	132	179.6	-57.3	172.5	89.4	0	0	116.1
913	S	23.7	Very low	26.7	Very low	75 Å²	75	158.9 Å²	158.9	52%	0.524	75%	0.752	S	S	.	*				41.4	139.2	110.1	108.8	0	0	0	0	120.2
914	K	23.7	Very low	26.7	Very low	186 Å²	186	158.9 Å²	158.9	81%	0.809	76%	0.758	S	S	*	*			trans	66.9	128	142.8	-61.3	165	-166.5	163.4	0	115.6
915	I	22.5	Very low	26.2	Very low	119 Å²	119	157.6 Å²	157.6	61%	0.61	75%	0.751	S	S	*	*			cis	-170.6	138.9	20.5	-127.5	172.1	0	0	0	114.8
916	K	24.9	Very low	26.4	Very low	185 Å²	185	156.3 Å²	156.3	80%	0.804	75%	0.751	S	S	*	*			trans	59.9	140.2	144.5	-68.3	155.7	-171	167	0	123.6
917	S	28.9	Very low	26.1	Very low	79 Å²	79	156.9 Å²	156.9	55%	0.552	75%	0.75	S	S	*	*			trans	86.2	107.6	134.9	168.6	0	0	0	0	119.9	F919	S917-F919 WeakPolarHBondContact O-CD2 3.39Å
918	T	27.5	Very low	26.1	Very low	143 Å²	143	158.9 Å²	158.9	88%	0.877	75%	0.754	S	S	*	*	S	Bend		-122.1	138.7	127.7	66.2	0	0	0	0	111.3
919	F	24	Very low	25.9	Very low	155 Å²	155	156.8 Å²	156.8	68%	0.68	74%	0.742	S	S	*	*			cis	-161.6	118.4	-34.4	-143.8	-79.4	0	0	0	109.3	S917	S917-F919 WeakPolarHBondContact O-CD2 3.39Å
920	R	24	Very low	26	Very low	175 Å²	175	153.9 Å²	153.9	66%	0.66	74%	0.735	S	S	*	*			trans	160.5	114.9	140.9	-88.6	154.4	-163.6	167.4	10	114.3	E875	E875-R920 IonicContact OE1-CZ 3.94Å; E875-R920 IonicContact OE1-NH1 3.07Å; E875-R920 IonicContact OE1-NH2 3.95Å; E875-R920 PolarHBondContact OE1-NH2 3.44Å; E875-R920 IonicContact OE2-CZ 3.24Å; E875-R920 IonicContact OE2-NH1 3.88Å; E875-R920 PolarHBondContact OE2-NH1 2.92Å; E875-R920 IonicContact OE2-NH2 3.05Å
921	H	23.1	Very low	26.2	Very low	167 Å²	167	152.2 Å²	152.2	77%	0.773	73%	0.728	S	S	*	*				21.6	119.9	117.3	-86.3	32.8	0	0	0	119
922	M	22.1	Very low	26.4	Very low	174 Å²	174	149.1 Å²	149.1	86%	0.857	73%	0.725	S	S	*	*			trans	60.9	91.8	130.7	-69.3	-83.3	-126.3	0	0	118.6
923	R	23.3	Very low	26.7	Very low	221 Å²	221	148.2 Å²	148.2	83%	0.834	73%	0.725	S	S	*	*				-169.6	114.7	111.4	-107.7	-175.1	-173.4	132.5	4.4	114.3
924	K	28.2	Very low	27	Very low	209 Å²	209	151.8 Å²	151.8	91%	0.909	74%	0.738	S	S	*	*				-72.6	122.5	122.8	-89.5	-179.6	176.5	171.3	0	106.8
925	L	24.1	Very low	27.4	Very low	125 Å²	125	146 Å²	146	65%	0.654	73%	0.732	S	S	*	*			trans	162.5	102.7	141	-88.8	169.1	0	0	0	110.1
926	E	34.4	Very low	27.8	Very low	170 Å²	170	148 Å²	148	79%	0.794	74%	0.743	S	S	*	*				17.6	144.1	122.8	-49.1	-178.5	112.4	0	0	118.7
927	E	25.4	Very low	28.1	Very low	167 Å²	167	144.8 Å²	144.8	78%	0.78	74%	0.739	S	S	*	*				-152.9	115.7	123.9	-130.8	-170.9	-138.2	0	0	113.2
928	S	25.8	Very low	28	Very low	106 Å²	106	147 Å²	147	74%	0.741	75%	0.745	S	S	*	*	S	Bend	trans	-110	28.7	154.7	90.5	0	0	0	0	114.4
929	K	28	Very low	28	Very low	152 Å²	152	146.2 Å²	146.2	66%	0.661	74%	0.735	S	S	*	*			trans	99.5	151.4	152.6	-51.4	159.6	-151.9	70.4	0	118
930	D	31.2	Very low	28.2	Very low	124 Å²	124	145.3 Å²	145.3	66%	0.663	74%	0.738	S	S	*	*			trans	111.2	65.2	137.5	-75.1	-34.9	0	0	0	120.8
931	N	30.3	Very low	28.3	Very low	122 Å²	122	143.5 Å²	143.5	65%	0.652	75%	0.746	S	S	*	*				96.5	139.1	124.5	-54.2	-70	0	0	0	122.7
932	D	35.1	Very low	29.2	Very low	139 Å²	139	138.7 Å²	138.7	74%	0.743	74%	0.742	S	S	*	*			trans	76	138.8	144.3	-71.8	-28.6	0	0	0	121.6
933	N	30.8	Very low	29.6	Very low	119 Å²	119	141.2 Å²	141.2	64%	0.636	74%	0.743	S	S	*	*			cis	-176.1	141.8	-29.6	-132.5	-51	0	0	0	113.6
934	N	29.4	Very low	29.7	Very low	150 Å²	150	137 Å²	137	80%	0.802	73%	0.733	S	S	*	*			trans	68.3	137	159.9	-54.7	-72.6	0	0	0	122.7
935	G	31.7	Very low	29.7	Very low	66 Å²	66	134.7 Å²	134.7	68%	0.68	73%	0.725	S	S	*	*			trans	143.4	82.6	157.2	0	0	0	0	0	113.1
936	D	31.7	Very low	29.8	Very low	160 Å²	160	132.5 Å²	132.5	86%	0.856	72%	0.72	S	S	*	*				59.8	126.5	86.7	-74.1	-14.6	0	0	0	113.7
937	V	30.3	Very low	29.5	Very low	118 Å²	118	131.9 Å²	131.9	72%	0.715	72%	0.721	S	S	*	*			cis	-170.9	167.3	0.5	86.2	0	0	0	0	111.4
938	D	28.5	Very low	29.6	Very low	126 Å²	126	130.2 Å²	130.2	67%	0.674	73%	0.728	S	S	*	*			trans	72	115.8	158.3	-81.3	15.3	0	0	0	123.3
939	N	27.1	Very low	29.9	Very low	126 Å²	126	131.7 Å²	131.7	67%	0.674	73%	0.726	S	S	*	*				73.5	133.4	126.4	-55.6	-33.6	0	0	0	124.2
940	N	27.1	Very low	30.1	Very low	136 Å²	136	129.9 Å²	129.9	73%	0.727	73%	0.731	S	S	*	*			trans	62.4	135.4	133.9	-80.4	16.9	0	0	0	123.1
941	T	27.1	Very low	30.6	Very low	136 Å²	136	128.2 Å²	128.2	83%	0.834	73%	0.734	S	S	*	*			trans	61.3	133.4	139.8	56.9	0	0	0	0	119.9
942	G	42.2	Very low	31.1	Very low	67 Å²	67	127.2 Å²	127.2	69%	0.691	74%	0.737	S	S	*	*			trans	110.1	97.3	177.1	0	0	0	0	0	111.8
943	Y	29.3	Very low	31	Very low	227 Å²	227	130.5 Å²	130.5	89%	0.89	74%	0.739	S	S	*	*			cis	31.3	79.3	-5.5	-92.8	-65.5	0	0	0	117.9
944	H	25.6	Very low	30.7	Very low	132 Å²	132	131.8 Å²	131.8	61%	0.611	74%	0.741	S	S	*	*			trans	-158.2	159.7	151.3	-104	-31.5	0	0	0	107.3	C946	H944-C946 PolarHBondContact ND1-SG 2.66Å
945	E	29.2	Very low	30.5	Very low	161 Å²	161	128 Å²	128	75%	0.752	74%	0.737	S	S	*	*			cis	-136.8	84.5	7.6	-143.5	120.2	-175.1	0	0	108.8
946	C	25.5	Very low	30.3	Very low	79 Å²	79	133.9 Å²	133.9	53%	0.534	74%	0.744	S	S	.	*				49.4	101.8	97.9	-60.3	0	0	0	0	114.7	H944	H944-C946 PolarHBondContact ND1-SG 2.66Å
947	L	29	Very low	30.1	Very low	156 Å²	156	134.2 Å²	134.2	82%	0.817	74%	0.738	S	S	*	*	S	Bend	trans	35.3	90.8	149.8	-70	163.2	0	0	0	115.5	I949	L947-I949 HydrophobicContact CB-CD1 4.15Å; L947-I949 WeakPolarHBondContact O-CG1 3.44Å; L947-I949 PolarHBondContact O-N 2.74Å
948	S	26.1	Very low	30	Very low	132 Å²	132	134.6 Å²	134.6	92%	0.923	74%	0.735	S	S	*	*			trans	-58.4	98.2	-178	-174.4	0	0	0	0	113.3
949	I	32.9	Very low	30.1	Very low	137 Å²	137	135.2 Å²	135.2	70%	0.703	74%	0.738	S	S	*	*			trans	-129.6	106.3	-170.4	-70.6	177	0	0	0	113.7	L947	L947-I949 HydrophobicContact CB-CD1 4.15Å; L947-I949 WeakPolarHBondContact O-CG1 3.44Å; L947-I949 PolarHBondContact O-N 2.74Å
950	C	32.9	Very low	30.3	Very low	114 Å²	114	137.2 Å²	137.2	77%	0.77	75%	0.748	S	S	*	*			trans	80.3	84.9	144.6	-76	0	0	0	0	122.6
951	A	40.9	Very low	30.4	Very low	89 Å²	89	142 Å²	142	74%	0.736	76%	0.756	S	S	*	*				49.1	141.9	109.9	0	0	0	0	0	120.5
952	S	41.3	Very low	30.4	Very low	102 Å²	102	147 Å²	147	71%	0.713	76%	0.759	S	S	*	*				173.4	151.5	72.1	-68.6	0	0	0	0	113
953	R	31.9	Very low	29.9	Very low	208 Å²	208	149.7 Å²	149.7	79%	0.785	76%	0.763	S	S	*	*				175	120.2	104.8	-97.4	-164.6	174.8	91.4	7.9	116.9
954	H	26.1	Very low	30.4	Very low	146 Å²	146	144.4 Å²	144.4	68%	0.676	76%	0.756	S	S	*	*	S	Bend	trans	73.4	109.4	139.4	-60.6	-3.2	0	0	0	116.4
955	G	23.2	Very low	30.7	Very low	69 Å²	69	145.7 Å²	145.7	71%	0.711	77%	0.768	S	S	*	*	S	Bend	cis	-49.6	132.7	10	0	0	0	0	0	114.6
956	K	28.3	Very low	31	Very low	190 Å²	190	143.3 Å²	143.3	83%	0.826	77%	0.769	S	S	*	*				68	123.5	52.3	-67.8	-179.1	-171.4	168.6	0	110.9
957	K	28.7	Very low	31.5	Very low	168 Å²	168	148.4 Å²	148.4	73%	0.73	79%	0.785	S	S	*	*			cis	-173	123.1	-11	-172.6	-176.5	163.6	-108.8	0	107.5
958	L	27.2	Very low	32	Very low	125 Å²	125	146.8 Å²	146.8	65%	0.654	78%	0.777	S	S	*	*			trans	75.9	133.1	179.6	-52.4	129.9	0	0	0	113.7
959	D	30.7	Very low	32.3	Very low	139 Å²	139	147.8 Å²	147.8	74%	0.743	77%	0.772	S	S	*	*			trans	56.6	138.9	144.4	-36.1	-25.7	0	0	0	122.5
960	L	31	Very low	32.2	Very low	168 Å²	168	147.4 Å²	147.4	88%	0.88	77%	0.771	S	S	*	*			trans	87.1	138.9	159	-55	168.5	0	0	0	124
961	R	29.1	Very low	32.2	Very low	238 Å²	238	146 Å²	146	90%	0.898	76%	0.763	S	S	*	*			trans	59.4	147.8	151.9	-73.6	-171.9	173.6	-168.8	-2.7	126.8
962	R	27.1	Very low	31.6	Very low	240 Å²	240	151 Å²	151	91%	0.906	77%	0.768	S	S	*	*			trans	66.4	177.3	157	-85.1	-170.3	176.7	-174.8	-0.8	123.6
963	T	31.8	Very low	31	Very low	124 Å²	124	149.8 Å²	149.8	76%	0.761	77%	0.772	S	S	*	*			trans	-105.6	-155.7	-144.1	48.8	0	0	0	0	115.8
964	P	39	Very low	30.9	Very low	116 Å²	116	148.3 Å²	148.3	75%	0.753	77%	0.774	S	S	*	*			cis	-128.8	-176.1	-39.2	23.9	0.1	0	0	0	116.7
965	N	31.9	Very low	31.1	Very low	159 Å²	159	149.3 Å²	149.3	85%	0.85	78%	0.779	S	S	*	*			trans	25.6	136.4	155.8	-77.7	-7.2	0	0	0	129.9
966	S	37.3	Very low	31.4	Very low	111 Å²	111	152.3 Å²	152.3	78%	0.776	78%	0.779	S	S	*	*			trans	70.5	170	140.2	103.3	0	0	0	0	125.2
967	E	35.5	Very low	31.6	Very low	186 Å²	186	149 Å²	149	87%	0.869	77%	0.766	S	S	*	*			trans	57	152.2	-177.5	-63.7	-151.1	144.9	0	0	120.7
968	D	38.5	Very low	31.8	Very low	122 Å²	122	144.2 Å²	144.2	65%	0.652	75%	0.748	S	S	*	*				179	133.9	117.4	-140.7	-21.1	0	0	0	111.5
969	D	33.2	Very low	32.1	Very low	152 Å²	152	141.3 Å²	141.3	81%	0.813	73%	0.732	S	S	*	*				-176.5	99.1	116.4	-117.5	-13	0	0	0	112.1
970	D	31.4	Very low	32.1	Very low	130 Å²	130	140.9 Å²	140.9	70%	0.695	73%	0.729	S	S	*	*	S	Bend		144.2	66.1	108.1	-151.4	7.3	0	0	0	116.8
971	S	31.3	Very low	32.4	Very low	85 Å²	85	142.2 Å²	142.2	59%	0.594	73%	0.727	S	S	*	*			trans	93.9	93.9	131.6	78.1	0	0	0	0	124.6
972	K	29.3	Very low	32.5	Very low	192 Å²	192	134.9 Å²	134.9	84%	0.835	73%	0.726	S	S	*	*				69.5	111.3	116.4	-69.5	167	172.7	61.1	0	123.5
973	G	28.5	Very low	33	Very low	77 Å²	77	128.4 Å²	128.4	79%	0.794	72%	0.717	S	S	*	*			trans	95.9	144.8	130.5	0	0	0	0	0	119.1
974	E	29.6	Very low	33.1	Very low	177 Å²	177	128.6 Å²	128.6	83%	0.827	72%	0.718	S	S	*	*			cis	-166.4	140.1	3	-156.8	163.3	-115.5	0	0	109.5
975	E	30	Very low	32.6	Very low	167 Å²	167	129.4 Å²	129.4	78%	0.78	72%	0.721	S	S	*	*			trans	45.8	112.4	161.4	-68.8	165	-163	0	0	122.6
976	D	29.4	Very low	32.5	Very low	133 Å²	133	129.7 Å²	129.7	71%	0.711	72%	0.717	S	S	*	*				158.8	107.5	109.2	-97.1	-13.6	0	0	0	113.4	K997	D976-K997 PolarHBondContact O-NZ 2.71Å
977	E	32.4	Very low	32.2	Very low	119 Å²	119	129.1 Å²	129.1	56%	0.556	71%	0.713	S	S	*	*			trans	45.7	145.5	161.9	-52.9	-163.7	111	0	0	121.4	K997 K999	E977-K997 PolarHBondContact O-NZ 2.78Å; E977-K999 VanDerWaalsContact OE1-CD 3.32Å; E977-K999 WeakPolarHBondContact OE1-CD 3.29Å; E977-K999 VanDerWaalsContact OE1-CE 3.27Å; E977-K999 WeakPolarHBondContact OE1-CE 3.16Å; E977-K999 IonicContact OE1-NZ 2.67Å; E977-K999 PolarHBondContact OE1-NZ 3.27Å
978	D	32.7	Very low	32	Very low	69 Å²	69	125.3 Å²	125.3	37%	0.369	70%	0.703	S	S	.	*			trans	80.8	162.6	157.2	87.9	-126.8	0	0	0	123.2	K997 N998 K999	D978-K997 WeakPolarHBondContact OD1-CB 3.3Å; D978-K997 WeakPolarHBondContact OD1-CD 3.49Å; D978-K997 WeakPolarHBondContact OD1-CE 3.36Å; D978-K997 WeakPolarHBondContact OD1-CG 2.98Å; D978-K997 IonicContact OD1-NZ 3.64Å; D978-K997 PolarHBondContact OD1-NZ 2.76Å; D978-N998 HydrophobicContact CB-CB 3.73Å; D978-N998 WeakPolarHBondContact CB-O 3.21Å; D978-N998 WeakPolarHBondContact OD2-CB 3.23Å; D978-K999 VanDerWaalsContact CB-CA 3.45Å; D978-K999 HydrophobicContact CB-CB 4.26Å
979	Q	33.6	Very low	31.6	Very low	64 Å²	64	125.8 Å²	125.8	30%	0.299	71%	0.71	S	S	.	*			cis	-177.5	154.9	-40	179.4	-141.5	12.8	0	0	110.2	N998 K999 K1000	Q979-N998 HydrophobicContact CB-CB 4.1Å; Q979-N998 PolarHBondContact O-ND2 3.19Å; Q979-K999 PolarHBondContact NE2-O 2.75Å; Q979-K999 PolarHBondContact OE1-O 2.79Å; Q979-K1000 WeakPolarHBondContact CG-O 3.28Å; Q979-K1000 PolarHBondContact NE2-O 3.02Å
980	L	32.2	Very low	31.3	Very low	130 Å²	130	124.9 Å²	124.9	68%	0.681	70%	0.701	S	S	*	*			trans	87.4	140.5	155.8	-113.4	177.8	0	0	0	117.6
981	K	36.5	Very low	31.2	Very low	195 Å²	195	125.7 Å²	125.7	85%	0.848	71%	0.705	S	S	*	*			trans	-71	152.8	-164.4	-54	-176.2	-179.4	-171.7	0	114
982	G	32	Very low	31.1	Very low	84 Å²	84	128.1 Å²	128.1	87%	0.866	71%	0.705	S	S	*	*			trans	140	133.8	153.8	0	0	0	0	0	117.5
983	S	36.3	Very low	30.9	Very low	104 Å²	104	126.9 Å²	126.9	73%	0.727	71%	0.707	S	S	*	*			trans	-111.4	171.5	-176.5	67.6	0	0	0	0	114.1
984	T	34.1	Very low	31	Very low	129 Å²	129	128.9 Å²	128.9	79%	0.791	70%	0.704	S	S	*	*			trans	67.9	169.8	177.5	74.1	0	0	0	0	114.5
985	V	28.9	Very low	31	Very low	132 Å²	132	128.6 Å²	128.6	80%	0.8	70%	0.702	S	S	*	*			cis	-126.9	-142.5	14.3	-154.7	0	0	0	0	110.6
986	E	29.7	Very low	31	Very low	165 Å²	165	127.7 Å²	127.7	77%	0.771	70%	0.702	S	S	*	*			cis	-155.3	169.9	37.5	-70.1	-159.4	127.7	0	0	110.7
987	S	32.1	Very low	31.2	Very low	100 Å²	100	127 Å²	127	70%	0.699	69%	0.693	S	S	*	*				170.8	166.1	62.6	63.2	0	0	0	0	111.5
988	T	30.8	Very low	31.1	Very low	105 Å²	105	125.5 Å²	125.5	64%	0.644	69%	0.689	S	S	*	*			cis	-141	142.3	6.7	51.2	0	0	0	0	111.5
989	T	28.7	Very low	31	Very low	132 Å²	132	128.2 Å²	128.2	81%	0.81	70%	0.697	S	S	*	*				-162.7	83.1	115.5	22.7	0	0	0	0	112.6
990	E	27.9	Very low	30.9	Very low	133 Å²	133	131 Å²	131	62%	0.621	71%	0.709	S	S	*	*				47.4	93.6	125.6	-66.1	-156.2	92.5	0	0	121	K992	E990-K992 IonicContact OE1-NZ 3.48Å; E990-K992 PolarHBondContact OE1-NZ 3.25Å
991	N	28.9	Very low	30.8	Very low	147 Å²	147	129.9 Å²	129.9	79%	0.786	70%	0.7	S	S	*	*				-168.1	101.7	124.5	-87.7	-36.5	0	0	0	108.5
992	K	29.1	Very low	30.5	Very low	137 Å²	137	127.3 Å²	127.3	60%	0.596	69%	0.694	S	S	*	*				78	111.4	72.1	-74	-177.5	-173.8	67.4	0	115.3	E990	E990-K992 IonicContact OE1-NZ 3.48Å; E990-K992 PolarHBondContact OE1-NZ 3.25Å
993	L	26.6	Very low	30.4	Very low	165 Å²	165	128.1 Å²	128.1	86%	0.864	69%	0.687	S	S	*	*			trans	70.6	138	159.2	-98.5	65.6	0	0	0	115.4
994	V	29.3	Very low	30.1	Very low	120 Å²	120	129.9 Å²	129.9	73%	0.727	69%	0.688	S	S	*	*			cis	-145.8	175.5	22.1	-176.4	0	0	0	0	111.1
995	H	30.4	Very low	29.8	Very low	170 Å²	170	130.5 Å²	130.5	79%	0.787	69%	0.686	S	S	*	*			trans	-49.9	168.7	166.6	-35.4	-65.4	0	0	0	115
996	N	30.4	Very low	29.7	Very low	148 Å²	148	133.6 Å²	133.6	79%	0.791	69%	0.689	S	S	*	*			cis	-163.5	-152.2	35.7	-131.8	43.8	0	0	0	111
997	K	33.3	Very low	29.9	Very low	118 Å²	118	132.9 Å²	132.9	51%	0.513	69%	0.69	S	S	.	*			trans	-77.8	169.6	-175.7	-63.2	175.7	142.9	-117.4	0	119	D976 E977 D978	D976-K997 PolarHBondContact O-NZ 2.71Å; E977-K997 PolarHBondContact O-NZ 2.78Å; D978-K997 WeakPolarHBondContact OD1-CB 3.3Å; D978-K997 WeakPolarHBondContact OD1-CD 3.49Å; D978-K997 WeakPolarHBondContact OD1-CE 3.36Å; D978-K997 WeakPolarHBondContact OD1-CG 2.98Å; D978-K997 IonicContact OD1-NZ 3.64Å; D978-K997 PolarHBondContact OD1-NZ 2.76Å
998	N	29.8	Very low	30.6	Very low	88 Å²	88	135.2 Å²	135.2	47%	0.471	69%	0.693	S	S	.	*			cis	112.2	146.4	-11.2	-69.4	38.7	0	0	0	121.5	D978 Q979	D978-N998 HydrophobicContact CB-CB 3.73Å; D978-N998 WeakPolarHBondContact CB-O 3.21Å; D978-N998 WeakPolarHBondContact OD2-CB 3.23Å; Q979-N998 HydrophobicContact CB-CB 4.1Å; Q979-N998 PolarHBondContact O-ND2 3.19Å
999	K	30.3	Very low	30.7	Very low	127 Å²	127	135.5 Å²	135.5	55%	0.552	70%	0.697	S	S	*	*			trans	179.8	140	159.2	179.2	168.7	-179.4	167.9	0	116.2	E977 D978 Q979	E977-K999 VanDerWaalsContact OE1-CD 3.32Å; E977-K999 WeakPolarHBondContact OE1-CD 3.29Å; E977-K999 VanDerWaalsContact OE1-CE 3.27Å; E977-K999 WeakPolarHBondContact OE1-CE 3.16Å; E977-K999 IonicContact OE1-NZ 2.67Å; E977-K999 PolarHBondContact OE1-NZ 3.27Å; D978-K999 VanDerWaalsContact CB-CA 3.45Å; D978-K999 HydrophobicContact CB-CB 4.26Å; Q979-K999 PolarHBondContact NE2-O 2.75Å; Q979-K999 PolarHBondContact OE1-O 2.79Å
1000	K	31.8	Very low	30.8	Very low	123 Å²	123	135.7 Å²	135.7	54%	0.535	69%	0.688	S	S	.	*			trans	26.6	171.1	176.8	-136.1	-167.3	174.2	-165.9	0	119.8	Q979	Q979-K1000 WeakPolarHBondContact CG-O 3.28Å; Q979-K1000 PolarHBondContact NE2-O 3.02Å
1001	Q	30.9	Very low	31.1	Very low	106 Å²	106	132.4 Å²	132.4	50%	0.495	67%	0.674	S	S	.	*			trans	58.3	168	157.8	-78.6	-61.7	6.9	0	0	125
1002	L	28.8	Very low	31.2	Very low	140 Å²	140	134.9 Å²	134.9	73%	0.733	68%	0.681	S	S	*	*			trans	-65.3	-176.5	-168.5	-99.9	70	0	0	0	117.3
1003	S	30.6	Very low	31.5	Very low	101 Å²	101	134.2 Å²	134.2	71%	0.706	68%	0.678	S	S	*	*			cis	-154.4	173.3	20.7	63.3	0	0	0	0	116.1
1004	N	30.1	Very low	31.7	Very low	142 Å²	142	133.3 Å²	133.3	76%	0.759	67%	0.674	S	S	*	*			trans	69.4	123.5	145.9	-104.1	-40.2	0	0	0	128.3
1005	L	27.7	Very low	31.7	Very low	141 Å²	141	134 Å²	134	74%	0.738	67%	0.667	S	S	*	*			trans	37.9	123.7	143.7	-81.3	168.5	0	0	0	126.5
1006	K	26.1	Very low	31.9	Very low	198 Å²	198	129.5 Å²	129.5	86%	0.861	65%	0.648	S	S	*	*				159.9	168.9	113.1	-101.4	161.2	-179.1	157.5	0	117.6
1007	N	34.8	Very low	31.7	Very low	149 Å²	149	129.7 Å²	129.7	80%	0.797	65%	0.645	S	S	*	*			trans	-108.3	-176	-143.9	-125.5	-34.2	0	0	0	119.2
1008	I	46.5	Very low	31.7	Very low	150 Å²	150	128.4 Å²	128.4	77%	0.769	66%	0.656	S	S	*	*			trans	-62.4	150.3	-168.6	-59.7	153.5	0	0	0	117.3
1009	P	33.2	Very low	31.6	Very low	110 Å²	110	129.5 Å²	129.5	71%	0.714	66%	0.662	S	S	*	*			trans	-140.7	148.3	140.1	37	-23.4	0	0	0	115.5
1010	E	30.2	Very low	31.7	Very low	136 Å²	136	129.9 Å²	129.9	64%	0.636	68%	0.675	S	S	*	*			cis	120.6	171.2	9.6	-167.3	-104.4	138	0	0	113.2	L1016	E1010-L1016 VanDerWaalsContact OE2-CD1 3.28Å; E1010-L1016 WeakPolarHBondContact OE2-CD1 3.25Å
1011	I	35	Very low	31.8	Very low	64 Å²	64	133.3 Å²	133.3	33%	0.328	69%	0.689	S	S	.	*			trans	98.4	107.4	161.1	-50	177	0	0	0	119.6	K1013 L1016	I1011-K1013 HydrophobicContact CG2-CB 3.41Å; I1011-K1013 VanDerWaalsContact CG2-CB 3.41Å; I1011-K1013 HydrophobicContact CG2-CD 3.87Å; I1011-K1013 HydrophobicContact CG2-CG 3.51Å; I1011-L1016 HydrophobicContact CD1-CD1 4.27Å; I1011-L1016 HydrophobicContact CD1-CD2 4.04Å; I1011-L1016 HydrophobicContact CG1-CD1 4.23Å
1012	H	30	Very low	32.3	Very low	200 Å²	200	132.6 Å²	132.6	93%	0.926	70%	0.702	S	S	*	*	S	Bend	trans	-98	119.1	139.9	-160.4	-94.8	0	0	0	109
1013	K	35.5	Very low	32.1	Very low	122 Å²	122	132.6 Å²	132.6	53%	0.53	70%	0.702	S	S	.	*	S	Bend	trans	-92.9	132.9	-143.5	-156.1	154.5	-169.5	114.8	0	116.8	I1011	I1011-K1013 HydrophobicContact CG2-CB 3.41Å; I1011-K1013 VanDerWaalsContact CG2-CB 3.41Å; I1011-K1013 HydrophobicContact CG2-CD 3.87Å; I1011-K1013 HydrophobicContact CG2-CG 3.51Å
1014	N	31.8	Very low	32.3	Very low	147 Å²	147	133.8 Å²	133.8	79%	0.786	70%	0.7	S	S	*	*	S	Bend	trans	148.2	116.8	131.8	-75.3	-52.3	0	0	0	109
1015	K	29.3	Very low	32.5	Very low	135 Å²	135	134.7 Å²	134.7	59%	0.587	70%	0.7	S	S	*	*			cis	-173.8	124.6	4.9	-176.2	-171.4	-175.4	-168.7	0	107.3	E1017	K1015-E1017 HydrophobicContact CD-CB 4.25Å; K1015-E1017 WeakPolarHBondContact CE-OE1 3.45Å; K1015-E1017 WeakPolarHBondContact CE-OE2 3.35Å; K1015-E1017 HydrophobicContact CG-CB 3.86Å; K1015-E1017 IonicContact NZ-OE1 3.13Å; K1015-E1017 PolarHBondContact NZ-OE1 3.43Å; K1015-E1017 IonicContact NZ-OE2 3.74Å; K1015-E1017 PolarHBondContact NZ-OE2 3.14Å
1016	L	32.9	Very low	32.6	Very low	74 Å²	74	137 Å²	137	39%	0.387	70%	0.704	S	S	.	*			cis	61.4	81	8.5	-133.9	170.5	0	0	0	115.4	E1010 I1011 D1019	E1010-L1016 VanDerWaalsContact OE2-CD1 3.28Å; E1010-L1016 WeakPolarHBondContact OE2-CD1 3.25Å; I1011-L1016 HydrophobicContact CD1-CD1 4.27Å; I1011-L1016 HydrophobicContact CD1-CD2 4.04Å; I1011-L1016 HydrophobicContact CG1-CD1 4.23Å; L1016-D1019 WeakPolarHBondContact CD2-OD2 3.45Å
1017	E	27.4	Very low	33.1	Very low	152 Å²	152	134.2 Å²	134.2	71%	0.71	70%	0.698	S	S	*	*			trans	-162.2	50.4	166.8	-164.6	174.5	-90.2	0	0	110	K1015	K1015-E1017 HydrophobicContact CD-CB 4.25Å; K1015-E1017 WeakPolarHBondContact CE-OE1 3.45Å; K1015-E1017 WeakPolarHBondContact CE-OE2 3.35Å; K1015-E1017 HydrophobicContact CG-CB 3.86Å; K1015-E1017 IonicContact NZ-OE1 3.13Å; K1015-E1017 PolarHBondContact NZ-OE1 3.43Å; K1015-E1017 IonicContact NZ-OE2 3.74Å; K1015-E1017 PolarHBondContact NZ-OE2 3.14Å
1018	A	33.1	Very low	32.7	Very low	92 Å²	92	134.5 Å²	134.5	76%	0.76	70%	0.695	S	S	*	*	S	Bend	trans	-136.5	-34.1	178.9	0	0	0	0	0	113.2
1019	D	27.9	Very low	31.9	Very low	110 Å²	110	133.6 Å²	133.6	59%	0.588	69%	0.69	S	S	*	*	S	Bend	trans	-65.7	148.2	-175.3	-44.3	-75.2	0	0	0	113.8	L1016	L1016-D1019 WeakPolarHBondContact CD2-OD2 3.45Å
1020	V	31.3	Very low	31.8	Very low	135 Å²	135	132.8 Å²	132.8	82%	0.818	69%	0.687	S	S	*	*	S	Bend	trans	43.2	73.1	161.7	-170.1	0	0	0	0	114.4
1021	K	34.9	Very low	32	Very low	195 Å²	195	134 Å²	134	85%	0.848	69%	0.69	S	S	*	*			trans	-141.7	21	173.9	-143.7	-167.1	172.7	-176.9	0	117.5
1022	A	40	Very low	31.6	Very low	92 Å²	92	137.5 Å²	137.5	76%	0.76	71%	0.705	S	S	*	*			trans	-166.4	107.2	156.7	0	0	0	0	0	105.3
1023	L	25.9	Very low	31.6	Very low	139 Å²	139	133.9 Å²	133.9	73%	0.728	69%	0.688	S	S	*	*			cis	68	116.4	13.4	-126.3	-175.7	0	0	0	114.2
1024	N	34.3	Very low	31.2	Very low	126 Å²	126	135.2 Å²	135.2	67%	0.674	70%	0.696	S	S	*	*			trans	78	145.2	165.9	-114.1	47	0	0	0	119.7
1025	E	35.6	Very low	31.1	Very low	161 Å²	161	133 Å²	133	75%	0.752	69%	0.688	S	S	*	*			trans	59.5	90	157.8	-69.6	161.2	108.2	0	0	115.6
1026	K	29.7	Very low	31.8	Very low	191 Å²	191	133.4 Å²	133.4	83%	0.83	69%	0.689	S	S	*	*				50.6	127.8	80.6	-164.9	167.6	-172.9	161.2	0	113
1027	L	36.5	Very low	31.7	Very low	139 Å²	139	139.3 Å²	139.3	73%	0.728	71%	0.708	S	S	*	*			trans	74.6	103.8	177.8	-64.7	143	0	0	0	116
1028	Q	25	Very low	31.6	Very low	155 Å²	155	138.2 Å²	138.2	72%	0.724	71%	0.707	S	S	*	*				40.7	135.2	107	-82.5	-172.8	-7.9	0	0	119
1029	I	30.4	Very low	31.2	Very low	131 Å²	131	141.6 Å²	141.6	67%	0.672	71%	0.707	S	S	*	*			trans	71.3	95.7	142.5	-61.8	167.5	0	0	0	115.5
1030	S	31.7	Very low	31.3	Very low	93 Å²	93	140.6 Å²	140.6	65%	0.65	71%	0.707	S	S	*	*				63.6	148.6	108.7	121.4	0	0	0	0	119.6
1031	K	32.8	Very low	31.3	Very low	161 Å²	161	143.9 Å²	143.9	70%	0.7	71%	0.71	S	S	*	*			cis	-168.3	141.4	-3.4	-117.5	164.7	175.6	173.6	0	108.1
1032	E	28.3	Very low	30.9	Very low	138 Å²	138	140.1 Å²	140.1	65%	0.645	71%	0.708	S	S	*	*			trans	56.9	-157.6	142.5	-51.7	163.8	121.8	0	0	117
1033	H	29.4	Very low	30.2	Very low	124 Å²	124	144 Å²	144	57%	0.574	71%	0.711	S	S	*	*			cis	-151.3	114.5	-4	-136.6	19.6	0	0	0	112.3
1034	H	27.7	Very low	30.5	Very low	150 Å²	150	145.6 Å²	145.6	69%	0.694	71%	0.711	S	S	*	*				65.8	-175.3	107.9	-153.3	-126.9	0	0	0	121.6	K1036	H1034-K1036 PolarHBondContact O-NZ 3.46Å
1035	V	30	Very low	30.1	Very low	101 Å²	101	146.5 Å²	146.5	61%	0.612	72%	0.715	S	S	*	*			trans	65.1	147.2	163.2	-133.6	0	0	0	0	119.6
1036	K	42.8	Very low	29.7	Very low	143 Å²	143	144.4 Å²	144.4	62%	0.622	71%	0.713	S	S	*	*				179.8	162.5	112.6	-93.5	145.2	-148.1	86.5	0	116.9	H1034	H1034-K1036 PolarHBondContact O-NZ 3.46Å
1037	Y	30.2	Very low	29.6	Very low	198 Å²	198	143.2 Å²	143.2	78%	0.776	71%	0.708	S	S	*	*			trans	97.3	119.4	162.1	-54.6	-56.7	0	0	0	115.9
1038	N	25.9	Very low	29.2	Very low	129 Å²	129	141.8 Å²	141.8	69%	0.69	70%	0.7	S	S	*	*	S	Bend	cis	-149	157.7	10.9	-83.3	-37.6	0	0	0	109.1
1039	E	24.6	Very low	29.2	Very low	163 Å²	163	141.3 Å²	141.3	76%	0.762	70%	0.697	S	S	*	*	S	Bend	cis	-170.4	172.9	-9.6	-117.7	-172.2	159.2	0	0	106.9
1040	P	29.9	Very low	28.9	Very low	89 Å²	89	140.3 Å²	140.3	58%	0.578	69%	0.693	S	S	*	*			cis	-133.4	151.6	-11.4	35.3	-18.3	0	0	0	114.7
1041	K	31.1	Very low	28.6	Very low	204 Å²	204	140.4 Å²	140.4	89%	0.887	69%	0.69	S	S	*	*				-175.9	133.6	109.1	-93.7	145.4	-163.8	161.6	0	111.9
1042	S	26.4	Very low	28.2	Very low	115 Å²	115	139.1 Å²	139.1	80%	0.804	69%	0.691	S	S	*	*			trans	-127	107.3	159.7	51.9	0	0	0	0	108.4
1043	E	26.6	Very low	28.2	Very low	175 Å²	175	139.5 Å²	139.5	82%	0.818	69%	0.693	S	S	*	*			trans	-167.1	143	158	-125.9	-174	-142.7	0	0	111.7
1044	K	31.7	Very low	28.2	Very low	172 Å²	172	140.7 Å²	140.7	75%	0.748	70%	0.703	S	S	*	*			trans	74.1	141.4	-179.9	-54.9	176.6	-173.8	167.1	0	114.6
1045	I	26.4	Very low	28.3	Very low	144 Å²	144	142.4 Å²	142.4	74%	0.738	70%	0.704	S	S	*	*			cis	79.1	124.4	31.9	-59.2	166.5	0	0	0	112.1
1046	T	27.1	Very low	28.2	Very low	117 Å²	117	143.1 Å²	143.1	72%	0.718	71%	0.705	S	S	*	*			trans	63.4	137.5	176.8	54.9	0	0	0	0	114.3
1047	K	27.8	Very low	27.5	Very low	166 Å²	166	141.9 Å²	141.9	72%	0.722	70%	0.704	S	S	*	*			cis	-177.7	157	-3.1	-125.4	176	153.9	-139	0	108.4
1048	I	26.6	Very low	27.4	Very low	109 Å²	109	137.1 Å²	137.1	56%	0.559	69%	0.692	S	S	*	*			trans	69.3	117.6	143.3	-76	173.1	0	0	0	114
1049	Q	26.2	Very low	27.7	Very low	145 Å²	145	139.6 Å²	139.6	68%	0.678	70%	0.699	S	S	*	*				64.1	139.9	79.3	-79.1	-171.6	-96.1	0	0	112.4
1050	N	24.4	Very low	27.8	Very low	110 Å²	110	136.6 Å²	136.6	59%	0.588	69%	0.688	S	S	*	*			trans	67.6	117.2	138.2	-77	75	0	0	0	118
1051	T	24.8	Very low	27.5	Very low	95 Å²	95	138.4 Å²	138.4	58%	0.583	69%	0.693	S	S	*	*				67.9	149	91.7	70.2	0	0	0	0	112.8
1052	D	24.9	Very low	27.5	Very low	134 Å²	134	134.6 Å²	134.6	72%	0.717	68%	0.683	S	S	*	*			trans	70.8	133.3	165.1	-41	-45.7	0	0	0	113.2
1053	E	27.3	Very low	27.7	Very low	146 Å²	146	134.8 Å²	134.8	68%	0.682	67%	0.674	S	S	*	*			cis	-136.5	156.4	5.5	-112.4	144.2	-166.8	0	0	105.7
1054	L	30.1	Very low	28.4	Very low	149 Å²	149	132.9 Å²	132.9	78%	0.78	67%	0.67	S	S	*	*				24.9	125	101.4	-65.3	162.6	0	0	0	112.5
1055	Y	29.6	Very low	28.4	Very low	187 Å²	187	128.3 Å²	128.3	73%	0.733	66%	0.66	S	S	*	*				-164.3	141.8	106.6	-107.4	-57.3	0	0	0	112.2
1056	D	27.7	Very low	28.6	Very low	115 Å²	115	127.2 Å²	127.2	62%	0.615	66%	0.655	S	S	*	*			trans	64.9	114.6	139.9	-77.2	-14.4	0	0	0	117.1
1057	I	28.6	Very low	28.6	Very low	117 Å²	117	127.6 Å²	127.6	60%	0.6	65%	0.653	S	S	*	*				106.8	122.2	111.9	-82	173.6	0	0	0	114.7
1058	D	27.3	Very low	28.6	Very low	99 Å²	99	126.3 Å²	126.3	53%	0.529	65%	0.654	S	S	.	*				21.8	122.3	123.9	-4.8	-34.8	0	0	0	114.1
1059	E	32.9	Very low	28.8	Very low	180 Å²	180	127.7 Å²	127.7	84%	0.841	66%	0.662	S	S	*	*			cis	-113.1	125.8	29	-78.1	128.3	-161.8	0	0	110.1
1060	D	25.5	Very low	28.9	Very low	101 Å²	101	127 Å²	127	54%	0.54	66%	0.663	S	S	.	*				64.4	131.2	64.6	-63.2	-17	0	0	0	109.7
1061	D	25.3	Very low	29.2	Very low	126 Å²	126	127.9 Å²	127.9	67%	0.674	67%	0.668	S	S	*	*			trans	58.9	147.5	142.2	-47.8	-12	0	0	0	116.7
1062	N	30.4	Very low	29.4	Very low	125 Å²	125	129.1 Å²	129.1	67%	0.668	67%	0.671	S	S	*	*			cis	-150	148.5	39.7	-69.7	-113.5	0	0	0	107.8
1063	D	30.5	Very low	29.7	Very low	118 Å²	118	128.7 Å²	128.7	63%	0.631	67%	0.669	S	S	*	*				39.2	120.8	114.2	-35.8	-6.1	0	0	0	114.5
1064	D	41.6	Very low	29.9	Very low	136 Å²	136	127.8 Å²	127.8	73%	0.727	67%	0.669	S	S	*	*			cis	-142.6	156.7	30.7	-80.6	-60.9	0	0	0	110
1065	S	30.8	Very low	30	Very low	76 Å²	76	127.2 Å²	127.2	53%	0.531	67%	0.666	S	S	.	*			cis	69.9	140.9	40.5	104.8	0	0	0	0	112.5
1066	N	30.9	Very low	30.4	Very low	121 Å²	121	125.3 Å²	125.3	65%	0.647	67%	0.669	S	S	*	*			cis	-123.8	-170.5	6.3	-57.2	-92.8	0	0	0	109.9
1067	D	27.6	Very low	30.7	Very low	125 Å²	125	127.5 Å²	127.5	67%	0.668	68%	0.681	S	S	*	*				35	109.6	85.9	-35.3	-16.8	0	0	0	110.6
1068	D	28.6	Very low	31	Very low	139 Å²	139	129.3 Å²	129.3	74%	0.743	69%	0.692	S	S	*	*				84	146.8	89.6	-65.1	-18.2	0	0	0	111.9
1069	D	29	Very low	31.5	Very low	137 Å²	137	127.4 Å²	127.4	73%	0.733	70%	0.695	S	S	*	*			trans	66.7	128	159.8	-57.5	-14.5	0	0	0	119.6
1070	D	29.3	Very low	31.7	Very low	130 Å²	130	125.7 Å²	125.7	70%	0.695	69%	0.692	S	S	*	*			trans	72.5	131.6	133.4	-61.5	-0.5	0	0	0	121.8
1071	D	30.2	Very low	32	Very low	129 Å²	129	128.6 Å²	128.6	69%	0.69	70%	0.7	S	S	*	*			trans	64.3	141.3	137.9	-54.8	3.9	0	0	0	119.6
1072	D	30.3	Very low	32.1	Very low	122 Å²	122	129.4 Å²	129.4	65%	0.652	70%	0.704	S	S	*	*			cis	-174.6	169.1	-7.6	-107.2	-17.1	0	0	0	107.9
1073	D	30.9	Very low	32	Very low	125 Å²	125	131 Å²	131	67%	0.668	71%	0.708	S	S	*	*			trans	54.4	134.9	139.9	-67.8	-6.8	0	0	0	123.6
1074	D	31.4	Very low	32	Very low	127 Å²	127	133.6 Å²	133.6	68%	0.679	72%	0.716	S	S	*	*			trans	77.4	110.4	130.8	-70	1.8	0	0	0	122.5
1075	D	31.4	Very low	31.3	Very low	136 Å²	136	132.7 Å²	132.7	73%	0.727	71%	0.711	S	S	*	*				84.4	133.3	118	-79.1	-5.8	0	0	0	123.5
1076	D	37.2	Very low	31.2	Very low	148 Å²	148	136.1 Å²	136.1	79%	0.791	72%	0.723	S	S	*	*			trans	45.4	92.4	138.8	-83.3	-10.6	0	0	0	120
1077	D	34	Very low	31.2	Very low	161 Å²	161	136.8 Å²	136.8	86%	0.861	73%	0.725	S	S	*	*				-174.7	123.7	114.7	-114.3	-27.8	0	0	0	110.7
1078	D	35.3	Very low	31.3	Very low	154 Å²	154	136.6 Å²	136.6	82%	0.824	72%	0.724	S	S	*	*				166.8	-166	101.2	-141.3	-33.9	0	0	0	110.7
1079	G	38.8	Very low	31.5	Very low	59 Å²	59	135.8 Å²	135.8	61%	0.608	72%	0.72	S	S	*	*			trans	116.1	14.4	137	0	0	0	0	0	121.7	K1081	G1079-K1081 PolarHBondContact O-N 3.41Å
1080	N	35.9	Very low	31.5	Very low	144 Å²	144	136 Å²	136	77%	0.77	72%	0.721	S	S	*	*			trans	34.2	79	150.3	-169.2	106.5	0	0	0	117.1
1081	K	32.2	Very low	31.5	Very low	162 Å²	162	138.7 Å²	138.7	70%	0.704	73%	0.729	S	S	*	*				64.7	146.6	73	-61.5	-178.4	166.5	58.2	0	116.9	G1079	G1079-K1081 PolarHBondContact O-N 3.41Å
1082	D	28.8	Very low	31.3	Very low	143 Å²	143	141.2 Å²	141.2	77%	0.765	74%	0.737	S	S	*	*			trans	69.9	120.1	166.3	-54.2	-20	0	0	0	117.2
1083	H	26.9	Very low	31.2	Very low	160 Å²	160	142.1 Å²	142.1	74%	0.741	74%	0.742	S	S	*	*			trans	66.8	167.1	159.5	-77.5	-65.9	0	0	0	116.6
1084	E	31	Very low	31.3	Very low	171 Å²	171	143.7 Å²	143.7	80%	0.799	75%	0.745	S	S	*	*			cis	-129.7	170.4	11.5	-139.7	135.4	-107.5	0	0	112
1085	D	27.5	Very low	31.2	Very low	117 Å²	117	144.3 Å²	144.3	63%	0.626	75%	0.749	S	S	*	*			trans	-72.4	135.9	-178	-40.6	-105.1	0	0	0	111.6
1086	D	28	Very low	31	Very low	148 Å²	148	144.1 Å²	144.1	79%	0.791	74%	0.744	S	S	*	*	S	Bend	trans	56.6	-163.4	168.6	-46.9	-41.8	0	0	0	115.5
1087	I	31.7	Very low	30.9	Very low	136 Å²	136	143.3 Å²	143.3	70%	0.697	73%	0.733	S	S	*	*			trans	69.4	128.5	147.5	-72.5	161.4	0	0	0	117.8
1088	D	29.9	Very low	30.8	Very low	120 Å²	120	139.3 Å²	139.3	64%	0.642	71%	0.711	S	S	*	*			cis	-167.2	166.6	-2.4	-105.2	-9.1	0	0	0	109.3
1089	D	31.3	Very low	30.6	Very low	122 Å²	122	135.4 Å²	135.4	65%	0.652	70%	0.7	S	S	*	*			trans	57.4	105.2	144.3	-59.3	1.7	0	0	0	122.2
1090	D	30	Very low	30.3	Very low	142 Å²	142	138.5 Å²	138.5	76%	0.759	70%	0.703	S	S	*	*				63.8	154.7	107.2	-58.3	-9.8	0	0	0	124.2
1091	Q	27.9	Very low	29.9	Very low	186 Å²	186	133.8 Å²	133.8	87%	0.869	68%	0.677	S	S	*	*			trans	-127.9	79.7	169.2	-84	-65.4	-83.8	0	0	113.1
1092	E	27.1	Very low	30.2	Very low	182 Å²	182	137 Å²	137	85%	0.85	69%	0.687	S	S	*	*			trans	-124.9	143.5	143.5	-59.9	-166.4	142.8	0	0	106.1
1093	D	29	Very low	30.4	Very low	141 Å²	141	134 Å²	134	75%	0.754	68%	0.677	S	S	*	*			cis	-168.3	175.4	36.3	-158.5	-7.8	0	0	0	112.1
1094	E	31.8	Very low	30.5	Very low	158 Å²	158	134 Å²	134	74%	0.738	68%	0.683	S	S	*	*			trans	56.3	102.8	159.7	-68.3	-160.1	164	0	0	124.1
1095	N	28.8	Very low	30.3	Very low	141 Å²	141	129.4 Å²	129.4	75%	0.754	66%	0.663	S	S	*	*				55.1	112.2	116.1	-80.6	-60.6	0	0	0	125
1096	E	28.2	Very low	30.2	Very low	132 Å²	132	129.9 Å²	129.9	62%	0.617	67%	0.666	S	S	*	*				79	146.6	120	-132.3	-157.2	-179	0	0	123.9
1097	K	35	Very low	30.1	Very low	131 Å²	131	126.7 Å²	126.7	57%	0.57	65%	0.649	S	S	*	*			trans	77.9	96.2	163.2	-74.3	170.3	169.7	65	0	120.1
1098	L	32.1	Very low	29.8	Very low	76 Å²	76	123.9 Å²	123.9	40%	0.398	63%	0.632	S	S	.	*				61.7	101.7	88.7	-79	76.4	0	0	0	116.1	K1108	L1098-K1108 HydrophobicContact CB-CG 4.06Å; L1098-K1108 HydrophobicContact CD2-CB 3.6Å; L1098-K1108 HydrophobicContact CD2-CD 4.23Å; L1098-K1108 HydrophobicContact CD2-CG 3.68Å; L1098-K1108 HydrophobicContact CG-CB 3.86Å; L1098-K1108 HydrophobicContact CG-CG 3.68Å
1099	A	31.2	Very low	29.9	Very low	72 Å²	72	125.2 Å²	125.2	60%	0.595	63%	0.634	S	S	*	*				163.2	141.3	118	0	0	0	0	0	118.1
1100	D	32.5	Very low	29.7	Very low	124 Å²	124	122.8 Å²	122.8	66%	0.663	62%	0.621	S	S	*	*			trans	67.4	88.5	147.8	-66.2	20.3	0	0	0	115.9	D1107 K1108	D1100-D1107 PolarHBondContact N-OD1 3.05Å; D1100-K1108 IonicContact OD1-NZ 3.57Å; D1100-K1108 PolarHBondContact OD1-NZ 2.68Å
1101	N	27.2	Very low	29.5	Very low	45 Å²	45	122 Å²	122	24%	0.241	62%	0.622	C	S	.	*				70.3	90.7	71.6	-69.3	-2.8	0	0	0	117	D1105 N1106 D1107	N1101-D1105 WeakPolarHBondContact CA-OD1 3.25Å; N1101-D1105 HydrophobicContact CB-CB 4.2Å; N1101-D1105 WeakPolarHBondContact OD1-CB 3.39Å; N1101-D1105 PolarHBondContact OD1-OD1 3.09Å; N1101-N1106 PolarHBondContact ND2-O 2.96Å; N1101-N1106 WeakPolarHBondContact OD1-CA 3.24Å; N1101-N1106 WeakPolarHBondContact OD1-CB 3.04Å; N1101-N1106 PolarHBondContact OD1-N 3.15Å; N1101-N1106 PolarHBondContact OD1-O 2.8Å; N1101-N1106 VanDerWaalsContact OD1-O 3.1Å; N1101-D1107 PolarHBondContact ND2-OD2 3.08Å
1102	Y	37.6	Very low	30.2	Very low	229 Å²	229	120.3 Å²	120.3	90%	0.898	62%	0.618	S	S	*	*	S	Bend	trans	-171.7	117.4	153.3	-101.2	-69.5	0	0	0	109.5	D1105	Y1102-D1105 WeakPolarHBondContact CA-OD1 3.21Å; Y1102-D1105 PolarHBondContact N-OD1 3.17Å
1103	S	34.3	Very low	31.3	Very low	80 Å²	80	120.2 Å²	120.2	56%	0.559	62%	0.615	S	S	*	*	S	Bend	cis	-153.9	137.6	-32.1	-88.3	0	0	0	0	108.5	D1105	S1103-D1105 VanDerWaalsContact CA-OD1 3.3Å; S1103-D1105 WeakPolarHBondContact CA-OD1 3.18Å; S1103-D1105 WeakPolarHBondContact CA-OD2 3.01Å; S1103-D1105 WeakPolarHBondContact CB-OD2 3.22Å; S1103-D1105 PolarHBondContact OG-OD2 3.45Å
1104	N	27.6	Very low	32.1	Very low	161 Å²	161	119.5 Å²	119.5	86%	0.861	62%	0.615	S	S	*	*	S	Bend	cis	-124.3	155.9	6.2	-51.7	-66.8	0	0	0	111.9
1105	D	26.7	Very low	32.1	Very low	74 Å²	74	119.8 Å²	119.8	40%	0.396	62%	0.621	S	S	.	*				-163.3	142.9	-61.3	-102.4	-17.8	0	0	0	109	N1101 Y1102 S1103	N1101-D1105 WeakPolarHBondContact CA-OD1 3.25Å; N1101-D1105 HydrophobicContact CB-CB 4.2Å; N1101-D1105 WeakPolarHBondContact OD1-CB 3.39Å; N1101-D1105 PolarHBondContact OD1-OD1 3.09Å; Y1102-D1105 WeakPolarHBondContact CA-OD1 3.21Å; Y1102-D1105 PolarHBondContact N-OD1 3.17Å; S1103-D1105 VanDerWaalsContact CA-OD1 3.3Å; S1103-D1105 WeakPolarHBondContact CA-OD1 3.18Å; S1103-D1105 WeakPolarHBondContact CA-OD2 3.01Å; S1103-D1105 WeakPolarHBondContact CB-OD2 3.22Å; S1103-D1105 PolarHBondContact OG-OD2 3.45Å
1106	N	26.4	Very low	32.1	Very low	127 Å²	127	122.5 Å²	122.5	68%	0.679	63%	0.626	S	S	*	*			trans	-75.6	176.9	-177.1	-52.6	-77.8	0	0	0	112.1	N1101	N1101-N1106 PolarHBondContact ND2-O 2.96Å; N1101-N1106 WeakPolarHBondContact OD1-CA 3.24Å; N1101-N1106 WeakPolarHBondContact OD1-CB 3.04Å; N1101-N1106 PolarHBondContact OD1-N 3.15Å; N1101-N1106 PolarHBondContact OD1-O 2.8Å; N1101-N1106 VanDerWaalsContact OD1-O 3.1Å
1107	D	25.5	Very low	32.6	Very low	81 Å²	81	122.3 Å²	122.3	43%	0.433	64%	0.636	S	S	.	*				167.6	118.1	122.2	-97.1	-21	0	0	0	115	D1100 N1101	D1100-D1107 PolarHBondContact N-OD1 3.05Å; N1101-D1107 PolarHBondContact ND2-OD2 3.08Å
1108	K	25	Very low	32.4	Very low	77 Å²	77	119.3 Å²	119.3	34%	0.335	64%	0.642	S	S	.	*				74.6	148.6	129.8	-56.6	175.1	171.4	80.4	0	122.1	L1098 D1100	L1098-K1108 HydrophobicContact CB-CG 4.06Å; L1098-K1108 HydrophobicContact CD2-CB 3.6Å; L1098-K1108 HydrophobicContact CD2-CD 4.23Å; L1098-K1108 HydrophobicContact CD2-CG 3.68Å; L1098-K1108 HydrophobicContact CG-CB 3.86Å; L1098-K1108 HydrophobicContact CG-CG 3.68Å; D1100-K1108 IonicContact OD1-NZ 3.57Å; D1100-K1108 PolarHBondContact OD1-NZ 2.68Å
1109	H	33.3	Very low	32.4	Very low	149 Å²	149	126.1 Å²	126.1	69%	0.69	66%	0.664	S	S	*	*			trans	83.8	153.2	165.3	-63.9	-56.9	0	0	0	117.6
1110	D	26.3	Very low	32.6	Very low	71 Å²	71	130.5 Å²	130.5	38%	0.38	67%	0.67	S	S	.	*			cis	164.2	140.1	-32.3	-98.7	-18	0	0	0	106.9
1111	T	26.8	Very low	32.8	Very low	126 Å²	126	131 Å²	131	77%	0.773	67%	0.666	S	S	*	*			trans	66.3	133.8	160.2	58.6	0	0	0	0	120.7
1112	N	42.6	Very low	33.4	Very low	149 Å²	149	132.2 Å²	132.2	80%	0.797	68%	0.678	S	S	*	*	S	Bend	trans	-51.3	160.5	163.1	-129.6	-25.7	0	0	0	112.2
1113	K	49.2	Very low	33.2	Very low	181 Å²	181	127.8 Å²	127.8	79%	0.787	67%	0.669	S	S	*	*	S	Bend	trans	81.2	26.5	-175.8	-151.2	-177.8	-157.8	143.8	0	115.9
1114	V	44.9	Very low	33.1	Very low	125 Å²	125	131 Å²	131	76%	0.758	68%	0.675	S	S	*	*			trans	-121.2	142	154.5	173.9	0	0	0	0	108.4
1115	L	31.8	Very low	33	Very low	164 Å²	164	130.7 Å²	130.7	86%	0.859	67%	0.673	S	S	*	*			trans	-84.7	128.4	175.5	-44.4	88.7	0	0	0	109.8
1116	K	28.9	Very low	33.2	Very low	199 Å²	199	129.8 Å²	129.8	87%	0.865	68%	0.681	S	S	*	*				176.9	162.6	127.5	-101.7	-171	168.7	-143.6	0	112.9
1117	P	39.4	Very low	33.3	Very low	128 Å²	128	132.5 Å²	132.5	83%	0.831	69%	0.69	S	S	*	*			trans	-108.3	166.2	-173.5	41.1	-34.2	0	0	0	115
1118	G	30.2	Very low	33.8	Very low	67 Å²	67	133.5 Å²	133.5	69%	0.691	70%	0.701	S	S	*	*			trans	-171.7	133.2	155.7	0	0	0	0	0	107.5
1119	Y	33.8	Very low	34	Very low	219 Å²	219	136 Å²	136	86%	0.859	73%	0.725	S	S	*	*				86.5	114.2	54.7	-106.9	-110.6	0	0	0	114.7
1120	K	33.9	Very low	33.8	Very low	164 Å²	164	134.4 Å²	134.4	71%	0.713	72%	0.72	S	S	*	*			trans	61.1	149	152.2	-69.6	-167.4	167.1	-167.4	0	118.7
1121	K	38.3	Very low	33.8	Very low	134 Å²	134	137.8 Å²	137.8	58%	0.583	73%	0.734	S	S	*	*			cis	-138.6	148.3	-20.7	-106.7	-140.2	163.4	-174.4	0	105.3	I1123	K1121-I1123 HydrophobicContact CD-CD1 4.24Å; K1121-I1123 HydrophobicContact CD-CG1 3.78Å
1122	S	39	Very low	33.8	Very low	71 Å²	71	138.9 Å²	138.9	50%	0.497	73%	0.728	S	S	.	*			cis	69.9	150.2	46.4	-42.2	0	0	0	0	111.2	Q1124	S1122-Q1124 VanDerWaalsContact CB-OE1 3.25Å; S1122-Q1124 PolarHBondContact OG-OE1 3.05Å
1123	I	33.2	Very low	33.1	Very low	136 Å²	136	136.9 Å²	136.9	70%	0.697	72%	0.721	S	S	*	*			cis	-134.1	157.5	28.1	-41.7	169.5	0	0	0	110.8	K1121	K1121-I1123 HydrophobicContact CD-CD1 4.24Å; K1121-I1123 HydrophobicContact CD-CG1 3.78Å
1124	Q	31.5	Very low	32.1	Very low	149 Å²	149	133.6 Å²	133.6	70%	0.696	72%	0.716	S	S	*	*				-159.4	132.2	-64.1	-144.8	168.4	-90	0	0	108.5	S1122	S1122-Q1124 VanDerWaalsContact CB-OE1 3.25Å; S1122-Q1124 PolarHBondContact OG-OE1 3.05Å
1125	N	26	Very low	31.5	Very low	153 Å²	153	132.8 Å²	132.8	82%	0.818	71%	0.707	S	S	*	*			trans	-107.7	151.4	-174.4	-61.2	27.2	0	0	0	113.5
1126	G	30.2	Very low	31.5	Very low	55 Å²	55	132.3 Å²	132.3	57%	0.567	70%	0.699	S	S	*	*			trans	86.9	153.5	148	0	0	0	0	0	116.6
1127	Q	28.4	Very low	31.7	Very low	185 Å²	185	130.6 Å²	130.6	86%	0.864	69%	0.691	S	S	*	*			cis	-155	169.3	13	-61.3	-179.8	-114.2	0	0	110
1128	P	37.3	Very low	31.4	Very low	102 Å²	102	130.9 Å²	130.9	66%	0.662	69%	0.685	S	S	*	*	S	Bend	cis	-122.7	-167.9	-2.4	42.2	-27.1	0	0	0	112.4
1129	P	28.2	Very low	31.4	Very low	128 Å²	128	131.9 Å²	131.9	83%	0.831	68%	0.681	S	S	*	*	S	Bend	cis	-110	92	-24.7	33.8	-18	0	0	0	110.5
1130	I	29.7	Very low	31.1	Very low	116 Å²	116	127.1 Å²	127.1	60%	0.595	67%	0.67	S	S	*	*			trans	-90.7	119.5	-162.6	-66.2	172.8	0	0	0	111.9
1131	H	27.1	Very low	30.8	Very low	143 Å²	143	125.9 Å²	125.9	66%	0.662	67%	0.672	S	S	*	*				39.9	158.3	117.9	-95.1	-25.3	0	0	0	119.4
1132	K	26.8	Very low	30.3	Very low	149 Å²	149	127 Å²	127	65%	0.648	68%	0.684	S	S	*	*			cis	-163.3	140.4	23.1	-140.4	143	179.7	141.7	0	110
1133	T	28.1	Very low	29.9	Very low	106 Å²	106	129.4 Å²	129.4	65%	0.65	70%	0.695	S	S	*	*			trans	47.1	153.8	137.6	61.3	0	0	0	0	123.1
1134	T	28.2	Very low	29.6	Very low	112 Å²	112	131.5 Å²	131.5	69%	0.687	70%	0.702	S	S	*	*				159.4	157	112.9	45.8	0	0	0	0	110.8
1135	N	32.1	Very low	29.3	Very low	108 Å²	108	130.2 Å²	130.2	58%	0.578	70%	0.7	S	S	*	*			cis	-162	143.8	23.3	-123.2	-15.3	0	0	0	110.8
1136	K	31.9	Very low	29.4	Very low	155 Å²	155	131.7 Å²	131.7	67%	0.674	70%	0.696	S	S	*	*				47.1	148.3	121.3	-65.1	-177	-178.9	84.4	0	119.3
1137	K	33.3	Very low	29.1	Very low	162 Å²	162	135.1 Å²	135.1	70%	0.704	70%	0.701	S	S	*	*			cis	-178.8	-164.2	3.9	-111.4	-178.1	-177.5	-151.7	0	106.1
1138	L	32.2	Very low	29.1	Very low	134 Å²	134	136.6 Å²	136.6	70%	0.702	70%	0.7	S	S	*	*			cis	-139.8	128.2	6.4	-99.2	101.9	0	0	0	104.7
1139	S	29.4	Very low	28.9	Very low	88 Å²	88	138.8 Å²	138.8	62%	0.615	71%	0.706	S	S	*	*				61.6	153.4	90.5	79.5	0	0	0	0	115
1140	N	28.5	Very low	28.8	Very low	119 Å²	119	139.4 Å²	139.4	64%	0.636	70%	0.703	S	S	*	*				-164.1	167.1	80.8	-126	61.6	0	0	0	113.3
1141	D	28.2	Very low	28.7	Very low	139 Å²	139	137.7 Å²	137.7	74%	0.743	70%	0.701	S	S	*	*			trans	82.4	67.7	159.4	-48	-29.2	0	0	0	117
1142	D	26.6	Very low	28.6	Very low	157 Å²	157	137 Å²	137	84%	0.84	70%	0.702	S	S	*	*			trans	-63.1	148.4	139.5	-59.1	-65.7	0	0	0	110.1
1143	V	31	Very low	28.6	Very low	121 Å²	121	136.1 Å²	136.1	73%	0.733	71%	0.705	S	S	*	*			trans	47	111.5	159	-175.5	0	0	0	0	118.4
1144	E	27.6	Very low	28.6	Very low	180 Å²	180	137.6 Å²	137.6	84%	0.841	71%	0.709	S	S	*	*			trans	-127	125.1	133.9	-80.9	-166.3	160.7	0	0	108.5
1145	D	25.3	Very low	28.7	Very low	123 Å²	123	138.2 Å²	138.2	66%	0.658	71%	0.708	S	S	*	*			trans	-59.2	172.9	165.3	-55.4	-82.9	0	0	0	111.9
1146	Y	26.4	Very low	28.6	Very low	183 Å²	183	139.3 Å²	139.3	72%	0.718	71%	0.714	S	S	*	*				177.9	121.7	114.2	-87.2	-56.7	0	0	0	110.4
1147	D	25.5	Very low	28.5	Very low	128 Å²	128	135.9 Å²	135.9	68%	0.684	72%	0.723	S	S	*	*			trans	52.4	130.4	132.9	-60.2	-4.9	0	0	0	118.9
1148	Y	27	Very low	28.5	Very low	216 Å²	216	134.2 Å²	134.2	85%	0.847	72%	0.721	S	S	*	*			cis	-173.4	170.4	32	-148	-124.5	0	0	0	111.6
1149	D	32.9	Very low	28.4	Very low	147 Å²	147	134.3 Å²	134.3	79%	0.786	72%	0.723	S	S	*	*			trans	-67.5	166	166.3	-96.7	-48.7	0	0	0	114.9
1150	D	27.2	Very low	28.6	Very low	141 Å²	141	136.1 Å²	136.1	75%	0.754	73%	0.725	S	S	*	*			trans	66.6	80.4	151	-154.6	29.6	0	0	0	119.5
1151	S	26.7	Very low	28.8	Very low	81 Å²	81	135 Å²	135	57%	0.566	72%	0.723	S	S	*	*				85.8	154	126.1	82.4	0	0	0	0	123.2
1152	N	25	Very low	29.1	Very low	128 Å²	128	134.8 Å²	134.8	68%	0.684	72%	0.722	S	S	*	*			trans	71.8	129.3	155.3	-63.8	-68.8	0	0	0	120.8
1153	D	26.6	Very low	29.5	Very low	131 Å²	131	135.1 Å²	135.1	70%	0.701	72%	0.718	S	S	*	*			trans	60.9	130.2	136.4	-62.5	-10.5	0	0	0	121.8
1154	D	29.3	Very low	29.6	Very low	136 Å²	136	136 Å²	136	73%	0.727	72%	0.724	S	S	*	*			trans	64.6	136.7	142.8	-59.2	-3.9	0	0	0	118.6
1155	D	30.5	Very low	29.9	Very low	126 Å²	126	130.5 Å²	130.5	67%	0.674	72%	0.715	S	S	*	*			cis	-169.8	173.9	1.6	-126	-19.5	0	0	0	109.9
1156	D	29.7	Very low	30.4	Very low	130 Å²	130	130.8 Å²	130.8	70%	0.695	72%	0.717	S	S	*	*			trans	42.4	93.1	148	-66.8	-19	0	0	0	119.8
1157	G	30.3	Very low	30.7	Very low	84 Å²	84	125.7 Å²	125.7	87%	0.866	70%	0.702	S	S	*	*			trans	-96.6	-24.5	170.1	0	0	0	0	0	117
1158	D	31.5	Very low	31.3	Very low	126 Å²	126	123.9 Å²	123.9	67%	0.674	69%	0.692	S	S	*	*			trans	58.2	124.5	175.2	-76.6	-9.4	0	0	0	121
1159	D	30.3	Very low	31.8	Very low	137 Å²	137	117.5 Å²	117.5	73%	0.733	67%	0.67	S	S	*	*			trans	59.9	142.2	138	-68.6	-15.7	0	0	0	120.9
1160	D	33.4	Very low	31.9	Very low	125 Å²	125	117 Å²	117	67%	0.668	67%	0.667	S	S	*	*			cis	-159.7	117.5	36.2	-142.5	-17.2	0	0	0	113.5
1161	T	34.7	Very low	32.2	Very low	97 Å²	97	117 Å²	117	60%	0.595	67%	0.667	S	S	*	*			trans	70.8	126	135.6	45.1	0	0	0	0	126.9
1162	D	33.2	Very low	32.5	Very low	134 Å²	134	120.3 Å²	120.3	72%	0.717	68%	0.679	S	S	*	*				75.2	144.4	126.1	-60.6	-6.2	0	0	0	122.3
1163	E	34.6	Very low	32.7	Very low	164 Å²	164	118.6 Å²	118.6	77%	0.766	67%	0.673	S	S	*	*			cis	-165.3	127.2	-4.3	-114.2	-175.3	158	0	0	112.5
1164	V	33.5	Very low	33.2	Very low	139 Å²	139	116.2 Å²	116.2	84%	0.842	66%	0.657	S	S	*	*			trans	59.9	121.9	131.2	179.9	0	0	0	0	124.4
1165	G	34.7	Very low	33.2	Very low	64 Å²	64	113.6 Å²	113.6	66%	0.66	64%	0.643	S	S	*	*				123.6	122.6	108	0	0	0	0	0	124.8
1166	D	34.6	Very low	33.3	Very low	130 Å²	130	113.5 Å²	113.5	70%	0.695	64%	0.639	S	S	*	*			trans	68.4	123.7	137.8	-60.1	-4	0	0	0	125.6
1167	D	33	Very low	33.3	Very low	75 Å²	75	111.7 Å²	111.7	40%	0.401	64%	0.636	S	S	.	*				91.9	123.5	128.2	-75.4	24.3	0	0	0	127.2	V1931	D1167-V1931 HydrophobicContact CB-CG2 4.46Å; D1167-V1931 VanDerWaalsContact CG-CG2 3.45Å; D1167-V1931 WeakPolarHBondContact OD1-CG2 3.16Å
1168	N	39.1	Very low	33.4	Very low	90 Å²	90	114.3 Å²	114.3	48%	0.481	63%	0.63	S	S	.	*			trans	92.7	158	140.4	-69.5	-53	0	0	0	126.6	K1188 I1189 D1190	N1168-K1188 PolarHBondContact N-O 3.18Å; N1168-I1189 PolarHBondContact OD1-O 2.88Å; N1168-D1190 PolarHBondContact OD1-N 2.86Å
1169	E	36.1	Very low	33.3	Very low	83 Å²	83	114.7 Å²	114.7	39%	0.388	63%	0.633	S	S	.	*			trans	-74.8	156.3	-172.3	-50.9	160.9	93.3	0	0	118.1	D1190 Q1191	E1169-D1190 VanDerWaalsContact OE2-CA 3.28Å; E1169-D1190 WeakPolarHBondContact OE2-CA 3.41Å; E1169-Q1191 PolarHBondContact OE2-N 3.06Å
1170	N	36.1	Very low	33.3	Very low	136 Å²	136	114.2 Å²	114.2	73%	0.727	63%	0.634	S	S	*	*			trans	28.6	136.2	156.1	-85.2	54.7	0	0	0	124.2
1171	D	34.1	Very low	33	Very low	140 Å²	140	114 Å²	114	75%	0.749	64%	0.638	S	S	*	*			trans	50.6	102.2	146.4	-50.7	-37.3	0	0	0	118.8
1172	D	32.5	Very low	32.8	Very low	152 Å²	152	114.1 Å²	114.1	81%	0.813	64%	0.643	S	S	*	*				-175.3	172.5	83.4	-149.2	-18.5	0	0	0	111.4
1173	V	29.9	Very low	32.5	Very low	92 Å²	92	115.2 Å²	115.2	56%	0.558	65%	0.648	S	S	*	*			trans	66.3	77.1	147.5	161.3	0	0	0	0	117.1
1174	H	35.5	Very low	32.4	Very low	81 Å²	81	116.7 Å²	116.7	38%	0.375	65%	0.652	S	S	.	*				106.5	120.9	126.6	-61.5	-20.3	0	0	0	122	Q1978 N1979 A1980	H1174-Q1978 VanDerWaalsContact CE1-CA 3.48Å; H1174-Q1978 WeakPolarHBondContact CE1-CA 3.38Å; H1174-Q1978 PolarHBondContact CE1-N 3.15Å; H1174-Q1978 VanDerWaalsContact CE1-N 3.31Å; H1174-Q1978 WeakPolarHBondContact NE2-CA 3.48Å; H1174-Q1978 PolarHBondContact NE2-N 3.01Å; H1174-N1979 VanDerWaalsContact CD2-C 3.41Å; H1174-N1979 WeakPolarHBondContact CD2-CA 3.08Å; H1174-A1980 HydrophobicContact CB-CB 3.76Å
1175	N	30.9	Very low	32.3	Very low	81 Å²	81	116.9 Å²	116.9	43%	0.433	64%	0.641	S	S	.	*				32.6	127.4	116	-81.7	-21.1	0	0	0	117.1	N1979 A1980	N1175-N1979 WeakPolarHBondContact CB-OD1 3.09Å; N1175-N1979 PolarHBondContact ND2-OD1 2.72Å; N1175-A1980 WeakPolarHBondContact O-CB 3.28Å
1176	Q	32.3	Very low	32	Very low	123 Å²	123	117.2 Å²	117.2	58%	0.575	63%	0.631	S	S	*	*			cis	-167.1	143.6	42.6	-137	165.3	4.5	0	0	111.2	N1979	Q1176-N1979 PolarHBondContact OE1-ND2 3.09Å
1177	S	29.5	Very low	32	Very low	92 Å²	92	113.3 Å²	113.3	64%	0.643	61%	0.614	S	S	*	*			trans	52.5	102.4	149.9	59.8	0	0	0	0	119.7
1178	N	31.9	Very low	32.1	Very low	139 Å²	139	110.3 Å²	110.3	74%	0.743	60%	0.597	S	S	*	*				131	140.3	105.2	-94	61.3	0	0	0	119.2
1179	D	30.1	Very low	31.9	Very low	135 Å²	135	107.2 Å²	107.2	72%	0.722	58%	0.58	S	S	*	*			trans	81.9	101	150.6	-58.7	-3.8	0	0	0	121
1180	V	29.8	Very low	31.8	Very low	126 Å²	126	105.1 Å²	105.1	76%	0.764	57%	0.572	S	S	*	*				94.5	107.2	124.1	172.6	0	0	0	0	121.2
1181	T	27.9	Very low	31.7	Very low	122 Å²	122	103.9 Å²	103.9	75%	0.748	56%	0.561	S	S	*	*			trans	66.5	124.7	145.4	58.7	0	0	0	0	125.1
1182	S	29.1	Very low	31.6	Very low	99 Å²	99	103.5 Å²	103.5	69%	0.692	56%	0.555	S	S	*	*			trans	74.2	115	132.3	64.8	0	0	0	0	125
1183	N	27.8	Very low	31.6	Very low	156 Å²	156	104 Å²	104	83%	0.834	55%	0.55	S	S	*	.			trans	88.5	125.4	132.4	-61.7	9.5	0	0	0	124.8
1184	K	31.3	Very low	31.7	Very low	195 Å²	195	104.4 Å²	104.4	85%	0.848	55%	0.549	S	S	*	.			trans	55.3	100.4	154.8	-66.8	-175.2	175.4	-178.8	0	122.1
1185	K	31.6	Very low	31.7	Very low	143 Å²	143	105 Å²	105	62%	0.622	55%	0.554	S	S	*	*			trans	71.6	160.3	150.4	-55.9	-176.8	-178.1	178.3	0	116.8	E1923	K1185-E1923 WeakPolarHBondContact CA-OE1 3.37Å
1186	V	29.6	Very low	31.4	Very low	72 Å²	72	105.8 Å²	105.8	44%	0.436	55%	0.554	S	S	.	*			cis	-159.1	170.9	-0.4	105.8	0	0	0	0	113.6	E1923 H1926	V1186-E1923 VanDerWaalsContact CA-OE1 3.24Å; V1186-E1923 WeakPolarHBondContact CA-OE1 3.35Å; V1186-E1923 HydrophobicContact CG2-CB 4.47Å; V1186-E1923 HydrophobicContact CG2-CG 4.37Å; V1186-E1923 PolarHBondContact N-OE1 3.18Å; V1186-H1926 HydrophobicContact CG1-CB 4.19Å; V1186-H1926 HydrophobicContact CG2-CB 3.64Å
1187	S	34.6	Very low	31.2	Very low	48 Å²	48	102.8 Å²	102.8	34%	0.336	54%	0.544	S	S	.	.			trans	-123.3	-159.7	-167.7	83.7	0	0	0	0	118.6	E1923 H1926 Q1927	S1187-E1923 PolarHBondContact OG-O 3.21Å; S1187-H1926 CarbonylContact C-O 3.55Å; S1187-Q1927 VanDerWaalsContact OG-CB 3.25Å; S1187-Q1927 WeakPolarHBondContact OG-CB 3.37Å; S1187-Q1927 VanDerWaalsContact OG-CG 3.31Å; S1187-Q1927 WeakPolarHBondContact OG-CG 3.41Å
1188	K	33.4	Very low	31	Very low	12 Å²	12	104.2 Å²	104.2	5%	0.052	55%	0.548	C	S	.	.			trans	-172.7	156.3	158.9	-92.4	137.9	-153.9	-146.9	0	119.6	N1168 H1926 Q1927 I1930	N1168-K1188 PolarHBondContact N-O 3.18Å; K1188-H1926 VanDerWaalsContact CE-CA 3.43Å; K1188-H1926 WeakPolarHBondContact CE-CD2 3.13Å; K1188-H1926 WeakPolarHBondContact CE-O 3.17Å; K1188-H1926 PolarHBondContact NZ-CD2 2.68Å; K1188-H1926 PolarHBondContact NZ-CE1 3.28Å; K1188-H1926 PolarHBondContact NZ-NE2 3.27Å; K1188-Q1927 CarbonylContact C-O 2.96Å; K1188-Q1927 VanDerWaalsContact CA-CG 3.43Å; K1188-Q1927 WeakPolarHBondContact CA-O 3.29Å; K1188-Q1927 VanDerWaalsContact CB-O 3.27Å; K1188-Q1927 WeakPolarHBondContact CB-O 3.47Å; K1188-Q1927 WeakPolarHBondContact CG-O 3.07Å; K1188-I1930 HydrophobicContact CB-CB 3.61Å; K1188-I1930 HydrophobicContact CB-CD1 4.02Å; K1188-I1930 HydrophobicContact CB-CG1 4.18Å; K1188-I1930 HydrophobicContact CD-CB 3.85Å; K1188-I1930 HydrophobicContact CD-CD1 3.4Å; K1188-I1930 HydrophobicContact CD-CG1 3.45Å; K1188-I1930 VanDerWaalsContact CD-CG1 3.45Å; K1188-I1930 HydrophobicContact CG-CB 3.88Å; K1188-I1930 HydrophobicContact CG-CD1 4.08Å; K1188-I1930 HydrophobicContact CG-CG1 4.08Å
1189	I	35.7	Very low	30.8	Very low	25 Å²	25	102.8 Å²	102.8	13%	0.128	55%	0.545	C	S	.	.			trans	-90.7	154.6	-138.4	-154.1	-156.9	0	0	0	126.4	N1168 Q1927 A1928 V1931 K1935	N1168-I1189 PolarHBondContact OD1-O 2.88Å; I1189-Q1927 HydrophobicContact CB-CG 3.88Å; I1189-Q1927 WeakPolarHBondContact CB-O 3.32Å; I1189-Q1927 HydrophobicContact CG1-CG 4.31Å; I1189-Q1927 WeakPolarHBondContact CG2-O 3.13Å; I1189-Q1927 PolarHBondContact N-O 3.18Å; I1189-A1928 HydrophobicContact CD1-CB 4.45Å; I1189-V1931 HydrophobicContact CG2-CB 4.05Å; I1189-V1931 WeakPolarHBondContact O-CB 3.28Å; I1189-V1931 WeakPolarHBondContact O-CG1 3.34Å; I1189-V1931 WeakPolarHBondContact O-CG2 3.26Å; I1189-K1935 PolarHBondContact O-NZ 2.59Å
1190	D	35	Very low	30.6	Very low	39 Å²	39	101.5 Å²	101.5	21%	0.209	54%	0.538	C	S	.	.			trans	76.3	118.9	140.9	-117.8	-4.3	0	0	0	119.3	N1168 E1169 K1935	N1168-D1190 PolarHBondContact OD1-N 2.86Å; E1169-D1190 VanDerWaalsContact OE2-CA 3.28Å; E1169-D1190 WeakPolarHBondContact OE2-CA 3.41Å; D1190-K1935 WeakPolarHBondContact O-CE 3.27Å; D1190-K1935 PolarHBondContact O-NZ 2.84Å
1191	Q	33.6	Very low	30.5	Very low	109 Å²	109	103.5 Å²	103.5	51%	0.509	54%	0.539	S	S	.	.			trans	102.8	89.9	134.5	-67.9	170	34.2	0	0	120.8	E1169	E1169-Q1191 PolarHBondContact OE2-N 3.06Å
1192	H	31.3	Very low	30.6	Very low	133 Å²	133	104.1 Å²	104.1	62%	0.616	53%	0.531	S	S	*	.				54.9	150.4	108.7	-71.3	-5.3	0	0	0	121.1
1193	K	32.4	Very low	30.5	Very low	162 Å²	162	106.4 Å²	106.4	70%	0.704	53%	0.531	S	S	*	.			cis	-167.2	144.7	1	-115.3	163.8	175.2	148.7	0	108.6
1194	N	33.1	Very low	30.7	Very low	101 Å²	101	105.6 Å²	105.6	54%	0.54	53%	0.527	S	S	.	.			trans	-173.4	176.5	168.8	-103.3	-9	0	0	0	114.7	D1961 F1962	N1194-D1961 HydrophobicContact CB-CB 3.99Å; N1194-D1961 VanDerWaalsContact CG-OD2 3.29Å; N1194-D1961 VanDerWaalsContact ND2-CG 3.34Å; N1194-D1961 PolarHBondContact ND2-OD2 2.95Å; N1194-F1962 WeakPolarHBondContact O-CD1 3.43Å; N1194-F1962 WeakPolarHBondContact O-CE1 3.43Å
1195	I	34.6	Very low	30.9	Very low	92 Å²	92	102.6 Å²	102.6	47%	0.472	52%	0.52	S	S	.	.			trans	90.4	91.5	172.8	-17.4	-167.3	0	0	0	126.7	F1960 D1961 F1962	I1195-F1960 HydrophobicContact CB-CD1 4.48Å; I1195-F1960 HydrophobicContact CD1-CD1 3.88Å; I1195-F1960 HydrophobicContact CD1-CE1 4.05Å; I1195-F1960 HydrophobicContact CG1-CD1 4.37Å; I1195-F1960 HydrophobicContact CG2-CD1 3.39Å; I1195-F1960 HydrophobicContact CG2-CE1 3.63Å; I1195-F1960 HydrophobicContact CG2-CG 4.47Å; I1195-D1961 VanDerWaalsContact CG1-OD1 3.28Å; I1195-D1961 WeakPolarHBondContact CG1-OD1 3.47Å; I1195-F1962 VanDerWaalsContact C-CE1 3.48Å; I1195-F1962 VanDerWaalsContact N-N 3.17Å; I1195-F1962 WeakPolarHBondContact O-CD1 3.46Å; I1195-F1962 WeakPolarHBondContact O-CE1 3.5Å; I1195-F1962 WeakPolarHBondContact O-CZ 3.24Å
1196	K	25.6	Very low	30.9	Very low	99 Å²	99	102.9 Å²	102.9	43%	0.43	52%	0.523	S	S	.	.			trans	-153.4	161.7	160	-125.5	-173.8	173.1	-167	0	112.1	D1961 F1962 N1963 D1964	K1196-D1961 CarbonylContact O-C 3.43Å; K1196-F1962 HydrophobicContact CB-CB 4.23Å; K1196-F1962 HydrophobicContact CB-CD2 3.25Å; K1196-F1962 HydrophobicContact CB-CE2 3.6Å; K1196-F1962 HydrophobicContact CB-CG 3.8Å; K1196-F1962 HydrophobicContact CB-CZ 4.49Å; K1196-F1962 HydrophobicContact CD-CD2 3.77Å; K1196-F1962 HydrophobicContact CD-CE2 3.67Å; K1196-F1962 HydrophobicContact CG-CD2 3.63Å; K1196-F1962 HydrophobicContact CG-CE2 3.44Å; K1196-F1962 VanDerWaalsContact CG-CE2 3.44Å; K1196-F1962 HydrophobicContact CG-CZ 4.37Å; K1196-N1963 VanDerWaalsContact CB-O 3.28Å; K1196-N1963 WeakPolarHBondContact CB-O 3.42Å; K1196-N1963 WeakPolarHBondContact CD-O 3.26Å; K1196-D1964 HydrophobicContact CD-CB 3.94Å; K1196-D1964 WeakPolarHBondContact CD-OD2 3.3Å; K1196-D1964 WeakPolarHBondContact CE-OD2 3.19Å; K1196-D1964 IonicContact NZ-OD2 2.61Å; K1196-D1964 PolarHBondContact NZ-OD2 3.4Å
1197	T	26.4	Very low	31	Very low	60 Å²	60	108.9 Å²	108.9	37%	0.368	54%	0.54	S	S	.	.			trans	55.6	133.5	155	-35.4	0	0	0	0	117.4	D1964	T1197-D1964 WeakPolarHBondContact CB-OD1 3.25Å; T1197-D1964 VanDerWaalsContact OG1-CG 3.23Å; T1197-D1964 PolarHBondContact OG1-OD1 3.22Å; T1197-D1964 PolarHBondContact OG1-OD2 3.29Å
1198	T	25.4	Very low	30.7	Very low	121 Å²	121	112.6 Å²	112.6	74%	0.742	56%	0.556	S	S	*	*			trans	73.1	148.3	175.1	84	0	0	0	0	114.9
1199	V	29.2	Very low	30.3	Very low	110 Å²	110	119.3 Å²	119.3	67%	0.667	59%	0.587	S	S	*	*			cis	-144.8	158.7	9.5	79.5	0	0	0	0	112.4
1200	D	25.2	Very low	29.7	Very low	107 Å²	107	123.7 Å²	123.7	57%	0.572	62%	0.615	S	S	*	*			trans	-41.6	162.2	165.7	-43	-93.8	0	0	0	114	F1202	D1200-F1202 HydrophobicContact CB-CD2 4.23Å; D1200-F1202 HydrophobicContact CB-CE1 4.46Å; D1200-F1202 HydrophobicContact CB-CE2 4.08Å; D1200-F1202 HydrophobicContact CB-CG 4.45Å; D1200-F1202 HydrophobicContact CB-CZ 4.19Å
1201	Q	28.2	Very low	29.2	Very low	169 Å²	169	128.7 Å²	128.7	79%	0.79	64%	0.642	S	S	*	*				-135.7	116.4	119.8	-70.5	-136.1	-66.1	0	0	107.2
1202	F	28.9	Very low	28.8	Very low	135 Å²	135	130.4 Å²	130.4	59%	0.592	66%	0.655	S	S	*	*				66.6	142.1	73.6	-65.4	-48.9	0	0	0	112.1	D1200	D1200-F1202 HydrophobicContact CB-CD2 4.23Å; D1200-F1202 HydrophobicContact CB-CE1 4.46Å; D1200-F1202 HydrophobicContact CB-CE2 4.08Å; D1200-F1202 HydrophobicContact CB-CG 4.45Å; D1200-F1202 HydrophobicContact CB-CZ 4.19Å
1203	E	27.8	Very low	28.4	Very low	146 Å²	146	128.9 Å²	128.9	68%	0.682	66%	0.659	S	S	*	*			cis	-133.8	170	3.3	-101.6	126.9	-152.1	0	0	106.7
1204	D	32.3	Very low	28.9	Very low	139 Å²	139	128.9 Å²	128.9	74%	0.743	67%	0.667	S	S	*	*				-151	127.5	59.2	-67.1	-22.7	0	0	0	112.6
1205	D	34.6	Very low	28.8	Very low	133 Å²	133	128.8 Å²	128.8	71%	0.711	67%	0.672	S	S	*	*				68.9	149.4	127.4	-60.3	-2.1	0	0	0	124.1
1206	E	33.3	Very low	28.4	Very low	148 Å²	148	131.5 Å²	131.5	69%	0.692	69%	0.687	S	S	*	*			cis	-172.7	118.8	-28.1	-164.8	179.6	-151.3	0	0	108.3
1207	Y	31.1	Very low	28.5	Very low	199 Å²	199	134.3 Å²	134.3	78%	0.78	71%	0.707	S	S	*	*			trans	53.5	164.4	148.2	-65.8	-133.7	0	0	0	118.5
1208	D	27.8	Very low	28.7	Very low	125 Å²	125	138.3 Å²	138.3	67%	0.668	73%	0.726	S	S	*	*			cis	-162.5	173.2	12.7	-138.4	-18.1	0	0	0	112.8
1209	E	25.1	Very low	28.9	Very low	153 Å²	153	138.6 Å²	138.6	72%	0.715	72%	0.722	S	S	*	*			trans	37.9	113	150.6	-72.5	-171.4	157.6	0	0	123.1
1210	T	23.5	Very low	29	Very low	117 Å²	117	141 Å²	141	72%	0.718	73%	0.726	S	S	*	*			trans	74.9	142.1	130.7	62.3	0	0	0	0	123.8
1211	D	23.2	Very low	29.2	Very low	144 Å²	144	143.8 Å²	143.8	77%	0.77	74%	0.735	S	S	*	*			trans	67.4	158.8	151.2	-67.5	-11.3	0	0	0	121
1212	D	25.7	Very low	29.3	Very low	146 Å²	146	144 Å²	144	78%	0.781	74%	0.736	S	S	*	*			trans	60	85.3	159.5	-67.9	-13.6	0	0	0	120.6
1213	S	23	Very low	29.5	Very low	100 Å²	100	142.1 Å²	142.1	70%	0.699	74%	0.74	S	S	*	*				62.4	137.5	127	63	0	0	0	0	122.1	P1215	S1213-P1215 WeakPolarHBondContact O-CD 2.94Å
1214	D	43.8	Very low	29.7	Very low	163 Å²	163	143.5 Å²	143.5	87%	0.872	75%	0.747	S	S	*	*			trans	-58.9	141.8	156.4	-54.2	-72.1	0	0	0	112.2
1215	P	29.8	Very low	29.5	Very low	99 Å²	99	143.6 Å²	143.6	64%	0.643	75%	0.747	S	S	*	*			trans	-145.8	140.4	139.3	34.7	-18	0	0	0	115.8	S1213	S1213-P1215 WeakPolarHBondContact O-CD 2.94Å
1216	D	27.2	Very low	29.4	Very low	148 Å²	148	144.3 Å²	144.3	79%	0.791	75%	0.751	S	S	*	*			trans	53.3	125.1	143.8	-51.8	-31.9	0	0	0	120.6
1217	N	27.7	Very low	29.2	Very low	159 Å²	159	145 Å²	145	85%	0.85	75%	0.754	S	S	*	*			cis	75	127.7	32.9	-158.9	18.6	0	0	0	116.1
1218	D	29.9	Very low	29.6	Very low	144 Å²	144	141.2 Å²	141.2	77%	0.77	75%	0.754	S	S	*	*			trans	-179	150.4	179.5	-158.2	55.5	0	0	0	108.1
1219	I	30.5	Very low	29.8	Very low	127 Å²	127	144.6 Å²	144.6	65%	0.651	77%	0.766	S	S	*	*			cis	-171.7	173.3	-19.1	-160	178.6	0	0	0	106.1
1220	E	29.7	Very low	30	Very low	160 Å²	160	144.5 Å²	144.5	75%	0.748	77%	0.77	S	S	*	*			cis	-158.4	171.3	12.3	-145.2	167.2	-149.4	0	0	105.1
1221	E	31	Very low	30.3	Very low	165 Å²	165	146.2 Å²	146.2	77%	0.771	77%	0.774	S	S	*	*			cis	-158.8	164.6	2.8	-147.1	-177.5	-171.4	0	0	104.4
1222	E	30.4	Very low	30.4	Very low	173 Å²	173	146 Å²	146	81%	0.808	77%	0.773	S	S	*	*			cis	-136.8	-27.3	14	-75.4	-172	87.2	0	0	116
1223	S	32.7	Very low	30.4	Very low	97 Å²	97	145.6 Å²	145.6	68%	0.678	77%	0.77	S	S	*	*			trans	-153.2	159.7	-144.7	57.9	0	0	0	0	116.5
1224	E	30.7	Very low	30.4	Very low	175 Å²	175	148.5 Å²	148.5	82%	0.818	77%	0.772	S	S	*	*			cis	-163.1	82.9	-13	-104.6	-175.8	135.3	0	0	109.8
1225	D	28.2	Very low	29.5	Very low	141 Å²	141	147.8 Å²	147.8	75%	0.754	77%	0.767	S	S	*	*			trans	46.7	146.6	131.9	-50.1	-58.8	0	0	0	125.9
1226	D	33	Very low	29.8	Very low	147 Å²	147	148.1 Å²	148.1	79%	0.786	77%	0.772	S	S	*	*				178.3	110.4	95.7	-117.2	-15.8	0	0	0	117.3
1227	Q	29.8	Very low	30.1	Very low	162 Å²	162	146 Å²	146	76%	0.757	77%	0.766	S	S	*	*			trans	45	134.1	141.5	-55	-65.7	-80.9	0	0	126.1
1228	P	39.4	Very low	30.1	Very low	120 Å²	120	146.5 Å²	146.5	78%	0.779	76%	0.763	S	S	*	*			trans	-109.2	178	160.1	41.5	-32.8	0	0	0	114.6
1229	E	32.2	Very low	30	Very low	197 Å²	197	147.1 Å²	147.1	92%	0.921	76%	0.762	S	S	*	*			trans	-156.9	157.7	166.2	-136.1	174.2	-138.4	0	0	113
1230	D	28.4	Very low	29.9	Very low	150 Å²	150	143.8 Å²	143.8	80%	0.802	76%	0.758	S	S	*	*			trans	-108.4	178.9	-159.1	-60.2	-67.7	0	0	0	117.7
1231	L	30.5	Very low	30.1	Very low	154 Å²	154	144.7 Å²	144.7	81%	0.806	76%	0.756	S	S	*	*			trans	94.8	103.7	151.2	-54.6	-176.8	0	0	0	121.8
1232	D	24.6	Very low	30	Very low	139 Å²	139	143.6 Å²	143.6	74%	0.743	75%	0.751	S	S	*	*				48.7	134.5	106.9	-83.2	2.3	0	0	0	124.3
1233	L	26	Very low	29.9	Very low	138 Å²	138	141.9 Å²	141.9	72%	0.723	75%	0.747	S	S	*	*			trans	82.9	106.5	141.5	-70.7	168.9	0	0	0	122.6
1234	E	23.5	Very low	29.8	Very low	160 Å²	160	142.6 Å²	142.6	75%	0.748	75%	0.747	S	S	*	*				86.9	141	122.2	-99.9	-176.9	-153.4	0	0	124.4
1235	I	24.8	Very low	29.8	Very low	149 Å²	149	141.1 Å²	141.1	76%	0.764	75%	0.745	S	S	*	*			trans	84.3	114.5	150.6	-65.4	159.1	0	0	0	120.2
1236	S	36.1	Very low	29.8	Very low	106 Å²	106	141.7 Å²	141.7	74%	0.741	75%	0.748	S	S	*	*			trans	-69.7	171.9	166.8	-37.5	0	0	0	0	113.1
1237	P	33.6	Very low	29.9	Very low	102 Å²	102	140.3 Å²	140.3	66%	0.662	75%	0.747	S	S	*	*				-157.3	177.5	80.9	43.3	-23.3	0	0	0	117
1238	E	26.5	Very low	29.7	Very low	171 Å²	171	139.7 Å²	139.7	80%	0.799	75%	0.749	S	S	*	*			trans	34.3	151.7	134.9	-59.2	167	142.5	0	0	121
1239	E	27.9	Very low	29.3	Very low	157 Å²	157	143.3 Å²	143.3	73%	0.734	75%	0.749	S	S	*	*			cis	-168.6	158.9	33.3	-156.6	-179.1	-123.4	0	0	110.5
1240	G	29.7	Very low	29	Very low	56 Å²	56	138.6 Å²	138.6	58%	0.577	74%	0.737	S	S	*	*			trans	142.3	97.7	132	0	0	0	0	0	122.8
1241	Y	33.9	Very low	28.9	Very low	179 Å²	179	137.9 Å²	137.9	70%	0.702	73%	0.733	S	S	*	*			trans	76.6	126.8	140.4	-62.6	-88.7	0	0	0	121.1
1242	E	27.8	Very low	28.7	Very low	143 Å²	143	140.7 Å²	140.7	67%	0.668	73%	0.733	S	S	*	*			cis	-169.9	170.8	-16.8	-136.1	171.1	-158.8	0	0	111.8
1243	D	29.1	Very low	28.8	Very low	136 Å²	136	140.4 Å²	140.4	73%	0.727	73%	0.731	S	S	*	*			trans	75.2	139.2	160.1	-55.9	-20.7	0	0	0	121.7
1244	V	30.7	Very low	29	Very low	113 Å²	113	142.6 Å²	142.6	69%	0.685	74%	0.737	S	S	*	*			cis	-164.3	142.4	-22.3	141.9	0	0	0	0	109.6
1245	D	30.3	Very low	29.7	Very low	143 Å²	143	139.1 Å²	139.1	77%	0.765	74%	0.735	S	S	*	*			trans	8.7	157.8	154.8	-38.5	-20.4	0	0	0	125
1246	D	28.1	Very low	29.7	Very low	154 Å²	154	139.7 Å²	139.7	82%	0.824	74%	0.74	S	S	*	*			trans	-61.8	-178.4	179	-42	-72	0	0	0	116.4
1247	P	34.2	Very low	29.5	Very low	117 Å²	117	143.2 Å²	143.2	76%	0.76	75%	0.745	S	S	*	*			cis	-140.7	175.8	2.5	46.2	-28.6	0	0	0	117.5
1248	D	26.8	Very low	29.1	Very low	149 Å²	149	146.6 Å²	146.6	80%	0.797	75%	0.752	S	S	*	*			trans	39	144.6	146	-120.3	-19.8	0	0	0	125.3
1249	Y	31.4	Very low	29.1	Very low	197 Å²	197	145.5 Å²	145.5	77%	0.773	75%	0.751	S	S	*	*			trans	79.2	102.1	155.9	-115.7	-101.1	0	0	0	122.8
1250	S	25.9	Very low	28.9	Very low	97 Å²	97	142.3 Å²	142.3	68%	0.678	74%	0.739	S	S	*	*			trans	82.8	139.8	135.3	70.6	0	0	0	0	123.2
1251	D	25.8	Very low	29.1	Very low	135 Å²	135	144.7 Å²	144.7	72%	0.722	74%	0.744	S	S	*	*			trans	78.8	104.2	150.6	-83.5	1.1	0	0	0	122.4
1252	W	25.7	Very low	28.9	Very low	213 Å²	213	142.7 Å²	142.7	81%	0.807	75%	0.745	S	S	*	*				98.3	122.5	129.5	-73.6	29.6	0	0	0	120.6
1253	I	27.3	Very low	28.7	Very low	134 Å²	134	146.6 Å²	146.6	69%	0.687	75%	0.754	S	S	*	*			trans	94.8	131.4	146.2	-66.9	159	0	0	0	118.2
1254	E	30	Very low	28.7	Very low	184 Å²	184	144.1 Å²	144.1	86%	0.86	75%	0.746	S	S	*	*	S	Bend	trans	83.4	104.2	164.4	-81.7	156.9	-142.8	0	0	118.5
1255	A	37.9	Very low	28.4	Very low	86 Å²	86	141.3 Å²	141.3	71%	0.711	74%	0.74	S	S	*	*			trans	88.5	62.7	154.8	0	0	0	0	0	120.1
1256	D	24.4	Very low	28.4	Very low	161 Å²	161	139.9 Å²	139.9	86%	0.861	74%	0.735	S	S	*	*			trans	-91.6	99.9	145.9	-59.7	-56	0	0	0	108.9
1257	E	32	Very low	28.3	Very low	180 Å²	180	143.4 Å²	143.4	84%	0.841	74%	0.737	S	S	*	*			trans	-140.9	103.3	166.9	-70.1	-178.3	134.5	0	0	102.8
1258	E	26.8	Very low	27.9	Very low	173 Å²	173	146 Å²	146	81%	0.808	74%	0.737	S	S	*	*			cis	58	123.1	38.4	-72.1	-166.1	174.8	0	0	114.2
1259	L	24.8	Very low	27.8	Very low	149 Å²	149	146 Å²	146	78%	0.78	74%	0.736	S	S	*	*			trans	63.1	157.7	-165.4	-56.7	172.1	0	0	0	112.4
1260	N	25.2	Very low	27.6	Very low	90 Å²	90	145 Å²	145	48%	0.481	74%	0.74	S	S	.	*			cis	-161	-174	7.7	-127.1	-32	0	0	0	106.1
1261	P	33.3	Very low	27.6	Very low	105 Å²	105	144.8 Å²	144.8	68%	0.682	74%	0.744	S	S	*	*	S	Bend	cis	-139.9	119.6	19.5	35.6	-12.2	0	0	0	117.5
1262	N	29	Very low	27.7	Very low	138 Å²	138	144.7 Å²	144.7	74%	0.738	75%	0.748	S	S	*	*	S	Bend		168.7	122.1	121.7	-86.2	-11.3	0	0	0	109.3
1263	W	24.6	Very low	27.8	Very low	224 Å²	224	142.5 Å²	142.5	85%	0.848	75%	0.745	S	S	*	*	S	Bend	cis	-142.6	167.8	-13.5	-113.7	60.8	0	0	0	105.7
1264	P	29.3	Very low	27.8	Very low	85 Å²	85	141.6 Å²	141.6	55%	0.552	75%	0.746	S	S	*	*			cis	-129.8	121.1	-0.1	35.7	-17.1	0	0	0	114.1	V1266	P1264-V1266 HydrophobicContact CB-CG2 4.27Å; P1264-V1266 PolarHBondContact O-N 3.2Å
1265	G	24.3	Very low	27.8	Very low	54 Å²	54	138.8 Å²	138.8	56%	0.557	74%	0.741	S	S	*	*			trans	-72.6	79.2	174.5	0	0	0	0	0	114.7	R1267	G1265-R1267 PolarHBondContact O-N 2.9Å
1266	V	29.2	Very low	27.4	Very low	112 Å²	112	140.3 Å²	140.3	68%	0.679	74%	0.742	S	S	*	*			trans	-84.7	95.4	-178.1	-177.8	0	0	0	0	113.1	P1264	P1264-V1266 HydrophobicContact CB-CG2 4.27Å; P1264-V1266 PolarHBondContact O-N 3.2Å
1267	R	26.5	Very low	27.8	Very low	229 Å²	229	138.4 Å²	138.4	86%	0.864	74%	0.736	S	S	*	*			trans	-178.8	152.6	152.7	-94.6	142.2	-148.8	-134.5	9.7	110.1	G1265	G1265-R1267 PolarHBondContact O-N 2.9Å
1268	K	26.6	Very low	27.8	Very low	171 Å²	171	135.5 Å²	135.5	74%	0.743	73%	0.731	S	S	*	*			cis	-165	131.6	-40.7	-127	167.5	-178.2	162.5	0	106.8
1269	L	24.7	Very low	27.9	Very low	148 Å²	148	132.8 Å²	132.8	78%	0.775	73%	0.728	S	S	*	*			trans	57.6	106.6	156.2	-59.2	159.8	0	0	0	120
1270	M	26.1	Very low	28.1	Very low	176 Å²	176	131.5 Å²	131.5	87%	0.867	73%	0.732	S	S	*	*				162.2	90.7	116.3	-81.8	-75.9	-176	0	0	116
1271	A	25.3	Very low	28.2	Very low	93 Å²	93	137.7 Å²	137.7	77%	0.769	75%	0.754	S	S	*	*			trans	68.7	151.1	137.5	0	0	0	0	0	125
1272	V	29.4	Very low	28	Very low	133 Å²	133	136.4 Å²	136.4	81%	0.806	75%	0.748	S	S	*	*			trans	97.1	74.6	156.9	-160	0	0	0	0	120.4
1273	K	27.3	Very low	27.9	Very low	168 Å²	168	139.5 Å²	139.5	73%	0.73	76%	0.755	S	S	*	*				33.2	132.6	127	-69.5	-166.9	172.9	-158.9	0	119.8
1274	T	27.5	Very low	27.8	Very low	115 Å²	115	134.4 Å²	134.4	71%	0.706	75%	0.753	S	S	*	*				-178.5	135.1	54.1	-8.6	0	0	0	0	112.9
1275	T	29.3	Very low	27.7	Very low	124 Å²	124	137.1 Å²	137.1	76%	0.761	76%	0.758	S	S	*	*			trans	59.8	149.7	157.3	52.8	0	0	0	0	119.3
1276	T	30.1	Very low	27.9	Very low	118 Å²	118	139.4 Å²	139.4	72%	0.724	77%	0.766	S	S	*	*			cis	-162.2	-173.3	-6.4	25.2	0	0	0	0	106.9
1277	T	33.7	Very low	27.9	Very low	122 Å²	122	143.2 Å²	143.2	75%	0.748	78%	0.776	S	S	*	*			cis	-162.6	-139.3	34.9	-31.5	0	0	0	0	112.1
1278	T	30.1	Very low	28	Very low	119 Å²	119	137.6 Å²	137.6	73%	0.73	77%	0.767	S	S	*	*			trans	-144.8	157.3	-166.2	56.1	0	0	0	0	112.8
1279	P	29.3	Very low	28	Very low	116 Å²	116	134 Å²	134	75%	0.753	76%	0.76	S	S	*	*			cis	-137.3	133.5	21.8	37.7	-18	0	0	0	118.1
1280	S	30.2	Very low	28.1	Very low	122 Å²	122	134 Å²	134	85%	0.853	76%	0.761	S	S	*	*			trans	-133	151.4	146	-62.2	0	0	0	0	107.5
1281	K	27.6	Very low	28.1	Very low	219 Å²	219	133.5 Å²	133.5	95%	0.952	76%	0.756	S	S	*	*			trans	-91.5	105.8	176.6	-92.4	-175.3	-179.2	171.5	0	110.7
1282	S	27.3	Very low	28.3	Very low	78 Å²	78	134.6 Å²	134.6	55%	0.545	75%	0.745	S	S	.	*			trans	-106.6	150.4	144.5	57.3	0	0	0	0	109.8
1283	K	27.7	Very low	28.4	Very low	204 Å²	204	134.1 Å²	134.1	89%	0.887	74%	0.743	S	S	*	*	S	Bend	trans	-132	115.9	155.2	-75.4	178.8	175.1	179.6	0	102.9
1284	S	23	Very low	28.6	Very low	117 Å²	117	134.3 Å²	134.3	82%	0.818	74%	0.744	S	S	*	*			cis	-79.8	122.5	47.6	54.1	0	0	0	0	116.6
1285	H	26.5	Very low	28.4	Very low	141 Å²	141	135.4 Å²	135.4	65%	0.653	75%	0.745	S	S	*	*			trans	-136.5	95.5	170.8	-110.4	34.2	0	0	0	109.5
1286	S	28.3	Very low	28.5	Very low	102 Å²	102	138.7 Å²	138.7	71%	0.713	75%	0.749	S	S	*	*			trans	-115.1	103.7	153.2	64.5	0	0	0	0	108.1	T1288	S1286-T1288 PolarHBondContact O-N 2.77Å; S1286-T1288 VanDerWaalsContact O-N 3.11Å
1287	E	28.9	Very low	28.5	Very low	193 Å²	193	141.4 Å²	141.4	90%	0.902	75%	0.75	S	S	*	*			trans	-64.7	112	174.7	-72.2	-171.1	113.4	0	0	109.3
1288	T	28.8	Very low	28.2	Very low	111 Å²	111	141.7 Å²	141.7	68%	0.681	75%	0.752	S	S	*	*			trans	-102.6	142.1	-177.2	49.5	0	0	0	0	113	S1286	S1286-T1288 PolarHBondContact O-N 2.77Å; S1286-T1288 VanDerWaalsContact O-N 3.11Å
1289	T	27.7	Very low	28.2	Very low	96 Å²	96	141 Å²	141	59%	0.589	75%	0.752	S	S	*	*			trans	88.8	85.7	168.8	75.1	0	0	0	0	120.1
1290	N	27.1	Very low	28.1	Very low	147 Å²	147	140.5 Å²	140.5	79%	0.786	75%	0.751	S	S	*	*				78.7	140.7	129.1	-58.5	-44.5	0	0	0	118.1
1291	E	25.1	Very low	28.1	Very low	165 Å²	165	144 Å²	144	77%	0.771	75%	0.751	S	S	*	*				-143.3	144.8	50.3	-73.7	-145.1	109.3	0	0	119
1292	H	28.4	Very low	28.3	Very low	117 Å²	117	139.3 Å²	139.3	54%	0.542	74%	0.741	S	S	.	*			trans	66.4	60.2	137.4	-75.3	106.7	0	0	0	122.1
1293	T	33.4	Very low	28.2	Very low	122 Å²	122	139.6 Å²	139.6	75%	0.748	75%	0.748	S	S	*	*				4.2	127.8	116	54.4	0	0	0	0	117.6
1294	K	29.8	Very low	28.3	Very low	173 Å²	173	135.6 Å²	135.6	75%	0.752	74%	0.741	S	S	*	*			trans	-152.1	138.4	163.3	-71.2	-169.9	-176.7	60.5	0	112
1295	N	25.2	Very low	28.4	Very low	138 Å²	138	137.3 Å²	137.3	74%	0.738	74%	0.741	S	S	*	*			cis	-171.2	122.9	-20.2	-142.8	-42.3	0	0	0	110.7
1296	K	30.3	Very low	28.5	Very low	192 Å²	192	137 Å²	137	84%	0.835	75%	0.748	S	S	*	*			trans	164.9	138.9	161.6	-97.3	153	-173.4	174.5	0	109.9
1297	K	29.4	Very low	28.3	Very low	175 Å²	175	141 Å²	141	76%	0.761	75%	0.753	S	S	*	*			cis	-168.8	133.9	-7.6	-140.2	-166.9	177.3	-167.9	0	110.9
1298	V	29	Very low	28	Very low	128 Å²	128	137.5 Å²	137.5	78%	0.776	75%	0.745	S	S	*	*			trans	52.3	130.8	134.8	162.9	0	0	0	0	118.8
1299	S	29.8	Very low	27.9	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	75%	0.753	S	S	*	*			cis	-169	159.5	5.9	166.5	0	0	0	0	112.5
1300	S	27	Very low	27.9	Very low	105 Å²	105	140.2 Å²	140.2	73%	0.734	76%	0.758	S	S	*	*			trans	-69.8	158.2	179.2	54.4	0	0	0	0	118.1
1301	K	30.5	Very low	27.8	Very low	195 Å²	195	142.1 Å²	142.1	85%	0.848	76%	0.759	S	S	*	*			trans	171.7	146.1	147.2	-94.4	168.7	-179.9	-175	0	107.2
1302	T	30.5	Very low	28.4	Very low	121 Å²	121	140.4 Å²	140.4	74%	0.742	76%	0.76	S	S	*	*			cis	-159.6	145.6	-5.1	9.8	0	0	0	0	106.1
1303	A	26.2	Very low	28.4	Very low	84 Å²	84	140.1 Å²	140.1	69%	0.694	77%	0.769	S	S	*	*				49.9	130	82.6	0	0	0	0	0	113.8
1304	T	29.4	Very low	27.9	Very low	120 Å²	120	139.2 Å²	139.2	74%	0.736	77%	0.767	S	S	*	*			cis	-161.9	150.7	17.1	48.9	0	0	0	0	113.8
1305	N	25.4	Very low	27.9	Very low	152 Å²	152	135.3 Å²	135.3	81%	0.813	76%	0.761	S	S	*	*			trans	53.4	160.1	142	-67.2	10.3	0	0	0	123.7
1306	V	28	Very low	28	Very low	134 Å²	134	137.4 Å²	137.4	81%	0.812	76%	0.764	S	S	*	*			trans	78.6	110.6	171.1	-172.9	0	0	0	0	112.5
1307	K	24.4	Very low	27.8	Very low	187 Å²	187	133.4 Å²	133.4	81%	0.813	75%	0.751	S	S	*	*			cis	75.7	101.6	41.2	-166.6	168.8	-176.1	170.1	0	114.4
1308	T	23.4	Very low	27.8	Very low	119 Å²	119	127 Å²	127	73%	0.73	73%	0.728	S	S	*	*			trans	62.9	111.4	166.9	-38.6	0	0	0	0	116.8
1309	I	26.7	Very low	27.7	Very low	167 Å²	167	127.2 Å²	127.2	86%	0.856	72%	0.721	S	S	*	*			trans	-179.3	131.4	131.2	-94.7	155.3	0	0	0	108.1
1310	S	27.5	Very low	27.7	Very low	97 Å²	97	125.1 Å²	125.1	68%	0.678	70%	0.702	S	S	*	*			trans	-83.6	171.4	173.6	53.3	0	0	0	0	111.9
1311	K	24	Very low	28	Very low	187 Å²	187	122.1 Å²	122.1	81%	0.813	68%	0.681	S	S	*	*			trans	85.1	97.2	173.2	-51.2	174.5	-175.1	-176.1	0	116.1
1312	T	38.4	Very low	27.9	Very low	130 Å²	130	121.2 Å²	121.2	80%	0.798	68%	0.676	S	S	*	*				8.4	153.4	115.5	54.2	0	0	0	0	117.5
1313	P	27.1	Very low	27.8	Very low	111 Å²	111	119.8 Å²	119.8	72%	0.721	67%	0.668	S	S	*	*			cis	-156.9	179.8	39.7	44.5	-22.8	0	0	0	119.8
1314	S	24.8	Very low	27.8	Very low	103 Å²	103	124.1 Å²	124.1	72%	0.72	67%	0.671	S	S	*	*			trans	63.2	101.1	137.9	-77.9	0	0	0	0	122.4
1315	S	28.2	Very low	27.7	Very low	90 Å²	90	125.8 Å²	125.8	63%	0.629	67%	0.671	S	S	*	*				110.7	150.3	93.5	75.7	0	0	0	0	120.5
1316	K	27.9	Very low	27.6	Very low	182 Å²	182	123.5 Å²	123.5	79%	0.791	67%	0.666	S	S	*	*			trans	83	145.9	160.3	-57.6	176.3	-176.4	174.7	0	116.7
1317	L	25.2	Very low	27.3	Very low	109 Å²	109	125.5 Å²	125.5	57%	0.571	66%	0.664	S	S	*	*			cis	-172	163	-13.9	-104.6	173.8	0	0	0	104.4	S311	S311-L1317 WeakPolarHBondContact CB-O 3.41Å
1318	S	30.1	Very low	27.4	Very low	40 Å²	40	123 Å²	123	28%	0.28	66%	0.66	S	S	.	*			cis	-164.3	-146.5	8.7	35.5	0	0	0	0	106.9	G312 K313	G312-S1318 WeakPolarHBondContact CA-O 3.32Å; K313-S1318 PolarHBondContact N-O 2.92Å
1319	E	28.2	Very low	27.3	Very low	133 Å²	133	127 Å²	127	62%	0.621	67%	0.667	S	S	*	*	S	Bend	cis	-131.4	128.8	-24.5	-94.5	-158.4	-121.5	0	0	102.4
1320	N	29.5	Very low	27.3	Very low	62 Å²	62	124.2 Å²	124.2	33%	0.332	66%	0.66	S	S	.	*			cis	-159.1	178.1	18	-85.2	-33.8	0	0	0	107.9	K314 S315	K314-N1320 CarbonylContact C-O 3.48Å; S315-N1320 WeakPolarHBondContact CA-O 3.4Å; S315-N1320 PolarHBondContact N-O 2.72Å
1321	S	33.3	Very low	27.4	Very low	42 Å²	42	125.4 Å²	125.4	29%	0.294	67%	0.668	S	S	.	*			cis	179.9	142.5	-14.8	45.2	0	0	0	0	105.5
1322	K	28.5	Very low	27.5	Very low	175 Å²	175	121.5 Å²	121.5	76%	0.761	66%	0.664	S	S	*	*			cis	179.1	153.2	13.5	-105.1	167.1	-171.9	169.5	0	106.9
1323	T	26.7	Very low	26.8	Very low	92 Å²	92	121 Å²	121	56%	0.564	66%	0.661	S	S	*	*			cis	-178.8	141.7	-15.7	18.2	0	0	0	0	109.1
1324	K	26.2	Very low	26.7	Very low	175 Å²	175	122.9 Å²	122.9	76%	0.761	66%	0.66	S	S	*	*			trans	70.6	169.7	157.6	-54	150	153.9	-144.2	0	114.9
1325	Q	28.2	Very low	26.8	Very low	155 Å²	155	124.6 Å²	124.6	72%	0.724	66%	0.657	S	S	*	*			cis	-145	152.4	1.1	-145.2	156.4	-85.2	0	0	111.8
1326	S	23.1	Very low	26.7	Very low	103 Å²	103	127.4 Å²	127.4	72%	0.72	66%	0.66	S	S	*	*			trans	-126.3	153.7	162.5	55.9	0	0	0	0	110.9
1327	K	23	Very low	26.6	Very low	176 Å²	176	126.9 Å²	126.9	77%	0.765	66%	0.66	S	S	*	*			trans	73.4	124.3	168.2	-63.2	-92.4	175.1	-171.1	0	119.1
1328	D	24.8	Very low	26.6	Very low	136 Å²	136	127.6 Å²	127.6	73%	0.727	67%	0.665	S	S	*	*			trans	72.2	91.3	138.4	-47.3	-11.1	0	0	0	121.1
1329	K	22.4	Very low	26.8	Very low	201 Å²	201	132 Å²	132	87%	0.874	68%	0.681	S	S	*	*			trans	172.9	146.4	135.5	-108.1	-179.4	177.9	-169.5	0	115
1330	P	26.5	Very low	26.8	Very low	110 Å²	110	131.6 Å²	131.6	71%	0.714	69%	0.689	S	S	*	*				-128.9	-178.7	-58	39.6	-23.9	0	0	0	111.6
1331	S	29.2	Very low	26.4	Very low	122 Å²	122	132.5 Å²	132.5	85%	0.853	69%	0.694	S	S	*	*			trans	-53.2	135	173.1	49.1	0	0	0	0	114.7
1332	S	25.5	Very low	25.9	Very low	104 Å²	104	137.6 Å²	137.6	73%	0.727	71%	0.711	S	S	*	*			trans	-168.2	84.5	165.3	175.5	0	0	0	0	114.3
1333	T	23.8	Very low	26	Very low	119 Å²	119	136.2 Å²	136.2	73%	0.73	71%	0.711	S	S	*	*			trans	62.7	132.2	138.6	-5.7	0	0	0	0	122.5
1334	H	25.3	Very low	25.9	Very low	152 Å²	152	140.5 Å²	140.5	70%	0.704	72%	0.722	S	S	*	*			trans	74.2	129.6	148.2	-91.9	-63	0	0	0	121.3
1335	H	27.1	Very low	25.9	Very low	139 Å²	139	136.3 Å²	136.3	64%	0.644	71%	0.714	S	S	*	*			trans	68.2	127.2	150.5	-72.9	-47.2	0	0	0	116.1
1336	Q	25.5	Very low	25.8	Very low	149 Å²	149	132.1 Å²	132.1	70%	0.696	70%	0.702	S	S	*	*				69.6	147.8	61.2	-169.6	-163.4	27.6	0	0	110
1337	Q	26.7	Very low	26.1	Very low	170 Å²	170	133.6 Å²	133.6	79%	0.794	71%	0.707	S	S	*	*			trans	77.1	81.7	-163.1	-47.5	-160.1	-72.9	0	0	109.6
1338	N	25.1	Very low	26.4	Very low	125 Å²	125	132.2 Å²	132.2	67%	0.668	71%	0.708	S	S	*	*				97	160.6	71.4	-86.7	41.6	0	0	0	108.5
1339	Q	34.2	Very low	26.7	Very low	133 Å²	133	129.6 Å²	129.6	62%	0.621	71%	0.705	S	S	*	*			trans	-17.7	146.4	131.9	-59.1	144.3	-26.4	0	0	113.9	D1341	Q1339-D1341 HydrophobicContact CB-CB 4.42Å; Q1339-D1341 WeakPolarHBondContact CB-OD2 3.38Å
1340	P	27.7	Very low	27.2	Very low	123 Å²	123	124 Å²	124	80%	0.799	69%	0.691	S	S	*	*			cis	-74.7	125.6	44.8	-27.9	39.4	0	0	0	112.7
1341	D	21.8	Very low	27.5	Very low	81 Å²	81	123.2 Å²	123.2	43%	0.433	69%	0.688	S	S	.	*				58	133.3	62.6	-75.1	-81.5	0	0	0	110.5	Q1339	Q1339-D1341 HydrophobicContact CB-CB 4.42Å; Q1339-D1341 WeakPolarHBondContact CB-OD2 3.38Å
1342	K	23.2	Very low	27.4	Very low	150 Å²	150	127.5 Å²	127.5	65%	0.652	69%	0.691	S	S	*	*			trans	64.9	118.4	138.5	-69.3	153.3	-173.2	124.9	0	113.1
1343	L	29.5	Very low	27.4	Very low	145 Å²	145	130 Å²	130	76%	0.759	69%	0.691	S	S	*	*				45.1	125.1	82.8	-59.5	144.5	0	0	0	110.1
1344	K	25	Very low	27.6	Very low	183 Å²	183	129.5 Å²	129.5	80%	0.796	69%	0.688	S	S	*	*				171.3	132.8	100.4	-82.3	-159	-175.1	-163	0	108.7
1345	S	26	Very low	27.7	Very low	86 Å²	86	130.2 Å²	130.2	60%	0.601	69%	0.692	S	S	*	*			cis	-177.1	179	-1.7	46.1	0	0	0	0	111.1
1346	S	26	Very low	27.9	Very low	67 Å²	67	129.3 Å²	129.3	47%	0.469	69%	0.692	S	S	.	*				80.6	117.6	122.2	61.9	0	0	0	0	119.8
1347	T	30	Very low	28.3	Very low	134 Å²	134	130 Å²	130	82%	0.822	69%	0.694	S	S	*	*				53.9	177.4	94.4	-29.8	0	0	0	0	117.6
1348	L	28.5	Very low	28.2	Very low	148 Å²	148	129.7 Å²	129.7	78%	0.775	69%	0.693	S	S	*	*			trans	102.1	110.4	163	-59.9	145.3	0	0	0	112
1349	A	31.4	Very low	28.3	Very low	81 Å²	81	127.3 Å²	127.3	67%	0.669	69%	0.686	S	S	*	*			cis	-156.8	-173.1	1.8	0	0	0	0	0	108.5
1350	S	32.9	Very low	27.9	Very low	84 Å²	84	127.1 Å²	127.1	59%	0.587	68%	0.683	S	S	*	*			cis	-165	139.7	21.5	-139.5	0	0	0	0	108
1351	S	32.1	Very low	28.4	Very low	93 Å²	93	130.6 Å²	130.6	65%	0.65	69%	0.685	S	S	*	*	S	Bend		54.1	118.3	53.6	171.5	0	0	0	0	113	H1353	S1351-H1353 VanDerWaalsContact C-N 3.28Å; S1351-H1353 PolarHBondContact O-N 3.26Å
1352	K	27.5	Very low	28.8	Very low	211 Å²	211	129.5 Å²	129.5	92%	0.917	69%	0.688	S	S	*	*			trans	-63.1	96.4	151.1	-77.6	174.9	-176.7	164.4	0	107.4	T1354	K1352-T1354 PolarHBondContact O-N 2.9Å
1353	H	25.7	Very low	29.1	Very low	158 Å²	158	124.6 Å²	124.6	73%	0.731	68%	0.675	S	S	*	*			trans	-57.1	124	140.1	-97.1	-26.5	0	0	0	105.2	S1351	S1351-H1353 VanDerWaalsContact C-N 3.28Å; S1351-H1353 PolarHBondContact O-N 3.26Å
1354	T	27.7	Very low	29.4	Very low	107 Å²	107	125.8 Å²	125.8	66%	0.656	68%	0.676	S	S	*	*				-140.9	134.5	86.2	38.2	0	0	0	0	111.8	K1352	K1352-T1354 PolarHBondContact O-N 2.9Å
1355	E	27.8	Very low	29.8	Very low	168 Å²	168	122.1 Å²	122.1	79%	0.785	66%	0.66	S	S	*	*				74	128.6	109.6	-57.2	-179.8	174.1	0	0	113.4
1356	D	31.1	Very low	30.4	Very low	120 Å²	120	121 Å²	121	64%	0.642	65%	0.65	S	S	*	*			cis	-164.9	176.5	19.2	-147.7	-2.9	0	0	0	117.1	H1358	D1356-H1358 PolarHBondContact O-N 3.03Å; D1356-H1358 VanDerWaalsContact O-N 3.14Å
1357	H	33.7	Very low	31	Very low	163 Å²	163	120.4 Å²	120.4	76%	0.755	64%	0.643	S	S	*	*			trans	56.6	35.5	139.5	-83.5	34.3	0	0	0	122.6
1358	H	24.6	Very low	31.8	Very low	164 Å²	164	118.7 Å²	118.7	76%	0.759	63%	0.634	S	S	*	*				48.6	88.8	110.1	-163.8	60.6	0	0	0	118.6	D1356	D1356-H1358 PolarHBondContact O-N 3.03Å; D1356-H1358 VanDerWaalsContact O-N 3.14Å
1359	S	26.9	Very low	31.8	Very low	74 Å²	74	117 Å²	117	52%	0.517	64%	0.635	S	S	.	*			trans	82.1	133.5	143	75.4	0	0	0	0	121.9
1360	K	26.6	Very low	31.8	Very low	129 Å²	129	121.1 Å²	121.1	56%	0.561	64%	0.641	S	S	*	*				163.6	99.2	114.7	-84.5	154.1	-140.6	63.9	0	108.4
1361	K	37.8	Very low	32.2	Very low	196 Å²	196	122.6 Å²	122.6	85%	0.852	64%	0.642	S	S	*	*				46.7	106.3	55.1	-139.4	145	-167	152.6	0	111.8	T1378	K1361-T1378 WeakPolarHBondContact O-CG2 3.14Å; K1361-T1378 PolarHBondContact O-OG1 3.21Å
1362	A	31.3	Very low	32.5	Very low	59 Å²	59	125.4 Å²	125.4	49%	0.488	64%	0.642	S	S	.	*			trans	-133.8	10.2	-162.2	0	0	0	0	0	119.5	V1377	A1362-V1377 WeakPolarHBondContact O-CG2 3.06Å
1363	A	29.1	Very low	32.4	Very low	46 Å²	46	120.8 Å²	120.8	38%	0.38	63%	0.627	S	S	.	*			trans	66.1	148.7	148.2	0	0	0	0	0	119.3	P1376 T1378	A1363-P1376 VanDerWaalsContact O-CA 3.24Å; A1363-P1376 WeakPolarHBondContact O-CA 3.15Å; A1363-P1376 WeakPolarHBondContact O-CB 2.85Å; A1363-T1378 HydrophobicContact CB-CG2 3.84Å
1364	H	36.5	Very low	32.8	Very low	170 Å²	170	122.1 Å²	122.1	79%	0.787	63%	0.631	S	S	*	*			cis	75.1	97.3	39.9	-170.8	91.7	0	0	0	115
1365	K	32.3	Very low	33.7	Very low	106 Å²	106	120.6 Å²	120.6	46%	0.461	62%	0.622	S	S	.	*			trans	177.6	163	155.8	-94.5	148.1	-171.1	170.1	0	110.3	V1377	K1365-V1377 WeakPolarHBondContact CD-O 3.48Å; K1365-V1377 PolarHBondContact NZ-O 3.18Å
1366	T	38.6	Very low	33.6	Very low	62 Å²	62	116.3 Å²	116.3	38%	0.38	61%	0.608	S	S	.	*				164.1	175.7	87.6	44	0	0	0	0	110.8	K1372 L1373	T1366-K1372 WeakPolarHBondContact CB-O 2.97Å; T1366-L1373 VanDerWaalsContact CB-N 3.27Å; T1366-L1373 PolarHBondContact OG1-N 3.5Å
1367	V	39.1	Very low	33.2	Very low	55 Å²	55	114.1 Å²	114.1	33%	0.333	60%	0.599	S	S	.	*			trans	71.2	136.6	-179.2	-146	0	0	0	0	116	D1371 K1372 L1373	V1367-D1371 WeakPolarHBondContact CA-O 3.39Å; V1367-K1372 PolarHBondContact N-O 3.37Å; V1367-L1373 HydrophobicContact CG2-CB 3.52Å; V1367-L1373 HydrophobicContact CG2-CD1 3.79Å; V1367-L1373 HydrophobicContact CG2-CG 3.44Å; V1367-L1373 VanDerWaalsContact CG2-CG 3.44Å
1368	P	46.8	Very low	33.5	Very low	98 Å²	98	108.8 Å²	108.8	64%	0.636	58%	0.578	S	S	*	*	S	Bend	trans	-70.6	-126.5	146.8	-17.8	34.3	0	0	0	109.5	Q1370 D1371	P1368-Q1370 WeakPolarHBondContact CG-O 3.44Å; P1368-D1371 VanDerWaalsContact CD-O 3.29Å; P1368-D1371 WeakPolarHBondContact CD-O 3.24Å
1369	S	28.7	Very low	33.5	Very low	112 Å²	112	106.2 Å²	106.2	78%	0.783	57%	0.574	S	S	*	*	S	Bend		-105.4	110.6	126	-99.4	0	0	0	0	108.2
1370	Q	31.3	Very low	33.5	Very low	169 Å²	169	108 Å²	108	79%	0.79	58%	0.578	S	S	*	*	S	Bend	trans	75.1	113.8	-172.8	-52.4	151.4	31.7	0	0	112.9	P1368	P1368-Q1370 WeakPolarHBondContact CG-O 3.44Å
1371	D	41.2	Very low	33.3	Very low	114 Å²	114	107.6 Å²	107.6	61%	0.61	59%	0.586	S	S	*	*	S	Bend	cis	-103.4	144.7	9.7	-85	-69.6	0	0	0	115.5	V1367 P1368	V1367-D1371 WeakPolarHBondContact CA-O 3.39Å; P1368-D1371 VanDerWaalsContact CD-O 3.29Å; P1368-D1371 WeakPolarHBondContact CD-O 3.24Å
1372	K	38.4	Very low	32.7	Very low	152 Å²	152	105.1 Å²	105.1	66%	0.661	58%	0.582	S	S	*	*			trans	44.9	126.6	144.5	-57	166.5	-164.8	167.5	0	119.2	T1366 V1367	T1366-K1372 WeakPolarHBondContact CB-O 2.97Å; V1367-K1372 PolarHBondContact N-O 3.37Å
1373	L	25.4	Very low	32.4	Very low	114 Å²	114	107 Å²	107	60%	0.597	59%	0.592	S	S	*	*			cis	66.6	69.8	17.8	-104.8	169.1	0	0	0	114	T1366 V1367	T1366-L1373 VanDerWaalsContact CB-N 3.27Å; T1366-L1373 PolarHBondContact OG1-N 3.5Å; V1367-L1373 HydrophobicContact CG2-CB 3.52Å; V1367-L1373 HydrophobicContact CG2-CD1 3.79Å; V1367-L1373 HydrophobicContact CG2-CG 3.44Å; V1367-L1373 VanDerWaalsContact CG2-CG 3.44Å
1374	K	34.3	Very low	32.3	Very low	186 Å²	186	113.6 Å²	113.6	81%	0.809	61%	0.612	S	S	*	*				164.5	99.3	121.5	-92.7	-156.5	168.2	-127.1	0	112.3
1375	T	46.9	Very low	31.7	Very low	76 Å²	76	110.5 Å²	110.5	47%	0.466	61%	0.609	S	S	.	*			cis	-142	-12	-32.7	-4.3	0	0	0	0	113.7
1376	P	25.5	Very low	31.5	Very low	77 Å²	77	110.3 Å²	110.3	50%	0.5	62%	0.621	S	S	.	*			trans	-82.8	-163.8	167.2	39.2	-39.3	0	0	0	110.6	A1363	A1363-P1376 VanDerWaalsContact O-CA 3.24Å; A1363-P1376 WeakPolarHBondContact O-CA 3.15Å; A1363-P1376 WeakPolarHBondContact O-CB 2.85Å
1377	V	22.8	Very low	30.9	Very low	74 Å²	74	113 Å²	113	45%	0.448	64%	0.637	S	S	.	*			cis	-157	170.3	18.2	68.4	0	0	0	0	111	A1362 K1365	A1362-V1377 WeakPolarHBondContact O-CG2 3.06Å; K1365-V1377 WeakPolarHBondContact CD-O 3.48Å; K1365-V1377 PolarHBondContact NZ-O 3.18Å
1378	T	39	Very low	30.2	Very low	52 Å²	52	118.7 Å²	118.7	32%	0.319	66%	0.661	S	S	.	*			trans	-59.9	153.5	175.1	29.1	0	0	0	0	114.1	K1361 A1363	K1361-T1378 WeakPolarHBondContact O-CG2 3.14Å; K1361-T1378 PolarHBondContact O-OG1 3.21Å; A1363-T1378 HydrophobicContact CB-CG2 3.84Å
1379	T	26	Very low	29.2	Very low	109 Å²	109	122 Å²	122	67%	0.669	67%	0.665	S	S	*	*			trans	176	106.4	167.8	12.2	0	0	0	0	107
1380	N	26.1	Very low	30.1	Very low	113 Å²	113	122.4 Å²	122.4	60%	0.604	67%	0.665	S	S	*	*				93.9	121.7	61.7	-91.2	2.5	0	0	0	115.2
1381	T	23.1	Very low	29.9	Very low	119 Å²	119	123.1 Å²	123.1	73%	0.73	67%	0.665	S	S	*	*			trans	75.9	132.4	154.5	68.4	0	0	0	0	121.5
1382	N	23.7	Very low	29.9	Very low	144 Å²	144	123.2 Å²	123.2	77%	0.77	67%	0.672	S	S	*	*			trans	73.6	136.6	161.7	-67.7	-66.4	0	0	0	117.5
1383	S	26.7	Very low	29.6	Very low	99 Å²	99	120.5 Å²	120.5	69%	0.692	68%	0.678	S	S	*	*			cis	-154	130.8	12.1	54.2	0	0	0	0	115.8
1384	K	25.2	Very low	30	Very low	185 Å²	185	125.2 Å²	125.2	80%	0.804	69%	0.688	S	S	*	*			trans	48.6	130.8	134	-58.9	-164.3	174.7	-157.9	0	121.7
1385	S	25.5	Very low	29.9	Very low	105 Å²	105	122.8 Å²	122.8	73%	0.734	68%	0.683	S	S	*	*			trans	66.1	105.8	142.3	64.9	0	0	0	0	119.7
1386	S	26.7	Very low	29.1	Very low	101 Å²	101	126.5 Å²	126.5	71%	0.706	70%	0.698	S	S	*	*				30.1	127.7	98.4	179.5	0	0	0	0	117.7
1387	T	26.2	Very low	29.3	Very low	118 Å²	118	125.9 Å²	125.9	72%	0.724	71%	0.706	S	S	*	*				-175	143.6	110.3	19.3	0	0	0	0	115
1388	Q	25.3	Very low	29.9	Very low	175 Å²	175	129.5 Å²	129.5	82%	0.818	72%	0.722	S	S	*	*			trans	76.7	89.7	145.7	-70.1	172.6	-0.8	0	0	122.3
1389	K	25.9	Very low	29.8	Very low	168 Å²	168	131.8 Å²	131.8	73%	0.73	73%	0.732	S	S	*	*				56.7	144	117.4	-70.6	-159.1	172	-162.6	0	122.9
1390	P	46.5	Very low	30.7	Very low	120 Å²	120	130.8 Å²	130.8	78%	0.779	72%	0.722	S	S	*	*			trans	-103.4	-174.7	-179	43.2	-38.6	0	0	0	114.6
1391	K	27	Very low	32.3	Very low	184 Å²	184	129.2 Å²	129.2	80%	0.8	71%	0.714	S	S	*	*			trans	-167.9	160	135.1	-91.1	-139.9	173.1	-167.8	0	111.2
1392	P	41.2	Very low	34	Very low	116 Å²	116	129.4 Å²	129.4	75%	0.753	71%	0.706	S	S	*	*			trans	-137.3	-164.7	-137.7	44.5	-27.5	0	0	0	118.1
1393	A	33.8	Very low	35.7	Very low	96 Å²	96	124.5 Å²	124.5	79%	0.793	68%	0.68	S	S	*	*			trans	78.8	155.4	165	0	0	0	0	0	118
1394	R	33.1	Very low	36.9	Very low	213 Å²	213	124.2 Å²	124.2	80%	0.804	68%	0.677	S	S	*	*			cis	-164.5	155.3	17.1	-160.2	-164.6	163.3	163.6	-1	112.7
1395	I	32.7	Very low	39	Very low	135 Å²	135	120 Å²	120	69%	0.692	66%	0.663	S	S	*	*			trans	58.3	154.9	156.5	48.9	172.4	0	0	0	121.1
1396	I	29.5	Very low	40.6	Very low	154 Å²	154	117.8 Å²	117.8	79%	0.79	66%	0.657	S	S	*	*			cis	-137.4	148.3	1.4	-45.3	163.1	0	0	0	108.8
1397	G	30.4	Very low	42.4	Very low	64 Å²	64	116 Å²	116	66%	0.66	64%	0.639	S	S	*	*			trans	-174.2	121.4	150.1	0	0	0	0	0	108.7	I1399	G1397-I1399 PolarHBondContact O-N 3.29Å
1398	N	35.3	Very low	44.3	Very low	149 Å²	149	111.6 Å²	111.6	80%	0.797	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-52.9	123.7	-177.3	-67.7	45	0	0	0	110.9
1399	I	36	Very low	46.3	Very low	100 Å²	100	105.1 Å²	105.1	51%	0.513	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-103.9	161.9	133.2	-35.8	178.4	0	0	0	104.6	G1397 P1408 D1410	G1397-I1399 PolarHBondContact O-N 3.29Å; I1399-P1408 HydrophobicContact CB-CB 4.09Å; I1399-P1408 HydrophobicContact CD1-CB 3.88Å; I1399-P1408 HydrophobicContact CD1-CG 4.05Å; I1399-P1408 HydrophobicContact CG2-CB 3.54Å; I1399-D1410 WeakPolarHBondContact CG2-OD1 3.49Å
1400	N	45	Very low	47.9	Very low	88 Å²	88	103 Å²	103	47%	0.471	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-81.2	169.5	158.8	-68.3	-9.1	0	0	0	108.6	D1409	N1400-D1409 HydrophobicContact CB-CB 4.33Å; N1400-D1409 WeakPolarHBondContact CB-OD1 3.38Å; N1400-D1409 WeakPolarHBondContact CB-OD2 3.2Å
1401	D	59.8	Low	48.7	Very low	81 Å²	81	103 Å²	103	43%	0.433	57%	0.572	S	S	.	*			trans	178.3	67.7	-151.6	-180	-0.6	0	0	0	102	C1404 D1409	D1401-C1404 PolarHBondContact O-SG 3.04Å; D1401-C1404 WeakPolarHBondContact OD1-CA 3.1Å; D1401-D1409 PolarHBondContact N-OD1 3.43Å
1402	H	58.3	Low	50.3	Low	122 Å²	122	95.4 Å²	95.4	57%	0.565	54%	0.54	S	S	*	.	S	Bend	trans	-81.7	-44.4	-159.2	-96.3	109.4	0	0	0	113.5	D1409 I1415	H1402-D1409 IonicContact CE1-OD2 3.62Å; H1402-D1409 PolarHBondContact CE1-OD2 3.25Å; H1402-D1409 IonicContact CG-OD2 2.59Å; H1402-D1409 PolarHBondContact N-OD1 3.49Å; H1402-D1409 IonicContact ND1-OD1 2.59Å; H1402-D1409 IonicContact ND1-OD2 2.66Å; H1402-D1409 PolarHBondContact ND1-OD2 2.86Å; H1402-I1415 HydrophobicContact CB-CG2 4.13Å
1403	D	58.8	Low	51.6	Low	42 Å²	42	96.7 Å²	96.7	23%	0.225	54%	0.536	C	S	.	.	S	Bend	trans	-71.3	-36.6	171.1	73.3	-48.7	0	0	0	113.4	D1405 N1417	D1403-D1405 VanDerWaalsContact OD2-CB 3.23Å; D1403-D1405 WeakPolarHBondContact OD2-CB 3.31Å; D1403-D1405 PolarHBondContact OD2-N 2.86Å; D1403-N1417 HydrophobicContact CB-CB 3.65Å
1404	C	53.6	Low	53.5	Low	93 Å²	93	93.2 Å²	93.2	63%	0.628	50%	0.504	S	S	*	.			trans	79	26.3	-175.1	-59.7	0	0	0	0	119.5	D1401	D1401-C1404 PolarHBondContact O-SG 3.04Å; D1401-C1404 WeakPolarHBondContact OD1-CA 3.1Å
1405	D	67.6	Low	55.5	Low	96 Å²	96	85.3 Å²	85.3	51%	0.513	48%	0.477	S	S	.	.	S	Bend	trans	-68.8	-37.5	169.8	105.8	-47.8	0	0	0	112.1	D1403 I1407	D1403-D1405 VanDerWaalsContact OD2-CB 3.23Å; D1403-D1405 WeakPolarHBondContact OD2-CB 3.31Å; D1403-D1405 PolarHBondContact OD2-N 2.86Å; D1405-I1407 WeakPolarHBondContact OD1-CB 3.46Å; D1405-I1407 WeakPolarHBondContact OD1-CG1 3.48Å; D1405-I1407 PolarHBondContact OD1-N 3.14Å
1406	G	59.6	Low	57.2	Low	58 Å²	58	84.1 Å²	84.1	60%	0.598	47%	0.473	S	S	*	.	S	Bend	trans	116.3	5.4	178.8	0	0	0	0	0	116.6
1407	I	65.9	Low	58.6	Low	64 Å²	64	80.3 Å²	80.3	33%	0.328	45%	0.454	S	S	.	.			trans	-68	156.9	149.2	-57.6	171.6	0	0	0	107.8	D1405 I1411 D1412	D1405-I1407 WeakPolarHBondContact OD1-CB 3.46Å; D1405-I1407 WeakPolarHBondContact OD1-CG1 3.48Å; D1405-I1407 PolarHBondContact OD1-N 3.14Å; I1407-I1411 WeakPolarHBondContact CG2-O 3.33Å; I1407-D1412 VanDerWaalsContact CB-OD2 3.28Å; I1407-D1412 WeakPolarHBondContact CB-OD2 3.44Å; I1407-D1412 HydrophobicContact CG2-CB 3.7Å; I1407-D1412 VanDerWaalsContact CG2-CG 3.42Å; I1407-D1412 WeakPolarHBondContact CG2-OD2 3.34Å
1408	P	64.6	Low	60.6	Low	25 Å²	25	79.8 Å²	79.8	16%	0.162	44%	0.436	C	S	.	.			trans	-107.9	148	174	7.6	14.6	0	0	0	112.1	I1399 D1410 I1411 D1412	I1399-P1408 HydrophobicContact CB-CB 4.09Å; I1399-P1408 HydrophobicContact CD1-CB 3.88Å; I1399-P1408 HydrophobicContact CD1-CG 4.05Å; I1399-P1408 HydrophobicContact CG2-CB 3.54Å; P1408-D1410 PolarHBondContact O-N 2.97Å; P1408-I1411 HydrophobicContact CG-CD1 3.91Å; P1408-I1411 HydrophobicContact CG-CG1 4.09Å; P1408-I1411 CarbonylContact O-C 3.57Å; P1408-I1411 PolarHBondContact O-N 3.22Å; P1408-D1412 PolarHBondContact O-N 2.78Å; P1408-D1412 VanDerWaalsContact O-N 3.08Å
1409	D	67.5	Low	62	Low	40 Å²	40	75.8 Å²	75.8	21%	0.214	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.3	-23.3	179.1	-57.8	25.2	0	0	0	116.2	N1400 D1401 H1402 I1415	N1400-D1409 HydrophobicContact CB-CB 4.33Å; N1400-D1409 WeakPolarHBondContact CB-OD1 3.38Å; N1400-D1409 WeakPolarHBondContact CB-OD2 3.2Å; D1401-D1409 PolarHBondContact N-OD1 3.43Å; H1402-D1409 IonicContact CE1-OD2 3.62Å; H1402-D1409 PolarHBondContact CE1-OD2 3.25Å; H1402-D1409 IonicContact CG-OD2 2.59Å; H1402-D1409 PolarHBondContact N-OD1 3.49Å; H1402-D1409 IonicContact ND1-OD1 2.59Å; H1402-D1409 IonicContact ND1-OD2 2.66Å; H1402-D1409 PolarHBondContact ND1-OD2 2.86Å; D1409-I1415 HydrophobicContact CB-CD1 4.35Å; D1409-I1415 HydrophobicContact CB-CG1 4.48Å
1410	D	59.1	Low	62.6	Low	122 Å²	122	75.6 Å²	75.6	65%	0.652	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	10	177.2	67.9	-52.2	0	0	0	114.9	I1399 P1408	I1399-D1410 WeakPolarHBondContact CG2-OD1 3.49Å; P1408-D1410 PolarHBondContact O-N 2.97Å
1411	I	65	Low	63.3	Low	122 Å²	122	75.8 Å²	75.8	63%	0.626	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-152.9	9.8	176.3	-19.9	173.5	0	0	0	112.3	I1407 P1408	I1407-I1411 WeakPolarHBondContact CG2-O 3.33Å; P1408-I1411 HydrophobicContact CG-CD1 3.91Å; P1408-I1411 HydrophobicContact CG-CG1 4.09Å; P1408-I1411 CarbonylContact O-C 3.57Å; P1408-I1411 PolarHBondContact O-N 3.22Å
1412	D	60.5	Low	63.1	Low	23 Å²	23	75.7 Å²	75.7	12%	0.123	43%	0.429	C	S	.	.			trans	-92.9	150.4	168.7	-130.8	-32.7	0	0	0	108.8	I1407 P1408 I1415	I1407-D1412 VanDerWaalsContact CB-OD2 3.28Å; I1407-D1412 WeakPolarHBondContact CB-OD2 3.44Å; I1407-D1412 HydrophobicContact CG2-CB 3.7Å; I1407-D1412 VanDerWaalsContact CG2-CG 3.42Å; I1407-D1412 WeakPolarHBondContact CG2-OD2 3.34Å; P1408-D1412 PolarHBondContact O-N 2.78Å; P1408-D1412 VanDerWaalsContact O-N 3.08Å; D1412-I1415 HydrophobicContact CB-CG1 3.96Å
1413	E	68.3	Low	62.5	Low	144 Å²	144	81.1 Å²	81.1	67%	0.673	45%	0.445	S	S	*	.	S	Bend	trans	-116.4	-1.4	176.5	-62.3	175.1	170.9	0	0	111.1	L1421 D1422	E1413-L1421 HydrophobicContact CB-CD2 3.89Å; E1413-L1421 CarbonylContact O-C 3.59Å; E1413-L1421 WeakPolarHBondContact O-CA 3.46Å; E1413-L1421 WeakPolarHBondContact O-CB 3.27Å; E1413-L1421 WeakPolarHBondContact O-CD2 2.83Å; E1413-D1422 VanDerWaalsContact C-OD2 3.31Å; E1413-D1422 PolarHBondContact O-N 2.74Å
1414	D	72.5	Confident	62	Low	23 Å²	23	83.3 Å²	83.3	12%	0.123	46%	0.46	C	S	.	.	S	Bend	trans	-140	85.1	168.7	171.2	1	0	0	0	108.2	D1416 N1417 D1418 G1419 L1420 D1422	D1414-D1416 VanDerWaalsContact C-N 3.3Å; D1414-D1416 PolarHBondContact O-N 3.22Å; D1414-N1417 VanDerWaalsContact CG-CA 3.48Å; D1414-N1417 PolarHBondContact O-N 3.38Å; D1414-N1417 WeakPolarHBondContact OD1-CA 3.43Å; D1414-N1417 PolarHBondContact OD1-N 2.9Å; D1414-N1417 WeakPolarHBondContact OD2-CA 3.48Å; D1414-D1418 PolarHBondContact OD1-N 3.01Å; D1414-D1418 VanDerWaalsContact OD1-N 3.12Å; D1414-D1418 PolarHBondContact OD2-N 3.1Å; D1414-G1419 WeakPolarHBondContact OD2-CA 3.49Å; D1414-G1419 PolarHBondContact OD2-N 3Å; D1414-L1420 WeakPolarHBondContact CB-O 3.46Å; D1414-L1420 VanDerWaalsContact CG-O 3.22Å; D1414-D1422 WeakPolarHBondContact CA-OD2 3.46Å; D1414-D1422 PolarHBondContact N-OD2 2.94Å
1415	I	75.3	Confident	61.3	Low	47 Å²	47	82.1 Å²	82.1	24%	0.241	45%	0.445	C	S	.	.	S	Bend	trans	-69.9	-14.6	-167.5	-76.7	165.2	0	0	0	114.6	H1402 D1409 D1412 D1422	H1402-I1415 HydrophobicContact CB-CG2 4.13Å; D1409-I1415 HydrophobicContact CB-CD1 4.35Å; D1409-I1415 HydrophobicContact CB-CG1 4.48Å; D1412-I1415 HydrophobicContact CB-CG1 3.96Å; I1415-D1422 WeakPolarHBondContact CB-OD1 3.27Å; I1415-D1422 WeakPolarHBondContact CB-OD2 3.12Å; I1415-D1422 WeakPolarHBondContact CD1-OD2 3.43Å; I1415-D1422 WeakPolarHBondContact CG1-OD2 3.24Å; I1415-D1422 PolarHBondContact N-OD1 3.19Å; I1415-D1422 PolarHBondContact N-OD2 2.93Å
1416	D	69	Low	60	Low	110 Å²	110	79.2 Å²	79.2	59%	0.588	43%	0.43	S	S	*	.	S	Bend	trans	-116.1	1.5	171.9	101.3	-10.2	0	0	0	116.3	D1414	D1414-D1416 VanDerWaalsContact C-N 3.3Å; D1414-D1416 PolarHBondContact O-N 3.22Å
1417	N	59.2	Low	59.1	Low	74 Å²	74	82.4 Å²	82.4	40%	0.396	44%	0.443	S	S	.	.			trans	62.2	49.1	169.8	-139.2	-86.7	0	0	0	112.2	D1403 D1414	D1403-N1417 HydrophobicContact CB-CB 3.65Å; D1414-N1417 VanDerWaalsContact CG-CA 3.48Å; D1414-N1417 PolarHBondContact O-N 3.38Å; D1414-N1417 WeakPolarHBondContact OD1-CA 3.43Å; D1414-N1417 PolarHBondContact OD1-N 2.9Å; D1414-N1417 WeakPolarHBondContact OD2-CA 3.48Å
1418	D	71.6	Confident	58.4	Low	52 Å²	52	84.5 Å²	84.5	28%	0.278	46%	0.455	S	S	.	.	S	Bend	trans	-98.6	-12.3	179.6	99	-12.1	0	0	0	114.3	Q393 D1414 L1420 Q1425	Q393-D1418 PolarHBondContact NE2-O 3.37Å; D1414-D1418 PolarHBondContact OD1-N 3.01Å; D1414-D1418 VanDerWaalsContact OD1-N 3.12Å; D1414-D1418 PolarHBondContact OD2-N 3.1Å; D1418-L1420 PolarHBondContact OD1-N 2.69Å; D1418-L1420 VanDerWaalsContact OD1-N 3.12Å; D1418-Q1425 PolarHBondContact OD1-NE2 2.73Å; D1418-Q1425 PolarHBondContact OD2-NE2 3.14Å
1419	G	65.3	Low	57.2	Low	66 Å²	66	93.7 Å²	93.7	68%	0.68	49%	0.486	S	S	*	.	S	Bend	trans	108	-6.5	177.4	0	0	0	0	0	114.4	D1414	D1414-G1419 WeakPolarHBondContact OD2-CA 3.49Å; D1414-G1419 PolarHBondContact OD2-N 3Å
1420	L	48.9	Very low	56.5	Low	95 Å²	95	96.2 Å²	96.2	50%	0.497	50%	0.5	S	S	.	.	S	Bend	trans	-108	140.8	172.9	-63.1	173.4	0	0	0	110.4	D1414 D1418 Q1425	D1414-L1420 WeakPolarHBondContact CB-O 3.46Å; D1414-L1420 VanDerWaalsContact CG-O 3.22Å; D1418-L1420 PolarHBondContact OD1-N 2.69Å; D1418-L1420 VanDerWaalsContact OD1-N 3.12Å; L1420-Q1425 HydrophobicContact CB-CG 4.26Å; L1420-Q1425 HydrophobicContact CD1-CG 4.46Å
1421	L	58.3	Low	55.7	Low	93 Å²	93	93.5 Å²	93.5	49%	0.487	50%	0.5	S	S	.	.			trans	-69.1	145	177.1	-59.2	172	0	0	0	110.2	E1413 R1423 T1424	E1413-L1421 HydrophobicContact CB-CD2 3.89Å; E1413-L1421 CarbonylContact O-C 3.59Å; E1413-L1421 WeakPolarHBondContact O-CA 3.46Å; E1413-L1421 WeakPolarHBondContact O-CB 3.27Å; E1413-L1421 WeakPolarHBondContact O-CD2 2.83Å; L1421-R1423 PolarHBondContact O-N 2.89Å; L1421-T1424 PolarHBondContact O-N 2.93Å; L1421-T1424 PolarHBondContact O-OG1 2.9Å; L1421-T1424 VanDerWaalsContact O-OG1 3.08Å
1422	D	55.5	Low	54.3	Low	78 Å²	78	93.3 Å²	93.3	42%	0.417	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-12.1	177.8	-71.5	-71.3	0	0	0	114	E1413 D1414 I1415	E1413-D1422 VanDerWaalsContact C-OD2 3.31Å; E1413-D1422 PolarHBondContact O-N 2.74Å; D1414-D1422 WeakPolarHBondContact CA-OD2 3.46Å; D1414-D1422 PolarHBondContact N-OD2 2.94Å; I1415-D1422 WeakPolarHBondContact CB-OD1 3.27Å; I1415-D1422 WeakPolarHBondContact CB-OD2 3.12Å; I1415-D1422 WeakPolarHBondContact CD1-OD2 3.43Å; I1415-D1422 WeakPolarHBondContact CG1-OD2 3.24Å; I1415-D1422 PolarHBondContact N-OD1 3.19Å; I1415-D1422 PolarHBondContact N-OD2 2.93Å
1423	R	46.2	Very low	52.9	Low	236 Å²	236	99.6 Å²	99.6	89%	0.891	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-17.3	174.5	-76.1	177.4	140.6	-163.6	-13.9	114.2	L1421	L1421-R1423 PolarHBondContact O-N 2.89Å
1424	T	48	Very low	51.4	Low	89 Å²	89	95.8 Å²	95.8	55%	0.546	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-3.2	-175.8	61.2	0	0	0	0	114.5	L1421	L1421-T1424 PolarHBondContact O-N 2.93Å; L1421-T1424 PolarHBondContact O-OG1 2.9Å; L1421-T1424 VanDerWaalsContact O-OG1 3.08Å
1425	Q	39.9	Very low	49.5	Very low	67 Å²	67	102.8 Å²	102.8	31%	0.313	55%	0.549	S	S	.	.			trans	-94	126.9	176.5	-66.2	-140.3	14.9	0	0	113.4	D1418 L1420	D1418-Q1425 PolarHBondContact OD1-NE2 2.73Å; D1418-Q1425 PolarHBondContact OD2-NE2 3.14Å; L1420-Q1425 HydrophobicContact CB-CG 4.26Å; L1420-Q1425 HydrophobicContact CD1-CG 4.46Å
1426	D	40.2	Very low	48	Very low	36 Å²	36	106 Å²	106	19%	0.193	57%	0.571	C	S	.	*			trans	-66.3	157.3	163.8	83.8	29.3	0	0	0	110.9	D1428 W1429 D1430 G1431	D1426-D1428 PolarHBondContact OD1-N 2.7Å; D1426-W1429 WeakPolarHBondContact OD1-CA 3.05Å; D1426-W1429 PolarHBondContact OD1-N 2.69Å; D1426-D1430 PolarHBondContact OD2-N 3.23Å; D1426-G1431 PolarHBondContact OD2-N 3.31Å
1427	S	40.9	Very low	46.3	Very low	124 Å²	124	107.2 Å²	107.2	87%	0.867	58%	0.577	S	S	*	*	S	Bend	trans	-100.4	2.6	-174.9	-76.6	0	0	0	0	114.8
1428	D	49.6	Very low	45.6	Very low	109 Å²	109	110.6 Å²	110.6	58%	0.583	59%	0.591	S	S	*	*	S	Bend	trans	-136.5	4.3	179.8	77.4	-29.7	0	0	0	117.2	D1426 D1430 N1434	D1426-D1428 PolarHBondContact OD1-N 2.7Å; D1428-D1430 WeakPolarHBondContact OD1-CB 3.46Å; D1428-N1434 PolarHBondContact OD1-ND2 3.36Å
1429	W	39.9	Very low	45	Very low	218 Å²	218	109.6 Å²	109.6	83%	0.826	59%	0.585	S	S	*	*	S	Bend	trans	58.4	61.9	177	-75.6	25	0	0	0	112.5	D1426	D1426-W1429 WeakPolarHBondContact OD1-CA 3.05Å; D1426-W1429 PolarHBondContact OD1-N 2.69Å
1430	D	54.1	Low	45	Very low	92 Å²	92	112 Å²	112	49%	0.492	58%	0.583	S	S	.	*	S	Bend	trans	-119.5	-22.3	-171	155.5	-87.7	0	0	0	111.8	D1426 D1428 N1434	D1426-D1430 PolarHBondContact OD2-N 3.23Å; D1428-D1430 WeakPolarHBondContact OD1-CB 3.46Å; D1430-N1434 PolarHBondContact OD1-ND2 2.66Å
1431	G	40.9	Very low	45.8	Very low	65 Å²	65	110.5 Å²	110.5	67%	0.67	58%	0.575	S	S	*	*	S	Bend	trans	86	23.2	172	0	0	0	0	0	113.9	D1426	D1426-G1431 PolarHBondContact OD2-N 3.31Å
1432	L	36.2	Very low	45.5	Very low	119 Å²	119	111.5 Å²	111.5	62%	0.623	58%	0.581	S	S	*	*	S	Bend	trans	-136.2	139.1	175	-64.9	170	0	0	0	109	N1434	L1432-N1434 VanDerWaalsContact C-N 3.32Å; L1432-N1434 WeakPolarHBondContact O-CB 3.32Å; L1432-N1434 PolarHBondContact O-N 2.78Å
1433	L	31.4	Very low	46.3	Very low	154 Å²	154	112.6 Å²	112.6	81%	0.806	59%	0.586	S	S	*	*			trans	-63.8	90.1	172	-86.6	160.9	0	0	0	110.1
1434	N	36.9	Very low	47	Very low	65 Å²	65	104.4 Å²	104.4	35%	0.348	58%	0.575	S	S	.	*			trans	-117.5	42.9	-164.8	70.2	14.6	0	0	0	113.4	D1428 D1430 L1432 V1436	D1428-N1434 PolarHBondContact OD1-ND2 3.36Å; D1430-N1434 PolarHBondContact OD1-ND2 2.66Å; L1432-N1434 VanDerWaalsContact C-N 3.32Å; L1432-N1434 WeakPolarHBondContact O-CB 3.32Å; L1432-N1434 PolarHBondContact O-N 2.78Å; N1434-V1436 PolarHBondContact O-N 2.97Å; N1434-V1436 VanDerWaalsContact O-N 3.14Å
1435	H	32.8	Very low	47.4	Very low	169 Å²	169	103.2 Å²	103.2	78%	0.782	57%	0.565	S	S	*	*			trans	-53.9	120.6	175.7	63.6	-94.7	0	0	0	111.7
1436	V	43	Very low	48.4	Very low	116 Å²	116	102.1 Å²	102.1	70%	0.703	56%	0.564	S	S	*	*			trans	162.6	96.3	149.3	158.7	0	0	0	0	107.9	N1434	N1434-V1436 PolarHBondContact O-N 2.97Å; N1434-V1436 VanDerWaalsContact O-N 3.14Å
1437	D	33.2	Very low	49.5	Very low	135 Å²	135	102.9 Å²	102.9	72%	0.722	57%	0.568	S	S	*	*			trans	-72.1	131.2	144.3	-128.3	-14.3	0	0	0	105.4	D1439 P1446	D1437-D1439 PolarHBondContact O-N 3.46Å; D1437-P1446 HydrophobicContact CB-CB 4.48Å; D1437-P1446 HydrophobicContact CB-CG 4.26Å
1438	E	43.8	Very low	50.2	Low	145 Å²	145	104.6 Å²	104.6	68%	0.678	57%	0.566	S	S	*	*			trans	-59.2	112.2	-174.6	-64.5	177.1	141.3	0	0	110.9	P1446 D1447	E1438-P1446 CarbonylContact O-C 3.56Å; E1438-P1446 WeakPolarHBondContact O-CA 3.34Å; E1438-D1447 HydrophobicContact CB-CB 4.38Å; E1438-D1447 VanDerWaalsContact O-CB 3.28Å; E1438-D1447 WeakPolarHBondContact O-CB 3.32Å; E1438-D1447 PolarHBondContact O-N 3.42Å
1439	D	59.6	Low	50.5	Low	31 Å²	31	107.4 Å²	107.4	17%	0.166	58%	0.575	C	S	.	*			trans	-128.1	90.6	170.9	-175.9	-28.6	0	0	0	107.5	D1437 D1441 N1442 D1443 G1444 I1445	D1437-D1439 PolarHBondContact O-N 3.46Å; D1439-D1441 PolarHBondContact O-N 3.49Å; D1439-N1442 VanDerWaalsContact OD1-CA 3.29Å; D1439-N1442 WeakPolarHBondContact OD1-CA 3.41Å; D1439-N1442 PolarHBondContact OD1-N 3.3Å; D1439-D1443 PolarHBondContact OD1-N 2.84Å; D1439-G1444 WeakPolarHBondContact OD2-CA 3.49Å; D1439-G1444 PolarHBondContact OD2-N 3.25Å; D1439-I1445 PolarHBondContact OD2-N 3.34Å
1440	D	64.6	Low	51.3	Low	117 Å²	117	99.1 Å²	99.1	63%	0.626	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	4.2	-167.4	-150.4	38.4	0	0	0	112.6	D1447 A1453	D1440-D1447 WeakPolarHBondContact CB-OD1 3.19Å; D1440-D1447 PolarHBondContact N-OD1 2.86Å; D1440-A1453 CarbonylContact C-O 3.55Å; D1440-A1453 WeakPolarHBondContact CA-O 2.93Å; D1440-A1453 VanDerWaalsContact CB-O 3.3Å; D1440-A1453 WeakPolarHBondContact CB-O 3.15Å
1441	D	67.2	Low	51.8	Low	62 Å²	62	101 Å²	101	33%	0.332	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-140.8	5.8	171.8	94.9	-43.6	0	0	0	118.8	D1439 D1443 A1453 G1455	D1439-D1441 PolarHBondContact O-N 3.49Å; D1441-D1443 WeakPolarHBondContact OD1-CB 3.38Å; D1441-A1453 WeakPolarHBondContact CB-O 3.32Å; D1441-A1453 PolarHBondContact N-O 2.74Å; D1441-G1455 VanDerWaalsContact CB-N 3.33Å; D1441-G1455 WeakPolarHBondContact OD2-CA 3.47Å; D1441-G1455 PolarHBondContact OD2-N 2.75Å
1442	N	51	Low	53.6	Low	114 Å²	114	99.7 Å²	99.7	61%	0.61	53%	0.531	S	S	*	.			trans	54	43.9	-178.4	-76.9	-7.1	0	0	0	113.4	D1439	D1439-N1442 VanDerWaalsContact OD1-CA 3.29Å; D1439-N1442 WeakPolarHBondContact OD1-CA 3.41Å; D1439-N1442 PolarHBondContact OD1-N 3.3Å
1443	D	73.7	Confident	55.2	Low	101 Å²	101	94.5 Å²	94.5	54%	0.54	51%	0.505	S	S	.	.	S	Bend	trans	-79.7	-19.5	172.5	-176.8	-98.1	0	0	0	112.3	D1439 D1441 I1445	D1439-D1443 PolarHBondContact OD1-N 2.84Å; D1441-D1443 WeakPolarHBondContact OD1-CB 3.38Å; D1443-I1445 VanDerWaalsContact OD1-CD1 3.25Å; D1443-I1445 WeakPolarHBondContact OD1-CD1 3.22Å; D1443-I1445 WeakPolarHBondContact OD1-CG1 3.48Å
1444	G	60.3	Low	57	Low	64 Å²	64	90.9 Å²	90.9	66%	0.66	49%	0.486	S	S	*	.	S	Bend	trans	87.5	30.6	-172.7	0	0	0	0	0	112.2	D1439	D1439-G1444 WeakPolarHBondContact OD2-CA 3.49Å; D1439-G1444 PolarHBondContact OD2-N 3.25Å
1445	I	56.6	Low	58	Low	64 Å²	64	89.8 Å²	89.8	33%	0.328	49%	0.491	S	S	.	.	S	Bend	trans	-143.9	108.4	178.5	-55.3	-178.7	0	0	0	107.9	D1439 D1443 E1449 D1450	D1439-I1445 PolarHBondContact OD2-N 3.34Å; D1443-I1445 VanDerWaalsContact OD1-CD1 3.25Å; D1443-I1445 WeakPolarHBondContact OD1-CD1 3.22Å; D1443-I1445 WeakPolarHBondContact OD1-CG1 3.48Å; I1445-E1449 HydrophobicContact CG2-CB 4.01Å; I1445-D1450 HydrophobicContact CB-CB 4.19Å; I1445-D1450 HydrophobicContact CG2-CB 3.8Å
1446	P	60.8	Low	60	Low	44 Å²	44	86.8 Å²	86.8	29%	0.286	48%	0.48	S	S	.	.			trans	-54.4	145.3	-179.8	-28.3	35.1	0	0	0	113.6	D1437 E1438 I1448 E1449 D1450	D1437-P1446 HydrophobicContact CB-CB 4.48Å; D1437-P1446 HydrophobicContact CB-CG 4.26Å; E1438-P1446 CarbonylContact O-C 3.56Å; E1438-P1446 WeakPolarHBondContact O-CA 3.34Å; P1446-I1448 PolarHBondContact O-N 3.18Å; P1446-E1449 PolarHBondContact O-N 2.86Å; P1446-D1450 PolarHBondContact O-N 3.47Å
1447	D	63.1	Low	60.9	Low	53 Å²	53	83.7 Å²	83.7	28%	0.283	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-27.8	-174.4	-96.1	23.6	0	0	0	115.2	E1438 D1440	E1438-D1447 HydrophobicContact CB-CB 4.38Å; E1438-D1447 VanDerWaalsContact O-CB 3.28Å; E1438-D1447 WeakPolarHBondContact O-CB 3.32Å; E1438-D1447 PolarHBondContact O-N 3.42Å; D1440-D1447 WeakPolarHBondContact CB-OD1 3.19Å; D1440-D1447 PolarHBondContact N-OD1 2.86Å
1448	I	56.2	Low	61.6	Low	159 Å²	159	81.9 Å²	81.9	82%	0.815	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-18	-178.1	-153.4	167	0	0	0	113.5	P1446	P1446-I1448 PolarHBondContact O-N 3.18Å
1449	E	55.6	Low	61.9	Low	168 Å²	168	76.5 Å²	76.5	79%	0.785	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	-26.5	178	-71.4	-97	128.5	0	0	113.3	I1445 P1446	I1445-E1449 HydrophobicContact CG2-CB 4.01Å; P1446-E1449 PolarHBondContact O-N 2.86Å
1450	D	56	Low	61.7	Low	45 Å²	45	80 Å²	80	24%	0.241	46%	0.458	C	S	.	.			trans	-73.5	159.6	177.1	-169.9	41.5	0	0	0	114.3	I1445 P1446 D1452 A1453	I1445-D1450 HydrophobicContact CB-CB 4.19Å; I1445-D1450 HydrophobicContact CG2-CB 3.8Å; P1446-D1450 PolarHBondContact O-N 3.47Å; D1450-D1452 VanDerWaalsContact OD2-CA 3.29Å; D1450-D1452 WeakPolarHBondContact OD2-CA 3.15Å; D1450-D1452 PolarHBondContact OD2-N 3.06Å; D1450-A1453 PolarHBondContact OD2-N 3.1Å
1451	E	65.8	Low	60.4	Low	132 Å²	132	79.3 Å²	79.3	62%	0.617	46%	0.461	S	S	*	.	S	Bend	trans	-96.7	-15.1	176.1	-98.5	-165.7	-166.9	0	0	114.4	P1459 D1460	E1451-P1459 HydrophobicContact CB-CB 4.24Å; E1451-P1459 CarbonylContact O-C 3.37Å; E1451-P1459 VanDerWaalsContact O-C 3.22Å; E1451-P1459 WeakPolarHBondContact O-CA 3.31Å; E1451-P1459 WeakPolarHBondContact O-CB 3.33Å; E1451-D1460 PolarHBondContact O-N 3.46Å
1452	D	77.4	Confident	58.7	Low	36 Å²	36	84.8 Å²	84.8	19%	0.193	48%	0.477	C	S	.	.	S	Bend	trans	-134.1	-9.9	-165.8	-142	-12	0	0	0	116.1	D1450 N1454 G1457 I1458 P1459	D1450-D1452 VanDerWaalsContact OD2-CA 3.29Å; D1450-D1452 WeakPolarHBondContact OD2-CA 3.15Å; D1450-D1452 PolarHBondContact OD2-N 3.06Å; D1452-N1454 VanDerWaalsContact C-N 3.25Å; D1452-N1454 PolarHBondContact O-N 2.93Å; D1452-G1457 PolarHBondContact OD1-N 2.93Å; D1452-G1457 VanDerWaalsContact OD2-C 3.29Å; D1452-G1457 VanDerWaalsContact OD2-CA 3.25Å; D1452-G1457 WeakPolarHBondContact OD2-CA 3.25Å; D1452-I1458 WeakPolarHBondContact OD1-CA 2.99Å; D1452-I1458 PolarHBondContact OD1-N 3.2Å; D1452-I1458 PolarHBondContact OD2-N 3.44Å; D1452-P1459 HydrophobicContact CB-CG 4.11Å; D1452-P1459 VanDerWaalsContact OD1-N 3.12Å; D1452-P1459 VanDerWaalsContact OD2-CD 3.25Å; D1452-P1459 WeakPolarHBondContact OD2-CD 3.44Å
1453	A	71.3	Confident	57.5	Low	11 Å²	11	83.9 Å²	83.9	9%	0.091	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	30	-41.1	168.1	0	0	0	0	0	121.4	D1440 D1441 D1450	D1440-A1453 CarbonylContact C-O 3.55Å; D1440-A1453 WeakPolarHBondContact CA-O 2.93Å; D1440-A1453 VanDerWaalsContact CB-O 3.3Å; D1440-A1453 WeakPolarHBondContact CB-O 3.15Å; D1441-A1453 WeakPolarHBondContact CB-O 3.32Å; D1441-A1453 PolarHBondContact N-O 2.74Å; D1450-A1453 PolarHBondContact OD2-N 3.1Å
1454	N	67.7	Low	55.4	Low	77 Å²	77	86.6 Å²	86.6	41%	0.412	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	18.2	-175.4	51.9	90.4	0	0	0	113.6	D1452 D1456 D1460	D1452-N1454 VanDerWaalsContact C-N 3.25Å; D1452-N1454 PolarHBondContact O-N 2.93Å; N1454-D1456 PolarHBondContact O-N 2.89Å; N1454-D1456 WeakPolarHBondContact OD1-CB 3.39Å; N1454-D1460 PolarHBondContact ND2-OD2 3.23Å; N1454-D1460 VanDerWaalsContact ND2-OD2 3.1Å
1455	G	58.5	Low	53.9	Low	43 Å²	43	90.6 Å²	90.6	44%	0.443	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	10.2	170.9	0	0	0	0	0	117.6	D1441 G1457	D1441-G1455 VanDerWaalsContact CB-N 3.33Å; D1441-G1455 WeakPolarHBondContact OD2-CA 3.47Å; D1441-G1455 PolarHBondContact OD2-N 2.75Å; G1455-G1457 VanDerWaalsContact C-N 3.31Å
1456	D	73.9	Confident	52.5	Low	105 Å²	105	92.7 Å²	92.7	56%	0.561	53%	0.526	S	S	*	.	S	Bend	trans	-71.2	-25.8	177.9	162.5	-74.4	0	0	0	112.1	N1454 I1458	N1454-D1456 PolarHBondContact O-N 2.89Å; N1454-D1456 WeakPolarHBondContact OD1-CB 3.39Å; D1456-I1458 WeakPolarHBondContact OD1-CB 3.48Å; D1456-I1458 WeakPolarHBondContact OD1-CD1 3.17Å; D1456-I1458 WeakPolarHBondContact OD1-CG1 3.49Å
1457	G	63	Low	51	Low	52 Å²	52	98.4 Å²	98.4	54%	0.536	55%	0.554	S	S	.	*	S	Bend	trans	86.5	29.5	179.6	0	0	0	0	0	113.9	D1452 G1455	D1452-G1457 PolarHBondContact OD1-N 2.93Å; D1452-G1457 VanDerWaalsContact OD2-C 3.29Å; D1452-G1457 VanDerWaalsContact OD2-CA 3.25Å; D1452-G1457 WeakPolarHBondContact OD2-CA 3.25Å; G1455-G1457 VanDerWaalsContact C-N 3.31Å
1458	I	48.5	Very low	49.3	Very low	96 Å²	96	102.6 Å²	102.6	49%	0.492	58%	0.576	S	S	.	*	S	Bend	trans	-137.5	88.5	179.3	-54.3	175.7	0	0	0	110.4	D1452 D1456 D1460	D1452-I1458 WeakPolarHBondContact OD1-CA 2.99Å; D1452-I1458 PolarHBondContact OD1-N 3.2Å; D1452-I1458 PolarHBondContact OD2-N 3.44Å; D1456-I1458 WeakPolarHBondContact OD1-CB 3.48Å; D1456-I1458 WeakPolarHBondContact OD1-CD1 3.17Å; D1456-I1458 WeakPolarHBondContact OD1-CG1 3.49Å; I1458-D1460 PolarHBondContact O-N 2.69Å
1459	P	48.6	Very low	48.2	Very low	32 Å²	32	103.6 Å²	103.6	21%	0.208	57%	0.574	C	S	.	*			trans	-46.7	129.3	-174.5	-40.1	41.5	0	0	0	116.8	E1451 D1452 C1461 R1462	E1451-P1459 HydrophobicContact CB-CB 4.24Å; E1451-P1459 CarbonylContact O-C 3.37Å; E1451-P1459 VanDerWaalsContact O-C 3.22Å; E1451-P1459 WeakPolarHBondContact O-CA 3.31Å; E1451-P1459 WeakPolarHBondContact O-CB 3.33Å; D1452-P1459 HydrophobicContact CB-CG 4.11Å; D1452-P1459 VanDerWaalsContact OD1-N 3.12Å; D1452-P1459 VanDerWaalsContact OD2-CD 3.25Å; D1452-P1459 WeakPolarHBondContact OD2-CD 3.44Å; P1459-C1461 PolarHBondContact O-N 3.43Å; P1459-R1462 VanDerWaalsContact O-CB 3.3Å; P1459-R1462 WeakPolarHBondContact O-CB 3.39Å; P1459-R1462 PolarHBondContact O-N 2.79Å
1460	D	55.5	Low	46.9	Very low	106 Å²	106	104 Å²	104	57%	0.567	58%	0.581	S	S	*	*	S	Bend	trans	-61.9	-16.9	-168.2	-101.1	-56.7	0	0	0	115	E1451 N1454 I1458 R1462	E1451-D1460 PolarHBondContact O-N 3.46Å; N1454-D1460 PolarHBondContact ND2-OD2 3.23Å; N1454-D1460 VanDerWaalsContact ND2-OD2 3.1Å; I1458-D1460 PolarHBondContact O-N 2.69Å; D1460-R1462 PolarHBondContact O-N 3.46Å
1461	C	37.8	Very low	45.7	Very low	101 Å²	101	111.2 Å²	111.2	68%	0.682	61%	0.61	S	S	*	*			trans	-62	16	171.6	71.4	0	0	0	0	115.1	P1459	P1459-C1461 PolarHBondContact O-N 3.43Å
1462	R	32.2	Very low	44	Very low	177 Å²	177	110.9 Å²	110.9	67%	0.668	62%	0.617	S	S	*	*			trans	-120.4	40.5	-162.6	-145	179.2	-140.5	133.8	27.5	118.9	P1459 D1460	P1459-R1462 VanDerWaalsContact O-CB 3.3Å; P1459-R1462 WeakPolarHBondContact O-CB 3.39Å; P1459-R1462 PolarHBondContact O-N 2.79Å; D1460-R1462 PolarHBondContact O-N 3.46Å
1463	S	26.2	Very low	41.8	Very low	95 Å²	95	120.5 Å²	120.5	66%	0.664	65%	0.65	S	S	*	*			trans	71.2	120.2	135.3	69.5	0	0	0	0	121.2
1464	D	27.8	Very low	39.7	Very low	159 Å²	159	130.1 Å²	130.1	85%	0.85	69%	0.686	S	S	*	*			trans	50.7	82.1	136.3	-67.8	-24.2	0	0	0	118.6
1465	V	29.7	Very low	37.9	Very low	147 Å²	147	135.1 Å²	135.1	89%	0.891	70%	0.704	S	S	*	*			trans	-156.5	113.4	131.6	-105.2	0	0	0	0	113.2
1466	S	27.8	Very low	36.6	Very low	109 Å²	109	141.1 Å²	141.1	76%	0.762	72%	0.718	S	S	*	*			trans	-80.3	137.3	156.6	42.9	0	0	0	0	111.2
1467	D	28.7	Very low	34.6	Very low	164 Å²	164	145.7 Å²	145.7	88%	0.877	73%	0.733	S	S	*	*			trans	-172.9	151.7	130.4	-108.6	-21.5	0	0	0	113.1
1468	L	28.1	Very low	32.8	Very low	140 Å²	140	149.8 Å²	149.8	73%	0.733	74%	0.74	S	S	*	*			trans	-73.7	152.5	-170	-101.5	67.3	0	0	0	116.5
1469	K	31.8	Very low	32	Very low	181 Å²	181	156.1 Å²	156.1	79%	0.787	76%	0.757	S	S	*	*			trans	69.5	115.7	148.1	-70.9	164.4	175.2	163.3	0	119.7
1470	L	28.4	Very low	31.7	Very low	177 Å²	177	158.4 Å²	158.4	93%	0.927	76%	0.764	S	S	*	*				-166	128.2	123.8	-107.9	159.6	0	0	0	112.3
1471	K	31.4	Very low	31.2	Very low	195 Å²	195	158.6 Å²	158.6	85%	0.848	76%	0.764	S	S	*	*			trans	-73.9	158.5	178.6	-72.5	-160.9	173	-161.7	0	113.3
1472	V	30.3	Very low	32.6	Very low	126 Å²	126	156.3 Å²	156.3	76%	0.764	75%	0.745	S	S	*	*			trans	76.7	106.6	158.5	-155	0	0	0	0	118.5
1473	R	30.4	Very low	34.3	Very low	237 Å²	237	150.3 Å²	150.3	89%	0.894	73%	0.73	S	S	*	*				-179.3	124.1	110.7	-96.6	173.9	-165.5	-135.1	-4.9	113.8
1474	Y	28.5	Very low	36	Very low	213 Å²	213	147.6 Å²	147.6	84%	0.835	71%	0.708	S	S	*	*			trans	-51.6	146.9	162.9	-83.9	-102.5	0	0	0	113.4
1475	K	28.4	Very low	37.3	Very low	182 Å²	182	146.8 Å²	146.8	79%	0.791	70%	0.697	S	S	*	*				-172.2	108.2	105.4	-101.6	-175.9	-168.9	-94.4	0	114.9
1476	K	32.4	Very low	39.5	Very low	170 Å²	170	144.5 Å²	144.5	74%	0.739	68%	0.68	S	S	*	*			trans	44.2	107.9	134.3	-167.6	154.7	-174.9	127.6	0	118.6	M1478	K1476-M1478 HydrophobicContact CD-SD 4.48Å; K1476-M1478 HydrophobicContact CG-SD 4.38Å
1477	K	30.6	Very low	41.4	Very low	200 Å²	200	141.8 Å²	141.8	87%	0.87	67%	0.67	S	S	*	*			trans	-146.4	120.3	136.8	-139	175.3	162.2	-74.1	0	106.2
1478	M	26	Very low	43.3	Very low	138 Å²	138	136.1 Å²	136.1	68%	0.68	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-75.8	146.5	173.1	-29	-69.9	-70.7	0	0	108.4	K1476	K1476-M1478 HydrophobicContact CD-SD 4.48Å; K1476-M1478 HydrophobicContact CG-SD 4.38Å
1479	R	32.5	Very low	45.1	Very low	230 Å²	230	130.7 Å²	130.7	87%	0.868	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-80.4	166.7	133	-74.7	175.6	155.2	148.9	-11.5	106.5
1480	K	41.7	Very low	46.8	Very low	80 Å²	80	123.7 Å²	123.7	35%	0.348	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-68.2	161.1	154.3	-67.8	166.1	100.3	-58.5	0	106.2	P1489 D1491	K1480-P1489 HydrophobicContact CB-CB 3.75Å; K1480-P1489 HydrophobicContact CD-CB 3.82Å; K1480-P1489 HydrophobicContact CD-CG 3.73Å; K1480-P1489 HydrophobicContact CG-CB 4.38Å; K1480-P1489 VanDerWaalsContact NZ-C 3.28Å; K1480-P1489 VanDerWaalsContact NZ-CB 3.31Å; K1480-P1489 PolarHBondContact NZ-O 2.69Å; K1480-D1491 VanDerWaalsContact CE-CG 3.41Å; K1480-D1491 WeakPolarHBondContact CE-OD1 3.4Å; K1480-D1491 WeakPolarHBondContact CE-OD2 3.12Å; K1480-D1491 IonicContact NZ-OD1 3.5Å; K1480-D1491 PolarHBondContact NZ-OD1 3.32Å; K1480-D1491 IonicContact NZ-OD2 2.61Å; K1480-D1491 PolarHBondContact NZ-OD2 3.01Å
1481	I	44.8	Very low	48.5	Very low	110 Å²	110	121.2 Å²	121.2	56%	0.564	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-85.6	171.6	160.1	-57.6	170.3	0	0	0	104.4	S1483 P1489 D1490	I1481-S1483 VanDerWaalsContact CG2-OG 3.3Å; I1481-S1483 WeakPolarHBondContact CG2-OG 3.48Å; I1481-P1489 WeakPolarHBondContact O-CA 3.36Å; I1481-P1489 WeakPolarHBondContact O-CB 3.46Å; I1481-D1490 WeakPolarHBondContact CA-OD1 3.2Å; I1481-D1490 WeakPolarHBondContact CA-OD2 3.22Å; I1481-D1490 WeakPolarHBondContact CB-OD1 3.48Å; I1481-D1490 WeakPolarHBondContact CB-OD2 3.18Å; I1481-D1490 WeakPolarHBondContact CG2-OD1 3.42Å; I1481-D1490 PolarHBondContact N-OD2 2.93Å; I1481-D1490 PolarHBondContact O-N 2.71Å
1482	D	67.3	Low	50.3	Low	52 Å²	52	116.7 Å²	116.7	28%	0.278	56%	0.561	S	S	.	*			trans	-171	87.5	-160.1	-112.4	-92.3	0	0	0	96.9	G1487 P1489 D1490	D1482-G1487 VanDerWaalsContact OD1-CA 3.31Å; D1482-G1487 WeakPolarHBondContact OD1-CA 3.3Å; D1482-P1489 WeakPolarHBondContact OD2-CB 3.45Å; D1482-D1490 PolarHBondContact N-OD1 2.86Å
1483	S	68.4	Low	51.8	Low	52 Å²	52	113.8 Å²	113.8	36%	0.364	54%	0.541	S	S	.	.	S	Bend	trans	-91.8	-38	-161.8	-52.6	0	0	0	0	112.4	I1481 F1485 D1490 D1496	I1481-S1483 VanDerWaalsContact CG2-OG 3.3Å; I1481-S1483 WeakPolarHBondContact CG2-OG 3.48Å; S1483-F1485 WeakPolarHBondContact O-CD2 3.03Å; S1483-D1490 PolarHBondContact OG-OD1 3.21Å; S1483-D1496 CarbonylContact C-O 3.33Å; S1483-D1496 WeakPolarHBondContact CB-O 3.32Å
1484	D	61.9	Low	53.6	Low	38 Å²	38	104.1 Å²	104.1	20%	0.203	52%	0.516	C	S	.	.	S	Bend	trans	-76.3	-29.3	167.4	74	-33.4	0	0	0	114.7	D1486 D1496 N1498	D1484-D1486 PolarHBondContact OD1-N 3.41Å; D1484-D1486 WeakPolarHBondContact OD2-CB 3.36Å; D1484-D1486 PolarHBondContact OD2-N 3.29Å; D1484-D1496 PolarHBondContact N-O 3.49Å; D1484-N1498 HydrophobicContact CB-CB 3.45Å; D1484-N1498 VanDerWaalsContact CB-CB 3.45Å; D1484-N1498 PolarHBondContact OD2-ND2 3.07Å
1485	F	54.7	Low	55.8	Low	141 Å²	141	95.1 Å²	95.1	62%	0.618	48%	0.482	S	S	*	.			trans	74.6	23.2	-173.9	-58.5	-102	0	0	0	118.1	S1483 G1487	S1483-F1485 WeakPolarHBondContact O-CD2 3.03Å; F1485-G1487 PolarHBondContact O-N 2.7Å
1486	D	76.1	Confident	58.1	Low	99 Å²	99	88.8 Å²	88.8	53%	0.529	46%	0.457	S	S	.	.	S	Bend	trans	-64	-29.9	171.7	102.6	-51.7	0	0	0	112.6	D1484 V1488	D1484-D1486 PolarHBondContact OD1-N 3.41Å; D1484-D1486 WeakPolarHBondContact OD2-CB 3.36Å; D1484-D1486 PolarHBondContact OD2-N 3.29Å; D1486-V1488 WeakPolarHBondContact OD1-CA 3.04Å; D1486-V1488 WeakPolarHBondContact OD1-CB 3.22Å; D1486-V1488 WeakPolarHBondContact OD1-CG2 3.37Å; D1486-V1488 PolarHBondContact OD1-N 2.84Å
1487	G	67.1	Low	60.2	Low	53 Å²	53	84 Å²	84	55%	0.546	44%	0.44	S	S	.	.	S	Bend	trans	111.8	-1	-179.6	0	0	0	0	0	115.5	D1482 F1485	D1482-G1487 VanDerWaalsContact OD1-CA 3.31Å; D1482-G1487 WeakPolarHBondContact OD1-CA 3.3Å; F1485-G1487 PolarHBondContact O-N 2.7Å
1488	V	68.2	Low	61.9	Low	44 Å²	44	79.4 Å²	79.4	27%	0.267	42%	0.424	S	S	.	.			trans	-79.9	127.3	154.9	-174.6	0	0	0	0	107.1	D1486 V1492 D1493	D1486-V1488 WeakPolarHBondContact OD1-CA 3.04Å; D1486-V1488 WeakPolarHBondContact OD1-CB 3.22Å; D1486-V1488 WeakPolarHBondContact OD1-CG2 3.37Å; D1486-V1488 PolarHBondContact OD1-N 2.84Å; V1488-V1492 HydrophobicContact CG1-CB 3.81Å; V1488-V1492 HydrophobicContact CG1-CG1 4.08Å; V1488-D1493 WeakPolarHBondContact CB-OD2 3.43Å; V1488-D1493 HydrophobicContact CG1-CB 3.9Å; V1488-D1493 WeakPolarHBondContact CG1-OD2 3.11Å
1489	P	65.6	Low	64.1	Low	26 Å²	26	76.9 Å²	76.9	17%	0.169	41%	0.414	C	S	.	.			trans	-105.9	133.9	-172	18	0.4	0	0	0	111.3	K1480 I1481 D1482 D1491 V1492	K1480-P1489 HydrophobicContact CB-CB 3.75Å; K1480-P1489 HydrophobicContact CD-CB 3.82Å; K1480-P1489 HydrophobicContact CD-CG 3.73Å; K1480-P1489 HydrophobicContact CG-CB 4.38Å; K1480-P1489 VanDerWaalsContact NZ-C 3.28Å; K1480-P1489 VanDerWaalsContact NZ-CB 3.31Å; K1480-P1489 PolarHBondContact NZ-O 2.69Å; I1481-P1489 WeakPolarHBondContact O-CA 3.36Å; I1481-P1489 WeakPolarHBondContact O-CB 3.46Å; D1482-P1489 WeakPolarHBondContact OD2-CB 3.45Å; P1489-D1491 VanDerWaalsContact C-N 3.35Å; P1489-D1491 CarbonylContact O-C 2.97Å; P1489-D1491 PolarHBondContact O-N 2.9Å; P1489-V1492 PolarHBondContact O-N 2.8Å; P1489-V1492 VanDerWaalsContact O-N 3.1Å
1490	D	69.1	Low	65.6	Low	35 Å²	35	68.8 Å²	68.8	19%	0.187	40%	0.402	C	S	.	.	S	Bend	trans	-13	-63.8	-166.9	-9	-74.5	0	0	0	117.1	I1481 D1482 S1483 V1492 D1493 D1496	I1481-D1490 WeakPolarHBondContact CA-OD1 3.2Å; I1481-D1490 WeakPolarHBondContact CA-OD2 3.22Å; I1481-D1490 WeakPolarHBondContact CB-OD1 3.48Å; I1481-D1490 WeakPolarHBondContact CB-OD2 3.18Å; I1481-D1490 WeakPolarHBondContact CG2-OD1 3.42Å; I1481-D1490 PolarHBondContact N-OD2 2.93Å; I1481-D1490 PolarHBondContact O-N 2.71Å; D1482-D1490 PolarHBondContact N-OD1 2.86Å; S1483-D1490 PolarHBondContact OG-OD1 3.21Å; D1490-V1492 PolarHBondContact O-N 2.86Å; D1490-D1493 PolarHBondContact O-N 3.3Å; D1490-D1496 WeakPolarHBondContact CA-OD1 3.31Å; D1490-D1496 VanDerWaalsContact CB-OD1 3.26Å; D1490-D1496 WeakPolarHBondContact CB-OD1 3.22Å
1491	D	62.8	Low	66.3	Low	125 Å²	125	68.8 Å²	68.8	67%	0.668	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	25.5	178.6	67.2	-93.8	0	0	0	116.4	K1480 P1489	K1480-D1491 VanDerWaalsContact CE-CG 3.41Å; K1480-D1491 WeakPolarHBondContact CE-OD1 3.4Å; K1480-D1491 WeakPolarHBondContact CE-OD2 3.12Å; K1480-D1491 IonicContact NZ-OD1 3.5Å; K1480-D1491 PolarHBondContact NZ-OD1 3.32Å; K1480-D1491 IonicContact NZ-OD2 2.61Å; K1480-D1491 PolarHBondContact NZ-OD2 3.01Å; P1489-D1491 VanDerWaalsContact C-N 3.35Å; P1489-D1491 CarbonylContact O-C 2.97Å; P1489-D1491 PolarHBondContact O-N 2.9Å
1492	V	69.8	Low	67.2	Low	100 Å²	100	66 Å²	66	61%	0.606	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.8	-18.1	174.4	-163.6	0	0	0	0	113.5	V1488 P1489 D1490	V1488-V1492 HydrophobicContact CG1-CB 3.81Å; V1488-V1492 HydrophobicContact CG1-CG1 4.08Å; P1489-V1492 PolarHBondContact O-N 2.8Å; P1489-V1492 VanDerWaalsContact O-N 3.1Å; D1490-V1492 PolarHBondContact O-N 2.86Å
1493	D	62.5	Low	67	Low	64 Å²	64	66.5 Å²	66.5	34%	0.342	40%	0.396	S	S	.	.			trans	-86.4	-173.2	177.3	-135.2	-63.9	0	0	0	112	V1488 D1490	V1488-D1493 WeakPolarHBondContact CB-OD2 3.43Å; V1488-D1493 HydrophobicContact CG1-CB 3.9Å; V1488-D1493 WeakPolarHBondContact CG1-OD2 3.11Å; D1490-D1493 PolarHBondContact O-N 3.3Å
1494	G	67	Low	66.3	Low	35 Å²	35	69 Å²	69	36%	0.361	41%	0.405	S	S	.	.	S	Bend	trans	-131.5	-4.5	169.6	0	0	0	0	0	114.7	P1502 D1503	G1494-P1502 CarbonylContact O-C 3.54Å; G1494-P1502 WeakPolarHBondContact O-CA 3.39Å; G1494-P1502 VanDerWaalsContact O-CB 3.3Å; G1494-P1502 WeakPolarHBondContact O-CB 3.35Å; G1494-D1503 PolarHBondContact O-N 3.42Å
1495	D	74.9	Confident	65.7	Low	23 Å²	23	69 Å²	69	12%	0.123	40%	0.404	C	S	.	.	S	Bend	trans	-139.1	92.3	173.5	177.4	-9.2	0	0	0	106.4	D1497 N1498 D1499 G1500	D1495-D1497 PolarHBondContact O-N 2.93Å; D1495-N1498 VanDerWaalsContact CG-CA 3.5Å; D1495-N1498 WeakPolarHBondContact OD1-CA 3.08Å; D1495-N1498 PolarHBondContact OD1-N 3.1Å; D1495-D1499 PolarHBondContact OD1-N 3.31Å; D1495-G1500 WeakPolarHBondContact OD2-CA 3.35Å; D1495-G1500 PolarHBondContact OD2-N 3.42Å; D1495-G1500 VanDerWaalsContact OD2-N 3.08Å
1496	D	77.7	Confident	65.6	Low	49 Å²	49	65.5 Å²	65.5	26%	0.262	39%	0.39	S	S	.	.	S	Bend	trans	-65.1	-33.5	-167.3	-93.7	-7.8	0	0	0	113.2	S1483 D1484 D1490 D1503	S1483-D1496 CarbonylContact C-O 3.33Å; S1483-D1496 WeakPolarHBondContact CB-O 3.32Å; D1484-D1496 PolarHBondContact N-O 3.49Å; D1490-D1496 WeakPolarHBondContact CA-OD1 3.31Å; D1490-D1496 VanDerWaalsContact CB-OD1 3.26Å; D1490-D1496 WeakPolarHBondContact CB-OD1 3.22Å; D1496-D1503 WeakPolarHBondContact CB-OD1 3.05Å; D1496-D1503 VanDerWaalsContact CG-OD1 3.29Å; D1496-D1503 PolarHBondContact N-OD1 2.93Å
1497	D	76.3	Confident	64.5	Low	71 Å²	71	61.6 Å²	61.6	38%	0.38	37%	0.369	S	S	.	.	S	Bend	trans	-111.9	2.6	178.2	73.1	-11.6	0	0	0	116.5	D1495	D1495-D1497 PolarHBondContact O-N 2.93Å
1498	N	65.8	Low	63.9	Low	102 Å²	102	64.7 Å²	64.7	55%	0.545	37%	0.369	S	S	.	.			trans	62.8	41	165.5	-142.1	-40	0	0	0	112.2	D1484 D1495	D1484-N1498 HydrophobicContact CB-CB 3.45Å; D1484-N1498 VanDerWaalsContact CB-CB 3.45Å; D1484-N1498 PolarHBondContact OD2-ND2 3.07Å; D1495-N1498 VanDerWaalsContact CG-CA 3.5Å; D1495-N1498 WeakPolarHBondContact OD1-CA 3.08Å; D1495-N1498 PolarHBondContact OD1-N 3.1Å
1499	D	73.1	Confident	63.2	Low	85 Å²	85	67.7 Å²	67.7	46%	0.455	38%	0.383	S	S	.	.	S	Bend	trans	-91.5	-4.2	176	85.8	-5.8	0	0	0	113.3	D1495 I1501	D1495-D1499 PolarHBondContact OD1-N 3.31Å; D1499-I1501 VanDerWaalsContact OD1-CB 3.27Å; D1499-I1501 WeakPolarHBondContact OD1-CB 3.28Å; D1499-I1501 WeakPolarHBondContact OD1-CG1 3.44Å; D1499-I1501 PolarHBondContact OD1-N 2.81Å
1500	G	63.9	Low	62.8	Low	60 Å²	60	72.2 Å²	72.2	62%	0.619	40%	0.4	S	S	*	.	S	Bend	trans	102.6	-11	-178.2	0	0	0	0	0	113.4	D1495 P1502	D1495-G1500 WeakPolarHBondContact OD2-CA 3.35Å; D1495-G1500 PolarHBondContact OD2-N 3.42Å; D1495-G1500 VanDerWaalsContact OD2-N 3.08Å; G1500-P1502 WeakPolarHBondContact O-CD 3.26Å
1501	I	56.1	Low	62.3	Low	81 Å²	81	75.4 Å²	75.4	42%	0.415	42%	0.417	S	S	.	.	S	Bend	trans	-105	109.1	-177.4	-55.3	178.1	0	0	0	109.9	D1499 M1505	D1499-I1501 VanDerWaalsContact OD1-CB 3.27Å; D1499-I1501 WeakPolarHBondContact OD1-CB 3.28Å; D1499-I1501 WeakPolarHBondContact OD1-CG1 3.44Å; D1499-I1501 PolarHBondContact OD1-N 2.81Å; I1501-M1505 HydrophobicContact CG2-CB 3.64Å
1502	P	62.9	Low	61.8	Low	51 Å²	51	78.6 Å²	78.6	33%	0.331	43%	0.428	S	S	.	.			trans	-55.4	146.5	178.3	-28.4	35.8	0	0	0	114	G1494 G1500 I1504 M1505	G1494-P1502 CarbonylContact O-C 3.54Å; G1494-P1502 WeakPolarHBondContact O-CA 3.39Å; G1494-P1502 VanDerWaalsContact O-CB 3.3Å; G1494-P1502 WeakPolarHBondContact O-CB 3.35Å; G1500-P1502 WeakPolarHBondContact O-CD 3.26Å; P1502-I1504 PolarHBondContact O-N 2.86Å; P1502-M1505 PolarHBondContact O-N 2.71Å
1503	D	62.5	Low	60.5	Low	62 Å²	62	78 Å²	78	33%	0.332	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.7	-19.3	-177.6	-64.5	-34	0	0	0	116.4	G1494 D1496	G1494-D1503 PolarHBondContact O-N 3.42Å; D1496-D1503 WeakPolarHBondContact CB-OD1 3.05Å; D1496-D1503 VanDerWaalsContact CG-OD1 3.29Å; D1496-D1503 PolarHBondContact N-OD1 2.93Å
1504	I	53.6	Low	59.8	Low	106 Å²	106	76.6 Å²	76.6	54%	0.544	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-12.6	-176.9	78.7	173.2	0	0	0	112.7	P1502 L1554	P1502-I1504 PolarHBondContact O-N 2.86Å; I1504-L1554 HydrophobicContact CD1-CD1 4.34Å; I1504-L1554 HydrophobicContact CD1-CD2 3.8Å
1505	M	50.7	Low	58.7	Low	36 Å²	36	79.2 Å²	79.2	18%	0.177	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-25.4	-177.5	-59.8	-152.9	-80.3	0	0	113.2	I1501 P1502 P1514 L1554	I1501-M1505 HydrophobicContact CG2-CB 3.64Å; P1502-M1505 PolarHBondContact O-N 2.71Å; M1505-P1514 WeakPolarHBondContact O-CA 3.27Å; M1505-P1514 VanDerWaalsContact O-CB 3.28Å; M1505-P1514 WeakPolarHBondContact O-CB 3.34Å; M1505-P1514 WeakPolarHBondContact O-CG 3.36Å; M1505-L1554 HydrophobicContact CE-CB 4.36Å; M1505-L1554 HydrophobicContact CG-CD1 4.25Å; M1505-L1554 HydrophobicContact SD-CB 4.06Å; M1505-L1554 HydrophobicContact SD-CD1 3.72Å; M1505-L1554 HydrophobicContact SD-CG 4.36Å
1506	E	51.4	Low	57.4	Low	69 Å²	69	80.1 Å²	80.1	32%	0.322	42%	0.424	S	S	.	.			trans	-49.3	148.8	168	-114.3	-117.4	116.6	0	0	112.9	K1510	E1506-K1510 WeakPolarHBondContact OE1-CE 3.22Å; E1506-K1510 IonicContact OE1-NZ 3.89Å; E1506-K1510 PolarHBondContact OE1-NZ 3.46Å
1507	D	53.2	Low	55.7	Low	17 Å²	17	80.7 Å²	80.7	9%	0.091	43%	0.426	C	S	.	.			trans	-111.3	145.5	179.7	62.1	12.2	0	0	0	112.6	D1509 K1510 D1511 Q1512 I1513	D1507-D1509 PolarHBondContact O-N 3.18Å; D1507-D1509 VanDerWaalsContact O-N 3.07Å; D1507-K1510 WeakPolarHBondContact OD1-CA 3.26Å; D1507-K1510 PolarHBondContact OD1-N 3.38Å; D1507-D1511 PolarHBondContact OD2-N 2.76Å; D1507-Q1512 PolarHBondContact OD2-N 3.08Å; D1507-I1513 PolarHBondContact OD2-N 3.08Å
1508	E	53.9	Low	54	Low	117 Å²	117	79.5 Å²	79.5	55%	0.547	43%	0.431	S	S	.	.	S	Bend	trans	-72	3	176.4	-88.2	-160.2	-174.3	0	0	112.9	L840 D1515	L840-E1508 HydrophobicContact CD1-CB 4.25Å; L840-E1508 WeakPolarHBondContact CD1-O 3.29Å; E1508-D1515 PolarHBondContact N-OD1 3.12Å
1509	D	53.6	Low	52.9	Low	107 Å²	107	77.2 Å²	77.2	57%	0.572	42%	0.419	S	S	*	.	S	Bend	trans	-116.4	-28.3	-171.3	-78	91.8	0	0	0	114.7	D1507	D1507-D1509 PolarHBondContact O-N 3.18Å; D1507-D1509 VanDerWaalsContact O-N 3.07Å
1510	K	58.4	Low	51.2	Low	121 Å²	121	76.7 Å²	76.7	53%	0.526	42%	0.419	S	S	.	.			trans	52	58.6	-162.7	-65.6	-161.9	-177.9	-78	0	113	E1506 D1507	E1506-K1510 WeakPolarHBondContact OE1-CE 3.22Å; E1506-K1510 IonicContact OE1-NZ 3.89Å; E1506-K1510 PolarHBondContact OE1-NZ 3.46Å; D1507-K1510 WeakPolarHBondContact OD1-CA 3.26Å; D1507-K1510 PolarHBondContact OD1-N 3.38Å
1511	D	57.7	Low	50.1	Low	102 Å²	102	84.3 Å²	84.3	55%	0.545	43%	0.429	S	S	.	.	S	Bend	trans	-119.3	14.1	169.4	84.6	-5.4	0	0	0	115.5	D1507 I1513	D1507-D1511 PolarHBondContact OD2-N 2.76Å; D1511-I1513 VanDerWaalsContact C-N 3.35Å
1512	Q	53.2	Low	49.5	Very low	192 Å²	192	84.4 Å²	84.4	90%	0.897	43%	0.433	S	S	*	.	S	Bend	trans	66.1	31.1	174.2	-60.1	176.4	-72.3	0	0	113.2	D1507	D1507-Q1512 PolarHBondContact OD2-N 3.08Å
1513	I	43.1	Very low	48.5	Very low	89 Å²	89	83.5 Å²	83.5	46%	0.456	43%	0.426	S	S	.	.	S	Bend	trans	-134.3	106.3	176.4	-58.1	179.7	0	0	0	109.1	D1507 D1511 D1515 L1517	D1507-I1513 PolarHBondContact OD2-N 3.08Å; D1511-I1513 VanDerWaalsContact C-N 3.35Å; I1513-D1515 PolarHBondContact O-N 3.42Å; I1513-L1517 HydrophobicContact CG2-CB 3.96Å; I1513-L1517 HydrophobicContact CG2-CD1 4.27Å
1514	P	46.2	Very low	47.5	Very low	33 Å²	33	87.1 Å²	87.1	21%	0.214	44%	0.439	C	S	.	.			trans	-47.9	138.4	-173.8	-32.7	35.3	0	0	0	115	M1505 F1516 L1517	M1505-P1514 WeakPolarHBondContact O-CA 3.27Å; M1505-P1514 VanDerWaalsContact O-CB 3.28Å; M1505-P1514 WeakPolarHBondContact O-CB 3.34Å; M1505-P1514 WeakPolarHBondContact O-CG 3.36Å; P1514-F1516 HydrophobicContact CB-CD1 3.71Å; P1514-F1516 HydrophobicContact CB-CE1 3.29Å; P1514-F1516 HydrophobicContact CB-CE2 4.2Å; P1514-F1516 HydrophobicContact CB-CG 4.34Å; P1514-F1516 HydrophobicContact CB-CZ 3.57Å; P1514-F1516 HydrophobicContact CG-CE1 4.19Å; P1514-F1516 HydrophobicContact CG-CZ 4.15Å; P1514-F1516 PolarHBondContact O-N 3.08Å; P1514-L1517 PolarHBondContact O-N 2.66Å
1515	D	45.2	Very low	47	Very low	91 Å²	91	89 Å²	89	49%	0.487	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-23.4	-168.8	-154.9	70	0	0	0	113.7	E1508 I1513	E1508-D1515 PolarHBondContact N-OD1 3.12Å; I1513-D1515 PolarHBondContact O-N 3.42Å
1516	F	46.1	Very low	46.7	Very low	42 Å²	42	93.4 Å²	93.4	18%	0.184	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-21.8	178.1	61.3	-105.2	0	0	0	115.5	P1514 R1540 W1542	P1514-F1516 HydrophobicContact CB-CD1 3.71Å; P1514-F1516 HydrophobicContact CB-CE1 3.29Å; P1514-F1516 HydrophobicContact CB-CE2 4.2Å; P1514-F1516 HydrophobicContact CB-CG 4.34Å; P1514-F1516 HydrophobicContact CB-CZ 3.57Å; P1514-F1516 HydrophobicContact CG-CE1 4.19Å; P1514-F1516 HydrophobicContact CG-CZ 4.15Å; P1514-F1516 PolarHBondContact O-N 3.08Å; F1516-R1540 PolarHBondContact O-NH1 2.9Å; F1516-W1542 HydrophobicContact CB-CH2 4.26Å; F1516-W1542 HydrophobicContact CB-CZ3 4.05Å; F1516-W1542 AromaticContact CD1-CH2 3.49Å; F1516-W1542 HydrophobicContact CD1-CH2 3.49Å; F1516-W1542 VanDerWaalsContact CD1-CH2 3.49Å; F1516-W1542 HydrophobicContact CD1-CZ2 4.34Å; F1516-W1542 AromaticContact CD1-CZ3 3.94Å; F1516-W1542 HydrophobicContact CD1-CZ3 3.94Å; F1516-W1542 AromaticContact CD2-CE3 3.82Å; F1516-W1542 HydrophobicContact CD2-CE3 3.82Å; F1516-W1542 AromaticContact CD2-CH2 3.61Å; F1516-W1542 HydrophobicContact CD2-CH2 3.61Å; F1516-W1542 AromaticContact CD2-CZ3 3.15Å; F1516-W1542 HydrophobicContact CD2-CZ3 3.15Å; F1516-W1542 AromaticContact CE1-CH2 3.5Å; F1516-W1542 HydrophobicContact CE1-CH2 3.5Å; F1516-W1542 AromaticContact CE1-CZ2 3.92Å; F1516-W1542 HydrophobicContact CE1-CZ2 3.92Å; F1516-W1542 HydrophobicContact CE1-CZ3 4.11Å; F1516-W1542 HydrophobicContact CE2-CD2 4.26Å; F1516-W1542 AromaticContact CE2-CE3 3.71Å; F1516-W1542 HydrophobicContact CE2-CE3 3.71Å; F1516-W1542 AromaticContact CE2-CH2 3.63Å; F1516-W1542 HydrophobicContact CE2-CH2 3.63Å; F1516-W1542 HydrophobicContact CE2-CZ2 4.19Å; F1516-W1542 AromaticContact CE2-CZ3 3.37Å; F1516-W1542 HydrophobicContact CE2-CZ3 3.37Å; F1516-W1542 AromaticContact CG-CH2 3.53Å; F1516-W1542 HydrophobicContact CG-CH2 3.53Å; F1516-W1542 AromaticContact CG-CZ3 3.46Å; F1516-W1542 HydrophobicContact CG-CZ3 3.46Å; F1516-W1542 VanDerWaalsContact CG-CZ3 3.46Å; F1516-W1542 HydrophobicContact CZ-CE3 4.32Å; F1516-W1542 AromaticContact CZ-CH2 3.57Å; F1516-W1542 HydrophobicContact CZ-CH2 3.57Å; F1516-W1542 AromaticContact CZ-CZ2 3.83Å; F1516-W1542 HydrophobicContact CZ-CZ2 3.83Å; F1516-W1542 AromaticContact CZ-CZ3 3.85Å; F1516-W1542 HydrophobicContact CZ-CZ3 3.85Å
1517	L	42.2	Very low	45.8	Very low	60 Å²	60	92.7 Å²	92.7	31%	0.314	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-29.6	171.7	-63.6	-178.5	0	0	0	111.6	I1513 P1514 L1519 M1537	I1513-L1517 HydrophobicContact CG2-CB 3.96Å; I1513-L1517 HydrophobicContact CG2-CD1 4.27Å; P1514-L1517 PolarHBondContact O-N 2.66Å; L1517-L1519 PolarHBondContact O-N 3.32Å; L1517-M1537 HydrophobicContact CD2-CE 3.92Å; L1517-M1537 HydrophobicContact CD2-SD 4.45Å
1518	G	40.4	Very low	45.6	Very low	47 Å²	47	93.9 Å²	93.9	49%	0.485	49%	0.486	S	S	.	.			trans	-32.5	88	-177.1	0	0	0	0	0	116.6	T1520	G1518-T1520 PolarHBondContact O-N 3.42Å
1519	L	42.7	Very low	45.1	Very low	54 Å²	54	91.5 Å²	91.5	28%	0.283	48%	0.482	S	S	.	.			trans	-74.4	97.3	171.5	-81.2	-174.3	0	0	0	109.4	L1517 R1521 D1523 L1533	L1517-L1519 PolarHBondContact O-N 3.32Å; L1519-R1521 PolarHBondContact O-N 2.81Å; L1519-D1523 HydrophobicContact CD2-CB 4.29Å; L1519-L1533 HydrophobicContact CD1-CD1 3.7Å; L1519-L1533 HydrophobicContact CD1-CG 4.19Å; L1519-L1533 HydrophobicContact CG-CD1 4.43Å
1520	T	39.3	Very low	44.7	Very low	73 Å²	73	89.7 Å²	89.7	45%	0.448	48%	0.475	S	S	.	.			trans	-45.7	146.5	179.5	85.9	0	0	0	0	111.7	G1518 T1522 D1523 F1524	G1518-T1520 PolarHBondContact O-N 3.42Å; T1520-T1522 PolarHBondContact O-N 2.78Å; T1520-T1522 PolarHBondContact OG1-N 2.75Å; T1520-T1522 PolarHBondContact OG1-OG1 2.85Å; T1520-D1523 PolarHBondContact O-N 3.5Å; T1520-D1523 PolarHBondContact OG1-OD2 3.29Å; T1520-F1524 PolarHBondContact O-N 3.2Å
1521	R	39.8	Very low	44.5	Very low	220 Å²	220	89.3 Å²	89.3	83%	0.83	47%	0.474	S	S	*	.	H	α-helix	trans	-52.2	-14.4	173.9	-169.4	172	-179.4	165.8	4.9	114.2	L1519 L1525	L1519-R1521 PolarHBondContact O-N 2.81Å; R1521-L1525 WeakPolarHBondContact O-CD1 3.46Å; R1521-L1525 WeakPolarHBondContact O-CG 3.31Å
1522	T	42.7	Very low	44.5	Very low	84 Å²	84	87.9 Å²	87.9	52%	0.515	46%	0.463	S	S	.	.	H	α-helix	trans	-86.4	-20.9	172.7	82.7	0	0	0	0	114.3	T1520 K1526	T1520-T1522 PolarHBondContact O-N 2.78Å; T1520-T1522 PolarHBondContact OG1-N 2.75Å; T1520-T1522 PolarHBondContact OG1-OG1 2.85Å; T1522-K1526 WeakPolarHBondContact O-CE 3.45Å; T1522-K1526 WeakPolarHBondContact O-CG 3.44Å; T1522-K1526 PolarHBondContact O-NZ 2.79Å; T1522-K1526 PolarHBondContact OG1-NZ 2.95Å; T1522-K1526 VanDerWaalsContact OG1-NZ 3.12Å
1523	D	43.2	Very low	44.6	Very low	32 Å²	32	80.9 Å²	80.9	17%	0.171	43%	0.432	C	S	.	.	H	α-helix	trans	-89.7	-35.7	178.9	-66.3	-66.4	0	0	0	111.7	L1519 T1520 L1525 K1526 G1527 V1528	L1519-D1523 HydrophobicContact CD2-CB 4.29Å; T1520-D1523 PolarHBondContact O-N 3.5Å; T1520-D1523 PolarHBondContact OG1-OD2 3.29Å; D1523-L1525 PolarHBondContact O-N 3.09Å; D1523-K1526 VanDerWaalsContact CG-NZ 3.28Å; D1523-K1526 WeakPolarHBondContact O-CA 3.48Å; D1523-K1526 WeakPolarHBondContact O-CB 3.07Å; D1523-K1526 PolarHBondContact O-N 2.63Å; D1523-K1526 IonicContact OD1-NZ 3.56Å; D1523-K1526 PolarHBondContact OD1-NZ 3.16Å; D1523-K1526 IonicContact OD2-NZ 3.29Å; D1523-G1527 PolarHBondContact O-N 3.44Å; D1523-V1528 HydrophobicContact CB-CG2 4.17Å
1524	F	40.1	Very low	44.8	Very low	137 Å²	137	81 Å²	81	60%	0.601	43%	0.434	S	S	*	.	H	α-helix	trans	-49.8	-43.7	161.5	-154.3	-90.6	0	0	0	111.3	T1520 K1526 N1825	T1520-F1524 PolarHBondContact O-N 3.2Å; F1524-K1526 PolarHBondContact O-N 3.38Å; F1524-N1825 WeakPolarHBondContact CZ-OD1 3.3Å
1525	L	44.2	Very low	45.4	Very low	145 Å²	145	86.6 Å²	86.6	76%	0.759	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	4.3	174.5	-73.7	172.9	0	0	0	115.5	R1521 D1523	R1521-L1525 WeakPolarHBondContact O-CD1 3.46Å; R1521-L1525 WeakPolarHBondContact O-CG 3.31Å; D1523-L1525 PolarHBondContact O-N 3.09Å
1526	K	43.7	Very low	46	Very low	130 Å²	130	86.7 Å²	86.7	57%	0.565	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-17.6	176.1	-67.4	178.3	-154.1	87.8	0	113.9	T1522 D1523 F1524	T1522-K1526 WeakPolarHBondContact O-CE 3.45Å; T1522-K1526 WeakPolarHBondContact O-CG 3.44Å; T1522-K1526 PolarHBondContact O-NZ 2.79Å; T1522-K1526 PolarHBondContact OG1-NZ 2.95Å; T1522-K1526 VanDerWaalsContact OG1-NZ 3.12Å; D1523-K1526 VanDerWaalsContact CG-NZ 3.28Å; D1523-K1526 WeakPolarHBondContact O-CA 3.48Å; D1523-K1526 WeakPolarHBondContact O-CB 3.07Å; D1523-K1526 PolarHBondContact O-N 2.63Å; D1523-K1526 IonicContact OD1-NZ 3.56Å; D1523-K1526 PolarHBondContact OD1-NZ 3.16Å; D1523-K1526 IonicContact OD2-NZ 3.29Å; F1524-K1526 PolarHBondContact O-N 3.38Å
1527	G	33.7	Very low	46	Very low	53 Å²	53	86.9 Å²	86.9	55%	0.546	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	64.6	-171.5	0	0	0	0	0	111.7	D1523	D1523-G1527 PolarHBondContact O-N 3.44Å
1528	V	47.3	Very low	46.1	Very low	42 Å²	42	88.8 Å²	88.8	26%	0.255	46%	0.456	S	S	.	.			trans	-75.5	125.6	163.8	-177.5	0	0	0	0	106.8	D1523 E1532	D1523-V1528 HydrophobicContact CB-CG2 4.17Å; V1528-E1532 HydrophobicContact CG1-CB 3.96Å; V1528-E1532 HydrophobicContact CG1-CG 4.01Å
1529	S	43.9	Very low	46.8	Very low	67 Å²	67	93.2 Å²	93.2	47%	0.469	46%	0.462	S	S	.	.			trans	-81.6	156.4	177.8	52	0	0	0	0	111.9	K1531 E1532 L1533	S1529-K1531 VanDerWaalsContact C-N 3.26Å; S1529-K1531 PolarHBondContact O-N 3.2Å; S1529-E1532 WeakPolarHBondContact O-CA 3.37Å; S1529-E1532 PolarHBondContact O-N 3.24Å; S1529-L1533 PolarHBondContact O-N 3.1Å; S1529-L1533 VanDerWaalsContact O-N 3.12Å
1530	T	46.3	Very low	47	Very low	69 Å²	69	98 Å²	98	42%	0.423	48%	0.477	S	S	.	.	H	α-helix	trans	-38.4	-53.5	161.7	50.7	0	0	0	0	111.9	E1532 L1533 N1534	T1530-E1532 PolarHBondContact O-N 2.81Å; T1530-L1533 CarbonylContact O-C 3.54Å; T1530-L1533 WeakPolarHBondContact O-CA 3.36Å; T1530-L1533 WeakPolarHBondContact O-CB 3.4Å; T1530-L1533 PolarHBondContact O-N 3.39Å; T1530-N1534 VanDerWaalsContact C-OD1 3.27Å; T1530-N1534 PolarHBondContact O-N 3.01Å; T1530-N1534 PolarHBondContact O-OD1 3.17Å
1531	K	54	Low	47.4	Very low	114 Å²	114	96.7 Å²	96.7	50%	0.496	48%	0.477	S	S	.	.	H	α-helix	trans	-60.9	5.5	174	-86.6	177.8	167.6	82.2	0	117.5	S1529 D1830	S1529-K1531 VanDerWaalsContact C-N 3.26Å; S1529-K1531 PolarHBondContact O-N 3.2Å; K1531-D1830 WeakPolarHBondContact CE-OD2 3.1Å; K1531-D1830 IonicContact NZ-OD2 2.81Å; K1531-D1830 PolarHBondContact NZ-OD2 3.2Å
1532	E	58	Low	47.8	Very low	71 Å²	71	88 Å²	88	33%	0.332	45%	0.445	S	S	.	.	H	α-helix	trans	-123.6	-13.1	164	-176.8	63.7	-162.8	0	0	112.8	V1528 S1529 T1530 R1535 R1536	V1528-E1532 HydrophobicContact CG1-CB 3.96Å; V1528-E1532 HydrophobicContact CG1-CG 4.01Å; S1529-E1532 WeakPolarHBondContact O-CA 3.37Å; S1529-E1532 PolarHBondContact O-N 3.24Å; T1530-E1532 PolarHBondContact O-N 2.81Å; E1532-R1535 VanDerWaalsContact OE2-CD 3.32Å; E1532-R1535 WeakPolarHBondContact OE2-CD 3.37Å; E1532-R1536 WeakPolarHBondContact O-CG 3.5Å
1533	L	55.7	Low	48.2	Very low	45 Å²	45	88.8 Å²	88.8	24%	0.236	44%	0.441	C	S	.	.	H	α-helix	trans	-77.3	-60	166.2	-122.3	174.1	0	0	0	110.9	L1519 S1529 T1530 R1535 R1536 M1537	L1519-L1533 HydrophobicContact CD1-CD1 3.7Å; L1519-L1533 HydrophobicContact CD1-CG 4.19Å; L1519-L1533 HydrophobicContact CG-CD1 4.43Å; S1529-L1533 PolarHBondContact O-N 3.1Å; S1529-L1533 VanDerWaalsContact O-N 3.12Å; T1530-L1533 CarbonylContact O-C 3.54Å; T1530-L1533 WeakPolarHBondContact O-CA 3.36Å; T1530-L1533 WeakPolarHBondContact O-CB 3.4Å; T1530-L1533 PolarHBondContact O-N 3.39Å; L1533-R1535 PolarHBondContact O-N 3.4Å; L1533-R1536 WeakPolarHBondContact O-CA 3.31Å; L1533-R1536 VanDerWaalsContact O-CB 3.29Å; L1533-R1536 WeakPolarHBondContact O-CB 3.48Å; L1533-R1536 PolarHBondContact O-N 3.05Å; L1533-M1537 VanDerWaalsContact C-SD 3.5Å; L1533-M1537 HydrophobicContact CD2-CE 4.29Å; L1533-M1537 HydrophobicContact CD2-SD 4.02Å; L1533-M1537 PolarHBondContact O-N 3.05Å
1534	N	45.9	Very low	48.8	Very low	92 Å²	92	90 Å²	90	49%	0.492	45%	0.448	S	S	.	.	H	α-helix	trans	-55.6	-28.1	171.9	-50.6	57.8	0	0	0	110.2	T1530 R1536 M1537 N1538	T1530-N1534 VanDerWaalsContact C-OD1 3.27Å; T1530-N1534 PolarHBondContact O-N 3.01Å; T1530-N1534 PolarHBondContact O-OD1 3.17Å; N1534-R1536 VanDerWaalsContact C-N 3.26Å; N1534-R1536 PolarHBondContact O-N 2.78Å; N1534-M1537 PolarHBondContact O-N 2.8Å; N1534-N1538 VanDerWaalsContact O-CB 3.23Å; N1534-N1538 WeakPolarHBondContact O-CB 3.44Å; N1534-N1538 PolarHBondContact O-N 2.85Å
1535	R	58.9	Low	49.7	Very low	151 Å²	151	89.6 Å²	89.6	57%	0.57	45%	0.447	S	S	*	.	H	α-helix	trans	-76.5	-0.2	173.3	-145.5	-172	-159.8	136	17.5	115.5	E1532 L1533 K1539	E1532-R1535 VanDerWaalsContact OE2-CD 3.32Å; E1532-R1535 WeakPolarHBondContact OE2-CD 3.37Å; L1533-R1535 PolarHBondContact O-N 3.4Å; R1535-K1539 VanDerWaalsContact O-CG 3.28Å; R1535-K1539 WeakPolarHBondContact O-CG 3.2Å; R1535-K1539 PolarHBondContact O-NZ 3.02Å
1536	R	58.3	Low	50.2	Low	93 Å²	93	85 Å²	85	35%	0.351	42%	0.424	S	S	.	.	H	α-helix	trans	-102.5	-41.1	167.2	-69.9	166.3	-174.6	-164.3	3.7	110	E1532 L1533 N1534 K1539 R1540	E1532-R1536 WeakPolarHBondContact O-CG 3.5Å; L1533-R1536 WeakPolarHBondContact O-CA 3.31Å; L1533-R1536 VanDerWaalsContact O-CB 3.29Å; L1533-R1536 WeakPolarHBondContact O-CB 3.48Å; L1533-R1536 PolarHBondContact O-N 3.05Å; N1534-R1536 VanDerWaalsContact C-N 3.26Å; N1534-R1536 PolarHBondContact O-N 2.78Å; R1536-K1539 PolarHBondContact O-N 2.84Å; R1536-K1539 VanDerWaalsContact O-N 3.15Å; R1536-R1540 PolarHBondContact O-N 2.8Å
1537	M	46.7	Very low	50.6	Low	46 Å²	46	83.1 Å²	83.1	23%	0.227	43%	0.426	C	S	.	.	H	α-helix	trans	-53.4	-62.5	166	-71.7	92.3	148.9	0	0	110.7	L1517 L1533 N1534 K1539 R1540 G1541 W1542	L1517-M1537 HydrophobicContact CD2-CE 3.92Å; L1517-M1537 HydrophobicContact CD2-SD 4.45Å; L1533-M1537 VanDerWaalsContact C-SD 3.5Å; L1533-M1537 HydrophobicContact CD2-CE 4.29Å; L1533-M1537 HydrophobicContact CD2-SD 4.02Å; L1533-M1537 PolarHBondContact O-N 3.05Å; N1534-M1537 PolarHBondContact O-N 2.8Å; M1537-K1539 PolarHBondContact O-N 2.85Å; M1537-R1540 PolarHBondContact O-N 2.75Å; M1537-G1541 PolarHBondContact O-N 3.47Å; M1537-W1542 CarbonylContact C-O 3.55Å; M1537-W1542 WeakPolarHBondContact CB-O 3.09Å
1538	N	44	Very low	52.2	Low	99 Å²	99	84.8 Å²	84.8	53%	0.529	42%	0.422	S	S	.	.	H	α-helix	trans	-58.5	-4.5	173.5	-93.8	-120.3	0	0	0	115.3	N1534	N1534-N1538 VanDerWaalsContact O-CB 3.23Å; N1534-N1538 WeakPolarHBondContact O-CB 3.44Å; N1534-N1538 PolarHBondContact O-N 2.85Å
1539	K	54	Low	52.8	Low	141 Å²	141	85.4 Å²	85.4	61%	0.613	44%	0.437	S	S	*	.	H	α-helix	trans	-104	-12.5	171.8	-88.3	-162	-152.5	87.9	0	113.9	R1535 R1536 M1537	R1535-K1539 VanDerWaalsContact O-CG 3.28Å; R1535-K1539 WeakPolarHBondContact O-CG 3.2Å; R1535-K1539 PolarHBondContact O-NZ 3.02Å; R1536-K1539 PolarHBondContact O-N 2.84Å; R1536-K1539 VanDerWaalsContact O-N 3.15Å; M1537-K1539 PolarHBondContact O-N 2.85Å
1540	R	47.4	Very low	53.5	Low	154 Å²	154	85.3 Å²	85.3	58%	0.581	43%	0.43	S	S	*	.	H	α-helix	trans	-100.4	-39.4	174.8	-79.6	176.8	160.1	151.3	-15.4	111.3	F1516 R1536 M1537 W1542	F1516-R1540 PolarHBondContact O-NH1 2.9Å; R1536-R1540 PolarHBondContact O-N 2.8Å; M1537-R1540 PolarHBondContact O-N 2.75Å; R1540-W1542 HydrophobicContact CB-CE3 4.21Å
1541	G	47.7	Very low	54.1	Low	45 Å²	45	82.5 Å²	82.5	46%	0.464	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	113	10.5	-177.5	0	0	0	0	0	114.2	M1537	M1537-G1541 PolarHBondContact O-N 3.47Å
1542	W	48.3	Very low	54.3	Low	39 Å²	39	78.8 Å²	78.8	15%	0.148	40%	0.399	C	S	.	.			trans	-78.2	120.5	160.3	-74.1	-51.4	0	0	0	108.6	F1516 M1537 R1540 P1551 N1553 L1554	F1516-W1542 HydrophobicContact CB-CH2 4.26Å; F1516-W1542 HydrophobicContact CB-CZ3 4.05Å; F1516-W1542 AromaticContact CD1-CH2 3.49Å; F1516-W1542 HydrophobicContact CD1-CH2 3.49Å; F1516-W1542 VanDerWaalsContact CD1-CH2 3.49Å; F1516-W1542 HydrophobicContact CD1-CZ2 4.34Å; F1516-W1542 AromaticContact CD1-CZ3 3.94Å; F1516-W1542 HydrophobicContact CD1-CZ3 3.94Å; F1516-W1542 AromaticContact CD2-CE3 3.82Å; F1516-W1542 HydrophobicContact CD2-CE3 3.82Å; F1516-W1542 AromaticContact CD2-CH2 3.61Å; F1516-W1542 HydrophobicContact CD2-CH2 3.61Å; F1516-W1542 AromaticContact CD2-CZ3 3.15Å; F1516-W1542 HydrophobicContact CD2-CZ3 3.15Å; F1516-W1542 AromaticContact CE1-CH2 3.5Å; F1516-W1542 HydrophobicContact CE1-CH2 3.5Å; F1516-W1542 AromaticContact CE1-CZ2 3.92Å; F1516-W1542 HydrophobicContact CE1-CZ2 3.92Å; F1516-W1542 HydrophobicContact CE1-CZ3 4.11Å; F1516-W1542 HydrophobicContact CE2-CD2 4.26Å; F1516-W1542 AromaticContact CE2-CE3 3.71Å; F1516-W1542 HydrophobicContact CE2-CE3 3.71Å; F1516-W1542 AromaticContact CE2-CH2 3.63Å; F1516-W1542 HydrophobicContact CE2-CH2 3.63Å; F1516-W1542 HydrophobicContact CE2-CZ2 4.19Å; F1516-W1542 AromaticContact CE2-CZ3 3.37Å; F1516-W1542 HydrophobicContact CE2-CZ3 3.37Å; F1516-W1542 AromaticContact CG-CH2 3.53Å; F1516-W1542 HydrophobicContact CG-CH2 3.53Å; F1516-W1542 AromaticContact CG-CZ3 3.46Å; F1516-W1542 HydrophobicContact CG-CZ3 3.46Å; F1516-W1542 VanDerWaalsContact CG-CZ3 3.46Å; F1516-W1542 HydrophobicContact CZ-CE3 4.32Å; F1516-W1542 AromaticContact CZ-CH2 3.57Å; F1516-W1542 HydrophobicContact CZ-CH2 3.57Å; F1516-W1542 AromaticContact CZ-CZ2 3.83Å; F1516-W1542 HydrophobicContact CZ-CZ2 3.83Å; F1516-W1542 AromaticContact CZ-CZ3 3.85Å; F1516-W1542 HydrophobicContact CZ-CZ3 3.85Å; M1537-W1542 CarbonylContact C-O 3.55Å; M1537-W1542 WeakPolarHBondContact CB-O 3.09Å; R1540-W1542 HydrophobicContact CB-CE3 4.21Å; W1542-P1551 HydrophobicContact CB-CB 3.9Å; W1542-P1551 HydrophobicContact CB-CG 4.34Å; W1542-P1551 HydrophobicContact CD2-CG 4.37Å; W1542-P1551 HydrophobicContact CG-CB 3.88Å; W1542-P1551 HydrophobicContact CG-CG 3.81Å; W1542-N1553 VanDerWaalsContact CD1-ND2 3.28Å; W1542-N1553 PolarHBondContact NE1-OD1 2.77Å; W1542-N1553 VanDerWaalsContact NE1-OD1 3.11Å; W1542-L1554 HydrophobicContact CZ2-CD1 3.86Å
1543	F	50.5	Low	54.2	Low	99 Å²	99	79.3 Å²	79.3	43%	0.434	40%	0.404	S	S	.	.			trans	-99.9	-155.3	150.1	-74.8	-98.3	0	0	0	107	P1551 D1552	F1543-P1551 WeakPolarHBondContact O-CA 3.41Å; F1543-P1551 WeakPolarHBondContact O-CB 3.18Å; F1543-D1552 VanDerWaalsContact C-CB 3.46Å; F1543-D1552 HydrophobicContact CB-CB 3.93Å; F1543-D1552 WeakPolarHBondContact CB-OD1 3.22Å; F1543-D1552 WeakPolarHBondContact CB-OD2 3.3Å
1544	D	55.6	Low	54.3	Low	59 Å²	59	79.5 Å²	79.5	32%	0.316	41%	0.405	S	S	.	.			trans	173.9	107.9	-160.2	-121.4	-69	0	0	0	100.1	D1552	D1544-D1552 PolarHBondContact N-OD1 3.37Å
1545	H	59.5	Low	54.6	Low	128 Å²	128	75.7 Å²	75.7	59%	0.593	39%	0.385	S	S	*	.	S	Bend	trans	-107.3	-42.8	-173.6	-92.6	92	0	0	0	113.1	D1552 D1558	H1545-D1552 IonicContact CE1-OD1 2.84Å; H1545-D1552 IonicContact CE1-OD2 2.64Å; H1545-D1552 IonicContact CG-OD1 3.54Å; H1545-D1552 IonicContact ND1-OD1 3.71Å; H1545-D1552 PolarHBondContact ND1-OD1 3.04Å; H1545-D1552 IonicContact ND1-OD2 2.65Å; H1545-D1558 VanDerWaalsContact CB-O 3.3Å; H1545-D1558 WeakPolarHBondContact CB-O 3.43Å
1546	D	54.7	Low	54.5	Low	48 Å²	48	71.1 Å²	71.1	26%	0.257	38%	0.375	S	S	.	.	S	Bend	trans	-82.8	-30.4	173.8	74.3	-39.4	0	0	0	113.2	D1548 N1560	D1546-D1548 PolarHBondContact OD1-N 2.84Å; D1546-D1548 WeakPolarHBondContact OD2-CB 3.34Å; D1546-D1548 PolarHBondContact OD2-N 3.4Å; D1546-N1560 HydrophobicContact CB-CB 3.82Å; D1546-N1560 PolarHBondContact OD2-ND2 3.35Å
1547	C	52	Low	54.7	Low	91 Å²	91	67.4 Å²	67.4	62%	0.615	36%	0.362	S	S	*	.			trans	77.1	27.7	-177.3	-56.2	0	0	0	0	117.7	G1549	C1547-G1549 PolarHBondContact O-N 2.77Å
1548	D	67.9	Low	55.5	Low	87 Å²	87	66.3 Å²	66.3	47%	0.465	36%	0.357	S	S	.	.	S	Bend	trans	-61.1	-27	168.9	91.2	-35.9	0	0	0	112.8	D1546 I1550	D1546-D1548 PolarHBondContact OD1-N 2.84Å; D1546-D1548 WeakPolarHBondContact OD2-CB 3.34Å; D1546-D1548 PolarHBondContact OD2-N 3.4Å; D1548-I1550 WeakPolarHBondContact OD1-CA 3.15Å; D1548-I1550 WeakPolarHBondContact OD1-CB 3.49Å; D1548-I1550 WeakPolarHBondContact OD1-CG1 3.39Å; D1548-I1550 PolarHBondContact OD1-N 3.46Å; D1548-I1550 WeakPolarHBondContact OD2-CD1 3.17Å; D1548-I1550 VanDerWaalsContact OD2-CG1 3.25Å; D1548-I1550 WeakPolarHBondContact OD2-CG1 3.08Å
1549	G	59.2	Low	56.8	Low	55 Å²	55	66.7 Å²	66.7	57%	0.567	36%	0.359	S	S	*	.	S	Bend	trans	114.9	1.6	-179.9	0	0	0	0	0	115.1	C1547	C1547-G1549 PolarHBondContact O-N 2.77Å
1550	I	58.4	Low	56.8	Low	65 Å²	65	64.9 Å²	64.9	33%	0.333	36%	0.356	S	S	.	.			trans	-102.4	127.6	174.2	-45.7	176	0	0	0	108.9	D1548 L1554 D1555	D1548-I1550 WeakPolarHBondContact OD1-CA 3.15Å; D1548-I1550 WeakPolarHBondContact OD1-CB 3.49Å; D1548-I1550 WeakPolarHBondContact OD1-CG1 3.39Å; D1548-I1550 PolarHBondContact OD1-N 3.46Å; D1548-I1550 WeakPolarHBondContact OD2-CD1 3.17Å; D1548-I1550 VanDerWaalsContact OD2-CG1 3.25Å; D1548-I1550 WeakPolarHBondContact OD2-CG1 3.08Å; I1550-L1554 HydrophobicContact CG2-CB 4.25Å; I1550-D1555 HydrophobicContact CB-CB 4.02Å; I1550-D1555 HydrophobicContact CG2-CB 3.86Å
1551	P	58.5	Low	58.1	Low	11 Å²	11	62.4 Å²	62.4	7%	0.071	35%	0.354	C	S	.	.			trans	-104.1	104.7	-162.9	35.7	-37.6	0	0	0	117.3	W1542 F1543 N1553 L1554	W1542-P1551 HydrophobicContact CB-CB 3.9Å; W1542-P1551 HydrophobicContact CB-CG 4.34Å; W1542-P1551 HydrophobicContact CD2-CG 4.37Å; W1542-P1551 HydrophobicContact CG-CB 3.88Å; W1542-P1551 HydrophobicContact CG-CG 3.81Å; F1543-P1551 WeakPolarHBondContact O-CA 3.41Å; F1543-P1551 WeakPolarHBondContact O-CB 3.18Å; P1551-N1553 VanDerWaalsContact C-N 3.3Å; P1551-N1553 VanDerWaalsContact O-CG 3.24Å; P1551-N1553 PolarHBondContact O-N 2.84Å; P1551-N1553 PolarHBondContact O-ND2 3.2Å; P1551-L1554 HydrophobicContact CG-CD1 4.37Å
1552	D	59.5	Low	58.5	Low	35 Å²	35	63.1 Å²	63.1	19%	0.187	36%	0.362	C	S	.	.	S	Bend	trans	54.6	23	142.8	-127.9	97.2	0	0	0	118.2	F1543 D1544 H1545 D1558	F1543-D1552 VanDerWaalsContact C-CB 3.46Å; F1543-D1552 HydrophobicContact CB-CB 3.93Å; F1543-D1552 WeakPolarHBondContact CB-OD1 3.22Å; F1543-D1552 WeakPolarHBondContact CB-OD2 3.3Å; D1544-D1552 PolarHBondContact N-OD1 3.37Å; H1545-D1552 IonicContact CE1-OD1 2.84Å; H1545-D1552 IonicContact CE1-OD2 2.64Å; H1545-D1552 IonicContact CG-OD1 3.54Å; H1545-D1552 IonicContact ND1-OD1 3.71Å; H1545-D1552 PolarHBondContact ND1-OD1 3.04Å; H1545-D1552 IonicContact ND1-OD2 2.65Å; D1552-D1558 VanDerWaalsContact C-CG 3.45Å; D1552-D1558 WeakPolarHBondContact CA-OD1 3.36Å; D1552-D1558 VanDerWaalsContact CA-OD2 3.22Å; D1552-D1558 WeakPolarHBondContact CA-OD2 3Å
1553	N	55.9	Low	58	Low	82 Å²	82	68.5 Å²	68.5	44%	0.439	38%	0.383	S	S	.	.	S	Bend	trans	160.6	1.8	-166.3	54.9	107	0	0	0	113.7	W1542 P1551 D1558	W1542-N1553 VanDerWaalsContact CD1-ND2 3.28Å; W1542-N1553 PolarHBondContact NE1-OD1 2.77Å; W1542-N1553 VanDerWaalsContact NE1-OD1 3.11Å; P1551-N1553 VanDerWaalsContact C-N 3.3Å; P1551-N1553 VanDerWaalsContact O-CG 3.24Å; P1551-N1553 PolarHBondContact O-N 2.84Å; P1551-N1553 PolarHBondContact O-ND2 3.2Å; N1553-D1558 PolarHBondContact N-OD1 3.08Å; N1553-D1558 VanDerWaalsContact N-OD1 3.07Å
1554	L	56.8	Low	57.8	Low	49 Å²	49	70.3 Å²	70.3	26%	0.257	39%	0.391	S	S	.	.	S	Bend	trans	-137.9	-32.5	-179.8	-68.5	176.4	0	0	0	110.7	I1504 M1505 W1542 I1550 P1551	I1504-L1554 HydrophobicContact CD1-CD1 4.34Å; I1504-L1554 HydrophobicContact CD1-CD2 3.8Å; M1505-L1554 HydrophobicContact CE-CB 4.36Å; M1505-L1554 HydrophobicContact CG-CD1 4.25Å; M1505-L1554 HydrophobicContact SD-CB 4.06Å; M1505-L1554 HydrophobicContact SD-CD1 3.72Å; M1505-L1554 HydrophobicContact SD-CG 4.36Å; W1542-L1554 HydrophobicContact CZ2-CD1 3.86Å; I1550-L1554 HydrophobicContact CG2-CB 4.25Å; P1551-L1554 HydrophobicContact CG-CD1 4.37Å
1555	D	52.8	Low	57.4	Low	13 Å²	13	72.4 Å²	72.4	7%	0.07	40%	0.402	C	S	.	.	S	Bend	trans	-55.9	142.2	143	-165.2	-10.7	0	0	0	108.6	I1550 D1557	I1550-D1555 HydrophobicContact CB-CB 4.02Å; I1550-D1555 HydrophobicContact CG2-CB 3.86Å; D1555-D1557 PolarHBondContact OD1-N 2.9Å
1556	P	56.6	Low	56.5	Low	55 Å²	55	69.3 Å²	69.3	36%	0.357	40%	0.395	S	S	.	.	S	Bend	trans	-98.5	-6.4	167.6	14.2	6.9	0	0	0	113.7	F1564 D1565	P1556-F1564 HydrophobicContact CB-CB 4.43Å; P1556-F1564 HydrophobicContact CB-CD1 3.52Å; P1556-F1564 HydrophobicContact CB-CE1 4Å; P1556-F1564 HydrophobicContact CB-CG 4.17Å; P1556-F1564 HydrophobicContact CG-CD1 3.77Å; P1556-F1564 HydrophobicContact CG-CE1 3.69Å; P1556-F1564 CarbonylContact O-C 3.53Å; P1556-F1564 WeakPolarHBondContact O-CA 3.29Å; P1556-D1565 PolarHBondContact O-N 2.87Å
1557	D	62.9	Low	56.3	Low	15 Å²	15	71.9 Å²	71.9	8%	0.08	40%	0.404	C	S	.	.	S	Bend	trans	-127.5	62.9	-177.9	-159.6	-38.9	0	0	0	109.2	D1555 D1559 N1560 D1561 G1562 Y1563 F1564	D1555-D1557 PolarHBondContact OD1-N 2.9Å; D1557-D1559 PolarHBondContact O-N 3.29Å; D1557-N1560 PolarHBondContact O-N 2.98Å; D1557-N1560 VanDerWaalsContact OD1-CA 3.28Å; D1557-N1560 WeakPolarHBondContact OD1-CA 3.4Å; D1557-N1560 PolarHBondContact OD1-N 2.95Å; D1557-D1561 PolarHBondContact OD1-N 3.41Å; D1557-D1561 VanDerWaalsContact OD1-N 3.12Å; D1557-G1562 WeakPolarHBondContact OD2-CA 3.35Å; D1557-G1562 PolarHBondContact OD2-N 2.99Å; D1557-Y1563 PolarHBondContact OD2-N 3.04Å; D1557-Y1563 VanDerWaalsContact OD2-N 3.08Å; D1557-F1564 HydrophobicContact CB-CD1 3.86Å; D1557-F1564 HydrophobicContact CB-CE1 4.28Å
1558	D	62.5	Low	56.2	Low	23 Å²	23	73.4 Å²	73.4	12%	0.123	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-14.1	-162.2	-81.8	-0.9	0	0	0	115.6	H1545 D1552 N1553	H1545-D1558 VanDerWaalsContact CB-O 3.3Å; H1545-D1558 WeakPolarHBondContact CB-O 3.43Å; D1552-D1558 VanDerWaalsContact C-CG 3.45Å; D1552-D1558 WeakPolarHBondContact CA-OD1 3.36Å; D1552-D1558 VanDerWaalsContact CA-OD2 3.22Å; D1552-D1558 WeakPolarHBondContact CA-OD2 3Å; N1553-D1558 PolarHBondContact N-OD1 3.08Å; N1553-D1558 VanDerWaalsContact N-OD1 3.07Å
1559	D	71.1	Confident	56.2	Low	106 Å²	106	71.3 Å²	71.3	57%	0.567	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.6	9.5	174	42.5	11.1	0	0	0	115.8	D1557 D1561	D1557-D1559 PolarHBondContact O-N 3.29Å; D1559-D1561 VanDerWaalsContact C-N 3.31Å; D1559-D1561 PolarHBondContact O-N 2.87Å
1560	N	54.6	Low	56.7	Low	103 Å²	103	70.4 Å²	70.4	55%	0.551	38%	0.376	S	S	*	.			trans	58	36.8	172.9	-129.5	-42.2	0	0	0	113.7	D1546 D1557 G1562	D1546-N1560 HydrophobicContact CB-CB 3.82Å; D1546-N1560 PolarHBondContact OD2-ND2 3.35Å; D1557-N1560 PolarHBondContact O-N 2.98Å; D1557-N1560 VanDerWaalsContact OD1-CA 3.28Å; D1557-N1560 WeakPolarHBondContact OD1-CA 3.4Å; D1557-N1560 PolarHBondContact OD1-N 2.95Å; N1560-G1562 VanDerWaalsContact C-N 3.31Å
1561	D	74.1	Confident	57.1	Low	103 Å²	103	69.3 Å²	69.3	55%	0.551	37%	0.37	S	S	*	.	S	Bend	trans	-85.6	-4.9	179.6	88.4	-11.2	0	0	0	113.4	D1557 D1559 Y1563	D1557-D1561 PolarHBondContact OD1-N 3.41Å; D1557-D1561 VanDerWaalsContact OD1-N 3.12Å; D1559-D1561 VanDerWaalsContact C-N 3.31Å; D1559-D1561 PolarHBondContact O-N 2.87Å; D1561-Y1563 WeakPolarHBondContact OD1-CA 3.35Å; D1561-Y1563 VanDerWaalsContact OD1-CB 3.31Å; D1561-Y1563 WeakPolarHBondContact OD1-CB 3.49Å; D1561-Y1563 PolarHBondContact OD1-N 2.8Å
1562	G	56.5	Low	57.3	Low	60 Å²	60	80.1 Å²	80.1	62%	0.619	41%	0.41	S	S	*	.	S	Bend	trans	97	-0.9	-178.4	0	0	0	0	0	114.1	D1557 N1560	D1557-G1562 WeakPolarHBondContact OD2-CA 3.35Å; D1557-G1562 PolarHBondContact OD2-N 2.99Å; N1560-G1562 VanDerWaalsContact C-N 3.31Å
1563	Y	39.4	Very low	58.1	Low	152 Å²	152	83.1 Å²	83.1	60%	0.596	43%	0.426	S	S	*	.	S	Bend	trans	-119.5	115	179.2	-65.2	-84.3	0	0	0	113.5	D1557 D1561 D1565	D1557-Y1563 PolarHBondContact OD2-N 3.04Å; D1557-Y1563 VanDerWaalsContact OD2-N 3.08Å; D1561-Y1563 WeakPolarHBondContact OD1-CA 3.35Å; D1561-Y1563 VanDerWaalsContact OD1-CB 3.31Å; D1561-Y1563 WeakPolarHBondContact OD1-CB 3.49Å; D1561-Y1563 PolarHBondContact OD1-N 2.8Å; Y1563-D1565 PolarHBondContact O-N 3.45Å
1564	F	45.8	Very low	58.6	Low	136 Å²	136	82.2 Å²	82.2	60%	0.596	44%	0.436	S	S	*	.			trans	-56.9	87	175.6	-70.7	-44.4	0	0	0	115.3	P1556 D1557 S1566 K1567	P1556-F1564 HydrophobicContact CB-CB 4.43Å; P1556-F1564 HydrophobicContact CB-CD1 3.52Å; P1556-F1564 HydrophobicContact CB-CE1 4Å; P1556-F1564 HydrophobicContact CB-CG 4.17Å; P1556-F1564 HydrophobicContact CG-CD1 3.77Å; P1556-F1564 HydrophobicContact CG-CE1 3.69Å; P1556-F1564 CarbonylContact O-C 3.53Å; P1556-F1564 WeakPolarHBondContact O-CA 3.29Å; D1557-F1564 HydrophobicContact CB-CD1 3.86Å; D1557-F1564 HydrophobicContact CB-CE1 4.28Å; F1564-S1566 PolarHBondContact O-N 3.06Å; F1564-K1567 PolarHBondContact O-N 2.89Å
1565	D	47.5	Very low	59	Low	104 Å²	104	83 Å²	83	56%	0.556	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-32.4	-31.2	176.1	176.1	48.5	0	0	0	115.7	P1556 Y1563	P1556-D1565 PolarHBondContact O-N 2.87Å; Y1563-D1565 PolarHBondContact O-N 3.45Å
1566	S	40.4	Very low	59.5	Low	62 Å²	62	85.5 Å²	85.5	43%	0.434	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.5	30.1	-177.8	78.5	0	0	0	0	120.3	F1564	F1564-S1566 PolarHBondContact O-N 3.06Å
1567	K	48.9	Very low	60	Low	103 Å²	103	84.4 Å²	84.4	45%	0.448	44%	0.444	S	S	.	.			trans	-177.7	118.9	145.3	-102.3	158.6	-85.8	64.9	0	113.7	F1564 L1576	F1564-K1567 PolarHBondContact O-N 2.89Å; K1567-L1576 HydrophobicContact CB-CD2 4.27Å; K1567-L1576 HydrophobicContact CD-CD1 4.04Å
1568	Q	51.7	Low	59.8	Low	123 Å²	123	90.5 Å²	90.5	58%	0.575	47%	0.472	S	S	*	.			trans	-70.3	143.4	170.8	-68.2	168.8	-54.7	0	0	113.6	N1577	Q1568-N1577 PolarHBondContact O-N 2.61Å; Q1568-N1577 VanDerWaalsContact O-N 3.11Å; Q1568-N1577 PolarHBondContact O-OD1 3.37Å; Q1568-N1577 VanDerWaalsContact O-OD1 3.07Å
1569	D	66.5	Low	59.9	Low	43 Å²	43	96.5 Å²	96.5	23%	0.23	50%	0.497	C	S	.	.			trans	-128.7	87.4	164.2	-171.9	-53.8	0	0	0	105.1	D1571 R1572 D1573 G1574 I1575 L1576 N1577	D1569-D1571 VanDerWaalsContact C-N 3.27Å; D1569-D1571 PolarHBondContact O-N 3.08Å; D1569-R1572 WeakPolarHBondContact OD1-CA 3.17Å; D1569-R1572 PolarHBondContact OD1-N 3.32Å; D1569-R1572 VanDerWaalsContact OD1-N 3.1Å; D1569-D1573 PolarHBondContact OD1-N 3.49Å; D1569-G1574 VanDerWaalsContact OD2-C 3.25Å; D1569-G1574 VanDerWaalsContact OD2-CA 3.25Å; D1569-G1574 WeakPolarHBondContact OD2-CA 3.25Å; D1569-G1574 PolarHBondContact OD2-N 3.26Å; D1569-I1575 PolarHBondContact OD2-N 2.89Å; D1569-L1576 HydrophobicContact CB-CD2 4.35Å; D1569-L1576 PolarHBondContact OD2-N 2.9Å; D1569-N1577 VanDerWaalsContact CA-OD1 3.29Å; D1569-N1577 WeakPolarHBondContact CA-OD1 3.49Å
1570	S	70.5	Confident	59.6	Low	36 Å²	36	94.5 Å²	94.5	25%	0.252	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-9.2	-161.6	-80.3	0	0	0	0	115.1	N1577 D1583 N1597	S1570-N1577 WeakPolarHBondContact CB-ND2 3.17Å; S1570-N1577 PolarHBondContact N-OD1 3.28Å; S1570-N1577 PolarHBondContact OG-ND2 2.85Å; S1570-D1583 CarbonylContact C-O 3.55Å; S1570-D1583 WeakPolarHBondContact CB-O 3.45Å; S1570-N1597 WeakPolarHBondContact OG-CB 3.1Å
1571	D	67.6	Low	60.8	Low	41 Å²	41	96 Å²	96	22%	0.219	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-4.6	178.5	71.2	-2.4	0	0	0	114.4	D1569 D1573 D1583 N1585	D1569-D1571 VanDerWaalsContact C-N 3.27Å; D1569-D1571 PolarHBondContact O-N 3.08Å; D1571-D1573 PolarHBondContact O-N 2.78Å; D1571-D1573 WeakPolarHBondContact OD1-CB 3.19Å; D1571-D1573 PolarHBondContact OD1-N 3.32Å; D1571-D1573 WeakPolarHBondContact OD2-CB 3.31Å; D1571-D1583 PolarHBondContact N-O 2.88Å; D1571-N1585 HydrophobicContact CB-CB 3.9Å; D1571-N1585 WeakPolarHBondContact OD2-CB 3.41Å; D1571-N1585 PolarHBondContact OD2-ND2 3.34Å
1572	R	61.6	Low	61.3	Low	239 Å²	239	92.9 Å²	92.9	90%	0.902	48%	0.478	S	S	*	.	S	Bend	trans	57.1	28.1	-174.5	-54.7	-177.2	179.3	-173.6	-1.4	113.3	D1569 G1574	D1569-R1572 WeakPolarHBondContact OD1-CA 3.17Å; D1569-R1572 PolarHBondContact OD1-N 3.32Å; D1569-R1572 VanDerWaalsContact OD1-N 3.1Å; R1572-G1574 VanDerWaalsContact C-N 3.3Å
1573	D	76.9	Confident	62.6	Low	97 Å²	97	91.1 Å²	91.1	52%	0.519	45%	0.454	S	S	.	.	S	Bend	trans	-73.5	-21.8	172.5	173.5	-77.4	0	0	0	112	D1569 D1571 I1575	D1569-D1573 PolarHBondContact OD1-N 3.49Å; D1571-D1573 PolarHBondContact O-N 2.78Å; D1571-D1573 WeakPolarHBondContact OD1-CB 3.19Å; D1571-D1573 PolarHBondContact OD1-N 3.32Å; D1571-D1573 WeakPolarHBondContact OD2-CB 3.31Å; D1573-I1575 VanDerWaalsContact OD1-CD1 3.24Å; D1573-I1575 WeakPolarHBondContact OD1-CD1 3.27Å; D1573-I1575 VanDerWaalsContact OD1-CG1 3.3Å; D1573-I1575 WeakPolarHBondContact OD1-CG1 2.81Å
1574	G	65.3	Low	64.5	Low	64 Å²	64	86.1 Å²	86.1	66%	0.66	44%	0.438	S	S	*	.	S	Bend	trans	93.7	25.8	-175.4	0	0	0	0	0	113.2	D1569 R1572	D1569-G1574 VanDerWaalsContact OD2-C 3.25Å; D1569-G1574 VanDerWaalsContact OD2-CA 3.25Å; D1569-G1574 WeakPolarHBondContact OD2-CA 3.25Å; D1569-G1574 PolarHBondContact OD2-N 3.26Å; R1572-G1574 VanDerWaalsContact C-N 3.3Å
1575	I	66.8	Low	65.7	Low	66 Å²	66	84 Å²	84	34%	0.338	43%	0.433	S	S	.	.			trans	-131.6	85.9	175.9	-55.3	176.6	0	0	0	109	D1569 D1573 F1579 D1580	D1569-I1575 PolarHBondContact OD2-N 2.89Å; D1573-I1575 VanDerWaalsContact OD1-CD1 3.24Å; D1573-I1575 WeakPolarHBondContact OD1-CD1 3.27Å; D1573-I1575 VanDerWaalsContact OD1-CG1 3.3Å; D1573-I1575 WeakPolarHBondContact OD1-CG1 2.81Å; I1575-F1579 HydrophobicContact CG2-CB 4.04Å; I1575-D1580 HydrophobicContact CG2-CB 3.94Å
1576	L	61.8	Low	67.3	Low	65 Å²	65	84 Å²	84	34%	0.34	43%	0.433	S	S	.	.			trans	-28.6	135.2	167.1	-51.3	170.9	0	0	0	113.8	K1567 D1569 E1578 F1579	K1567-L1576 HydrophobicContact CB-CD2 4.27Å; K1567-L1576 HydrophobicContact CD-CD1 4.04Å; D1569-L1576 HydrophobicContact CB-CD2 4.35Å; D1569-L1576 PolarHBondContact OD2-N 2.9Å; L1576-E1578 PolarHBondContact O-N 3.15Å; L1576-F1579 HydrophobicContact CB-CD2 4.43Å; L1576-F1579 PolarHBondContact O-N 3.11Å
1577	N	68.3	Low	69	Low	32 Å²	32	83.3 Å²	83.3	17%	0.171	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-15.7	-177.2	-61.5	27.7	0	0	0	114.6	Q1568 D1569 S1570 F1579 D1583	Q1568-N1577 PolarHBondContact O-N 2.61Å; Q1568-N1577 VanDerWaalsContact O-N 3.11Å; Q1568-N1577 PolarHBondContact O-OD1 3.37Å; Q1568-N1577 VanDerWaalsContact O-OD1 3.07Å; D1569-N1577 VanDerWaalsContact CA-OD1 3.29Å; D1569-N1577 WeakPolarHBondContact CA-OD1 3.49Å; S1570-N1577 WeakPolarHBondContact CB-ND2 3.17Å; S1570-N1577 PolarHBondContact N-OD1 3.28Å; S1570-N1577 PolarHBondContact OG-ND2 2.85Å; N1577-F1579 PolarHBondContact O-N 3Å; N1577-D1583 HydrophobicContact CB-CB 4.42Å; N1577-D1583 WeakPolarHBondContact CB-OD2 3.11Å
1578	E	57.4	Low	70	Confident	143 Å²	143	81.7 Å²	81.7	67%	0.668	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.9	168.7	-77.9	-154.2	-96.5	0	0	114.2	L1576	L1576-E1578 PolarHBondContact O-N 3.15Å
1579	F	66.4	Low	71.2	Confident	149 Å²	149	78.2 Å²	78.2	65%	0.654	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134	-15.7	-163.6	-67.5	-65.9	0	0	0	117.6	I1575 L1576 N1577	I1575-F1579 HydrophobicContact CG2-CB 4.04Å; L1576-F1579 HydrophobicContact CB-CD2 4.43Å; L1576-F1579 PolarHBondContact O-N 3.11Å; N1577-F1579 PolarHBondContact O-N 3Å
1580	D	63.2	Low	71.6	Confident	63 Å²	63	78.7 Å²	78.7	34%	0.337	42%	0.421	S	S	.	.			trans	-80.9	-175.2	165.5	-141.8	-84.7	0	0	0	112.2	I1575 D1582	I1575-D1580 HydrophobicContact CG2-CB 3.94Å; D1580-D1582 PolarHBondContact OD1-N 3.38Å
1581	D	81.4	Confident	71.7	Confident	134 Å²	134	81.6 Å²	81.6	72%	0.717	44%	0.442	S	S	*	.	S	Bend	trans	-121.4	9.1	170.6	-83.3	-53.1	0	0	0	108.9	P1589 D1590	D1581-P1589 WeakPolarHBondContact O-CA 3.18Å; D1581-P1589 WeakPolarHBondContact O-CB 2.98Å; D1581-D1590 VanDerWaalsContact C-OD1 3.24Å
1582	D	83.5	Confident	71.7	Confident	39 Å²	39	87.9 Å²	87.9	21%	0.209	47%	0.47	C	S	.	.	S	Bend	trans	-158.8	46.4	-160.6	-137.2	20.1	0	0	0	111.1	D1580 D1584 N1585 G1587 I1588 P1589	D1580-D1582 PolarHBondContact OD1-N 3.38Å; D1582-D1584 VanDerWaalsContact C-N 3.32Å; D1582-D1584 PolarHBondContact O-N 3.18Å; D1582-N1585 WeakPolarHBondContact O-CA 3.36Å; D1582-N1585 PolarHBondContact O-N 2.85Å; D1582-G1587 WeakPolarHBondContact OD1-CA 3.15Å; D1582-G1587 WeakPolarHBondContact OD2-CA 2.93Å; D1582-I1588 PolarHBondContact OD1-N 3.37Å; D1582-P1589 VanDerWaalsContact OD1-CA 3.27Å; D1582-P1589 WeakPolarHBondContact OD1-CA 3.23Å
1583	D	84.6	Confident	71.7	Confident	22 Å²	22	78.7 Å²	78.7	12%	0.118	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.3	-30.8	-163.3	-71.4	-2.1	0	0	0	119	S1570 D1571 N1577 S1596	S1570-D1583 CarbonylContact C-O 3.55Å; S1570-D1583 WeakPolarHBondContact CB-O 3.45Å; D1571-D1583 PolarHBondContact N-O 2.88Å; N1577-D1583 HydrophobicContact CB-CB 4.42Å; N1577-D1583 WeakPolarHBondContact CB-OD2 3.11Å; D1583-S1596 VanDerWaalsContact CB-O 3.29Å; D1583-S1596 WeakPolarHBondContact CB-O 3.22Å
1584	D	79.6	Confident	71.4	Confident	47 Å²	47	78 Å²	78	25%	0.251	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-1.1	179.1	78.4	-22	0	0	0	114.3	D1582 D1586	D1582-D1584 VanDerWaalsContact C-N 3.32Å; D1582-D1584 PolarHBondContact O-N 3.18Å; D1584-D1586 PolarHBondContact O-N 3.47Å; D1584-D1586 VanDerWaalsContact O-N 3.12Å; D1584-D1586 WeakPolarHBondContact OD1-CB 3.25Å; D1584-D1586 PolarHBondContact OD1-N 3.17Å; D1584-D1586 VanDerWaalsContact OD2-CB 3.29Å; D1584-D1586 WeakPolarHBondContact OD2-CB 3.4Å
1585	N	70.6	Confident	72	Confident	92 Å²	92	76.5 Å²	76.5	49%	0.492	42%	0.416	S	S	.	.	S	Bend	trans	53.1	17	-171.7	-125.5	-56	0	0	0	116.8	D1571 D1582 G1587	D1571-N1585 HydrophobicContact CB-CB 3.9Å; D1571-N1585 WeakPolarHBondContact OD2-CB 3.41Å; D1571-N1585 PolarHBondContact OD2-ND2 3.34Å; D1582-N1585 WeakPolarHBondContact O-CA 3.36Å; D1582-N1585 PolarHBondContact O-N 2.85Å; N1585-G1587 PolarHBondContact O-N 3.38Å
1586	D	80.6	Confident	72.3	Confident	105 Å²	105	74.5 Å²	74.5	56%	0.561	41%	0.408	S	S	*	.	S	Bend	trans	-57	-36.2	169.6	152	-75.2	0	0	0	110.6	D1584 I1588	D1584-D1586 PolarHBondContact O-N 3.47Å; D1584-D1586 VanDerWaalsContact O-N 3.12Å; D1584-D1586 WeakPolarHBondContact OD1-CB 3.25Å; D1584-D1586 PolarHBondContact OD1-N 3.17Å; D1584-D1586 VanDerWaalsContact OD2-CB 3.29Å; D1584-D1586 WeakPolarHBondContact OD2-CB 3.4Å; D1586-I1588 WeakPolarHBondContact OD1-CB 3.28Å; D1586-I1588 VanDerWaalsContact OD1-CD1 3.26Å; D1586-I1588 WeakPolarHBondContact OD1-CD1 3.1Å; D1586-I1588 WeakPolarHBondContact OD1-CG1 3.41Å; D1586-I1588 PolarHBondContact OD1-N 3.03Å
1587	G	75.7	Confident	72.8	Confident	46 Å²	46	73.4 Å²	73.4	47%	0.474	40%	0.402	S	S	.	.	S	Bend	trans	101.9	19.3	-174.6	0	0	0	0	0	114.7	D1582 N1585	D1582-G1587 WeakPolarHBondContact OD1-CA 3.15Å; D1582-G1587 WeakPolarHBondContact OD2-CA 2.93Å; N1585-G1587 PolarHBondContact O-N 3.38Å
1588	I	69.8	Low	72.8	Confident	69 Å²	69	73.9 Å²	73.9	35%	0.354	42%	0.415	S	S	.	.	S	Bend	trans	-109.9	106.4	163.8	-59.7	157.9	0	0	0	108.7	D1582 D1586 D1590 D1593	D1582-I1588 PolarHBondContact OD1-N 3.37Å; D1586-I1588 WeakPolarHBondContact OD1-CB 3.28Å; D1586-I1588 VanDerWaalsContact OD1-CD1 3.26Å; D1586-I1588 WeakPolarHBondContact OD1-CD1 3.1Å; D1586-I1588 WeakPolarHBondContact OD1-CG1 3.41Å; D1586-I1588 PolarHBondContact OD1-N 3.03Å; I1588-D1590 PolarHBondContact O-N 3.38Å; I1588-D1593 HydrophobicContact CB-CB 4.42Å; I1588-D1593 WeakPolarHBondContact CD1-OD2 3.3Å; I1588-D1593 HydrophobicContact CG2-CB 3.82Å; I1588-D1593 WeakPolarHBondContact CG2-OD2 3.24Å
1589	P	77.9	Confident	73.4	Confident	50 Å²	50	71.4 Å²	71.4	33%	0.325	41%	0.406	S	S	.	.			trans	-65.8	120.5	-174.7	26.5	-37.2	0	0	0	110.9	D1581 D1582 S1591 E1592	D1581-P1589 WeakPolarHBondContact O-CA 3.18Å; D1581-P1589 WeakPolarHBondContact O-CB 2.98Å; D1582-P1589 VanDerWaalsContact OD1-CA 3.27Å; D1582-P1589 WeakPolarHBondContact OD1-CA 3.23Å; P1589-S1591 CarbonylContact O-C 3.34Å; P1589-S1591 PolarHBondContact O-N 2.83Å; P1589-E1592 PolarHBondContact O-N 2.65Å
1590	D	74.4	Confident	73.4	Confident	53 Å²	53	66.9 Å²	66.9	28%	0.283	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-18.9	-49.8	179.6	59.8	-76.5	0	0	0	114.6	D1581 I1588 E1592 D1593	D1581-D1590 VanDerWaalsContact C-OD1 3.24Å; I1588-D1590 PolarHBondContact O-N 3.38Å; D1590-E1592 PolarHBondContact O-N 2.91Å; D1590-D1593 PolarHBondContact O-N 2.94Å
1591	S	73.3	Confident	72.8	Confident	98 Å²	98	67.4 Å²	67.4	69%	0.685	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-56.1	-12.2	174.9	72.4	0	0	0	0	117.1	P1589	P1589-S1591 CarbonylContact O-C 3.34Å; P1589-S1591 PolarHBondContact O-N 2.83Å
1592	E	67.9	Low	71.6	Confident	173 Å²	173	63.3 Å²	63.3	81%	0.808	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-123.3	-0.4	169.3	-69.2	-159.5	172.3	0	0	114.4	P1589 D1590	P1589-E1592 PolarHBondContact O-N 2.65Å; D1590-E1592 PolarHBondContact O-N 2.91Å
1593	D	61.6	Low	70.4	Confident	46 Å²	46	66.2 Å²	66.2	25%	0.246	40%	0.4	C	S	.	.			trans	-94	162.8	175.4	-141.6	-93.4	0	0	0	113.7	I1588 D1590 D1595	I1588-D1593 HydrophobicContact CB-CB 4.42Å; I1588-D1593 WeakPolarHBondContact CD1-OD2 3.3Å; I1588-D1593 HydrophobicContact CG2-CB 3.82Å; I1588-D1593 WeakPolarHBondContact CG2-OD2 3.24Å; D1590-D1593 PolarHBondContact O-N 2.94Å; D1593-D1595 PolarHBondContact OD1-N 2.98Å; D1593-D1595 VanDerWaalsContact OD1-N 3.17Å
1594	P	69.4	Low	68.5	Low	81 Å²	81	70.2 Å²	70.2	53%	0.526	43%	0.429	S	S	.	.	S	Bend	trans	-96	-14	168	-13.6	33.5	0	0	0	116.1	P1602 D1603	P1594-P1602 HydrophobicContact CB-CB 4.02Å; P1594-P1602 CarbonylContact O-C 3.57Å; P1594-P1602 WeakPolarHBondContact O-CA 3.42Å; P1594-P1602 VanDerWaalsContact O-CB 3.23Å; P1594-P1602 WeakPolarHBondContact O-CB 3.15Å; P1594-D1603 PolarHBondContact O-N 3.29Å; P1594-D1603 VanDerWaalsContact O-OD1 3.09Å
1595	D	77.3	Confident	67	Low	33 Å²	33	72 Å²	72	18%	0.176	44%	0.437	C	S	.	.			trans	-134.3	78.6	-164.5	172.6	-7.7	0	0	0	106.1	D1593 N1597 G1598 D1599 G1600	D1593-D1595 PolarHBondContact OD1-N 2.98Å; D1593-D1595 VanDerWaalsContact OD1-N 3.17Å; D1595-N1597 PolarHBondContact O-N 2.81Å; D1595-G1598 PolarHBondContact OD1-N 2.83Å; D1595-D1599 PolarHBondContact OD1-N 2.98Å; D1595-G1600 PolarHBondContact OD1-N 2.88Å; D1595-G1600 VanDerWaalsContact OD2-C 3.24Å; D1595-G1600 WeakPolarHBondContact OD2-CA 3.25Å; D1595-G1600 PolarHBondContact OD2-N 2.88Å
1596	S	74.6	Confident	65.9	Low	24 Å²	24	72.1 Å²	72.1	17%	0.168	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-20.7	-159.6	-58.8	0	0	0	0	113.7	D1583 D1603	D1583-S1596 VanDerWaalsContact CB-O 3.29Å; D1583-S1596 WeakPolarHBondContact CB-O 3.22Å; S1596-D1603 PolarHBondContact N-OD1 3.14Å; S1596-D1603 PolarHBondContact OG-OD1 3.05Å; S1596-D1603 PolarHBondContact OG-OD2 2.74Å
1597	N	72.5	Confident	64.3	Low	42 Å²	42	72.2 Å²	72.2	23%	0.225	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	2.9	-177.1	55.3	-64	0	0	0	113.6	S1570 D1595 D1599	S1570-N1597 WeakPolarHBondContact OG-CB 3.1Å; D1595-N1597 PolarHBondContact O-N 2.81Å; N1597-D1599 VanDerWaalsContact C-N 3.34Å; N1597-D1599 PolarHBondContact ND2-OD2 3.07Å; N1597-D1599 PolarHBondContact O-N 3.45Å
1598	G	66.6	Low	63.5	Low	43 Å²	43	72.7 Å²	72.7	44%	0.443	43%	0.428	S	S	.	.	S	Bend	trans	76.6	12.1	170.4	0	0	0	0	0	115.9	D1595 G1600	D1595-G1598 PolarHBondContact OD1-N 2.83Å; G1598-G1600 VanDerWaalsContact C-N 3.31Å
1599	D	70.9	Confident	63.3	Low	90 Å²	90	72.4 Å²	72.4	48%	0.481	43%	0.432	S	S	.	.	S	Bend	trans	-78.8	-12.5	-178.7	65.6	11.8	0	0	0	113.3	D1595 N1597 I1601	D1595-D1599 PolarHBondContact OD1-N 2.98Å; N1597-D1599 VanDerWaalsContact C-N 3.34Å; N1597-D1599 PolarHBondContact ND2-OD2 3.07Å; N1597-D1599 PolarHBondContact O-N 3.45Å; D1599-I1601 WeakPolarHBondContact OD1-CA 3.28Å; D1599-I1601 WeakPolarHBondContact OD1-CB 3.3Å; D1599-I1601 PolarHBondContact OD1-N 3.34Å
1600	G	65.9	Low	62.6	Low	54 Å²	54	72.6 Å²	72.6	56%	0.557	43%	0.431	S	S	*	.	S	Bend	trans	96.1	-2.4	-177.1	0	0	0	0	0	114.3	D1595 G1598	D1595-G1600 PolarHBondContact OD1-N 2.88Å; D1595-G1600 VanDerWaalsContact OD2-C 3.24Å; D1595-G1600 WeakPolarHBondContact OD2-CA 3.25Å; D1595-G1600 PolarHBondContact OD2-N 2.88Å; G1598-G1600 VanDerWaalsContact C-N 3.31Å
1601	I	50.8	Low	61.8	Low	74 Å²	74	71.9 Å²	71.9	38%	0.379	44%	0.436	S	S	.	.	S	Bend	trans	-116.1	105.6	-171.1	-51.4	-177.1	0	0	0	110	D1599 D1603	D1599-I1601 WeakPolarHBondContact OD1-CA 3.28Å; D1599-I1601 WeakPolarHBondContact OD1-CB 3.3Å; D1599-I1601 PolarHBondContact OD1-N 3.34Å; I1601-D1603 PolarHBondContact O-N 2.95Å
1602	P	56.5	Low	61.9	Low	49 Å²	49	70.1 Å²	70.1	32%	0.318	42%	0.419	S	S	.	.			trans	-64.1	129.4	-174.5	-26.5	36	0	0	0	114.8	P1594 C1604	P1594-P1602 HydrophobicContact CB-CB 4.02Å; P1594-P1602 CarbonylContact O-C 3.57Å; P1594-P1602 WeakPolarHBondContact O-CA 3.42Å; P1594-P1602 VanDerWaalsContact O-CB 3.23Å; P1594-P1602 WeakPolarHBondContact O-CB 3.15Å; P1602-C1604 PolarHBondContact O-N 3.38Å
1603	D	58	Low	61.3	Low	99 Å²	99	67.7 Å²	67.7	53%	0.529	41%	0.407	S	S	.	.	S	Bend	trans	-35.4	19.2	-170.7	-42.5	-12.7	0	0	0	121	P1594 S1596 I1601	P1594-D1603 PolarHBondContact O-N 3.29Å; P1594-D1603 VanDerWaalsContact O-OD1 3.09Å; S1596-D1603 PolarHBondContact N-OD1 3.14Å; S1596-D1603 PolarHBondContact OG-OD1 3.05Å; S1596-D1603 PolarHBondContact OG-OD2 2.74Å; I1601-D1603 PolarHBondContact O-N 2.95Å
1604	C	44.5	Very low	61.2	Low	106 Å²	106	68.8 Å²	68.8	72%	0.716	41%	0.413	S	S	*	.	S	Bend	trans	-154.8	15.3	-159.8	63.8	0	0	0	0	114.8	P1602	P1602-C1604 PolarHBondContact O-N 3.38Å
1605	I	47.9	Very low	60.9	Low	85 Å²	85	66 Å²	66	44%	0.436	39%	0.394	S	S	.	.			trans	-141.9	125.2	-177.9	-59.3	177.9	0	0	0	107.7	H1617	I1605-H1617 VanDerWaalsContact CG2-CE1 3.41Å; I1605-H1617 WeakPolarHBondContact CG2-CE1 3.44Å; I1605-H1617 WeakPolarHBondContact CG2-NE2 3.5Å
1606	V	47.7	Very low	60.3	Low	94 Å²	94	66.7 Å²	66.7	57%	0.57	40%	0.398	S	S	*	.			cis	-139.8	-53.9	-25.6	74.5	0	0	0	0	112	P1615 D1616 H1617	V1606-P1615 HydrophobicContact CG1-CB 3.97Å; V1606-D1616 HydrophobicContact CG1-CB 4.26Å; V1606-H1617 WeakPolarHBondContact CG1-ND1 3.3Å
1607	K	46.2	Very low	59.9	Low	107 Å²	107	70.3 Å²	70.3	47%	0.465	41%	0.412	S	S	.	.			trans	-179.8	160.2	170.5	-164.6	-159.4	122.5	-61.1	0	105.4	S1609 P1615 D1616	K1607-S1609 PolarHBondContact NZ-OG 2.73Å; K1607-P1615 CarbonylContact O-C 3.45Å; K1607-P1615 WeakPolarHBondContact O-CA 3.21Å; K1607-P1615 WeakPolarHBondContact O-CB 3.34Å; K1607-D1616 WeakPolarHBondContact CB-OD2 3Å; K1607-D1616 VanDerWaalsContact CD-OD2 3.29Å; K1607-D1616 WeakPolarHBondContact CD-OD2 3.05Å; K1607-D1616 WeakPolarHBondContact CE-OD2 3.15Å; K1607-D1616 IonicContact NZ-OD1 3.95Å; K1607-D1616 PolarHBondContact NZ-OD1 2.88Å; K1607-D1616 IonicContact NZ-OD2 2.83Å; K1607-D1616 PolarHBondContact NZ-OD2 3.12Å; K1607-D1616 PolarHBondContact O-N 3.44Å
1608	D	59.9	Low	59.5	Low	57 Å²	57	73.8 Å²	73.8	31%	0.305	43%	0.43	S	S	.	.			trans	-134.7	149.1	176.7	161.1	-31.5	0	0	0	105.4	G1611 H1613 D1616	D1608-G1611 WeakPolarHBondContact OD1-CA 2.99Å; D1608-G1611 PolarHBondContact OD1-N 3.46Å; D1608-H1613 VanDerWaalsContact OD2-CA 3.24Å; D1608-H1613 WeakPolarHBondContact OD2-CA 3.35Å; D1608-H1613 PolarHBondContact OD2-N 3.26Å; D1608-D1616 WeakPolarHBondContact CA-OD1 3.21Å; D1608-D1616 PolarHBondContact N-OD1 2.64Å
1609	S	65.9	Low	59.3	Low	62 Å²	62	72.7 Å²	72.7	43%	0.434	41%	0.413	S	S	.	.	S	Bend	trans	-119.5	-35.8	-163	-84.2	0	0	0	0	115.2	K1607 D1616 D1622	K1607-S1609 PolarHBondContact NZ-OG 2.73Å; S1609-D1616 PolarHBondContact OG-OD1 2.7Å; S1609-D1622 WeakPolarHBondContact CB-O 3.25Å; S1609-D1622 PolarHBondContact OG-O 3.01Å; S1609-D1622 VanDerWaalsContact OG-O 3.11Å
1610	D	63.6	Low	59	Low	54 Å²	54	72.9 Å²	72.9	29%	0.289	42%	0.418	S	S	.	.	S	Bend	trans	-111.1	-40.5	-168.2	59.6	-52.4	0	0	0	110.8	D1612 N1624	D1610-D1612 VanDerWaalsContact OD2-CB 3.24Å; D1610-D1612 WeakPolarHBondContact OD2-CB 3.35Å; D1610-D1612 VanDerWaalsContact OD2-CG 3.3Å; D1610-D1612 PolarHBondContact OD2-N 3.23Å; D1610-D1612 VanDerWaalsContact OD2-N 3.13Å; D1610-N1624 HydrophobicContact CB-CB 3.87Å; D1610-N1624 PolarHBondContact OD2-ND2 2.87Å
1611	G	57.5	Low	59.5	Low	39 Å²	39	71.1 Å²	71.1	40%	0.402	40%	0.396	S	S	.	.	S	Bend	trans	122	-3.6	175	0	0	0	0	0	115.7	D1608 H1613	D1608-G1611 WeakPolarHBondContact OD1-CA 2.99Å; D1608-G1611 PolarHBondContact OD1-N 3.46Å; G1611-H1613 PolarHBondContact O-CE1 3.2Å; G1611-H1613 PolarHBondContact O-N 2.82Å; G1611-H1613 PolarHBondContact O-ND1 3.46Å
1612	D	74	Confident	60.7	Low	60 Å²	60	69.1 Å²	69.1	32%	0.321	39%	0.386	S	S	.	.	S	Bend	trans	-70.7	1	-173.1	84.7	-16.4	0	0	0	115.7	D1610 I1614 N1624	D1610-D1612 VanDerWaalsContact OD2-CB 3.24Å; D1610-D1612 WeakPolarHBondContact OD2-CB 3.35Å; D1610-D1612 VanDerWaalsContact OD2-CG 3.3Å; D1610-D1612 PolarHBondContact OD2-N 3.23Å; D1610-D1612 VanDerWaalsContact OD2-N 3.13Å; D1612-I1614 VanDerWaalsContact C-N 3.27Å; D1612-I1614 PolarHBondContact O-N 3.09Å; D1612-I1614 WeakPolarHBondContact OD1-CA 3.1Å; D1612-I1614 WeakPolarHBondContact OD1-CB 3.4Å; D1612-I1614 WeakPolarHBondContact OD1-CG1 3.4Å; D1612-I1614 PolarHBondContact OD1-N 3.07Å; D1612-I1614 VanDerWaalsContact OD2-CD1 3.24Å; D1612-I1614 WeakPolarHBondContact OD2-CD1 3.41Å; D1612-I1614 VanDerWaalsContact OD2-CG1 3.3Å; D1612-I1614 WeakPolarHBondContact OD2-CG1 3.36Å; D1612-N1624 PolarHBondContact OD2-ND2 3.18Å
1613	H	55.7	Low	61.5	Low	123 Å²	123	71.4 Å²	71.4	57%	0.569	40%	0.395	S	S	*	.	S	Bend	trans	72.5	8.1	-176.9	-55.6	12.7	0	0	0	114.7	D1608 G1611	D1608-H1613 VanDerWaalsContact OD2-CA 3.24Å; D1608-H1613 WeakPolarHBondContact OD2-CA 3.35Å; D1608-H1613 PolarHBondContact OD2-N 3.26Å; G1611-H1613 PolarHBondContact O-CE1 3.2Å; G1611-H1613 PolarHBondContact O-N 2.82Å; G1611-H1613 PolarHBondContact O-ND1 3.46Å
1614	I	60.8	Low	61.6	Low	69 Å²	69	70.9 Å²	70.9	35%	0.354	39%	0.393	S	S	.	.			trans	-96.6	116.2	171.3	-45.3	-176.7	0	0	0	109.9	D1612 I1618 D1619	D1612-I1614 VanDerWaalsContact C-N 3.27Å; D1612-I1614 PolarHBondContact O-N 3.09Å; D1612-I1614 WeakPolarHBondContact OD1-CA 3.1Å; D1612-I1614 WeakPolarHBondContact OD1-CB 3.4Å; D1612-I1614 WeakPolarHBondContact OD1-CG1 3.4Å; D1612-I1614 PolarHBondContact OD1-N 3.07Å; D1612-I1614 VanDerWaalsContact OD2-CD1 3.24Å; D1612-I1614 WeakPolarHBondContact OD2-CD1 3.41Å; D1612-I1614 VanDerWaalsContact OD2-CG1 3.3Å; D1612-I1614 WeakPolarHBondContact OD2-CG1 3.36Å; I1614-I1618 HydrophobicContact CG2-CB 4.36Å; I1614-I1618 HydrophobicContact CG2-CG2 4.07Å; I1614-D1619 HydrophobicContact CB-CB 3.97Å; I1614-D1619 HydrophobicContact CG2-CB 3.59Å
1615	P	61.5	Low	63	Low	21 Å²	21	69.9 Å²	69.9	14%	0.136	38%	0.38	C	S	.	.			trans	-82.6	142	-168	-16.5	31.9	0	0	0	115.7	V1606 K1607 H1617 I1618	V1606-P1615 HydrophobicContact CG1-CB 3.97Å; K1607-P1615 CarbonylContact O-C 3.45Å; K1607-P1615 WeakPolarHBondContact O-CA 3.21Å; K1607-P1615 WeakPolarHBondContact O-CB 3.34Å; P1615-H1617 PolarHBondContact O-N 2.74Å; P1615-H1617 PolarHBondContact O-ND1 3Å; P1615-I1618 PolarHBondContact O-N 2.76Å
1616	D	65.5	Low	63.8	Low	49 Å²	49	68.9 Å²	68.9	26%	0.262	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-20.2	26.9	176	-65.6	31.8	0	0	0	120.6	V1606 K1607 D1608 S1609 D1622	V1606-D1616 HydrophobicContact CG1-CB 4.26Å; K1607-D1616 WeakPolarHBondContact CB-OD2 3Å; K1607-D1616 VanDerWaalsContact CD-OD2 3.29Å; K1607-D1616 WeakPolarHBondContact CD-OD2 3.05Å; K1607-D1616 WeakPolarHBondContact CE-OD2 3.15Å; K1607-D1616 IonicContact NZ-OD1 3.95Å; K1607-D1616 PolarHBondContact NZ-OD1 2.88Å; K1607-D1616 IonicContact NZ-OD2 2.83Å; K1607-D1616 PolarHBondContact NZ-OD2 3.12Å; K1607-D1616 PolarHBondContact O-N 3.44Å; D1608-D1616 WeakPolarHBondContact CA-OD1 3.21Å; D1608-D1616 PolarHBondContact N-OD1 2.64Å; S1609-D1616 PolarHBondContact OG-OD1 2.7Å; D1616-D1622 VanDerWaalsContact CA-OD1 3.29Å; D1616-D1622 WeakPolarHBondContact CA-OD1 3.34Å
1617	H	66.2	Low	64.3	Low	100 Å²	100	67.4 Å²	67.4	46%	0.463	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-177.6	-3.1	-167.2	74.1	-39.3	0	0	0	115.5	I1605 V1606 P1615	I1605-H1617 VanDerWaalsContact CG2-CE1 3.41Å; I1605-H1617 WeakPolarHBondContact CG2-CE1 3.44Å; I1605-H1617 WeakPolarHBondContact CG2-NE2 3.5Å; V1606-H1617 WeakPolarHBondContact CG1-ND1 3.3Å; P1615-H1617 PolarHBondContact O-N 2.74Å; P1615-H1617 PolarHBondContact O-ND1 3Å
1618	I	63.6	Low	65.2	Low	115 Å²	115	64.4 Å²	64.4	59%	0.59	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	-41.3	177	-71.5	170.3	0	0	0	108.7	I1614 P1615	I1614-I1618 HydrophobicContact CG2-CB 4.36Å; I1614-I1618 HydrophobicContact CG2-CG2 4.07Å; P1615-I1618 PolarHBondContact O-N 2.76Å
1619	D	62.1	Low	65.4	Low	19 Å²	19	63.7 Å²	63.7	10%	0.102	37%	0.367	C	S	.	.			trans	-50.8	160.3	158.1	-175.6	26.4	0	0	0	111.7	I1614 D1621 D1622	I1614-D1619 HydrophobicContact CB-CB 3.97Å; I1614-D1619 HydrophobicContact CG2-CB 3.59Å; D1619-D1621 VanDerWaalsContact CG-N 3.35Å; D1619-D1621 PolarHBondContact OD1-N 3.29Å; D1619-D1621 PolarHBondContact OD2-N 2.66Å; D1619-D1621 VanDerWaalsContact OD2-O 3.05Å; D1619-D1622 WeakPolarHBondContact OD2-CA 3.41Å; D1619-D1622 PolarHBondContact OD2-N 2.91Å; D1619-D1622 VanDerWaalsContact OD2-N 3.11Å
1620	T	66.1	Low	64.9	Low	95 Å²	95	67.4 Å²	67.4	58%	0.583	38%	0.381	S	S	*	.	S	Bend	trans	-123.7	-1.1	176	37.8	0	0	0	0	113.3	P1628 D1629	T1620-P1628 CarbonylContact O-C 3.59Å; T1620-P1628 VanDerWaalsContact O-C 3.24Å; T1620-P1628 WeakPolarHBondContact O-CA 3.12Å; T1620-P1628 WeakPolarHBondContact O-CB 3.45Å; T1620-D1629 WeakPolarHBondContact O-CB 3.17Å; T1620-D1629 PolarHBondContact O-N 2.87Å
1621	D	74.9	Confident	64.4	Low	16 Å²	16	70.4 Å²	70.4	9%	0.086	39%	0.393	C	S	.	.			trans	-137.6	65.4	-177.8	-156.5	-45.8	0	0	0	109	D1619 D1623 N1624 D1625 G1626 I1627 P1628	D1619-D1621 VanDerWaalsContact CG-N 3.35Å; D1619-D1621 PolarHBondContact OD1-N 3.29Å; D1619-D1621 PolarHBondContact OD2-N 2.66Å; D1619-D1621 VanDerWaalsContact OD2-O 3.05Å; D1621-D1623 PolarHBondContact O-N 2.96Å; D1621-N1624 PolarHBondContact O-N 3.29Å; D1621-N1624 VanDerWaalsContact OD1-CA 3.27Å; D1621-N1624 WeakPolarHBondContact OD1-CA 3.42Å; D1621-N1624 PolarHBondContact OD1-N 3.11Å; D1621-D1625 PolarHBondContact OD1-N 2.68Å; D1621-D1625 VanDerWaalsContact OD1-N 3.09Å; D1621-G1626 VanDerWaalsContact OD2-C 3.27Å; D1621-I1627 VanDerWaalsContact OD2-C 3.25Å; D1621-I1627 PolarHBondContact OD2-N 3.07Å; D1621-I1627 VanDerWaalsContact OD2-N 3.1Å; D1621-P1628 WeakPolarHBondContact OD2-CD 3.46Å
1622	D	77.6	Confident	64.4	Low	33 Å²	33	68.8 Å²	68.8	18%	0.176	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	1.6	-164.6	-115.6	54.2	0	0	0	115	S1609 D1616 D1619	S1609-D1622 WeakPolarHBondContact CB-O 3.25Å; S1609-D1622 PolarHBondContact OG-O 3.01Å; S1609-D1622 VanDerWaalsContact OG-O 3.11Å; D1616-D1622 VanDerWaalsContact CA-OD1 3.29Å; D1616-D1622 WeakPolarHBondContact CA-OD1 3.34Å; D1619-D1622 WeakPolarHBondContact OD2-CA 3.41Å; D1619-D1622 PolarHBondContact OD2-N 2.91Å; D1619-D1622 VanDerWaalsContact OD2-N 3.11Å
1623	D	73.2	Confident	63.3	Low	96 Å²	96	69.8 Å²	69.8	51%	0.513	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139	16.5	163.3	43.5	6.2	0	0	0	116.1	D1621 D1625	D1621-D1623 PolarHBondContact O-N 2.96Å; D1623-D1625 VanDerWaalsContact C-N 3.31Å; D1623-D1625 PolarHBondContact O-N 3.45Å
1624	N	59.9	Low	63.2	Low	89 Å²	89	71.1 Å²	71.1	48%	0.476	40%	0.396	S	S	.	.			trans	49.2	42.9	173.4	-121.3	-45.9	0	0	0	114	D1610 D1612 D1621 G1626	D1610-N1624 HydrophobicContact CB-CB 3.87Å; D1610-N1624 PolarHBondContact OD2-ND2 2.87Å; D1612-N1624 PolarHBondContact OD2-ND2 3.18Å; D1621-N1624 PolarHBondContact O-N 3.29Å; D1621-N1624 VanDerWaalsContact OD1-CA 3.27Å; D1621-N1624 WeakPolarHBondContact OD1-CA 3.42Å; D1621-N1624 PolarHBondContact OD1-N 3.11Å; N1624-G1626 VanDerWaalsContact C-N 3.32Å
1625	D	73.7	Confident	63	Low	85 Å²	85	69.9 Å²	69.9	46%	0.455	39%	0.389	S	S	.	.	S	Bend	trans	-89.9	0.1	179.6	98.8	-28.7	0	0	0	113.2	D1621 D1623 I1627	D1621-D1625 PolarHBondContact OD1-N 2.68Å; D1621-D1625 VanDerWaalsContact OD1-N 3.09Å; D1623-D1625 VanDerWaalsContact C-N 3.31Å; D1623-D1625 PolarHBondContact O-N 3.45Å; D1625-I1627 VanDerWaalsContact C-N 3.32Å; D1625-I1627 WeakPolarHBondContact OD1-CA 3.39Å; D1625-I1627 WeakPolarHBondContact OD1-CB 3.5Å; D1625-I1627 VanDerWaalsContact OD1-CG1 3.28Å; D1625-I1627 WeakPolarHBondContact OD1-CG1 3.44Å; D1625-I1627 PolarHBondContact OD1-N 3.28Å
1626	G	65.2	Low	62.5	Low	63 Å²	63	74.7 Å²	74.7	65%	0.649	42%	0.42	S	S	*	.	S	Bend	trans	86.5	1.2	-177	0	0	0	0	0	113.2	D1621 N1624	D1621-G1626 VanDerWaalsContact OD2-C 3.27Å; N1624-G1626 VanDerWaalsContact C-N 3.32Å
1627	I	56.9	Low	61.8	Low	64 Å²	64	77.2 Å²	77.2	33%	0.328	43%	0.434	S	S	.	.	S	Bend	trans	-118	101.3	177.6	-40.3	174.3	0	0	0	109.4	D1621 D1625 D1629 Q1631 D1632	D1621-I1627 VanDerWaalsContact OD2-C 3.25Å; D1621-I1627 PolarHBondContact OD2-N 3.07Å; D1621-I1627 VanDerWaalsContact OD2-N 3.1Å; D1625-I1627 VanDerWaalsContact C-N 3.32Å; D1625-I1627 WeakPolarHBondContact OD1-CA 3.39Å; D1625-I1627 WeakPolarHBondContact OD1-CB 3.5Å; D1625-I1627 VanDerWaalsContact OD1-CG1 3.28Å; D1625-I1627 WeakPolarHBondContact OD1-CG1 3.44Å; D1625-I1627 PolarHBondContact OD1-N 3.28Å; I1627-D1629 PolarHBondContact O-N 2.7Å; I1627-Q1631 VanDerWaalsContact CG2-C 3.43Å; I1627-Q1631 HydrophobicContact CG2-CB 3.79Å; I1627-D1632 HydrophobicContact CB-CB 4.3Å; I1627-D1632 HydrophobicContact CG2-CB 4.45Å; I1627-D1632 WeakPolarHBondContact O-CB 3.43Å
1628	P	64.8	Low	60.8	Low	44 Å²	44	77 Å²	77	29%	0.286	43%	0.431	S	S	.	.			trans	-48.1	136.2	-179	-34.8	36.8	0	0	0	114	T1620 D1621 L1630 Q1631 D1632	T1620-P1628 CarbonylContact O-C 3.59Å; T1620-P1628 VanDerWaalsContact O-C 3.24Å; T1620-P1628 WeakPolarHBondContact O-CA 3.12Å; T1620-P1628 WeakPolarHBondContact O-CB 3.45Å; D1621-P1628 WeakPolarHBondContact OD2-CD 3.46Å; P1628-L1630 CarbonylContact O-C 3.39Å; P1628-L1630 PolarHBondContact O-N 2.59Å; P1628-Q1631 CarbonylContact O-C 3.6Å; P1628-Q1631 VanDerWaalsContact O-CA 3.25Å; P1628-Q1631 WeakPolarHBondContact O-CA 3.35Å; P1628-Q1631 VanDerWaalsContact O-CB 3.27Å; P1628-Q1631 WeakPolarHBondContact O-CB 3.47Å; P1628-Q1631 PolarHBondContact O-N 2.91Å; P1628-D1632 PolarHBondContact O-N 2.83Å
1629	D	63.7	Low	59.9	Low	42 Å²	42	77.6 Å²	77.6	23%	0.225	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-25.9	-25	172.3	-171	42.7	0	0	0	118	T1620 I1627 H1635	T1620-D1629 WeakPolarHBondContact O-CB 3.17Å; T1620-D1629 PolarHBondContact O-N 2.87Å; I1627-D1629 PolarHBondContact O-N 2.7Å; D1629-H1635 PolarHBondContact O-CE1 3.37Å; D1629-H1635 PolarHBondContact O-ND1 3.3Å; D1629-H1635 IonicContact OD1-CE1 3.86Å; D1629-H1635 PolarHBondContact OD1-CE1 2.82Å; D1629-H1635 IonicContact OD1-CG 2.68Å; D1629-H1635 IonicContact OD1-ND1 2.64Å; D1629-H1635 PolarHBondContact OD1-ND1 2.85Å; D1629-H1635 IonicContact OD1-NE2 2.71Å
1630	L	56.7	Low	59.2	Low	139 Å²	139	84.2 Å²	84.2	73%	0.728	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-3.4	175.8	-62.6	175	0	0	0	114.4	P1628	P1628-L1630 CarbonylContact O-C 3.39Å; P1628-L1630 PolarHBondContact O-N 2.59Å
1631	Q	53.3	Low	58.4	Low	118 Å²	118	85.8 Å²	85.8	55%	0.551	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.6	-27.3	-167.4	-78.6	142.2	-122.1	0	0	112.5	I1627 P1628 P1633 F1638	I1627-Q1631 VanDerWaalsContact CG2-C 3.43Å; I1627-Q1631 HydrophobicContact CG2-CB 3.79Å; P1628-Q1631 CarbonylContact O-C 3.6Å; P1628-Q1631 VanDerWaalsContact O-CA 3.25Å; P1628-Q1631 WeakPolarHBondContact O-CA 3.35Å; P1628-Q1631 VanDerWaalsContact O-CB 3.27Å; P1628-Q1631 WeakPolarHBondContact O-CB 3.47Å; P1628-Q1631 PolarHBondContact O-N 2.91Å; Q1631-P1633 WeakPolarHBondContact O-CD 3.47Å; Q1631-F1638 VanDerWaalsContact O-CE2 3.24Å; Q1631-F1638 WeakPolarHBondContact O-CE2 3.5Å; Q1631-F1638 WeakPolarHBondContact O-CZ 3.36Å
1632	D	57.6	Low	57.4	Low	5 Å²	5	92.3 Å²	92.3	3%	0.027	49%	0.488	C	S	.	.			trans	-53.9	124.7	173.1	165.8	23.7	0	0	0	112.4	I1627 P1628 D1634 H1635 F1638	I1627-D1632 HydrophobicContact CB-CB 4.3Å; I1627-D1632 HydrophobicContact CG2-CB 4.45Å; I1627-D1632 WeakPolarHBondContact O-CB 3.43Å; P1628-D1632 PolarHBondContact O-N 2.83Å; D1632-D1634 PolarHBondContact OD1-N 2.82Å; D1632-H1635 HydrophobicContact CB-CB 4.15Å; D1632-H1635 WeakPolarHBondContact OD2-CA 3.42Å; D1632-H1635 WeakPolarHBondContact OD2-CB 3.4Å; D1632-H1635 PolarHBondContact OD2-N 3.47Å; D1632-F1638 WeakPolarHBondContact O-CB 3.48Å; D1632-F1638 WeakPolarHBondContact O-CD2 3.14Å; D1632-F1638 WeakPolarHBondContact O-CG 3.46Å
1633	P	50.5	Low	56.8	Low	80 Å²	80	92.8 Å²	92.8	52%	0.519	49%	0.491	S	S	.	.	S	Bend	trans	-61.5	-34.6	173.3	-24	35.7	0	0	0	118.1	Q1631 F1638	Q1631-P1633 WeakPolarHBondContact O-CD 3.47Å; P1633-F1638 HydrophobicContact CB-CD1 4.45Å
1634	D	52.5	Low	56.5	Low	152 Å²	152	89.7 Å²	89.7	81%	0.813	48%	0.477	S	S	*	.	S	Bend	trans	-97.5	-15.6	-171.4	-104	-33.8	0	0	0	113.6	D1632 P1636	D1632-D1634 PolarHBondContact OD1-N 2.82Å; D1634-P1636 WeakPolarHBondContact O-CD 3.25Å
1635	H	57.9	Low	56.6	Low	43 Å²	43	87.8 Å²	87.8	20%	0.199	47%	0.466	C	S	.	.	S	Bend	trans	-51.7	124.7	172.1	161.1	-152.8	0	0	0	108.1	D1629 D1632 N1637 F1638	D1629-H1635 PolarHBondContact O-CE1 3.37Å; D1629-H1635 PolarHBondContact O-ND1 3.3Å; D1629-H1635 IonicContact OD1-CE1 3.86Å; D1629-H1635 PolarHBondContact OD1-CE1 2.82Å; D1629-H1635 IonicContact OD1-CG 2.68Å; D1629-H1635 IonicContact OD1-ND1 2.64Å; D1629-H1635 PolarHBondContact OD1-ND1 2.85Å; D1629-H1635 IonicContact OD1-NE2 2.71Å; D1632-H1635 HydrophobicContact CB-CB 4.15Å; D1632-H1635 WeakPolarHBondContact OD2-CA 3.42Å; D1632-H1635 WeakPolarHBondContact OD2-CB 3.4Å; D1632-H1635 PolarHBondContact OD2-N 3.47Å; H1635-N1637 PolarHBondContact NE2-ND2 3.05Å; H1635-N1637 VanDerWaalsContact NE2-ND2 3.11Å; H1635-N1637 PolarHBondContact O-N 2.89Å; H1635-F1638 PolarHBondContact O-N 3.3Å
1636	P	49.7	Very low	56.1	Low	121 Å²	121	94.4 Å²	94.4	79%	0.786	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	12.5	-168.8	14.3	-32.3	0	0	0	119.3	D1634	D1634-P1636 WeakPolarHBondContact O-CD 3.25Å
1637	N	50.9	Low	56.4	Low	103 Å²	103	95.8 Å²	95.8	55%	0.551	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-12.4	170.1	-66.1	-72.3	0	0	0	116	H1635 D1639	H1635-N1637 PolarHBondContact NE2-ND2 3.05Å; H1635-N1637 VanDerWaalsContact NE2-ND2 3.11Å; H1635-N1637 PolarHBondContact O-N 2.89Å; N1637-D1639 PolarHBondContact O-N 3.17Å
1638	F	45	Very low	57	Low	94 Å²	94	95.3 Å²	95.3	41%	0.412	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-60	-44.3	-165	-168.6	-109.7	0	0	0	115.6	Q1631 D1632 P1633 H1635 Y1640 L1641	Q1631-F1638 VanDerWaalsContact O-CE2 3.24Å; Q1631-F1638 WeakPolarHBondContact O-CE2 3.5Å; Q1631-F1638 WeakPolarHBondContact O-CZ 3.36Å; D1632-F1638 WeakPolarHBondContact O-CB 3.48Å; D1632-F1638 WeakPolarHBondContact O-CD2 3.14Å; D1632-F1638 WeakPolarHBondContact O-CG 3.46Å; P1633-F1638 HydrophobicContact CB-CD1 4.45Å; H1635-F1638 PolarHBondContact O-N 3.3Å; F1638-Y1640 PolarHBondContact O-N 2.96Å; F1638-L1641 PolarHBondContact O-N 2.92Å
1639	D	45.8	Very low	57.2	Low	128 Å²	128	95.9 Å²	95.9	68%	0.684	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-64.1	26.4	-176.4	-172.4	39.8	0	0	0	115.5	N1637	N1637-D1639 PolarHBondContact O-N 3.17Å
1640	Y	46.6	Very low	57.4	Low	158 Å²	158	95 Å²	95	62%	0.62	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-141.3	-0.7	-174.6	-68.3	-77.8	0	0	0	116.7	F1638	F1638-Y1640 PolarHBondContact O-N 2.96Å
1641	L	50.5	Low	57.9	Low	128 Å²	128	89.5 Å²	89.5	67%	0.67	46%	0.456	S	S	*	.			trans	-128.6	-2.1	-167.8	-70.7	177.8	0	0	0	119.1	F1638 D1643 P1650	F1638-L1641 PolarHBondContact O-N 2.92Å; L1641-D1643 PolarHBondContact O-N 2.93Å; L1641-P1650 HydrophobicContact CD2-CG 4.39Å
1642	R	52.9	Low	58.4	Low	153 Å²	153	88.7 Å²	88.7	58%	0.577	46%	0.46	S	S	*	.			trans	-56.2	126	171.6	-158.6	-179.5	-172.1	-97.7	6	110.2	S1644 P1650 D1651 D1671	R1642-S1644 PolarHBondContact NH1-OG 2.83Å; R1642-P1650 CarbonylContact O-C 3.35Å; R1642-P1650 WeakPolarHBondContact O-CA 3.39Å; R1642-P1650 VanDerWaalsContact O-CB 3.23Å; R1642-P1650 WeakPolarHBondContact O-CB 3.39Å; R1642-D1651 WeakPolarHBondContact CD-OD2 3.39Å; R1642-D1651 VanDerWaalsContact CG-OD2 3.26Å; R1642-D1651 WeakPolarHBondContact CG-OD2 3.28Å; R1642-D1651 IonicContact CZ-OD2 3.28Å; R1642-D1651 IonicContact NH1-OD2 3.14Å; R1642-D1651 PolarHBondContact NH1-OD2 2.67Å; R1642-D1651 PolarHBondContact O-N 3.38Å; R1642-D1671 IonicContact NH2-OD2 2.65Å; R1642-D1671 PolarHBondContact NH2-OD2 2.9Å
1643	D	64.9	Low	58.8	Low	44 Å²	44	94.9 Å²	94.9	24%	0.235	49%	0.492	C	S	.	.			trans	-143.5	77.7	-167.7	-174.9	-21.6	0	0	0	107.3	L1641 R1646 D1647 G1648 I1649 D1651	L1641-D1643 PolarHBondContact O-N 2.93Å; D1643-R1646 WeakPolarHBondContact O-CG 3.38Å; D1643-R1646 PolarHBondContact O-N 2.98Å; D1643-R1646 VanDerWaalsContact OD1-CA 3.24Å; D1643-R1646 WeakPolarHBondContact OD1-CA 3.46Å; D1643-R1646 PolarHBondContact OD1-N 3.05Å; D1643-D1647 PolarHBondContact OD1-N 3.2Å; D1643-G1648 PolarHBondContact OD1-N 3.31Å; D1643-G1648 VanDerWaalsContact OD2-C 3.29Å; D1643-G1648 WeakPolarHBondContact OD2-CA 3.21Å; D1643-G1648 PolarHBondContact OD2-N 3.04Å; D1643-I1649 PolarHBondContact OD1-N 3.37Å; D1643-I1649 PolarHBondContact OD2-N 2.96Å; D1643-I1649 VanDerWaalsContact OD2-N 3.17Å; D1643-D1651 WeakPolarHBondContact CA-OD1 3.29Å; D1643-D1651 PolarHBondContact N-OD1 2.86Å
1644	S	67.8	Low	59.5	Low	31 Å²	31	93.6 Å²	93.6	22%	0.217	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-43.3	-160.2	-58.6	0	0	0	0	113.1	R1642 R1646 D1651 D1657	R1642-S1644 PolarHBondContact NH1-OG 2.83Å; S1644-R1646 VanDerWaalsContact C-N 3.26Å; S1644-R1646 PolarHBondContact O-N 3.09Å; S1644-D1651 WeakPolarHBondContact CB-OD1 3.2Å; S1644-D1651 PolarHBondContact N-OD1 3.15Å; S1644-D1651 VanDerWaalsContact OG-CG 3.28Å; S1644-D1651 PolarHBondContact OG-OD1 2.85Å; S1644-D1651 PolarHBondContact OG-OD2 3.48Å; S1644-D1657 WeakPolarHBondContact CB-O 3.49Å
1645	D	61.9	Low	60.3	Low	48 Å²	48	92.7 Å²	92.7	26%	0.257	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-12.3	172.4	90.7	-32	0	0	0	114.7	D1647 D1657 D1658 N1659	D1645-D1647 VanDerWaalsContact C-N 3.32Å; D1645-D1647 PolarHBondContact O-N 3.1Å; D1645-D1647 VanDerWaalsContact OD1-CB 3.23Å; D1645-D1647 WeakPolarHBondContact OD1-CB 3.5Å; D1645-D1647 PolarHBondContact OD1-N 2.91Å; D1645-D1647 WeakPolarHBondContact OD2-CB 3.48Å; D1645-D1657 PolarHBondContact N-O 3.37Å; D1645-D1657 VanDerWaalsContact N-O 3.09Å; D1645-D1658 VanDerWaalsContact CB-C 3.46Å; D1645-D1658 WeakPolarHBondContact CB-O 3.48Å; D1645-N1659 HydrophobicContact CB-CB 4.13Å; D1645-N1659 VanDerWaalsContact OD2-CB 3.24Å; D1645-N1659 WeakPolarHBondContact OD2-CB 3.49Å; D1645-N1659 PolarHBondContact OD2-ND2 2.99Å
1646	R	63.6	Low	61.2	Low	225 Å²	225	91.7 Å²	91.7	85%	0.849	47%	0.469	S	S	*	.			trans	58.9	30.8	-175.7	-52.5	179.2	-179.9	-170	-2.6	114.1	D1643 S1644 G1648	D1643-R1646 WeakPolarHBondContact O-CG 3.38Å; D1643-R1646 PolarHBondContact O-N 2.98Å; D1643-R1646 VanDerWaalsContact OD1-CA 3.24Å; D1643-R1646 WeakPolarHBondContact OD1-CA 3.46Å; D1643-R1646 PolarHBondContact OD1-N 3.05Å; S1644-R1646 VanDerWaalsContact C-N 3.26Å; S1644-R1646 PolarHBondContact O-N 3.09Å; R1646-G1648 VanDerWaalsContact C-N 3.26Å; R1646-G1648 PolarHBondContact O-N 3.47Å
1647	D	71.2	Confident	62.6	Low	91 Å²	91	87.5 Å²	87.5	49%	0.487	44%	0.44	S	S	.	.	S	Bend	trans	-66.7	-27.5	170.9	179	-86.3	0	0	0	111.8	D1643 D1645 I1649	D1643-D1647 PolarHBondContact OD1-N 3.2Å; D1645-D1647 VanDerWaalsContact C-N 3.32Å; D1645-D1647 PolarHBondContact O-N 3.1Å; D1645-D1647 VanDerWaalsContact OD1-CB 3.23Å; D1645-D1647 WeakPolarHBondContact OD1-CB 3.5Å; D1645-D1647 PolarHBondContact OD1-N 2.91Å; D1645-D1647 WeakPolarHBondContact OD2-CB 3.48Å; D1647-I1649 WeakPolarHBondContact OD1-CD1 3.22Å
1648	G	69.5	Low	63.6	Low	54 Å²	54	84.6 Å²	84.6	56%	0.557	43%	0.425	S	S	*	.	S	Bend	trans	101.9	27.6	-168.7	0	0	0	0	0	112.9	D1643 R1646	D1643-G1648 PolarHBondContact OD1-N 3.31Å; D1643-G1648 VanDerWaalsContact OD2-C 3.29Å; D1643-G1648 WeakPolarHBondContact OD2-CA 3.21Å; D1643-G1648 PolarHBondContact OD2-N 3.04Å; R1646-G1648 VanDerWaalsContact C-N 3.26Å; R1646-G1648 PolarHBondContact O-N 3.47Å
1649	I	68.3	Low	64.6	Low	57 Å²	57	82 Å²	82	29%	0.292	42%	0.415	S	S	.	.			trans	-132.8	110.6	175.9	-61.3	175.7	0	0	0	106.7	D1643 D1647 L1653 D1654	D1643-I1649 PolarHBondContact OD1-N 3.37Å; D1643-I1649 PolarHBondContact OD2-N 2.96Å; D1643-I1649 VanDerWaalsContact OD2-N 3.17Å; D1647-I1649 WeakPolarHBondContact OD1-CD1 3.22Å; I1649-L1653 HydrophobicContact CG2-CB 3.95Å; I1649-D1654 WeakPolarHBondContact CD1-OD2 3.14Å; I1649-D1654 HydrophobicContact CG2-CB 3.94Å
1650	P	67.6	Low	65.9	Low	23 Å²	23	80.9 Å²	80.9	15%	0.149	41%	0.409	C	S	.	.			trans	-59.8	144.2	177.4	-27.4	36	0	0	0	112.7	L1641 R1642 T1652 L1653 D1654	L1641-P1650 HydrophobicContact CD2-CG 4.39Å; R1642-P1650 CarbonylContact O-C 3.35Å; R1642-P1650 WeakPolarHBondContact O-CA 3.39Å; R1642-P1650 VanDerWaalsContact O-CB 3.23Å; R1642-P1650 WeakPolarHBondContact O-CB 3.39Å; P1650-T1652 PolarHBondContact O-N 2.87Å; P1650-L1653 WeakPolarHBondContact O-CA 3.47Å; P1650-L1653 WeakPolarHBondContact O-CB 3.38Å; P1650-L1653 PolarHBondContact O-N 2.86Å; P1650-D1654 PolarHBondContact O-N 3.35Å
1651	D	68.5	Low	67	Low	23 Å²	23	75.6 Å²	75.6	12%	0.123	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-43.5	-41.2	-178	-53.8	-6.6	0	0	0	111.8	R1642 D1643 S1644 L1653 D1654	R1642-D1651 WeakPolarHBondContact CD-OD2 3.39Å; R1642-D1651 VanDerWaalsContact CG-OD2 3.26Å; R1642-D1651 WeakPolarHBondContact CG-OD2 3.28Å; R1642-D1651 IonicContact CZ-OD2 3.28Å; R1642-D1651 IonicContact NH1-OD2 3.14Å; R1642-D1651 PolarHBondContact NH1-OD2 2.67Å; R1642-D1651 PolarHBondContact O-N 3.38Å; D1643-D1651 WeakPolarHBondContact CA-OD1 3.29Å; D1643-D1651 PolarHBondContact N-OD1 2.86Å; S1644-D1651 WeakPolarHBondContact CB-OD1 3.2Å; S1644-D1651 PolarHBondContact N-OD1 3.15Å; S1644-D1651 VanDerWaalsContact OG-CG 3.28Å; S1644-D1651 PolarHBondContact OG-OD1 2.85Å; S1644-D1651 PolarHBondContact OG-OD2 3.48Å; D1651-L1653 PolarHBondContact O-N 2.77Å; D1651-D1654 PolarHBondContact O-N 2.89Å
1652	T	63.2	Low	67.7	Low	102 Å²	102	72.8 Å²	72.8	63%	0.626	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-59.1	-7.6	177.3	70.2	0	0	0	0	115.4	P1650	P1650-T1652 PolarHBondContact O-N 2.87Å
1653	L	65.9	Low	68.7	Low	135 Å²	135	67.8 Å²	67.8	71%	0.707	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-129.9	-11.3	-176.8	-66.2	178	0	0	0	115.5	I1649 P1650 D1651	I1649-L1653 HydrophobicContact CG2-CB 3.95Å; P1650-L1653 WeakPolarHBondContact O-CA 3.47Å; P1650-L1653 WeakPolarHBondContact O-CB 3.38Å; P1650-L1653 PolarHBondContact O-N 2.86Å; D1651-L1653 PolarHBondContact O-N 2.77Å
1654	D	65.8	Low	68.9	Low	53 Å²	53	68.4 Å²	68.4	28%	0.283	38%	0.378	S	S	.	.			trans	-93.5	-169	166.7	-135.2	-58.1	0	0	0	112.1	I1649 P1650 D1651	I1649-D1654 WeakPolarHBondContact CD1-OD2 3.14Å; I1649-D1654 HydrophobicContact CG2-CB 3.94Å; P1650-D1654 PolarHBondContact O-N 3.35Å; D1651-D1654 PolarHBondContact O-N 2.89Å
1655	M	69.4	Low	68.7	Low	132 Å²	132	71.3 Å²	71.3	65%	0.65	40%	0.399	S	S	*	.	S	Bend	trans	-159.7	38.4	-177.8	-57.8	-169.8	67	0	0	110	P1663 D1664	M1655-P1663 WeakPolarHBondContact O-CA 3.37Å; M1655-P1663 WeakPolarHBondContact O-CB 3.24Å; M1655-D1664 VanDerWaalsContact CA-OD1 3.23Å; M1655-D1664 WeakPolarHBondContact CA-OD1 3.19Å
1656	D	76	Confident	68.6	Low	22 Å²	22	76.1 Å²	76.1	12%	0.118	42%	0.421	C	S	.	.	S	Bend	trans	-178.9	53.1	-164	-118.5	-5.1	0	0	0	102.2	D1658 N1659 G1661 I1662 D1664	D1656-D1658 PolarHBondContact O-N 2.88Å; D1656-D1658 VanDerWaalsContact O-N 3.14Å; D1656-N1659 WeakPolarHBondContact O-CA 3.45Å; D1656-N1659 PolarHBondContact O-N 2.69Å; D1656-G1661 VanDerWaalsContact OD1-C 3.24Å; D1656-G1661 WeakPolarHBondContact OD1-CA 3.3Å; D1656-G1661 PolarHBondContact OD1-N 3.24Å; D1656-I1662 PolarHBondContact OD1-N 3.12Å; D1656-D1664 PolarHBondContact N-OD1 3.15Å
1657	D	79.3	Confident	68.5	Low	34 Å²	34	67.4 Å²	67.4	18%	0.182	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.2	-157.8	-66.5	-6.9	0	0	0	113.8	S1644 D1645	S1644-D1657 WeakPolarHBondContact CB-O 3.49Å; D1645-D1657 PolarHBondContact N-O 3.37Å; D1645-D1657 VanDerWaalsContact N-O 3.09Å
1658	D	72.2	Confident	68	Low	41 Å²	41	70.3 Å²	70.3	22%	0.219	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-10.9	168.5	77.9	-38.8	0	0	0	114.1	D1645 D1656 D1660	D1645-D1658 VanDerWaalsContact CB-C 3.46Å; D1645-D1658 WeakPolarHBondContact CB-O 3.48Å; D1656-D1658 PolarHBondContact O-N 2.88Å; D1656-D1658 VanDerWaalsContact O-N 3.14Å; D1658-D1660 VanDerWaalsContact CG-N 3.32Å; D1658-D1660 PolarHBondContact O-N 2.78Å; D1658-D1660 PolarHBondContact OD1-N 2.72Å; D1658-D1660 WeakPolarHBondContact OD2-CB 2.97Å; D1658-D1660 PolarHBondContact OD2-N 3.3Å; D1658-D1660 VanDerWaalsContact OD2-N 3.15Å
1659	N	66.2	Low	67.8	Low	40 Å²	40	69.2 Å²	69.2	21%	0.214	38%	0.382	C	S	.	.			trans	59.1	23.8	-170.4	-118.3	-76.8	0	0	0	117.6	D1645 D1656 G1661	D1645-N1659 HydrophobicContact CB-CB 4.13Å; D1645-N1659 VanDerWaalsContact OD2-CB 3.24Å; D1645-N1659 WeakPolarHBondContact OD2-CB 3.49Å; D1645-N1659 PolarHBondContact OD2-ND2 2.99Å; D1656-N1659 WeakPolarHBondContact O-CA 3.45Å; D1656-N1659 PolarHBondContact O-N 2.69Å; N1659-G1661 PolarHBondContact O-N 3.44Å
1660	D	71.7	Confident	67.5	Low	105 Å²	105	69.1 Å²	69.1	56%	0.561	39%	0.386	S	S	*	.	S	Bend	trans	-51.6	-47.6	168	158	-83.1	0	0	0	110.6	D1658 I1662	D1658-D1660 VanDerWaalsContact CG-N 3.32Å; D1658-D1660 PolarHBondContact O-N 2.78Å; D1658-D1660 PolarHBondContact OD1-N 2.72Å; D1658-D1660 WeakPolarHBondContact OD2-CB 2.97Å; D1658-D1660 PolarHBondContact OD2-N 3.3Å; D1658-D1660 VanDerWaalsContact OD2-N 3.15Å; D1660-I1662 WeakPolarHBondContact OD1-CD1 3.33Å; D1660-I1662 WeakPolarHBondContact OD1-CG1 3.02Å; D1660-I1662 PolarHBondContact OD1-N 3.48Å
1661	G	71.1	Confident	67.5	Low	47 Å²	47	71.2 Å²	71.2	49%	0.485	40%	0.396	S	S	.	.	S	Bend	trans	118	5.1	-170.6	0	0	0	0	0	115.1	D1656 N1659	D1656-G1661 VanDerWaalsContact OD1-C 3.24Å; D1656-G1661 WeakPolarHBondContact OD1-CA 3.3Å; D1656-G1661 PolarHBondContact OD1-N 3.24Å; N1659-G1661 PolarHBondContact O-N 3.44Å
1662	I	65.3	Low	67.1	Low	68 Å²	68	71.9 Å²	71.9	35%	0.349	41%	0.408	S	S	.	.	S	Bend	trans	-102.2	115.2	164.9	-64.6	160.9	0	0	0	108.2	D1656 D1660 D1664 M1666 D1667	D1656-I1662 PolarHBondContact OD1-N 3.12Å; D1660-I1662 WeakPolarHBondContact OD1-CD1 3.33Å; D1660-I1662 WeakPolarHBondContact OD1-CG1 3.02Å; D1660-I1662 PolarHBondContact OD1-N 3.48Å; I1662-D1664 PolarHBondContact O-N 2.77Å; I1662-M1666 HydrophobicContact CG2-CB 3.88Å; I1662-D1667 WeakPolarHBondContact CB-OD2 2.99Å; I1662-D1667 WeakPolarHBondContact CD1-OD2 3.35Å; I1662-D1667 HydrophobicContact CG2-CB 3.9Å; I1662-D1667 WeakPolarHBondContact CG2-OD2 3.27Å
1663	P	73	Confident	67.2	Low	49 Å²	49	72 Å²	72	32%	0.318	41%	0.405	S	S	.	.			trans	-67.9	104.9	177.3	-25.1	36.8	0	0	0	111.8	M1655 S1665 M1666	M1655-P1663 WeakPolarHBondContact O-CA 3.37Å; M1655-P1663 WeakPolarHBondContact O-CB 3.24Å; P1663-S1665 CarbonylContact O-C 3.34Å; P1663-S1665 VanDerWaalsContact O-CA 3.29Å; P1663-S1665 WeakPolarHBondContact O-CA 2.88Å; P1663-S1665 PolarHBondContact O-N 3.16Å; P1663-S1665 PolarHBondContact O-OG 2.86Å; P1663-M1666 PolarHBondContact O-N 3.19Å
1664	D	69.2	Low	66.6	Low	57 Å²	57	68.8 Å²	68.8	31%	0.305	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	18.8	-63.7	155.8	50.1	-85.2	0	0	0	115.6	M1655 D1656 I1662 M1666 D1667	M1655-D1664 VanDerWaalsContact CA-OD1 3.23Å; M1655-D1664 WeakPolarHBondContact CA-OD1 3.19Å; D1656-D1664 PolarHBondContact N-OD1 3.15Å; I1662-D1664 PolarHBondContact O-N 2.77Å; D1664-M1666 PolarHBondContact O-N 2.99Å; D1664-D1667 PolarHBondContact O-N 2.89Å; D1664-D1667 VanDerWaalsContact O-N 3.12Å
1665	S	63.8	Low	65.9	Low	92 Å²	92	67 Å²	67	64%	0.643	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-44.6	-2.9	162.4	73.1	0	0	0	0	118.5	P1663	P1663-S1665 CarbonylContact O-C 3.34Å; P1663-S1665 VanDerWaalsContact O-CA 3.29Å; P1663-S1665 WeakPolarHBondContact O-CA 2.88Å; P1663-S1665 PolarHBondContact O-N 3.16Å; P1663-S1665 PolarHBondContact O-OG 2.86Å
1666	M	59	Low	65	Low	149 Å²	149	66 Å²	66	73%	0.734	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-144.4	2	-178.2	-67.6	-160.8	175.8	0	0	114.9	I1662 P1663 D1664	I1662-M1666 HydrophobicContact CG2-CB 3.88Å; P1663-M1666 PolarHBondContact O-N 3.19Å; D1664-M1666 PolarHBondContact O-N 2.99Å
1667	D	61.5	Low	63.9	Low	42 Å²	42	70 Å²	70	23%	0.225	41%	0.414	C	S	.	.			trans	-99.8	175.9	173.7	-131.8	-58.6	0	0	0	113.1	I1662 D1664 D1669	I1662-D1667 WeakPolarHBondContact CB-OD2 2.99Å; I1662-D1667 WeakPolarHBondContact CD1-OD2 3.35Å; I1662-D1667 HydrophobicContact CG2-CB 3.9Å; I1662-D1667 WeakPolarHBondContact CG2-OD2 3.27Å; D1664-D1667 PolarHBondContact O-N 2.89Å; D1664-D1667 VanDerWaalsContact O-N 3.12Å; D1667-D1669 PolarHBondContact OD1-N 3.43Å
1668	F	60.7	Low	62.5	Low	152 Å²	152	74.7 Å²	74.7	67%	0.667	44%	0.439	S	S	*	.	S	Bend	trans	-131.3	-8.7	175.8	-68	-86.4	0	0	0	112.4	D1676 D1677	F1668-D1676 VanDerWaalsContact CB-OD1 3.28Å; F1668-D1676 WeakPolarHBondContact CB-OD1 2.9Å; F1668-D1676 WeakPolarHBondContact O-CA 3.42Å; F1668-D1677 PolarHBondContact O-N 2.91Å
1669	D	65.4	Low	61.4	Low	31 Å²	31	80.3 Å²	80.3	17%	0.166	46%	0.462	C	S	.	.	S	Bend	trans	-110.4	99.2	163.9	176.7	-12.7	0	0	0	104.7	D1667 G1672 D1673 G1674 S1675	D1667-D1669 PolarHBondContact OD1-N 3.43Å; D1669-G1672 WeakPolarHBondContact OD1-CA 2.93Å; D1669-G1672 PolarHBondContact OD1-N 2.9Å; D1669-D1673 PolarHBondContact OD1-N 2.61Å; D1669-G1674 VanDerWaalsContact OD2-C 3.32Å; D1669-G1674 WeakPolarHBondContact OD2-CA 2.91Å; D1669-G1674 PolarHBondContact OD2-N 2.83Å; D1669-G1674 VanDerWaalsContact OD2-N 3.16Å; D1669-S1675 WeakPolarHBondContact CA-O 3.44Å; D1669-S1675 WeakPolarHBondContact CB-O 3.17Å; D1669-S1675 PolarHBondContact OD2-N 3.01Å
1670	S	63.5	Low	60.8	Low	55 Å²	55	85.6 Å²	85.6	39%	0.385	49%	0.485	S	S	.	.	S	Bend	trans	-100.9	-11.5	-162.2	-60.9	0	0	0	0	115.7
1671	D	67.2	Low	60.5	Low	66 Å²	66	82.4 Å²	82.4	35%	0.353	47%	0.468	S	S	.	.	S	Bend	trans	-122.5	3.1	168.7	51.4	17.4	0	0	0	114.3	R1642	R1642-D1671 IonicContact NH2-OD2 2.65Å; R1642-D1671 PolarHBondContact NH2-OD2 2.9Å
1672	G	58.8	Low	60.3	Low	37 Å²	37	85.5 Å²	85.5	38%	0.381	47%	0.472	S	S	.	.			trans	84.4	25.6	165.8	0	0	0	0	0	114.5	D1669 G1674	D1669-G1672 WeakPolarHBondContact OD1-CA 2.93Å; D1669-G1672 PolarHBondContact OD1-N 2.9Å; G1672-G1674 PolarHBondContact O-N 2.9Å
1673	D	65.9	Low	60.3	Low	106 Å²	106	84 Å²	84	57%	0.567	47%	0.465	S	S	*	.	S	Bend	trans	-69.8	-20.4	177.3	85.8	-3.3	0	0	0	112.6	D1669 S1675	D1669-D1673 PolarHBondContact OD1-N 2.61Å; D1673-S1675 WeakPolarHBondContact OD1-CA 3.37Å; D1673-S1675 VanDerWaalsContact OD1-CB 3.28Å; D1673-S1675 WeakPolarHBondContact OD1-CB 3.32Å; D1673-S1675 PolarHBondContact OD1-N 2.98Å; D1673-S1675 PolarHBondContact OD1-OG 2.91Å
1674	G	54.3	Low	59.6	Low	66 Å²	66	89.7 Å²	89.7	68%	0.68	49%	0.485	S	S	*	.	S	Bend	trans	108.2	2.1	178.8	0	0	0	0	0	114.4	D1669 G1672	D1669-G1674 VanDerWaalsContact OD2-C 3.32Å; D1669-G1674 WeakPolarHBondContact OD2-CA 2.91Å; D1669-G1674 PolarHBondContact OD2-N 2.83Å; D1669-G1674 VanDerWaalsContact OD2-N 3.16Å; G1672-G1674 PolarHBondContact O-N 2.9Å
1675	S	50.1	Low	59.7	Low	16 Å²	16	91.9 Å²	91.9	11%	0.112	50%	0.497	C	S	.	.	S	Bend	trans	-115.9	150.3	-179.6	82.1	0	0	0	0	112.8	D1669 D1673 D1677 F1679	D1669-S1675 WeakPolarHBondContact CA-O 3.44Å; D1669-S1675 WeakPolarHBondContact CB-O 3.17Å; D1669-S1675 PolarHBondContact OD2-N 3.01Å; D1673-S1675 WeakPolarHBondContact OD1-CA 3.37Å; D1673-S1675 VanDerWaalsContact OD1-CB 3.28Å; D1673-S1675 WeakPolarHBondContact OD1-CB 3.32Å; D1673-S1675 PolarHBondContact OD1-N 2.98Å; D1673-S1675 PolarHBondContact OD1-OG 2.91Å; S1675-D1677 PolarHBondContact O-N 3.38Å; S1675-D1677 VanDerWaalsContact O-N 3.08Å; S1675-F1679 WeakPolarHBondContact CB-O 3.41Å; S1675-F1679 PolarHBondContact OG-O 3.38Å
1676	D	50.9	Low	59.8	Low	110 Å²	110	90.3 Å²	90.3	59%	0.588	50%	0.495	S	S	*	.	S	Bend	trans	-67.9	97	157.2	-76.8	-37.9	0	0	0	106.1	F1668 L1678	F1668-D1676 VanDerWaalsContact CB-OD1 3.28Å; F1668-D1676 WeakPolarHBondContact CB-OD1 2.9Å; F1668-D1676 WeakPolarHBondContact O-CA 3.42Å; D1676-L1678 WeakPolarHBondContact O-CA 3.24Å; D1676-L1678 WeakPolarHBondContact O-CB 3.19Å; D1676-L1678 VanDerWaalsContact O-CG 3.23Å; D1676-L1678 WeakPolarHBondContact O-CG 3.45Å; D1676-L1678 PolarHBondContact O-N 3.29Å
1677	D	53.7	Low	60.2	Low	106 Å²	106	85.1 Å²	85.1	57%	0.567	47%	0.471	S	S	*	.	S	Bend	trans	11.6	39.1	179.5	-51.9	-15.8	0	0	0	119.2	F1668 S1675	F1668-D1677 PolarHBondContact O-N 2.91Å; S1675-D1677 PolarHBondContact O-N 3.38Å; S1675-D1677 VanDerWaalsContact O-N 3.08Å
1678	L	49.9	Very low	60.3	Low	133 Å²	133	85.9 Å²	85.9	70%	0.696	48%	0.478	S	S	*	.	S	Bend	trans	-155.9	-9.3	-160.8	-66	168	0	0	0	117.1	D1676	D1676-L1678 WeakPolarHBondContact O-CA 3.24Å; D1676-L1678 WeakPolarHBondContact O-CB 3.19Å; D1676-L1678 VanDerWaalsContact O-CG 3.23Å; D1676-L1678 WeakPolarHBondContact O-CG 3.45Å; D1676-L1678 PolarHBondContact O-N 3.29Å
1679	F	48.5	Very low	60.6	Low	159 Å²	159	80 Å²	80	70%	0.697	45%	0.454	S	S	*	.			trans	-151.3	134.5	-174	-61.6	-77.7	0	0	0	113.7	S1675	S1675-F1679 WeakPolarHBondContact CB-O 3.41Å; S1675-F1679 PolarHBondContact OG-O 3.38Å
1680	Q	53.4	Low	60.5	Low	152 Å²	152	83.9 Å²	83.9	71%	0.71	48%	0.484	S	S	*	.			trans	-100.5	160.4	-165	-148.7	157.5	-14.1	0	0	115	P1688 D1689	Q1680-P1688 WeakPolarHBondContact O-CA 3.49Å; Q1680-P1688 WeakPolarHBondContact O-CB 3.47Å; Q1680-D1689 VanDerWaalsContact C-OD2 3.3Å; Q1680-D1689 PolarHBondContact O-N 3.07Å
1681	D	65.4	Low	60.5	Low	38 Å²	38	86.1 Å²	86.1	20%	0.203	50%	0.495	C	S	.	.			trans	-148.8	111.9	-180	-177.9	-44.3	0	0	0	108.3	K1684 G1686 V1687 D1689	D1681-K1684 WeakPolarHBondContact O-CE 3.03Å; D1681-K1684 WeakPolarHBondContact OD1-CA 3.19Å; D1681-K1684 PolarHBondContact OD1-N 3.48Å; D1681-G1686 WeakPolarHBondContact OD2-CA 3.3Å; D1681-V1687 VanDerWaalsContact OD2-C 3.26Å; D1681-V1687 PolarHBondContact OD2-N 3.32Å; D1681-D1689 WeakPolarHBondContact CA-OD2 3.37Å; D1681-D1689 PolarHBondContact N-OD2 3.21Å
1682	I	66	Low	60.4	Low	112 Å²	112	85 Å²	85	57%	0.574	49%	0.488	S	S	*	.	S	Bend	trans	-87.3	-47.8	-169.7	-71.8	165.9	0	0	0	112	K1684 D1689	I1682-K1684 VanDerWaalsContact O-CE 3.31Å; I1682-K1684 WeakPolarHBondContact O-CE 3.04Å; I1682-K1684 WeakPolarHBondContact O-CG 3.1Å; I1682-D1689 WeakPolarHBondContact CB-OD1 3.11Å; I1682-D1689 WeakPolarHBondContact CG1-OD2 2.94Å; I1682-D1689 PolarHBondContact N-OD1 2.97Å; I1682-D1689 PolarHBondContact N-OD2 2.74Å
1683	D	65.1	Low	60.8	Low	35 Å²	35	88.5 Å²	88.5	19%	0.187	50%	0.499	C	S	.	.	S	Bend	trans	-77.8	-31	-174	114.4	-66.4	0	0	0	113.5	D1685 M1695 N1697	D1683-D1685 VanDerWaalsContact OD1-CB 3.23Å; D1683-D1685 WeakPolarHBondContact OD1-CB 2.85Å; D1683-D1685 PolarHBondContact OD1-N 2.84Å; D1683-M1695 WeakPolarHBondContact CB-O 3.23Å; D1683-N1697 WeakPolarHBondContact OD2-CB 3.4Å; D1683-N1697 PolarHBondContact OD2-ND2 2.82Å
1684	K	58.9	Low	61.2	Low	169 Å²	169	84.9 Å²	84.9	74%	0.735	48%	0.479	S	S	*	.			trans	71.4	30.8	176.9	-37.4	-164.9	-176.5	-158.3	0	114.5	D1681 I1682 G1686	D1681-K1684 WeakPolarHBondContact O-CE 3.03Å; D1681-K1684 WeakPolarHBondContact OD1-CA 3.19Å; D1681-K1684 PolarHBondContact OD1-N 3.48Å; I1682-K1684 VanDerWaalsContact O-CE 3.31Å; I1682-K1684 WeakPolarHBondContact O-CE 3.04Å; I1682-K1684 WeakPolarHBondContact O-CG 3.1Å; K1684-G1686 VanDerWaalsContact C-N 3.28Å
1685	D	72.2	Confident	61.9	Low	104 Å²	104	85.2 Å²	85.2	56%	0.556	46%	0.464	S	S	*	.	S	Bend	trans	-62.5	-36.8	158.7	-176.1	-82.6	0	0	0	111	D1683	D1683-D1685 VanDerWaalsContact OD1-CB 3.23Å; D1683-D1685 WeakPolarHBondContact OD1-CB 2.85Å; D1683-D1685 PolarHBondContact OD1-N 2.84Å
1686	G	66.1	Low	63	Low	59 Å²	59	88.8 Å²	88.8	61%	0.608	48%	0.482	S	S	*	.	S	Bend	trans	105.1	39.1	-171.3	0	0	0	0	0	112.9	D1681 K1684	D1681-G1686 WeakPolarHBondContact OD2-CA 3.3Å; K1684-G1686 VanDerWaalsContact C-N 3.28Å
1687	V	66.4	Low	63.5	Low	40 Å²	40	87.8 Å²	87.8	24%	0.242	48%	0.476	C	S	.	.	S	Bend	trans	-135.3	109.3	172.3	-178.6	0	0	0	0	106.5	D1681 V1691 D1692	D1681-V1687 VanDerWaalsContact OD2-C 3.26Å; D1681-V1687 PolarHBondContact OD2-N 3.32Å; V1687-V1691 HydrophobicContact CG1-CB 3.99Å; V1687-D1692 HydrophobicContact CB-CB 4.03Å; V1687-D1692 WeakPolarHBondContact CB-OD2 3.46Å; V1687-D1692 HydrophobicContact CG1-CB 3.67Å
1688	P	64	Low	64.4	Low	57 Å²	57	87 Å²	87	37%	0.37	47%	0.472	S	S	.	.			trans	-57.1	144.6	-179.6	-27.3	35.8	0	0	0	112	Q1680 S1690 V1691	Q1680-P1688 WeakPolarHBondContact O-CA 3.49Å; Q1680-P1688 WeakPolarHBondContact O-CB 3.47Å; P1688-S1690 PolarHBondContact O-N 3.35Å; P1688-V1691 PolarHBondContact O-N 3.03Å
1689	D	67.3	Low	65.2	Low	30 Å²	30	83.3 Å²	83.3	16%	0.16	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-51.8	-36.1	-166.6	-50.3	-47.3	0	0	0	113.3	Q1680 D1681 I1682 V1691 M1695	Q1680-D1689 VanDerWaalsContact C-OD2 3.3Å; Q1680-D1689 PolarHBondContact O-N 3.07Å; D1681-D1689 WeakPolarHBondContact CA-OD2 3.37Å; D1681-D1689 PolarHBondContact N-OD2 3.21Å; I1682-D1689 WeakPolarHBondContact CB-OD1 3.11Å; I1682-D1689 WeakPolarHBondContact CG1-OD2 2.94Å; I1682-D1689 PolarHBondContact N-OD1 2.97Å; I1682-D1689 PolarHBondContact N-OD2 2.74Å; D1689-V1691 PolarHBondContact O-N 2.83Å; D1689-M1695 HydrophobicContact CB-SD 3.93Å; D1689-M1695 VanDerWaalsContact O-CE 3.23Å; D1689-M1695 WeakPolarHBondContact O-CE 3.29Å
1690	S	62.9	Low	65.7	Low	112 Å²	112	79.1 Å²	79.1	78%	0.783	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-58	-1.4	171.8	66	0	0	0	0	116.4	P1688	P1688-S1690 PolarHBondContact O-N 3.35Å
1691	V	64.5	Low	66.4	Low	101 Å²	101	74 Å²	74	61%	0.612	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-145.9	-1.7	-172.8	-138.3	0	0	0	0	116.1	V1687 P1688 D1689	V1687-V1691 HydrophobicContact CG1-CB 3.99Å; P1688-V1691 PolarHBondContact O-N 3.03Å; D1689-V1691 PolarHBondContact O-N 2.83Å
1692	D	64.3	Low	66.3	Low	42 Å²	42	74.4 Å²	74.4	23%	0.225	43%	0.433	C	S	.	.			trans	-94.7	162.6	170.6	-139.6	-29.7	0	0	0	112.4	V1687	V1687-D1692 HydrophobicContact CB-CB 4.03Å; V1687-D1692 WeakPolarHBondContact CB-OD2 3.46Å; V1687-D1692 HydrophobicContact CG1-CB 3.67Å
1693	D	67.2	Low	66.2	Low	111 Å²	111	72.5 Å²	72.5	59%	0.594	42%	0.421	S	S	*	.	S	Bend	trans	-113.7	-0	178.8	-63.6	-54.8	0	0	0	111.9	P1701 D1702	D1693-P1701 HydrophobicContact CB-CB 4.36Å; D1693-P1701 CarbonylContact O-C 2.91Å; D1693-P1701 WeakPolarHBondContact O-CA 3.01Å; D1693-P1701 WeakPolarHBondContact O-CB 3.35Å; D1693-D1702 VanDerWaalsContact C-OD2 3.26Å; D1693-D1702 PolarHBondContact O-N 3.24Å
1694	D	73.5	Confident	66.1	Low	30 Å²	30	75.9 Å²	75.9	16%	0.16	43%	0.434	C	S	.	.			trans	-147.5	52.9	-166.4	-158.7	-49.3	0	0	0	110.1	N1696 N1697 G1699 D1702	D1694-N1696 PolarHBondContact O-N 3.18Å; D1694-N1697 PolarHBondContact O-N 2.99Å; D1694-N1697 WeakPolarHBondContact OD1-CA 3.47Å; D1694-G1699 PolarHBondContact OD1-N 3.08Å; D1694-G1699 VanDerWaalsContact OD1-N 3.16Å; D1694-G1699 WeakPolarHBondContact OD2-CA 3.49Å; D1694-D1702 VanDerWaalsContact C-OD1 3.27Å; D1694-D1702 VanDerWaalsContact CA-OD1 3.31Å; D1694-D1702 WeakPolarHBondContact CA-OD1 3.29Å; D1694-D1702 PolarHBondContact N-OD2 2.77Å
1695	M	70.5	Confident	66.4	Low	73 Å²	73	68.9 Å²	68.9	36%	0.36	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	2.3	-167.3	-63.9	-168.8	-142.7	0	0	116.6	D1683 D1689 D1702	D1683-M1695 WeakPolarHBondContact CB-O 3.23Å; D1689-M1695 HydrophobicContact CB-SD 3.93Å; D1689-M1695 VanDerWaalsContact O-CE 3.23Å; D1689-M1695 WeakPolarHBondContact O-CE 3.29Å; M1695-D1702 WeakPolarHBondContact CG-OD2 3.34Å; M1695-D1702 VanDerWaalsContact N-CG 3.28Å; M1695-D1702 PolarHBondContact N-OD1 3.17Å; M1695-D1702 PolarHBondContact N-OD2 2.87Å
1696	N	72.1	Confident	66.2	Low	91 Å²	91	67.1 Å²	67.1	49%	0.487	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-0.5	168.6	73.4	25	0	0	0	114.1	D1694 D1698 Q1705	D1694-N1696 PolarHBondContact O-N 3.18Å; N1696-D1698 PolarHBondContact O-N 3.35Å; N1696-D1698 WeakPolarHBondContact OD1-CB 3.35Å; N1696-D1698 PolarHBondContact OD1-N 2.9Å; N1696-Q1705 PolarHBondContact ND2-NE2 3.44Å
1697	N	61.3	Low	66.2	Low	89 Å²	89	70 Å²	70	48%	0.476	39%	0.392	S	S	.	.			trans	54.5	24.8	-178.7	-133.5	-80.1	0	0	0	115.8	D1683 D1694 G1699	D1683-N1697 WeakPolarHBondContact OD2-CB 3.4Å; D1683-N1697 PolarHBondContact OD2-ND2 2.82Å; D1694-N1697 PolarHBondContact O-N 2.99Å; D1694-N1697 WeakPolarHBondContact OD1-CA 3.47Å; N1697-G1699 PolarHBondContact O-N 3.48Å
1698	D	73.3	Confident	66.1	Low	90 Å²	90	70.4 Å²	70.4	48%	0.481	39%	0.393	S	S	.	.	S	Bend	trans	-67.2	-25.7	173.9	95.1	27.5	0	0	0	111.8	N1696 I1700 Q1705	N1696-D1698 PolarHBondContact O-N 3.35Å; N1696-D1698 WeakPolarHBondContact OD1-CB 3.35Å; N1696-D1698 PolarHBondContact OD1-N 2.9Å; D1698-I1700 WeakPolarHBondContact OD1-CB 3.21Å; D1698-I1700 WeakPolarHBondContact OD1-CG1 3.31Å; D1698-I1700 PolarHBondContact OD1-N 3.12Å; D1698-Q1705 PolarHBondContact OD2-NE2 2.59Å
1699	G	67.4	Low	65.9	Low	56 Å²	56	72.4 Å²	72.4	58%	0.577	41%	0.407	S	S	*	.	S	Bend	trans	100	8.8	-177.6	0	0	0	0	0	115	D1694 N1697	D1694-G1699 PolarHBondContact OD1-N 3.08Å; D1694-G1699 VanDerWaalsContact OD1-N 3.16Å; D1694-G1699 WeakPolarHBondContact OD2-CA 3.49Å; N1697-G1699 PolarHBondContact O-N 3.48Å
1700	I	58.5	Low	66	Low	71 Å²	71	75.9 Å²	75.9	36%	0.364	43%	0.426	S	S	.	.	S	Bend	trans	-105	117.3	163	-61.5	172.4	0	0	0	106.8	D1698 D1702 K1704 Q1705	D1698-I1700 WeakPolarHBondContact OD1-CB 3.21Å; D1698-I1700 WeakPolarHBondContact OD1-CG1 3.31Å; D1698-I1700 PolarHBondContact OD1-N 3.12Å; I1700-D1702 PolarHBondContact O-N 2.87Å; I1700-K1704 HydrophobicContact CG2-CB 3.69Å; I1700-K1704 WeakPolarHBondContact CG2-O 3.2Å; I1700-Q1705 HydrophobicContact CG2-CG 4.24Å
1701	P	67.4	Low	66.2	Low	43 Å²	43	73 Å²	73	28%	0.279	41%	0.414	S	S	.	.			trans	-62.8	128.6	175.9	-26.4	37	0	0	0	111.3	D1693 H1703 K1704	D1693-P1701 HydrophobicContact CB-CB 4.36Å; D1693-P1701 CarbonylContact O-C 2.91Å; D1693-P1701 WeakPolarHBondContact O-CA 3.01Å; D1693-P1701 WeakPolarHBondContact O-CB 3.35Å; P1701-H1703 VanDerWaalsContact CB-CE1 3.49Å; P1701-H1703 WeakPolarHBondContact CB-CE1 3.4Å; P1701-H1703 CarbonylContact O-C 3.57Å; P1701-H1703 PolarHBondContact O-N 3.26Å; P1701-K1704 WeakPolarHBondContact O-CA 3.5Å; P1701-K1704 WeakPolarHBondContact O-CB 3.47Å; P1701-K1704 PolarHBondContact O-N 2.79Å
1702	D	63.3	Low	66.2	Low	47 Å²	47	71.2 Å²	71.2	25%	0.251	40%	0.4	S	S	.	.	S	Bend	trans	-41.3	-43.2	-164.8	-43.4	-42.8	0	0	0	114.1	D1693 D1694 M1695 I1700 K1704 Q1705	D1693-D1702 VanDerWaalsContact C-OD2 3.26Å; D1693-D1702 PolarHBondContact O-N 3.24Å; D1694-D1702 VanDerWaalsContact C-OD1 3.27Å; D1694-D1702 VanDerWaalsContact CA-OD1 3.31Å; D1694-D1702 WeakPolarHBondContact CA-OD1 3.29Å; D1694-D1702 PolarHBondContact N-OD2 2.77Å; M1695-D1702 WeakPolarHBondContact CG-OD2 3.34Å; M1695-D1702 VanDerWaalsContact N-CG 3.28Å; M1695-D1702 PolarHBondContact N-OD1 3.17Å; M1695-D1702 PolarHBondContact N-OD2 2.87Å; I1700-D1702 PolarHBondContact O-N 2.87Å; D1702-K1704 PolarHBondContact O-N 3.44Å; D1702-Q1705 PolarHBondContact O-N 3.33Å; D1702-Q1705 PolarHBondContact O-OE1 3.23Å
1703	H	64.5	Low	66.2	Low	72 Å²	72	71.2 Å²	71.2	33%	0.333	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	26.7	171.8	73.8	-75.4	0	0	0	115.5	P1701 I1715	P1701-H1703 VanDerWaalsContact CB-CE1 3.49Å; P1701-H1703 WeakPolarHBondContact CB-CE1 3.4Å; P1701-H1703 CarbonylContact O-C 3.57Å; P1701-H1703 PolarHBondContact O-N 3.26Å; H1703-I1715 HydrophobicContact CB-CD1 3.93Å; H1703-I1715 HydrophobicContact CB-CG2 4.04Å
1704	K	63.4	Low	66.2	Low	106 Å²	106	66.7 Å²	66.7	46%	0.461	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.7	9.6	-173	-58.8	-158.6	-178.4	-37.3	0	116.5	I1700 P1701 D1702	I1700-K1704 HydrophobicContact CG2-CB 3.69Å; I1700-K1704 WeakPolarHBondContact CG2-O 3.2Å; P1701-K1704 WeakPolarHBondContact O-CA 3.5Å; P1701-K1704 WeakPolarHBondContact O-CB 3.47Å; P1701-K1704 PolarHBondContact O-N 2.79Å; D1702-K1704 PolarHBondContact O-N 3.44Å
1705	Q	64.2	Low	65.7	Low	22 Å²	22	71 Å²	71	10%	0.103	40%	0.4	C	S	.	.			trans	-61.7	165.3	155.2	-82.8	103.2	2.9	0	0	109.2	N1696 D1698 I1700 D1702 P1713 D1714	N1696-Q1705 PolarHBondContact ND2-NE2 3.44Å; D1698-Q1705 PolarHBondContact OD2-NE2 2.59Å; I1700-Q1705 HydrophobicContact CG2-CG 4.24Å; D1702-Q1705 PolarHBondContact O-N 3.33Å; D1702-Q1705 PolarHBondContact O-OE1 3.23Å; Q1705-P1713 CarbonylContact O-C 2.95Å; Q1705-P1713 WeakPolarHBondContact O-CA 3.43Å; Q1705-P1713 WeakPolarHBondContact O-CB 3.38Å; Q1705-D1714 VanDerWaalsContact C-OD2 3.22Å; Q1705-D1714 WeakPolarHBondContact CA-OD2 3.41Å; Q1705-D1714 WeakPolarHBondContact CB-OD2 3.39Å; Q1705-D1714 PolarHBondContact O-N 3.43Å
1706	D	69.1	Low	65.4	Low	68 Å²	68	72.5 Å²	72.5	36%	0.364	41%	0.413	S	S	.	.			trans	-165.6	66.2	-157.8	-178.1	-29.8	0	0	0	102.7	C1709 D1714	D1706-C1709 WeakPolarHBondContact OD1-CA 3.24Å; D1706-D1714 WeakPolarHBondContact CA-OD1 3.18Å; D1706-D1714 PolarHBondContact N-OD1 3.15Å
1707	H	65.6	Low	64.9	Low	120 Å²	120	69.6 Å²	69.6	56%	0.556	40%	0.397	S	S	*	.	S	Bend	trans	-70.7	-50.6	-161.4	-86.7	97.6	0	0	0	112.8	C1709 D1714 D1720	H1707-C1709 VanDerWaalsContact C-N 3.31Å; H1707-C1709 PolarHBondContact O-N 2.81Å; H1707-D1714 IonicContact CE1-OD2 2.87Å; H1707-D1714 PolarHBondContact CE1-OD2 2.64Å; H1707-D1714 IonicContact CG-OD2 2.69Å; H1707-D1714 PolarHBondContact N-OD1 3.18Å; H1707-D1714 VanDerWaalsContact N-OD1 3.09Å; H1707-D1714 IonicContact ND1-OD1 2.82Å; H1707-D1714 IonicContact ND1-OD2 2.78Å; H1707-D1714 PolarHBondContact ND1-OD2 2.71Å; H1707-D1720 WeakPolarHBondContact CB-O 3.33Å
1708	D	63.4	Low	65.1	Low	47 Å²	47	68 Å²	68	25%	0.251	39%	0.392	S	S	.	.	S	Bend	trans	-63.5	-28.8	175.3	88.6	-43.2	0	0	0	114.8	D1710 D1720 D1721 N1722	D1708-D1710 PolarHBondContact OD1-N 3.44Å; D1708-D1710 WeakPolarHBondContact OD2-CB 3.21Å; D1708-D1710 PolarHBondContact OD2-N 2.93Å; D1708-D1720 WeakPolarHBondContact CB-O 3.33Å; D1708-D1720 PolarHBondContact N-O 3.17Å; D1708-D1721 VanDerWaalsContact CB-C 3.45Å; D1708-D1721 VanDerWaalsContact CB-O 3.29Å; D1708-D1721 WeakPolarHBondContact CB-O 3.17Å; D1708-N1722 HydrophobicContact CB-CB 4Å
1709	C	60.4	Low	64.8	Low	100 Å²	100	65.2 Å²	65.2	68%	0.676	38%	0.377	S	S	*	.	S	Bend	trans	70.6	27.6	-169.4	-63.7	0	0	0	0	118.3	D1706 H1707	D1706-C1709 WeakPolarHBondContact OD1-CA 3.24Å; H1707-C1709 VanDerWaalsContact C-N 3.31Å; H1707-C1709 PolarHBondContact O-N 2.81Å
1710	D	69.6	Low	64.9	Low	103 Å²	103	63.9 Å²	63.9	55%	0.551	36%	0.356	S	S	*	.	S	Bend	trans	-61.6	-47.9	163.7	158	-75.3	0	0	0	110.8	D1708 I1712	D1708-D1710 PolarHBondContact OD1-N 3.44Å; D1708-D1710 WeakPolarHBondContact OD2-CB 3.21Å; D1708-D1710 PolarHBondContact OD2-N 2.93Å; D1710-I1712 WeakPolarHBondContact OD1-CG1 3.08Å; D1710-I1712 PolarHBondContact OD1-N 3.17Å
1711	G	66.3	Low	65.3	Low	51 Å²	51	63.8 Å²	63.8	53%	0.526	36%	0.357	S	S	.	.	S	Bend	trans	111.5	10.9	-177.7	0	0	0	0	0	116.3
1712	I	64.4	Low	65	Low	64 Å²	64	66.3 Å²	66.3	33%	0.328	37%	0.368	S	S	.	.	S	Bend	trans	-72.4	152.5	144.2	-61.9	164	0	0	0	108.2	D1710 V1716 D1717	D1710-I1712 WeakPolarHBondContact OD1-CG1 3.08Å; D1710-I1712 PolarHBondContact OD1-N 3.17Å; I1712-V1716 HydrophobicContact CG2-CB 4.49Å; I1712-D1717 HydrophobicContact CB-CB 4.43Å; I1712-D1717 WeakPolarHBondContact CB-OD2 3.4Å; I1712-D1717 WeakPolarHBondContact CD1-OD2 3.37Å; I1712-D1717 HydrophobicContact CG2-CB 3.64Å; I1712-D1717 VanDerWaalsContact CG2-CG 3.47Å; I1712-D1717 VanDerWaalsContact CG2-N 3.35Å; I1712-D1717 VanDerWaalsContact CG2-OD2 3.26Å; I1712-D1717 WeakPolarHBondContact CG2-OD2 3.5Å
1713	P	66	Low	65.2	Low	41 Å²	41	66.1 Å²	66.1	27%	0.266	37%	0.367	S	S	.	.			trans	-111	123.9	175.5	33.9	-22	0	0	0	112.1	Q1705 I1715 V1716	Q1705-P1713 CarbonylContact O-C 2.95Å; Q1705-P1713 WeakPolarHBondContact O-CA 3.43Å; Q1705-P1713 WeakPolarHBondContact O-CB 3.38Å; P1713-I1715 PolarHBondContact O-N 2.93Å; P1713-V1716 HydrophobicContact CG-CG2 4.2Å; P1713-V1716 PolarHBondContact O-N 3.04Å
1714	D	66.5	Low	65.1	Low	16 Å²	16	65.2 Å²	65.2	9%	0.086	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-7.6	-69.7	-174.7	-59.3	8	0	0	0	116.5	Q1705 D1706 H1707 V1716 D1717 D1720	Q1705-D1714 VanDerWaalsContact C-OD2 3.22Å; Q1705-D1714 WeakPolarHBondContact CA-OD2 3.41Å; Q1705-D1714 WeakPolarHBondContact CB-OD2 3.39Å; Q1705-D1714 PolarHBondContact O-N 3.43Å; D1706-D1714 WeakPolarHBondContact CA-OD1 3.18Å; D1706-D1714 PolarHBondContact N-OD1 3.15Å; H1707-D1714 IonicContact CE1-OD2 2.87Å; H1707-D1714 PolarHBondContact CE1-OD2 2.64Å; H1707-D1714 IonicContact CG-OD2 2.69Å; H1707-D1714 PolarHBondContact N-OD1 3.18Å; H1707-D1714 VanDerWaalsContact N-OD1 3.09Å; H1707-D1714 IonicContact ND1-OD1 2.82Å; H1707-D1714 IonicContact ND1-OD2 2.78Å; H1707-D1714 PolarHBondContact ND1-OD2 2.71Å; D1714-V1716 PolarHBondContact O-N 3.27Å; D1714-D1717 PolarHBondContact O-N 3.41Å; D1714-D1720 WeakPolarHBondContact CA-OD1 3.31Å; D1714-D1720 VanDerWaalsContact CB-OD2 3.29Å; D1714-D1720 WeakPolarHBondContact CB-OD2 3.33Å; D1714-D1720 VanDerWaalsContact O-OD1 3.08Å
1715	I	61.9	Low	64.6	Low	122 Å²	122	64.3 Å²	64.3	63%	0.626	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-56.2	7.5	176.4	-153.8	172.4	0	0	0	116.8	H1703 P1713	H1703-I1715 HydrophobicContact CB-CD1 3.93Å; H1703-I1715 HydrophobicContact CB-CG2 4.04Å; P1713-I1715 PolarHBondContact O-N 2.93Å
1716	V	65.3	Low	64.4	Low	103 Å²	103	69.1 Å²	69.1	62%	0.624	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-144.9	-3.1	174.7	-147	0	0	0	0	113.2	I1712 P1713 D1714	I1712-V1716 HydrophobicContact CG2-CB 4.49Å; P1713-V1716 HydrophobicContact CG-CG2 4.2Å; P1713-V1716 PolarHBondContact O-N 3.04Å; D1714-V1716 PolarHBondContact O-N 3.27Å
1717	D	62.1	Low	63.6	Low	31 Å²	31	68.2 Å²	68.2	17%	0.166	39%	0.387	C	S	.	.			trans	-79.8	173	153.9	-120.6	-32.8	0	0	0	108.5	I1712 D1714	I1712-D1717 HydrophobicContact CB-CB 4.43Å; I1712-D1717 WeakPolarHBondContact CB-OD2 3.4Å; I1712-D1717 WeakPolarHBondContact CD1-OD2 3.37Å; I1712-D1717 HydrophobicContact CG2-CB 3.64Å; I1712-D1717 VanDerWaalsContact CG2-CG 3.47Å; I1712-D1717 VanDerWaalsContact CG2-N 3.35Å; I1712-D1717 VanDerWaalsContact CG2-OD2 3.26Å; I1712-D1717 WeakPolarHBondContact CG2-OD2 3.5Å; D1714-D1717 PolarHBondContact O-N 3.41Å
1718	P	64.5	Low	63	Low	56 Å²	56	68.3 Å²	68.3	36%	0.364	40%	0.397	S	S	.	.	S	Bend	trans	-112.7	-0.2	161	-0.6	23.3	0	0	0	113	F1726 D1727	P1718-F1726 HydrophobicContact CB-CD1 3.37Å; P1718-F1726 HydrophobicContact CB-CE1 3.45Å; P1718-F1726 VanDerWaalsContact CB-CE1 3.45Å; P1718-F1726 HydrophobicContact CB-CG 4.37Å; P1718-F1726 HydrophobicContact CB-CZ 4.48Å; P1718-F1726 HydrophobicContact CG-CE1 4.14Å; P1718-F1726 CarbonylContact O-C 3.56Å; P1718-F1726 WeakPolarHBondContact O-CA 3.46Å; P1718-D1727 WeakPolarHBondContact CA-OD2 3.32Å; P1718-D1727 VanDerWaalsContact O-CG 3.26Å; P1718-D1727 PolarHBondContact O-N 3.3Å
1719	D	66.5	Low	62.5	Low	31 Å²	31	70.6 Å²	70.6	17%	0.166	40%	0.404	C	S	.	.			trans	-147.3	77.1	-167.9	174.1	-2.6	0	0	0	106.9	D1721 N1722 D1723 G1724 Y1725 D1727	D1719-D1721 PolarHBondContact O-N 3.33Å; D1719-N1722 PolarHBondContact O-N 2.94Å; D1719-N1722 WeakPolarHBondContact OD1-CA 3.38Å; D1719-N1722 PolarHBondContact OD1-N 2.75Å; D1719-D1723 PolarHBondContact OD1-N 2.77Å; D1719-G1724 PolarHBondContact OD2-N 3.25Å; D1719-Y1725 WeakPolarHBondContact CB-O 3.06Å; D1719-Y1725 VanDerWaalsContact CG-O 3.24Å; D1719-D1727 WeakPolarHBondContact CA-OD1 3.17Å; D1719-D1727 PolarHBondContact N-OD1 2.92Å; D1719-D1727 VanDerWaalsContact N-OD1 3.17Å
1720	D	70.7	Confident	62	Low	27 Å²	27	68.9 Å²	68.9	14%	0.144	39%	0.386	C	S	.	.	S	Bend	trans	-63.9	-17.2	-169.4	-80.2	-1.4	0	0	0	114.4	H1707 D1708 D1714 D1727	H1707-D1720 WeakPolarHBondContact CB-O 3.33Å; D1708-D1720 WeakPolarHBondContact CB-O 3.33Å; D1708-D1720 PolarHBondContact N-O 3.17Å; D1714-D1720 WeakPolarHBondContact CA-OD1 3.31Å; D1714-D1720 VanDerWaalsContact CB-OD2 3.29Å; D1714-D1720 WeakPolarHBondContact CB-OD2 3.33Å; D1714-D1720 VanDerWaalsContact O-OD1 3.08Å; D1720-D1727 WeakPolarHBondContact CB-OD1 3.23Å; D1720-D1727 VanDerWaalsContact CG-OD1 3.31Å; D1720-D1727 PolarHBondContact N-OD1 3.46Å
1721	D	67	Low	61.4	Low	69 Å²	69	64.3 Å²	64.3	37%	0.369	36%	0.362	S	S	.	.	S	Bend	trans	-104.2	-21.2	-177.3	-55.8	90.6	0	0	0	113.3	D1708 D1719 D1723 Q1730	D1708-D1721 VanDerWaalsContact CB-C 3.45Å; D1708-D1721 VanDerWaalsContact CB-O 3.29Å; D1708-D1721 WeakPolarHBondContact CB-O 3.17Å; D1719-D1721 PolarHBondContact O-N 3.33Å; D1721-D1723 VanDerWaalsContact C-N 3.34Å; D1721-D1723 HydrophobicContact CB-CB 4.37Å; D1721-Q1730 PolarHBondContact OD1-NE2 2.86Å
1722	N	61.1	Low	61	Low	97 Å²	97	65.4 Å²	65.4	52%	0.519	36%	0.362	S	S	.	.	S	Bend	trans	60.1	39.2	-165.7	-117.3	-108.4	0	0	0	113	D1708 D1719	D1708-N1722 HydrophobicContact CB-CB 4Å; D1719-N1722 PolarHBondContact O-N 2.94Å; D1719-N1722 WeakPolarHBondContact OD1-CA 3.38Å; D1719-N1722 PolarHBondContact OD1-N 2.75Å
1723	D	67.4	Low	60.7	Low	42 Å²	42	64.1 Å²	64.1	23%	0.225	36%	0.356	C	S	.	.	S	Bend	trans	-83.5	-33.5	176.1	64.1	15	0	0	0	112.5	D1719 D1721 Y1725 N1734	D1719-D1723 PolarHBondContact OD1-N 2.77Å; D1721-D1723 VanDerWaalsContact C-N 3.34Å; D1721-D1723 HydrophobicContact CB-CB 4.37Å; D1723-Y1725 PolarHBondContact OD1-N 3.48Å; D1723-N1734 VanDerWaalsContact CB-ND2 3.3Å; D1723-N1734 WeakPolarHBondContact CB-ND2 3.22Å
1724	G	62.1	Low	60	Low	54 Å²	54	66.9 Å²	66.9	56%	0.557	37%	0.368	S	S	*	.	S	Bend	trans	123.1	-7.9	-177.7	0	0	0	0	0	114.8	D1719	D1719-G1724 PolarHBondContact OD2-N 3.25Å
1725	Y	52.3	Low	60	Low	87 Å²	87	68.2 Å²	68.2	34%	0.341	38%	0.375	S	S	.	.	S	Bend	trans	-95.6	172.4	174.2	-68.8	-57.3	0	0	0	112.1	D1719 D1723 D1731 G1736 L1738	D1719-Y1725 WeakPolarHBondContact CB-O 3.06Å; D1719-Y1725 VanDerWaalsContact CG-O 3.24Å; D1723-Y1725 PolarHBondContact OD1-N 3.48Å; Y1725-D1731 HydrophobicContact CD2-CB 4.2Å; Y1725-G1736 WeakPolarHBondContact CE2-O 3.16Å; Y1725-G1736 PolarHBondContact OH-O 3.27Å; Y1725-L1738 HydrophobicContact CD1-CD2 3.45Å; Y1725-L1738 VanDerWaalsContact CD1-CD2 3.45Å; Y1725-L1738 HydrophobicContact CD2-CD2 4.35Å; Y1725-L1738 HydrophobicContact CE1-CD2 3.71Å; Y1725-L1738 HydrophobicContact CE1-CG 4.48Å; Y1725-L1738 HydrophobicContact CG-CD2 3.82Å
1726	F	59.3	Low	59.8	Low	122 Å²	122	63.6 Å²	63.6	54%	0.535	36%	0.357	S	S	.	.			trans	-102.1	142.7	177.7	-81.5	-109.5	0	0	0	109.7	P1718 T1728 K1729 Q1730	P1718-F1726 HydrophobicContact CB-CD1 3.37Å; P1718-F1726 HydrophobicContact CB-CE1 3.45Å; P1718-F1726 VanDerWaalsContact CB-CE1 3.45Å; P1718-F1726 HydrophobicContact CB-CG 4.37Å; P1718-F1726 HydrophobicContact CB-CZ 4.48Å; P1718-F1726 HydrophobicContact CG-CE1 4.14Å; P1718-F1726 CarbonylContact O-C 3.56Å; P1718-F1726 WeakPolarHBondContact O-CA 3.46Å; F1726-T1728 PolarHBondContact O-N 3.18Å; F1726-K1729 HydrophobicContact CB-CB 4.34Å; F1726-K1729 CarbonylContact O-C 3.53Å; F1726-K1729 WeakPolarHBondContact O-CA 3.32Å; F1726-K1729 WeakPolarHBondContact O-CB 3.01Å; F1726-K1729 PolarHBondContact O-N 2.96Å; F1726-Q1730 PolarHBondContact O-N 3.27Å
1727	D	53.7	Low	59.1	Low	49 Å²	49	61.4 Å²	61.4	26%	0.262	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-54.7	-26.7	-178	-24.8	-62.1	0	0	0	113.3	P1718 D1719 D1720 K1729	P1718-D1727 WeakPolarHBondContact CA-OD2 3.32Å; P1718-D1727 VanDerWaalsContact O-CG 3.26Å; P1718-D1727 PolarHBondContact O-N 3.3Å; D1719-D1727 WeakPolarHBondContact CA-OD1 3.17Å; D1719-D1727 PolarHBondContact N-OD1 2.92Å; D1719-D1727 VanDerWaalsContact N-OD1 3.17Å; D1720-D1727 WeakPolarHBondContact CB-OD1 3.23Å; D1720-D1727 VanDerWaalsContact CG-OD1 3.31Å; D1720-D1727 PolarHBondContact N-OD1 3.46Å; D1727-K1729 PolarHBondContact O-N 2.86Å
1728	T	52.4	Low	58.7	Low	122 Å²	122	60.5 Å²	60.5	75%	0.748	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-73.5	16.3	172.5	58.1	0	0	0	0	113.8	F1726	F1726-T1728 PolarHBondContact O-N 3.18Å
1729	K	53.4	Low	58.2	Low	95 Å²	95	61.6 Å²	61.6	41%	0.413	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-175.1	24.6	-157.2	-117	-179	163.3	-67	0	110.5	F1726 D1727 L1738	F1726-K1729 HydrophobicContact CB-CB 4.34Å; F1726-K1729 CarbonylContact O-C 3.53Å; F1726-K1729 WeakPolarHBondContact O-CA 3.32Å; F1726-K1729 WeakPolarHBondContact O-CB 3.01Å; F1726-K1729 PolarHBondContact O-N 2.96Å; D1727-K1729 PolarHBondContact O-N 2.86Å; K1729-L1738 HydrophobicContact CB-CD2 4.21Å; K1729-L1738 HydrophobicContact CD-CD2 4.43Å; K1729-L1738 HydrophobicContact CG-CD2 4.07Å; K1729-L1738 WeakPolarHBondContact O-CD2 3.23Å
1730	Q	49.4	Very low	57.3	Low	64 Å²	64	67.6 Å²	67.6	30%	0.299	37%	0.367	S	S	.	.			trans	-65	157	-168.6	-147.6	156.3	16.1	0	0	111.8	D1721 F1726 N1739	D1721-Q1730 PolarHBondContact OD1-NE2 2.86Å; F1726-Q1730 PolarHBondContact O-N 3.27Å; Q1730-N1739 VanDerWaalsContact C-ND2 3.27Å; Q1730-N1739 VanDerWaalsContact O-CB 3.29Å; Q1730-N1739 WeakPolarHBondContact O-CB 3.09Å; Q1730-N1739 PolarHBondContact O-N 3.21Å; Q1730-N1739 PolarHBondContact O-ND2 2.82Å
1731	D	56.2	Low	56.4	Low	7 Å²	7	75.5 Å²	75.5	4%	0.037	40%	0.395	C	S	.	.			trans	-102	132.1	167.8	173.1	-22.2	0	0	0	106	Y1725 D1733 N1734 D1735 G1736 L1737	Y1725-D1731 HydrophobicContact CD2-CB 4.2Å; D1731-D1733 PolarHBondContact OD1-N 2.92Å; D1731-N1734 VanDerWaalsContact CG-CA 3.48Å; D1731-N1734 WeakPolarHBondContact OD1-CA 3.42Å; D1731-N1734 PolarHBondContact OD1-N 3.43Å; D1731-N1734 VanDerWaalsContact OD2-CA 3.28Å; D1731-N1734 WeakPolarHBondContact OD2-CA 3.44Å; D1731-D1735 PolarHBondContact OD1-N 3.5Å; D1731-D1735 PolarHBondContact OD2-N 2.71Å; D1731-D1735 VanDerWaalsContact OD2-N 3.14Å; D1731-G1736 PolarHBondContact OD2-N 3.13Å; D1731-L1737 WeakPolarHBondContact CA-O 3.31Å; D1731-L1737 WeakPolarHBondContact CB-O 3.33Å
1732	S	58	Low	55.5	Low	74 Å²	74	73.1 Å²	73.1	52%	0.517	38%	0.382	S	S	.	.	S	Bend	trans	-84.5	-23.3	-169.8	-89.2	0	0	0	0	114.5	N1739	S1732-N1739 WeakPolarHBondContact CB-OD1 3.05Å; S1732-N1739 PolarHBondContact N-ND2 3.12Å; S1732-N1739 VanDerWaalsContact OG-CG 3.23Å; S1732-N1739 PolarHBondContact OG-ND2 2.98Å; S1732-N1739 PolarHBondContact OG-OD1 3.37Å
1733	D	58.8	Low	54.9	Low	38 Å²	38	72.1 Å²	72.1	20%	0.203	38%	0.377	C	S	.	.	S	Bend	trans	-133.7	-4.1	-175.1	68.2	52	0	0	0	115.3	D1731 N1747	D1731-D1733 PolarHBondContact OD1-N 2.92Å; D1733-N1747 HydrophobicContact CB-CB 3.93Å; D1733-N1747 VanDerWaalsContact CG-ND2 3.34Å; D1733-N1747 PolarHBondContact O-ND2 2.68Å; D1733-N1747 PolarHBondContact OD1-ND2 3.31Å
1734	N	51.7	Low	54.2	Low	99 Å²	99	70.3 Å²	70.3	53%	0.529	37%	0.367	S	S	.	.	S	Bend	trans	81.6	42.4	169.4	-157.4	-176.8	0	0	0	114.3	D1723 D1731	D1723-N1734 VanDerWaalsContact CB-ND2 3.3Å; D1723-N1734 WeakPolarHBondContact CB-ND2 3.22Å; D1731-N1734 VanDerWaalsContact CG-CA 3.48Å; D1731-N1734 WeakPolarHBondContact OD1-CA 3.42Å; D1731-N1734 PolarHBondContact OD1-N 3.43Å; D1731-N1734 VanDerWaalsContact OD2-CA 3.28Å; D1731-N1734 WeakPolarHBondContact OD2-CA 3.44Å
1735	D	65.8	Low	53.6	Low	43 Å²	43	73.7 Å²	73.7	23%	0.23	37%	0.373	C	S	.	.	S	Bend	trans	-81.6	-38.6	177	105.1	-61.9	0	0	0	113.2	D1731 L1737 Q2358	D1731-D1735 PolarHBondContact OD1-N 3.5Å; D1731-D1735 PolarHBondContact OD2-N 2.71Å; D1731-D1735 VanDerWaalsContact OD2-N 3.14Å; D1735-L1737 WeakPolarHBondContact OD1-CB 3.09Å; D1735-L1737 PolarHBondContact OD1-N 3.46Å; D1735-Q2358 PolarHBondContact O-NE2 2.87Å
1736	G	58.9	Low	53.7	Low	25 Å²	25	73.7 Å²	73.7	26%	0.258	38%	0.379	S	S	.	.	S	Bend	trans	134.9	-8	-170	0	0	0	0	0	116	Y1725 D1731	Y1725-G1736 WeakPolarHBondContact CE2-O 3.16Å; Y1725-G1736 PolarHBondContact OH-O 3.27Å; D1731-G1736 PolarHBondContact OD2-N 3.13Å
1737	L	49.2	Very low	53	Low	57 Å²	57	72.3 Å²	72.3	30%	0.298	38%	0.377	S	S	.	.			trans	-107.2	158	-178.2	-63.7	175	0	0	0	112.4	D1731 D1735 D1742	D1731-L1737 WeakPolarHBondContact CA-O 3.31Å; D1731-L1737 WeakPolarHBondContact CB-O 3.33Å; D1735-L1737 WeakPolarHBondContact OD1-CB 3.09Å; D1735-L1737 PolarHBondContact OD1-N 3.46Å; L1737-D1742 HydrophobicContact CB-CB 3.66Å
1738	L	54.5	Low	53.5	Low	12 Å²	12	74.8 Å²	74.8	6%	0.063	39%	0.39	C	S	.	.			trans	-90.7	139.8	-179.6	-52.3	157.3	0	0	0	109	Y1725 K1729 E1740 W1741 D1742	Y1725-L1738 HydrophobicContact CD1-CD2 3.45Å; Y1725-L1738 VanDerWaalsContact CD1-CD2 3.45Å; Y1725-L1738 HydrophobicContact CD2-CD2 4.35Å; Y1725-L1738 HydrophobicContact CE1-CD2 3.71Å; Y1725-L1738 HydrophobicContact CE1-CG 4.48Å; Y1725-L1738 HydrophobicContact CG-CD2 3.82Å; K1729-L1738 HydrophobicContact CB-CD2 4.21Å; K1729-L1738 HydrophobicContact CD-CD2 4.43Å; K1729-L1738 HydrophobicContact CG-CD2 4.07Å; K1729-L1738 WeakPolarHBondContact O-CD2 3.23Å; L1738-E1740 PolarHBondContact O-N 3.33Å; L1738-W1741 HydrophobicContact CD1-CE3 3.93Å; L1738-W1741 HydrophobicContact CD1-CZ3 4.18Å; L1738-W1741 CarbonylContact O-C 3.59Å; L1738-W1741 PolarHBondContact O-N 3.16Å; L1738-D1742 VanDerWaalsContact C-CB 3.41Å; L1738-D1742 WeakPolarHBondContact O-CB 3.49Å; L1738-D1742 PolarHBondContact O-N 3.27Å
1739	N	53.1	Low	53.5	Low	80 Å²	80	71.7 Å²	71.7	43%	0.428	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-1.8	174	-89.1	-80	0	0	0	117.8	Q1730 S1732	Q1730-N1739 VanDerWaalsContact C-ND2 3.27Å; Q1730-N1739 VanDerWaalsContact O-CB 3.29Å; Q1730-N1739 WeakPolarHBondContact O-CB 3.09Å; Q1730-N1739 PolarHBondContact O-N 3.21Å; Q1730-N1739 PolarHBondContact O-ND2 2.82Å; S1732-N1739 WeakPolarHBondContact CB-OD1 3.05Å; S1732-N1739 PolarHBondContact N-ND2 3.12Å; S1732-N1739 VanDerWaalsContact OG-CG 3.23Å; S1732-N1739 PolarHBondContact OG-ND2 2.98Å; S1732-N1739 PolarHBondContact OG-OD1 3.37Å
1740	E	48.3	Very low	53.2	Low	157 Å²	157	69.9 Å²	69.9	73%	0.734	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-12.7	171.5	-61.5	-175.4	177.2	0	0	113.6	L1738	L1738-E1740 PolarHBondContact O-N 3.33Å
1741	W	51.2	Low	53.2	Low	192 Å²	192	68.9 Å²	68.9	73%	0.727	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.7	-7.3	-177.6	-63	-20.7	0	0	0	113.7	L1738	L1738-W1741 HydrophobicContact CD1-CE3 3.93Å; L1738-W1741 HydrophobicContact CD1-CZ3 4.18Å; L1738-W1741 CarbonylContact O-C 3.59Å; L1738-W1741 PolarHBondContact O-N 3.16Å
1742	D	48.3	Very low	52.8	Low	19 Å²	19	73.1 Å²	73.1	10%	0.102	40%	0.398	C	S	.	.			trans	-81.2	134.2	169.4	171.5	22.6	0	0	0	108	L1737 L1738 D1744	L1737-D1742 HydrophobicContact CB-CB 3.66Å; L1738-D1742 VanDerWaalsContact C-CB 3.41Å; L1738-D1742 WeakPolarHBondContact O-CB 3.49Å; L1738-D1742 PolarHBondContact O-N 3.27Å; D1742-D1744 PolarHBondContact OD1-N 2.96Å
1743	D	49.6	Very low	52.3	Low	76 Å²	76	74.8 Å²	74.8	41%	0.406	41%	0.405	S	S	.	.			trans	-128.8	2.9	176.1	-73.1	-58.1	0	0	0	109.4	D1745 P1751 D1752	D1743-D1745 VanDerWaalsContact C-N 3.32Å; D1743-D1745 PolarHBondContact O-N 3.46Å; D1743-D1745 VanDerWaalsContact O-N 3.07Å; D1743-P1751 HydrophobicContact CB-CB 3.61Å; D1743-D1752 HydrophobicContact CB-CB 4.11Å; D1743-D1752 WeakPolarHBondContact O-CA 3.36Å; D1743-D1752 WeakPolarHBondContact O-CB 3.32Å; D1743-D1752 VanDerWaalsContact O-CG 3.24Å; D1743-D1752 PolarHBondContact O-N 3.05Å
1744	D	51.5	Low	51.5	Low	4 Å²	4	78.3 Å²	78.3	2%	0.021	42%	0.424	C	S	.	.			trans	-76.5	17.3	-166.2	-156.5	-98.9	0	0	0	116.7	D1742 D1746 N1747 D1748 G1749 I1750	D1742-D1744 PolarHBondContact OD1-N 2.96Å; D1744-D1746 PolarHBondContact O-N 3.09Å; D1744-N1747 PolarHBondContact O-N 3.35Å; D1744-N1747 VanDerWaalsContact OD1-CA 3.24Å; D1744-N1747 WeakPolarHBondContact OD1-CA 3.19Å; D1744-D1748 PolarHBondContact OD1-N 2.87Å; D1744-G1749 PolarHBondContact OD1-N 3.01Å; D1744-G1749 VanDerWaalsContact OD2-C 3.3Å; D1744-G1749 VanDerWaalsContact OD2-CA 3.26Å; D1744-G1749 WeakPolarHBondContact OD2-CA 3.11Å; D1744-G1749 PolarHBondContact OD2-N 3.5Å; D1744-I1750 WeakPolarHBondContact OD2-CA 3.44Å; D1744-I1750 PolarHBondContact OD2-N 3.04Å; D1744-I1750 VanDerWaalsContact OD2-O 3.06Å
1745	D	49.9	Very low	51.2	Low	126 Å²	126	74.6 Å²	74.6	67%	0.674	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.4	-3.9	-157.4	-153.8	46.8	0	0	0	119.3	D1743	D1743-D1745 VanDerWaalsContact C-N 3.32Å; D1743-D1745 PolarHBondContact O-N 3.46Å; D1743-D1745 VanDerWaalsContact O-N 3.07Å
1746	D	54.4	Low	50.3	Low	87 Å²	87	74.8 Å²	74.8	47%	0.465	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-22.2	167.5	-171.1	-97.7	0	0	0	115.2	D1744	D1744-D1746 PolarHBondContact O-N 3.09Å
1747	N	45	Very low	50	Low	93 Å²	93	74.2 Å²	74.2	50%	0.497	40%	0.395	S	S	.	.	S	Bend	trans	70.2	49.3	-173.4	-162	-118.9	0	0	0	114.9	D1733 D1744	D1733-N1747 HydrophobicContact CB-CB 3.93Å; D1733-N1747 VanDerWaalsContact CG-ND2 3.34Å; D1733-N1747 PolarHBondContact O-ND2 2.68Å; D1733-N1747 PolarHBondContact OD1-ND2 3.31Å; D1744-N1747 PolarHBondContact O-N 3.35Å; D1744-N1747 VanDerWaalsContact OD1-CA 3.24Å; D1744-N1747 WeakPolarHBondContact OD1-CA 3.19Å
1748	D	64.2	Low	49.9	Very low	100 Å²	100	75.5 Å²	75.5	54%	0.535	41%	0.409	S	S	.	.	S	Bend	trans	-97.3	-30	172.8	-169.9	-97.8	0	0	0	112.8	D1744	D1744-D1748 PolarHBondContact OD1-N 2.87Å
1749	G	52	Low	50.1	Low	57 Å²	57	79.4 Å²	79.4	59%	0.588	43%	0.429	S	S	*	.	S	Bend	trans	96.1	40	-172.2	0	0	0	0	0	113.8	D1744	D1744-G1749 PolarHBondContact OD1-N 3.01Å; D1744-G1749 VanDerWaalsContact OD2-C 3.3Å; D1744-G1749 VanDerWaalsContact OD2-CA 3.26Å; D1744-G1749 WeakPolarHBondContact OD2-CA 3.11Å; D1744-G1749 PolarHBondContact OD2-N 3.5Å
1750	I	47.8	Very low	49.5	Very low	58 Å²	58	78.1 Å²	78.1	30%	0.297	44%	0.435	S	S	.	.	S	Bend	trans	-148.2	121.9	167.2	-45.4	176.3	0	0	0	108	D1744 D1754	D1744-I1750 WeakPolarHBondContact OD2-CA 3.44Å; D1744-I1750 PolarHBondContact OD2-N 3.04Å; D1744-I1750 VanDerWaalsContact OD2-O 3.06Å; I1750-D1754 VanDerWaalsContact CG2-C 3.47Å; I1750-D1754 HydrophobicContact CG2-CB 3.59Å; I1750-D1754 WeakPolarHBondContact CG2-O 3.18Å
1751	P	49.1	Very low	50.3	Low	43 Å²	43	76.2 Å²	76.2	28%	0.279	43%	0.43	S	S	.	.			trans	-60.4	148.4	177.3	21.8	-32.5	0	0	0	113.4	D1743 V1753 D1754 D1755	D1743-P1751 HydrophobicContact CB-CB 3.61Å; P1751-V1753 HydrophobicContact CB-CG2 4.14Å; P1751-V1753 HydrophobicContact CG-CG2 4.41Å; P1751-V1753 PolarHBondContact O-N 2.98Å; P1751-D1754 CarbonylContact O-C 3.47Å; P1751-D1754 WeakPolarHBondContact O-CA 3.28Å; P1751-D1754 PolarHBondContact O-N 2.81Å; P1751-D1755 PolarHBondContact O-N 2.83Å
1752	D	46.8	Very low	50.1	Low	95 Å²	95	70 Å²	70	51%	0.508	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-23.4	-177.4	-101	-2.8	0	0	0	115.1	D1743 D1754	D1743-D1752 HydrophobicContact CB-CB 4.11Å; D1743-D1752 WeakPolarHBondContact O-CA 3.36Å; D1743-D1752 WeakPolarHBondContact O-CB 3.32Å; D1743-D1752 VanDerWaalsContact O-CG 3.24Å; D1743-D1752 PolarHBondContact O-N 3.05Å; D1752-D1754 PolarHBondContact O-N 2.83Å
1753	V	48	Very low	49.8	Very low	110 Å²	110	74.3 Å²	74.3	67%	0.667	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.2	172.6	-87.2	0	0	0	0	113.6	P1751	P1751-V1753 HydrophobicContact CB-CG2 4.14Å; P1751-V1753 HydrophobicContact CG-CG2 4.41Å; P1751-V1753 PolarHBondContact O-N 2.98Å
1754	D	42	Very low	49.5	Very low	112 Å²	112	74.7 Å²	74.7	60%	0.599	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.7	-7.1	179	-75.8	-54.7	0	0	0	113.7	I1750 P1751 D1752 E1756	I1750-D1754 VanDerWaalsContact CG2-C 3.47Å; I1750-D1754 HydrophobicContact CG2-CB 3.59Å; I1750-D1754 WeakPolarHBondContact CG2-O 3.18Å; P1751-D1754 CarbonylContact O-C 3.47Å; P1751-D1754 WeakPolarHBondContact O-CA 3.28Å; P1751-D1754 PolarHBondContact O-N 2.81Å; D1752-D1754 PolarHBondContact O-N 2.83Å; D1754-E1756 PolarHBondContact O-N 2.93Å
1755	D	45.1	Very low	48.9	Very low	20 Å²	20	79.8 Å²	79.8	11%	0.107	48%	0.476	C	S	.	.			trans	-63.1	124.2	173.4	174.6	46.7	0	0	0	111.1	P1751 D1757 S1758	P1751-D1755 PolarHBondContact O-N 2.83Å; D1755-D1757 PolarHBondContact OD1-N 3.07Å; D1755-S1758 VanDerWaalsContact OD2-CA 3.31Å; D1755-S1758 WeakPolarHBondContact OD2-CA 3.18Å; D1755-S1758 VanDerWaalsContact OD2-CB 3.31Å; D1755-S1758 WeakPolarHBondContact OD2-CB 3.44Å; D1755-S1758 PolarHBondContact OD2-N 2.79Å; D1755-S1758 VanDerWaalsContact OD2-N 3.11Å; D1755-S1758 PolarHBondContact OD2-OG 2.82Å
1756	E	48.3	Very low	48.3	Very low	47 Å²	47	76.7 Å²	76.7	22%	0.22	46%	0.464	C	S	.	.			trans	-111.3	0.4	176.3	-65.4	-164.6	131.7	0	0	113.5	D1754 I1764 D1765 C1766 P1768	D1754-E1756 PolarHBondContact O-N 2.93Å; E1756-I1764 HydrophobicContact CB-CB 4.33Å; E1756-I1764 HydrophobicContact CB-CG1 4.14Å; E1756-I1764 HydrophobicContact CB-CG2 3.76Å; E1756-I1764 CarbonylContact O-C 3.03Å; E1756-I1764 WeakPolarHBondContact O-CA 3.41Å; E1756-I1764 WeakPolarHBondContact OE2-CG2 3.4Å; E1756-D1765 WeakPolarHBondContact O-CA 3.44Å; E1756-D1765 PolarHBondContact O-N 2.92Å; E1756-C1766 HydrophobicContact CB-CB 3.79Å; E1756-C1766 VanDerWaalsContact CD-CB 3.44Å; E1756-C1766 HydrophobicContact CG-CB 3.63Å; E1756-C1766 PolarHBondContact O-N 2.87Å; E1756-C1766 WeakPolarHBondContact OE1-CB 3.44Å; E1756-P1768 WeakPolarHBondContact OE1-CD 3.38Å
1757	D	51.8	Low	47.5	Very low	14 Å²	14	80.5 Å²	80.5	8%	0.075	48%	0.478	C	S	.	.			trans	-120.6	39.1	-176.1	-162.1	-12.3	0	0	0	113.8	D1755 N1759 G1760 G1762 I1763 I1764	D1755-D1757 PolarHBondContact OD1-N 3.07Å; D1757-N1759 PolarHBondContact O-N 2.77Å; D1757-G1760 PolarHBondContact O-N 3.46Å; D1757-G1762 PolarHBondContact OD1-N 2.67Å; D1757-G1762 WeakPolarHBondContact OD2-CA 3.24Å; D1757-G1762 PolarHBondContact OD2-N 3.37Å; D1757-I1763 PolarHBondContact OD1-N 2.64Å; D1757-I1763 VanDerWaalsContact OD2-C 3.27Å; D1757-I1763 PolarHBondContact OD2-N 3.07Å; D1757-I1764 HydrophobicContact CB-CG1 4.29Å; D1757-I1764 VanDerWaalsContact CG-N 3.35Å; D1757-I1764 PolarHBondContact OD2-N 3.4Å
1758	S	46.4	Very low	47.4	Very low	84 Å²	84	77.7 Å²	77.7	59%	0.587	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	26.8	-172.2	-23.4	0	0	0	0	117	D1755	D1755-S1758 VanDerWaalsContact OD2-CA 3.31Å; D1755-S1758 WeakPolarHBondContact OD2-CA 3.18Å; D1755-S1758 VanDerWaalsContact OD2-CB 3.31Å; D1755-S1758 WeakPolarHBondContact OD2-CB 3.44Å; D1755-S1758 PolarHBondContact OD2-N 2.79Å; D1755-S1758 VanDerWaalsContact OD2-N 3.11Å; D1755-S1758 PolarHBondContact OD2-OG 2.82Å
1759	N	59	Low	46.6	Very low	93 Å²	93	79.6 Å²	79.6	50%	0.497	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-2.2	163.8	89	92.5	0	0	0	114.7	D1757 D1761 D1765	D1757-N1759 PolarHBondContact O-N 2.77Å; N1759-D1761 PolarHBondContact O-N 3.02Å; N1759-D1765 PolarHBondContact ND2-OD2 3.18Å
1760	G	40.5	Very low	46.8	Very low	53 Å²	53	79.1 Å²	79.1	55%	0.546	46%	0.455	S	S	.	.	S	Bend	trans	67	31	172.5	0	0	0	0	0	115.2	D1757	D1757-G1760 PolarHBondContact O-N 3.46Å
1761	D	65.1	Low	47.7	Very low	118 Å²	118	79.3 Å²	79.3	63%	0.631	46%	0.461	S	S	*	.	S	Bend	trans	-83	-23.2	173.9	-169	-94.1	0	0	0	111.6	N1759 I1763	N1759-D1761 PolarHBondContact O-N 3.02Å; D1761-I1763 WeakPolarHBondContact OD1-CD1 3.35Å
1762	G	47.3	Very low	48.2	Very low	62 Å²	62	79.7 Å²	79.7	64%	0.639	46%	0.461	S	S	*	.	S	Bend	trans	86.7	37.1	-172.3	0	0	0	0	0	111.8	D1757	D1757-G1762 PolarHBondContact OD1-N 2.67Å; D1757-G1762 WeakPolarHBondContact OD2-CA 3.24Å; D1757-G1762 PolarHBondContact OD2-N 3.37Å
1763	I	42.1	Very low	48.5	Very low	108 Å²	108	81.5 Å²	81.5	55%	0.554	47%	0.47	S	S	*	.	S	Bend	trans	-147.8	92.9	173.7	-48.6	177	0	0	0	108.3	D1757 D1761 D1765	D1757-I1763 PolarHBondContact OD1-N 2.64Å; D1757-I1763 VanDerWaalsContact OD2-C 3.27Å; D1757-I1763 PolarHBondContact OD2-N 3.07Å; D1761-I1763 WeakPolarHBondContact OD1-CD1 3.35Å; I1763-D1765 PolarHBondContact O-N 2.76Å
1764	I	42.2	Very low	49.6	Very low	84 Å²	84	81 Å²	81	43%	0.431	46%	0.464	S	S	.	.			trans	-21.1	107.2	153.9	-76.1	168	0	0	0	111.4	E1756 D1757 C1766	E1756-I1764 HydrophobicContact CB-CB 4.33Å; E1756-I1764 HydrophobicContact CB-CG1 4.14Å; E1756-I1764 HydrophobicContact CB-CG2 3.76Å; E1756-I1764 CarbonylContact O-C 3.03Å; E1756-I1764 WeakPolarHBondContact O-CA 3.41Å; E1756-I1764 WeakPolarHBondContact OE2-CG2 3.4Å; D1757-I1764 HydrophobicContact CB-CG1 4.29Å; D1757-I1764 VanDerWaalsContact CG-N 3.35Å; D1757-I1764 PolarHBondContact OD2-N 3.4Å; I1764-C1766 WeakPolarHBondContact CG2-O 3.43Å
1765	D	39.9	Very low	50.4	Low	112 Å²	112	78.4 Å²	78.4	60%	0.599	46%	0.464	S	S	*	.	S	Bend	trans	-81.5	-26.8	-177.9	-98.9	-21.6	0	0	0	111.7	E1756 N1759 I1763	E1756-D1765 WeakPolarHBondContact O-CA 3.44Å; E1756-D1765 PolarHBondContact O-N 2.92Å; N1759-D1765 PolarHBondContact ND2-OD2 3.18Å; I1763-D1765 PolarHBondContact O-N 2.76Å
1766	C	36.5	Very low	51.1	Low	61 Å²	61	80.4 Å²	80.4	41%	0.412	47%	0.474	S	S	.	.			trans	-75.9	131.7	165.1	-64.3	0	0	0	0	110.5	E1756 I1764	E1756-C1766 HydrophobicContact CB-CB 3.79Å; E1756-C1766 VanDerWaalsContact CD-CB 3.44Å; E1756-C1766 HydrophobicContact CG-CB 3.63Å; E1756-C1766 PolarHBondContact O-N 2.87Å; E1756-C1766 WeakPolarHBondContact OE1-CB 3.44Å; I1764-C1766 WeakPolarHBondContact CG2-O 3.43Å
1767	Q	39.3	Very low	51.6	Low	166 Å²	166	79.5 Å²	79.5	78%	0.776	47%	0.472	S	S	*	.			trans	-96.9	108.7	149.4	-67.4	-69.4	-110	0	0	104.1	H1769	Q1767-H1769 PolarHBondContact O-N 3.24Å
1768	P	41.5	Very low	52.2	Low	34 Å²	34	80.1 Å²	80.1	22%	0.221	48%	0.475	C	S	.	.			trans	-57.2	139.3	179.2	25.2	-34.6	0	0	0	107.8	E1756 P1777	E1756-P1768 WeakPolarHBondContact OE1-CD 3.38Å; P1768-P1777 HydrophobicContact CB-CB 3.68Å; P1768-P1777 HydrophobicContact CB-CG 4.23Å; P1768-P1777 HydrophobicContact CG-CB 3.71Å; P1768-P1777 HydrophobicContact CG-CG 3.7Å
1769	H	48.1	Very low	53.1	Low	140 Å²	140	82.5 Å²	82.5	65%	0.648	48%	0.477	S	S	*	.			trans	-57.8	142.8	-169.6	-143.3	64.1	0	0	0	109.8	Q1767 S1771 P1777 D1778	Q1767-H1769 PolarHBondContact O-N 3.24Å; H1769-S1771 PolarHBondContact CD2-OG 2.97Å; H1769-S1771 VanDerWaalsContact CD2-OG 3.24Å; H1769-P1777 CarbonylContact O-C 3.4Å; H1769-P1777 WeakPolarHBondContact O-CA 3.29Å; H1769-P1777 WeakPolarHBondContact O-CB 3.17Å; H1769-D1778 WeakPolarHBondContact CB-OD2 3.39Å; H1769-D1778 IonicContact CD2-OD2 2.82Å; H1769-D1778 PolarHBondContact CD2-OD2 3.42Å; H1769-D1778 IonicContact CG-OD2 3.36Å; H1769-D1778 VanDerWaalsContact O-CG 3.25Å; H1769-D1778 PolarHBondContact O-N 3.17Å; H1769-D1778 VanDerWaalsContact O-OD1 3.09Å
1770	D	56	Low	53.4	Low	48 Å²	48	83.1 Å²	83.1	26%	0.257	48%	0.479	S	S	.	.			trans	-139.1	68.2	-170.3	178.6	6	0	0	0	104.3	D1772 N1773 D1774 G1775 D1778	D1770-D1772 PolarHBondContact O-N 2.9Å; D1770-N1773 PolarHBondContact O-N 2.93Å; D1770-N1773 VanDerWaalsContact O-N 3.09Å; D1770-N1773 PolarHBondContact O-ND2 2.72Å; D1770-N1773 WeakPolarHBondContact OD1-CA 3.2Å; D1770-N1773 PolarHBondContact OD1-N 3.11Å; D1770-D1774 PolarHBondContact OD1-N 3.29Å; D1770-G1775 PolarHBondContact OD1-N 3.12Å; D1770-G1775 VanDerWaalsContact OD1-N 3.16Å; D1770-G1775 PolarHBondContact OD2-N 3.45Å; D1770-D1778 WeakPolarHBondContact CA-OD1 3.48Å; D1770-D1778 PolarHBondContact N-OD1 3.41Å
1771	S	65.7	Low	54.4	Low	62 Å²	62	82.1 Å²	82.1	43%	0.434	46%	0.461	S	S	.	.	S	Bend	trans	-59.6	-30.8	-163	-80.8	0	0	0	0	112.6	H1769 D1778 D1784	H1769-S1771 PolarHBondContact CD2-OG 2.97Å; H1769-S1771 VanDerWaalsContact CD2-OG 3.24Å; S1771-D1778 WeakPolarHBondContact CB-OD2 3.38Å; S1771-D1778 PolarHBondContact N-OD1 3.1Å; S1771-D1778 PolarHBondContact OG-OD2 3.09Å; S1771-D1784 VanDerWaalsContact CB-O 3.26Å; S1771-D1784 WeakPolarHBondContact CB-O 3.46Å
1772	D	61.3	Low	54.5	Low	50 Å²	50	80 Å²	80	27%	0.267	45%	0.448	S	S	.	.	S	Bend	trans	-97.8	-16.1	176.1	94.3	-41.6	0	0	0	115	D1770 D1774 D1784 N1786	D1770-D1772 PolarHBondContact O-N 2.9Å; D1772-D1774 VanDerWaalsContact OD1-CB 3.28Å; D1772-D1774 WeakPolarHBondContact OD1-CB 3.3Å; D1772-D1774 PolarHBondContact OD1-N 2.87Å; D1772-D1784 PolarHBondContact N-O 3.16Å; D1772-N1786 HydrophobicContact CB-CB 3.75Å; D1772-N1786 WeakPolarHBondContact OD2-CB 3.26Å; D1772-N1786 PolarHBondContact OD2-ND2 3.18Å
1773	N	53.4	Low	55.8	Low	133 Å²	133	78 Å²	78	71%	0.711	42%	0.422	S	S	*	.	S	Bend	trans	66.8	31.1	-173.1	-79.8	-134.7	0	0	0	115.3	D1770 G1775	D1770-N1773 PolarHBondContact O-N 2.93Å; D1770-N1773 VanDerWaalsContact O-N 3.09Å; D1770-N1773 PolarHBondContact O-ND2 2.72Å; D1770-N1773 WeakPolarHBondContact OD1-CA 3.2Å; D1770-N1773 PolarHBondContact OD1-N 3.11Å; N1773-G1775 VanDerWaalsContact C-N 3.33Å
1774	D	70.7	Confident	57.3	Low	101 Å²	101	74.8 Å²	74.8	54%	0.54	41%	0.406	S	S	.	.	S	Bend	trans	-65.2	-36.8	166.1	-179.9	-81.1	0	0	0	111.3	D1770 D1772	D1770-D1774 PolarHBondContact OD1-N 3.29Å; D1772-D1774 VanDerWaalsContact OD1-CB 3.28Å; D1772-D1774 WeakPolarHBondContact OD1-CB 3.3Å; D1772-D1774 PolarHBondContact OD1-N 2.87Å
1775	G	58.9	Low	58.8	Low	57 Å²	57	75.7 Å²	75.7	59%	0.588	41%	0.412	S	S	*	.	S	Bend	trans	93.7	22.2	-170.7	0	0	0	0	0	114.1	D1770 N1773	D1770-G1775 PolarHBondContact OD1-N 3.12Å; D1770-G1775 VanDerWaalsContact OD1-N 3.16Å; D1770-G1775 PolarHBondContact OD2-N 3.45Å; N1773-G1775 VanDerWaalsContact C-N 3.33Å
1776	I	58.1	Low	59.8	Low	62 Å²	62	74.5 Å²	74.5	32%	0.318	41%	0.405	S	S	.	.	S	Bend	trans	-104.8	130.4	152.7	-62.4	169.8	0	0	0	105	I1780 D1781	I1776-I1780 HydrophobicContact CG2-CB 3.84Å; I1776-I1780 HydrophobicContact CG2-CG2 4.1Å; I1776-D1781 HydrophobicContact CG2-CB 3.92Å
1777	P	60.8	Low	61.6	Low	27 Å²	27	76.4 Å²	76.4	18%	0.175	41%	0.412	C	S	.	.			trans	-74.9	153.9	176.1	-8.7	24.7	0	0	0	111.7	P1768 H1769 H1779 I1780 D1781	P1768-P1777 HydrophobicContact CB-CB 3.68Å; P1768-P1777 HydrophobicContact CB-CG 4.23Å; P1768-P1777 HydrophobicContact CG-CB 3.71Å; P1768-P1777 HydrophobicContact CG-CG 3.7Å; H1769-P1777 CarbonylContact O-C 3.4Å; H1769-P1777 WeakPolarHBondContact O-CA 3.29Å; H1769-P1777 WeakPolarHBondContact O-CB 3.17Å; P1777-H1779 VanDerWaalsContact C-N 3.28Å; P1777-H1779 PolarHBondContact O-N 2.9Å; P1777-H1779 VanDerWaalsContact O-N 3.17Å; P1777-I1780 HydrophobicContact CG-CD1 4.15Å; P1777-I1780 HydrophobicContact CG-CG1 4.4Å; P1777-I1780 CarbonylContact O-C 3.5Å; P1777-I1780 WeakPolarHBondContact O-CA 3.48Å; P1777-I1780 WeakPolarHBondContact O-CB 3.13Å; P1777-I1780 PolarHBondContact O-N 3.32Å; P1777-D1781 PolarHBondContact O-N 2.91Å
1778	D	64.3	Low	62.6	Low	27 Å²	27	69.8 Å²	69.8	14%	0.144	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-41.6	-174.9	-60.4	-0.9	0	0	0	112.3	H1769 D1770 S1771 I1780 D1781 D1784	H1769-D1778 WeakPolarHBondContact CB-OD2 3.39Å; H1769-D1778 IonicContact CD2-OD2 2.82Å; H1769-D1778 PolarHBondContact CD2-OD2 3.42Å; H1769-D1778 IonicContact CG-OD2 3.36Å; H1769-D1778 VanDerWaalsContact O-CG 3.25Å; H1769-D1778 PolarHBondContact O-N 3.17Å; H1769-D1778 VanDerWaalsContact O-OD1 3.09Å; D1770-D1778 WeakPolarHBondContact CA-OD1 3.48Å; D1770-D1778 PolarHBondContact N-OD1 3.41Å; S1771-D1778 WeakPolarHBondContact CB-OD2 3.38Å; S1771-D1778 PolarHBondContact N-OD1 3.1Å; S1771-D1778 PolarHBondContact OG-OD2 3.09Å; D1778-I1780 PolarHBondContact O-N 3.03Å; D1778-D1781 PolarHBondContact O-N 3.5Å; D1778-D1784 HydrophobicContact CB-CB 4.01Å
1779	H	64.6	Low	63.1	Low	134 Å²	134	70.9 Å²	70.9	62%	0.62	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-4.5	177.1	72.6	-107.4	0	0	0	114.9	P1777	P1777-H1779 VanDerWaalsContact C-N 3.28Å; P1777-H1779 PolarHBondContact O-N 2.9Å; P1777-H1779 VanDerWaalsContact O-N 3.17Å
1780	I	66	Low	63.6	Low	107 Å²	107	64.2 Å²	64.2	55%	0.549	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-21	179.5	-45.6	-170.1	0	0	0	112.3	I1776 P1777 D1778	I1776-I1780 HydrophobicContact CG2-CB 3.84Å; I1776-I1780 HydrophobicContact CG2-CG2 4.1Å; P1777-I1780 HydrophobicContact CG-CD1 4.15Å; P1777-I1780 HydrophobicContact CG-CG1 4.4Å; P1777-I1780 CarbonylContact O-C 3.5Å; P1777-I1780 WeakPolarHBondContact O-CA 3.48Å; P1777-I1780 WeakPolarHBondContact O-CB 3.13Å; P1777-I1780 PolarHBondContact O-N 3.32Å; D1778-I1780 PolarHBondContact O-N 3.03Å
1781	D	60.3	Low	63.7	Low	32 Å²	32	63.2 Å²	63.2	17%	0.171	36%	0.355	C	S	.	.			trans	-77.9	-178.9	166.1	-139.8	-48.6	0	0	0	110.6	R660 I1776 P1777 D1778	R660-D1781 IonicContact CZ-OD1 2.7Å; R660-D1781 IonicContact NH2-OD1 2.77Å; R660-D1781 PolarHBondContact NH2-OD1 3.13Å; I1776-D1781 HydrophobicContact CG2-CB 3.92Å; P1777-D1781 PolarHBondContact O-N 2.91Å; D1778-D1781 PolarHBondContact O-N 3.5Å
1782	E	68.2	Low	63	Low	74 Å²	74	65.9 Å²	65.9	35%	0.346	36%	0.36	S	S	.	.	S	Bend	trans	-144	52.2	165.4	-35	149.2	35	0	0	104.7	R660 P1790 D1791	R660-E1782 WeakPolarHBondContact CD-O 3.26Å; R660-E1782 VanDerWaalsContact CZ-CB 3.46Å; R660-E1782 VanDerWaalsContact CZ-CD 3.46Å; R660-E1782 IonicContact CZ-OE1 2.94Å; R660-E1782 IonicContact CZ-OE2 2.65Å; R660-E1782 PolarHBondContact NE-O 3.39Å; R660-E1782 IonicContact NH1-OE1 3.32Å; R660-E1782 PolarHBondContact NH1-OE1 3.12Å; R660-E1782 IonicContact NH1-OE2 3.15Å; R660-E1782 PolarHBondContact NH1-OE2 2.89Å; R660-E1782 IonicContact NH2-OE2 2.63Å; E1782-P1790 VanDerWaalsContact C-CB 3.46Å; E1782-P1790 HydrophobicContact CB-CB 4.04Å; E1782-P1790 WeakPolarHBondContact O-CA 3.4Å; E1782-P1790 WeakPolarHBondContact O-CB 3.47Å; E1782-P1790 VanDerWaalsContact O-CD 3.32Å; E1782-P1790 WeakPolarHBondContact O-CD 3.3Å; E1782-P1790 WeakPolarHBondContact O-CG 3.43Å; E1782-D1791 VanDerWaalsContact CA-OD1 3.27Å; E1782-D1791 WeakPolarHBondContact CA-OD1 3.16Å
1783	D	74	Confident	62.2	Low	19 Å²	19	66.7 Å²	66.7	10%	0.102	36%	0.359	C	S	.	.	S	Bend	trans	-176.4	47.1	-177.9	-132.3	-38.4	0	0	0	108.4	R660 D1785 N1786 G1788 I1789 D1791	R660-D1783 WeakPolarHBondContact CG-OD2 3.42Å; D1783-D1785 VanDerWaalsContact C-N 3.34Å; D1783-D1785 PolarHBondContact O-N 2.74Å; D1783-D1785 VanDerWaalsContact O-N 3.14Å; D1783-N1786 VanDerWaalsContact O-CA 3.25Å; D1783-N1786 WeakPolarHBondContact O-CA 3.49Å; D1783-N1786 PolarHBondContact O-N 2.81Å; D1783-G1788 WeakPolarHBondContact OD1-CA 3.01Å; D1783-G1788 PolarHBondContact OD1-N 2.91Å; D1783-I1789 PolarHBondContact OD1-N 2.97Å; D1783-D1791 PolarHBondContact N-OD1 3.29Å
1784	D	72.5	Confident	61.7	Low	41 Å²	41	62.7 Å²	62.7	22%	0.219	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.9	-155.5	-52.2	-11.3	0	0	0	115.1	S1771 D1772 D1778	S1771-D1784 VanDerWaalsContact CB-O 3.26Å; S1771-D1784 WeakPolarHBondContact CB-O 3.46Å; D1772-D1784 PolarHBondContact N-O 3.16Å; D1778-D1784 HydrophobicContact CB-CB 4.01Å
1785	D	73.7	Confident	60.1	Low	103 Å²	103	62.8 Å²	62.8	55%	0.551	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-1.4	173.9	75.4	-16.5	0	0	0	114	D1783 D1787	D1783-D1785 VanDerWaalsContact C-N 3.34Å; D1783-D1785 PolarHBondContact O-N 2.74Å; D1783-D1785 VanDerWaalsContact O-N 3.14Å; D1785-D1787 VanDerWaalsContact C-N 3.26Å; D1785-D1787 PolarHBondContact O-N 2.85Å; D1785-D1787 WeakPolarHBondContact OD1-CB 3.22Å; D1785-D1787 PolarHBondContact OD1-N 2.98Å
1786	N	61.6	Low	59.3	Low	87 Å²	87	66.8 Å²	66.8	47%	0.465	35%	0.352	S	S	.	.	S	Bend	trans	55.3	28.9	-174.6	-138.6	-36.9	0	0	0	114.8	D1772 D1783 G1788	D1772-N1786 HydrophobicContact CB-CB 3.75Å; D1772-N1786 WeakPolarHBondContact OD2-CB 3.26Å; D1772-N1786 PolarHBondContact OD2-ND2 3.18Å; D1783-N1786 VanDerWaalsContact O-CA 3.25Å; D1783-N1786 WeakPolarHBondContact O-CA 3.49Å; D1783-N1786 PolarHBondContact O-N 2.81Å; N1786-G1788 PolarHBondContact O-N 3.19Å
1787	D	74	Confident	58.2	Low	101 Å²	101	67.6 Å²	67.6	54%	0.54	36%	0.363	S	S	.	.	S	Bend	trans	-59.9	-31.8	169.3	151	-69.9	0	0	0	112	D1785 I1789	D1785-D1787 VanDerWaalsContact C-N 3.26Å; D1785-D1787 PolarHBondContact O-N 2.85Å; D1785-D1787 WeakPolarHBondContact OD1-CB 3.22Å; D1785-D1787 PolarHBondContact OD1-N 2.98Å; D1787-I1789 WeakPolarHBondContact OD1-CB 3.43Å; D1787-I1789 WeakPolarHBondContact OD1-CD1 3.45Å; D1787-I1789 WeakPolarHBondContact OD1-CG1 3.42Å; D1787-I1789 PolarHBondContact OD1-N 3.16Å
1788	G	61.8	Low	56.7	Low	26 Å²	26	71.2 Å²	71.2	27%	0.268	38%	0.379	S	S	.	.	S	Bend	trans	106.3	11.6	-169.1	0	0	0	0	0	113.8	R660 G661 D1783 N1786	R660-G1788 CarbonylContact C-O 3.21Å; R660-G1788 WeakPolarHBondContact CA-O 3.44Å; G661-G1788 PolarHBondContact N-O 2.9Å; D1783-G1788 WeakPolarHBondContact OD1-CA 3.01Å; D1783-G1788 PolarHBondContact OD1-N 2.91Å; N1786-G1788 PolarHBondContact O-N 3.19Å
1789	I	51.1	Low	55	Low	57 Å²	57	75.7 Å²	75.7	29%	0.292	41%	0.412	S	S	.	.			trans	-127.7	110.1	175.1	-61.9	163.7	0	0	0	108.1	D1783 D1787 D1791 D1794	D1783-I1789 PolarHBondContact OD1-N 2.97Å; D1787-I1789 WeakPolarHBondContact OD1-CB 3.43Å; D1787-I1789 WeakPolarHBondContact OD1-CD1 3.45Å; D1787-I1789 WeakPolarHBondContact OD1-CG1 3.42Å; D1787-I1789 PolarHBondContact OD1-N 3.16Å; I1789-D1791 PolarHBondContact O-N 2.97Å; I1789-D1794 HydrophobicContact CG2-CB 4.21Å
1790	P	58.5	Low	53.2	Low	0 Å²	0	77.3 Å²	77.3	0%	0	42%	0.418	C	S	.	.			trans	-51.6	127.6	160.4	7	-22.8	0	0	0	111.2	R660 G661 E1782 Q1792 R1793 D1794	R660-P1790 VanDerWaalsContact CB-CD 3.43Å; R660-P1790 HydrophobicContact CB-CG 3.73Å; R660-P1790 HydrophobicContact CG-CG 4.1Å; G661-P1790 WeakPolarHBondContact O-CD 3.45Å; G661-P1790 WeakPolarHBondContact O-CG 3.12Å; E1782-P1790 VanDerWaalsContact C-CB 3.46Å; E1782-P1790 HydrophobicContact CB-CB 4.04Å; E1782-P1790 WeakPolarHBondContact O-CA 3.4Å; E1782-P1790 WeakPolarHBondContact O-CB 3.47Å; E1782-P1790 VanDerWaalsContact O-CD 3.32Å; E1782-P1790 WeakPolarHBondContact O-CD 3.3Å; E1782-P1790 WeakPolarHBondContact O-CG 3.43Å; P1790-Q1792 PolarHBondContact O-N 3.24Å; P1790-Q1792 VanDerWaalsContact O-N 3.1Å; P1790-R1793 VanDerWaalsContact CG-CZ 3.44Å; P1790-R1793 CarbonylContact O-C 3.6Å; P1790-R1793 WeakPolarHBondContact O-CA 3.44Å; P1790-R1793 PolarHBondContact O-N 2.85Å; P1790-D1794 PolarHBondContact O-N 3.32Å
1791	D	58.1	Low	51.3	Low	27 Å²	27	78.7 Å²	78.7	14%	0.144	43%	0.426	C	S	.	.	G	3₁₀ helix		17	-74.6	123.4	42.3	-83.1	0	0	0	115.6	E1782 D1783 I1789 R1793 D1794	E1782-D1791 VanDerWaalsContact CA-OD1 3.27Å; E1782-D1791 WeakPolarHBondContact CA-OD1 3.16Å; D1783-D1791 PolarHBondContact N-OD1 3.29Å; I1789-D1791 PolarHBondContact O-N 2.97Å; D1791-R1793 PolarHBondContact O-N 2.8Å; D1791-D1794 WeakPolarHBondContact O-CB 3.41Å; D1791-D1794 PolarHBondContact O-N 3.31Å; D1791-D1794 VanDerWaalsContact O-N 3.16Å
1792	Q	50.8	Low	49.7	Very low	118 Å²	118	85.1 Å²	85.1	55%	0.551	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-55.5	-31.7	178.8	-64.8	-176.4	7.3	0	0	114.5	P1790	P1790-Q1792 PolarHBondContact O-N 3.24Å; P1790-Q1792 VanDerWaalsContact O-N 3.1Å
1793	R	45.4	Very low	47.8	Very low	67 Å²	67	89.7 Å²	89.7	25%	0.253	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-92.1	-25.2	-178.8	44.2	52.4	-163.3	-175.7	15.3	115.7	R660 G661 P1790 D1791	R660-R1793 PolarHBondContact O-NH1 2.89Å; G661-R1793 WeakPolarHBondContact O-CD 3.46Å; G661-R1793 PolarHBondContact O-NH1 2.87Å; P1790-R1793 VanDerWaalsContact CG-CZ 3.44Å; P1790-R1793 CarbonylContact O-C 3.6Å; P1790-R1793 WeakPolarHBondContact O-CA 3.44Å; P1790-R1793 PolarHBondContact O-N 2.85Å; D1791-R1793 PolarHBondContact O-N 2.8Å
1794	D	41.7	Very low	45.6	Very low	50 Å²	50	97.5 Å²	97.5	27%	0.267	51%	0.508	S	S	.	.			trans	-60.6	133.9	-179.3	171.4	37.8	0	0	0	109.7	I1789 P1790 D1791 D1796 S1797	I1789-D1794 HydrophobicContact CG2-CB 4.21Å; P1790-D1794 PolarHBondContact O-N 3.32Å; D1791-D1794 WeakPolarHBondContact O-CB 3.41Å; D1791-D1794 PolarHBondContact O-N 3.31Å; D1791-D1794 VanDerWaalsContact O-N 3.16Å; D1794-D1796 PolarHBondContact O-N 3.42Å; D1794-D1796 PolarHBondContact OD1-N 3.14Å; D1794-D1796 PolarHBondContact OD2-N 3.17Å; D1794-S1797 VanDerWaalsContact OD2-CB 3.31Å; D1794-S1797 WeakPolarHBondContact OD2-CB 3.29Å; D1794-S1797 PolarHBondContact OD2-N 3.34Å
1795	P	38.1	Very low	43.4	Very low	102 Å²	102	102 Å²	102	66%	0.662	53%	0.527	S	S	*	.	S	Bend	trans	-55.4	-29.7	172.3	-30.8	38.2	0	0	0	115.5
1796	D	41.7	Very low	41.3	Very low	141 Å²	141	103.7 Å²	103.7	75%	0.754	53%	0.53	S	S	*	.	S	Bend	trans	-104	-32.5	-163.1	-61.1	-37.2	0	0	0	112.4	D1794 M1798	D1794-D1796 PolarHBondContact O-N 3.42Å; D1794-D1796 PolarHBondContact OD1-N 3.14Å; D1794-D1796 PolarHBondContact OD2-N 3.17Å; D1796-M1798 VanDerWaalsContact C-N 3.29Å; D1796-M1798 PolarHBondContact O-N 3.05Å
1797	S	35.6	Very low	39.8	Very low	79 Å²	79	109.8 Å²	109.8	55%	0.552	55%	0.546	S	S	*	.	S	Bend	trans	-73.7	-1.1	172.1	-173.9	0	0	0	0	115.4	D1794	D1794-S1797 VanDerWaalsContact OD2-CB 3.31Å; D1794-S1797 WeakPolarHBondContact OD2-CB 3.29Å; D1794-S1797 PolarHBondContact OD2-N 3.34Å
1798	M	28.1	Very low	37.8	Very low	103 Å²	103	114.2 Å²	114.2	51%	0.507	56%	0.561	S	S	.	*			trans	-134.8	63.1	-172.1	-129	-66.6	-76.4	0	0	115.9	D1796 F1800	D1796-M1798 VanDerWaalsContact C-N 3.29Å; D1796-M1798 PolarHBondContact O-N 3.05Å; M1798-F1800 PolarHBondContact O-N 3.19Å
1799	S	28.8	Very low	36.3	Very low	121 Å²	121	119.2 Å²	119.2	85%	0.846	58%	0.581	S	S	*	*			trans	-75.5	41.7	-177.9	-158.5	0	0	0	0	116.1
1800	F	27.1	Very low	35.2	Very low	168 Å²	168	125.3 Å²	125.3	74%	0.737	61%	0.608	S	S	*	*	S	Bend	trans	-131.7	148.1	168.9	-133.4	-115.2	0	0	0	115.7	M1798	M1798-F1800 PolarHBondContact O-N 3.19Å
1801	L	26.1	Very low	33.9	Very low	136 Å²	136	127.1 Å²	127.1	71%	0.712	62%	0.623	S	S	*	*	S	Bend	trans	77.4	5.1	173.7	-54.6	-176.3	0	0	0	121.2
1802	L	27.5	Very low	32.7	Very low	168 Å²	168	129.6 Å²	129.6	88%	0.88	64%	0.636	S	S	*	*			trans	-102.4	-11.9	172.5	-122.3	143.8	0	0	0	116.8	K1804	L1802-K1804 PolarHBondContact O-N 3.43Å
1803	Y	26.9	Very low	31.8	Very low	170 Å²	170	128.2 Å²	128.2	67%	0.667	64%	0.637	S	S	*	*			trans	-71.6	0.8	-178.8	-119.6	-91.7	0	0	0	116.4	H1805 K1806	Y1803-H1805 VanDerWaalsContact C-N 3.28Å; Y1803-H1805 PolarHBondContact O-N 3.38Å; Y1803-K1806 HydrophobicContact CD1-CD 4.27Å; Y1803-K1806 HydrophobicContact CE1-CD 3.43Å; Y1803-K1806 VanDerWaalsContact CE1-CD 3.43Å; Y1803-K1806 PolarHBondContact OH-NZ 3.19Å
1804	K	28.5	Very low	31.3	Very low	182 Å²	182	128.5 Å²	128.5	79%	0.791	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	24.5	-165.1	-138.8	155.6	-162.1	149.5	0	116.5	L1802	L1802-K1804 PolarHBondContact O-N 3.43Å
1805	H	27.3	Very low	31.2	Very low	136 Å²	136	132.7 Å²	132.7	63%	0.63	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.3	14.4	175.6	-128.5	-90	0	0	0	119.8	Y1803 R1807	Y1803-H1805 VanDerWaalsContact C-N 3.28Å; Y1803-H1805 PolarHBondContact O-N 3.38Å; H1805-R1807 PolarHBondContact O-N 2.76Å
1806	K	29.1	Very low	31.2	Very low	138 Å²	138	130.9 Å²	130.9	60%	0.6	66%	0.655	S	S	*	*			trans	-66.4	42.8	178.9	-157.1	174.7	-178.1	-177.2	0	114.9	Y1803	Y1803-K1806 HydrophobicContact CD1-CD 4.27Å; Y1803-K1806 HydrophobicContact CE1-CD 3.43Å; Y1803-K1806 VanDerWaalsContact CE1-CD 3.43Å; Y1803-K1806 PolarHBondContact OH-NZ 3.19Å
1807	R	29.9	Very low	30.8	Very low	215 Å²	215	126 Å²	126	81%	0.811	64%	0.635	S	S	*	*			trans	-134.7	64.1	-177.5	-106.4	-178.1	172.1	166.7	2.4	115	H1805	H1805-R1807 PolarHBondContact O-N 2.76Å
1808	F	31.6	Very low	30.8	Very low	194 Å²	194	131.5 Å²	131.5	85%	0.851	64%	0.643	S	S	*	*	S	Bend	trans	-133.5	-14.7	175.9	-150.6	-97.6	0	0	0	117
1809	L	30.2	Very low	31.1	Very low	132 Å²	132	133.3 Å²	133.3	69%	0.691	65%	0.65	S	S	*	*	S	Bend	trans	-93.8	-24.4	-170.6	-79.2	163.2	0	0	0	115.8	A1811 L1828	L1809-A1811 VanDerWaalsContact C-N 3.31Å; L1809-A1811 PolarHBondContact O-N 3.31Å; L1809-L1828 HydrophobicContact CD1-CD2 4.09Å
1810	E	28.8	Very low	31.2	Very low	185 Å²	185	132.8 Å²	132.8	86%	0.864	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	56	-172.4	-75.7	-114.3	96.2	0	0	115.5	Y1901	E1810-Y1901 WeakPolarHBondContact O-CE1 3.43Å
1811	A	31.2	Very low	31.6	Very low	38 Å²	38	126.7 Å²	126.7	31%	0.314	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-145	8.7	179.1	0	0	0	0	0	116.5	L1809 Y1901	L1809-A1811 VanDerWaalsContact C-N 3.31Å; L1809-A1811 PolarHBondContact O-N 3.31Å; A1811-Y1901 HydrophobicContact CB-CE1 4.04Å; A1811-Y1901 HydrophobicContact CB-CE2 4.16Å
1812	I	31.6	Very low	32.3	Very low	79 Å²	79	126.1 Å²	126.1	41%	0.405	61%	0.613	S	S	.	*	S	Bend	trans	-123.3	124.1	-173.9	-60.1	-177.2	0	0	0	110.9	A1814 I1816 A1817	I1812-A1814 PolarHBondContact O-N 2.79Å; I1812-I1816 HydrophobicContact CG2-CB 3.57Å; I1812-I1816 HydrophobicContact CG2-CG2 3.67Å; I1812-A1817 HydrophobicContact CB-CB 4.4Å; I1812-A1817 HydrophobicContact CG2-CB 4.22Å
1813	P	33.7	Very low	32.9	Very low	88 Å²	88	125 Å²	125	57%	0.571	61%	0.607	S	S	*	*			trans	-58.7	129.6	177.5	-24.9	34.4	0	0	0	112.3	H1815 I1816	P1813-H1815 PolarHBondContact O-N 3.45Å; P1813-I1816 PolarHBondContact O-N 2.73Å
1814	A	34.4	Very low	33.3	Very low	74 Å²	74	123.5 Å²	123.5	61%	0.612	61%	0.61	S	S	*	*	H	α-helix	trans	-48.9	-8.1	-163.8	0	0	0	0	0	119.6	I1812 R1818	I1812-A1814 PolarHBondContact O-N 2.79Å; A1814-R1818 WeakPolarHBondContact O-CG 3.49Å
1815	H	39.5	Very low	33.6	Very low	137 Å²	137	120.9 Å²	120.9	63%	0.634	60%	0.604	S	S	*	*	H	α-helix	trans	-90	-11.3	171.7	77.4	-66.6	0	0	0	114.3	P1813	P1813-H1815 PolarHBondContact O-N 3.45Å
1816	I	36.9	Very low	33.8	Very low	64 Å²	64	119.4 Å²	119.4	33%	0.328	61%	0.605	S	S	.	*	H	α-helix	trans	-104.5	-37.8	175.8	-63.5	172.3	0	0	0	110.4	I1812 P1813 R1818 Q1819 E1820	I1812-I1816 HydrophobicContact CG2-CB 3.57Å; I1812-I1816 HydrophobicContact CG2-CG2 3.67Å; P1813-I1816 PolarHBondContact O-N 2.73Å; I1816-R1818 VanDerWaalsContact C-N 3.29Å; I1816-R1818 PolarHBondContact O-N 2.78Å; I1816-Q1819 WeakPolarHBondContact O-CA 2.8Å; I1816-Q1819 PolarHBondContact O-N 3.28Å; I1816-E1820 PolarHBondContact O-N 3.06Å
1817	A	34.1	Very low	34.3	Very low	39 Å²	39	118.7 Å²	118.7	32%	0.322	61%	0.608	S	S	.	*	H	α-helix	trans	-53	-47.5	172.8	0	0	0	0	0	111.4	I1812 Q1819 E1820 A1821	I1812-A1817 HydrophobicContact CB-CB 4.4Å; I1812-A1817 HydrophobicContact CG2-CB 4.22Å; A1817-Q1819 PolarHBondContact O-N 2.85Å; A1817-E1820 PolarHBondContact O-N 3.46Å; A1817-E1820 VanDerWaalsContact O-N 3.07Å; A1817-A1821 PolarHBondContact O-N 2.8Å
1818	R	35.1	Very low	34.4	Very low	194 Å²	194	113.4 Å²	113.4	73%	0.732	60%	0.595	S	S	*	*	H	α-helix	trans	-62.2	-9.7	174.3	-68.2	-177.2	179.5	-153.9	-2.5	115.3	A1814 I1816 N1822	A1814-R1818 WeakPolarHBondContact O-CG 3.49Å; I1816-R1818 VanDerWaalsContact C-N 3.29Å; I1816-R1818 PolarHBondContact O-N 2.78Å; R1818-N1822 PolarHBondContact O-ND2 3.24Å
1819	Q	34.6	Very low	34.6	Very low	141 Å²	141	106.9 Å²	106.9	66%	0.659	58%	0.582	S	S	*	*	H	α-helix	trans	-102.9	-15.2	174	-62.7	-155	-68.1	0	0	114	I1816 A1817	I1816-Q1819 WeakPolarHBondContact O-CA 2.8Å; I1816-Q1819 PolarHBondContact O-N 3.28Å; A1817-Q1819 PolarHBondContact O-N 2.85Å
1820	E	31.7	Very low	35.4	Very low	110 Å²	110	103.9 Å²	103.9	51%	0.514	57%	0.567	S	S	.	*	H	α-helix	trans	-108.5	-24.6	-178.9	-67.3	179.6	155.8	0	0	112.2	I1816 A1817 L1823	I1816-E1820 PolarHBondContact O-N 3.06Å; A1817-E1820 PolarHBondContact O-N 3.46Å; A1817-E1820 VanDerWaalsContact O-N 3.07Å; E1820-L1823 PolarHBondContact O-N 3.24Å
1821	A	35.4	Very low	36	Very low	40 Å²	40	100.5 Å²	100.5	33%	0.331	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-64.6	-39.6	167.6	0	0	0	0	0	112.7	A1817 L1823 L1824	A1817-A1821 PolarHBondContact O-N 2.8Å; A1821-L1823 PolarHBondContact O-N 3.45Å; A1821-L1824 PolarHBondContact O-N 2.71Å; A1821-L1824 VanDerWaalsContact O-N 3.11Å
1822	N	40.4	Very low	36.7	Very low	124 Å²	124	102.9 Å²	102.9	66%	0.663	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-64.2	17.6	174.6	-86.9	-79	0	0	0	114.8	R1818	R1818-N1822 PolarHBondContact O-ND2 3.24Å
1823	L	40.6	Very low	38	Very low	144 Å²	144	100.3 Å²	100.3	75%	0.754	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-135.1	0.8	178.1	-72.9	172.4	0	0	0	113.6	E1820 A1821	E1820-L1823 PolarHBondContact O-N 3.24Å; A1821-L1823 PolarHBondContact O-N 3.45Å
1824	L	34.4	Very low	39	Very low	140 Å²	140	101.7 Å²	101.7	73%	0.733	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.5	-7.1	-175	-73.4	174.3	0	0	0	115.4	A1821 V1826	A1821-L1824 PolarHBondContact O-N 2.71Å; A1821-L1824 VanDerWaalsContact O-N 3.11Å; L1824-V1826 PolarHBondContact O-N 2.79Å
1825	N	35.9	Very low	40.2	Very low	126 Å²	126	99.5 Å²	99.5	67%	0.674	53%	0.531	S	S	*	.			trans	55.5	43.3	172.4	-138.6	80.7	0	0	0	115.5	F1524	F1524-N1825 WeakPolarHBondContact CZ-OD1 3.3Å
1826	V	31.7	Very low	40.8	Very low	105 Å²	105	96.4 Å²	96.4	64%	0.636	52%	0.524	S	S	*	.			trans	-111.8	123.7	165.2	-176.9	0	0	0	0	105.3	L1824	L1824-V1826 PolarHBondContact O-N 2.79Å
1827	D	37.6	Very low	42.1	Very low	123 Å²	123	96.6 Å²	96.6	66%	0.658	53%	0.525	S	S	*	.			trans	-74.2	162.7	174	-142.1	-24.5	0	0	0	110.5
1828	L	32.2	Very low	43.4	Very low	104 Å²	104	97.1 Å²	97.1	55%	0.545	53%	0.534	S	S	.	.			trans	-140.7	113.7	177.7	-65.9	171.5	0	0	0	106.5	L1809	L1809-L1828 HydrophobicContact CD1-CD2 4.09Å
1829	G	37.3	Very low	44.3	Very low	57 Å²	57	91.7 Å²	91.7	59%	0.588	52%	0.519	S	S	*	.			trans	-52.7	175.5	-178.3	0	0	0	0	0	114.6
1830	D	45.3	Very low	45.5	Very low	70 Å²	70	86 Å²	86	37%	0.374	50%	0.495	S	S	.	.			trans	-66.1	147.3	176.6	-123.9	-49.3	0	0	0	108.4	K1531 N1832 D1833	K1531-D1830 WeakPolarHBondContact CE-OD2 3.1Å; K1531-D1830 IonicContact NZ-OD2 2.81Å; K1531-D1830 PolarHBondContact NZ-OD2 3.2Å; D1830-N1832 PolarHBondContact O-N 2.89Å; D1830-D1833 PolarHBondContact N-OD2 2.89Å; D1830-D1833 PolarHBondContact O-N 3.38Å
1831	P	42.9	Very low	46.7	Very low	114 Å²	114	83.2 Å²	83.2	74%	0.74	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	33	-178.4	-18.5	34.8	0	0	0	113.5
1832	N	45.9	Very low	47.9	Very low	87 Å²	87	88 Å²	88	47%	0.465	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.9	27.7	-165.6	-97.5	118.9	0	0	0	109.7	D1830 P1840 D1841	D1830-N1832 PolarHBondContact O-N 2.89Å; N1832-P1840 CarbonylContact O-C 3.59Å; N1832-P1840 WeakPolarHBondContact O-CA 3.4Å; N1832-P1840 WeakPolarHBondContact O-CB 3.26Å; N1832-D1841 VanDerWaalsContact C-OD2 3.31Å; N1832-D1841 WeakPolarHBondContact CA-OD2 3.27Å; N1832-D1841 PolarHBondContact ND2-OD2 3.21Å; N1832-D1841 PolarHBondContact O-N 2.87Å
1833	D	57.4	Low	48.6	Very low	26 Å²	26	86.5 Å²	86.5	14%	0.139	49%	0.49	C	S	.	.			trans	-137	139.6	161.2	65.1	66	0	0	0	105.2	D1830 D1841	D1830-D1833 PolarHBondContact N-OD2 2.89Å; D1830-D1833 PolarHBondContact O-N 3.38Å; D1833-D1841 VanDerWaalsContact CA-OD1 3.31Å; D1833-D1841 WeakPolarHBondContact CA-OD1 3.49Å; D1833-D1841 PolarHBondContact N-OD1 3.31Å
1834	K	56.7	Low	49.3	Very low	116 Å²	116	80.7 Å²	80.7	50%	0.504	46%	0.459	S	S	.	.	S	Bend	trans	-114.9	-65.9	-154.3	-98.7	-171.9	-174.9	176.4	0	112	C1836 L1847	K1834-C1836 VanDerWaalsContact C-N 3.33Å; K1834-C1836 PolarHBondContact O-SG 2.73Å; K1834-L1847 HydrophobicContact CD-CB 4.01Å; K1834-L1847 HydrophobicContact CD-CD2 3.71Å; K1834-L1847 HydrophobicContact CD-CG 4.41Å; K1834-L1847 WeakPolarHBondContact CD-O 3.18Å; K1834-L1847 HydrophobicContact CG-CD2 4.45Å; K1834-L1847 VanDerWaalsContact NZ-CB 3.3Å
1835	D	58.5	Low	50.3	Low	29 Å²	29	77.4 Å²	77.4	16%	0.155	44%	0.442	C	S	.	.	S	Bend	trans	-46.7	-49.2	162.7	58.6	-62	0	0	0	110.8	D1837 N1849	D1835-D1837 WeakPolarHBondContact OD2-CB 3.48Å; D1835-D1837 VanDerWaalsContact OD2-CG 3.25Å; D1835-D1837 PolarHBondContact OD2-N 2.93Å; D1835-N1849 HydrophobicContact CB-CB 3.9Å
1836	C	51.8	Low	51.5	Low	72 Å²	72	72.7 Å²	72.7	49%	0.486	42%	0.417	S	S	.	.	S	Bend	trans	96.9	24.3	178.2	-50.2	0	0	0	0	117.1	K1834	K1834-C1836 VanDerWaalsContact C-N 3.33Å; K1834-C1836 PolarHBondContact O-SG 2.73Å
1837	D	65.3	Low	52.9	Low	67 Å²	67	69.2 Å²	69.2	36%	0.358	40%	0.395	S	S	.	.	S	Bend	trans	-61.5	-36.8	172.6	78.7	-35.6	0	0	0	113.3	D1835 I1839	D1835-D1837 WeakPolarHBondContact OD2-CB 3.48Å; D1835-D1837 VanDerWaalsContact OD2-CG 3.25Å; D1835-D1837 PolarHBondContact OD2-N 2.93Å; D1837-I1839 PolarHBondContact OD1-N 2.79Å; D1837-I1839 WeakPolarHBondContact OD2-CB 3.49Å; D1837-I1839 VanDerWaalsContact OD2-CD1 3.3Å; D1837-I1839 WeakPolarHBondContact OD2-CD1 3.42Å; D1837-I1839 WeakPolarHBondContact OD2-CG1 3.29Å; D1837-I1839 PolarHBondContact OD2-N 2.95Å; D1837-I1839 VanDerWaalsContact OD2-N 3.08Å
1838	G	60.7	Low	54.2	Low	50 Å²	50	69.1 Å²	69.1	52%	0.515	39%	0.394	S	S	.	.	S	Bend	trans	111.4	-6	-173.7	0	0	0	0	0	115.8
1839	I	54.9	Low	55.2	Low	80 Å²	80	69 Å²	69	41%	0.41	40%	0.395	S	S	.	.	S	Bend	trans	-87.3	124.6	167.8	-55.3	171.7	0	0	0	108.9	D1837 I1843 D1844	D1837-I1839 PolarHBondContact OD1-N 2.79Å; D1837-I1839 WeakPolarHBondContact OD2-CB 3.49Å; D1837-I1839 VanDerWaalsContact OD2-CD1 3.3Å; D1837-I1839 WeakPolarHBondContact OD2-CD1 3.42Å; D1837-I1839 WeakPolarHBondContact OD2-CG1 3.29Å; D1837-I1839 PolarHBondContact OD2-N 2.95Å; D1837-I1839 VanDerWaalsContact OD2-N 3.08Å; I1839-I1843 HydrophobicContact CG2-CB 3.94Å; I1839-I1843 HydrophobicContact CG2-CG2 3.87Å; I1839-D1844 HydrophobicContact CB-CB 4.11Å; I1839-D1844 HydrophobicContact CG2-CB 3.69Å; I1839-D1844 VanDerWaalsContact CG2-N 3.25Å
1840	P	58.5	Low	56.8	Low	23 Å²	23	71.1 Å²	71.1	15%	0.149	39%	0.392	C	S	.	.			trans	-75.9	148.7	-177.2	-23.3	36.7	0	0	0	114.9	N1832 H1842 I1843 D1844	N1832-P1840 CarbonylContact O-C 3.59Å; N1832-P1840 WeakPolarHBondContact O-CA 3.4Å; N1832-P1840 WeakPolarHBondContact O-CB 3.26Å; P1840-H1842 PolarHBondContact O-N 2.91Å; P1840-H1842 PolarHBondContact O-ND1 3.41Å; P1840-I1843 PolarHBondContact O-N 2.85Å; P1840-I1843 VanDerWaalsContact O-N 3.08Å; P1840-D1844 PolarHBondContact O-N 3.17Å
1841	D	58	Low	57.4	Low	50 Å²	50	71 Å²	71	27%	0.267	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46	10.6	-171.8	-31.9	-50	0	0	0	119.7	N1832 D1833 L1847	N1832-D1841 VanDerWaalsContact C-OD2 3.31Å; N1832-D1841 WeakPolarHBondContact CA-OD2 3.27Å; N1832-D1841 PolarHBondContact ND2-OD2 3.21Å; N1832-D1841 PolarHBondContact O-N 2.87Å; D1833-D1841 VanDerWaalsContact CA-OD1 3.31Å; D1833-D1841 WeakPolarHBondContact CA-OD1 3.49Å; D1833-D1841 PolarHBondContact N-OD1 3.31Å; D1841-L1847 HydrophobicContact CB-CD2 3.74Å
1842	H	59	Low	57.7	Low	141 Å²	141	72.9 Å²	72.9	65%	0.653	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.1	17.2	-168.3	72.4	-60.8	0	0	0	111.8	P1840	P1840-H1842 PolarHBondContact O-N 2.91Å; P1840-H1842 PolarHBondContact O-ND1 3.41Å
1843	I	55.7	Low	57.9	Low	93 Å²	93	72.9 Å²	72.9	48%	0.477	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.5	-46	-176.7	-59.2	-179.1	0	0	0	106.6	I1839 P1840	I1839-I1843 HydrophobicContact CG2-CB 3.94Å; I1839-I1843 HydrophobicContact CG2-CG2 3.87Å; P1840-I1843 PolarHBondContact O-N 2.85Å; P1840-I1843 VanDerWaalsContact O-N 3.08Å
1844	D	55.1	Low	57.6	Low	22 Å²	22	75 Å²	75	12%	0.118	42%	0.415	C	S	.	.			trans	-50.3	150.8	153.6	161.6	43.7	0	0	0	111.2	I1839 P1840 D1846 L1847	I1839-D1844 HydrophobicContact CB-CB 4.11Å; I1839-D1844 HydrophobicContact CG2-CB 3.69Å; I1839-D1844 VanDerWaalsContact CG2-N 3.25Å; P1840-D1844 PolarHBondContact O-N 3.17Å; D1844-D1846 VanDerWaalsContact OD1-C 3.29Å; D1844-D1846 PolarHBondContact OD1-N 2.74Å; D1844-L1847 WeakPolarHBondContact OD2-CD2 3.31Å; D1844-L1847 WeakPolarHBondContact OD2-CG 3.36Å
1845	N	56.7	Low	57	Low	70 Å²	70	77.7 Å²	77.7	37%	0.374	42%	0.422	S	S	.	.	S	Bend	trans	-137.4	-4.6	-172.5	-101.1	-5.3	0	0	0	111.9	I1853 D1854 R1855	N1845-I1853 HydrophobicContact CB-CG1 4.47Å; N1845-I1853 HydrophobicContact CB-CG2 4.28Å; N1845-I1853 CarbonylContact O-C 3.51Å; N1845-I1853 VanDerWaalsContact O-CA 3.31Å; N1845-I1853 WeakPolarHBondContact O-CA 3.34Å; N1845-D1854 VanDerWaalsContact C-OD2 3.26Å; N1845-D1854 WeakPolarHBondContact O-CB 3.43Å; N1845-D1854 PolarHBondContact O-N 3.25Å; N1845-R1855 PolarHBondContact OD1-NH2 3.43Å
1846	D	59.5	Low	56.7	Low	28 Å²	28	81 Å²	81	15%	0.15	44%	0.444	C	S	.	.			trans	-134.2	77	-178.4	172.7	-1.4	0	0	0	106.6	D1844 D1848 N1849 D1850 G1851 K1852 D1854	D1844-D1846 VanDerWaalsContact OD1-C 3.29Å; D1844-D1846 PolarHBondContact OD1-N 2.74Å; D1846-D1848 PolarHBondContact O-N 3.06Å; D1846-N1849 PolarHBondContact O-N 2.82Å; D1846-N1849 VanDerWaalsContact O-N 3.1Å; D1846-N1849 WeakPolarHBondContact OD1-CA 3.48Å; D1846-N1849 PolarHBondContact OD1-N 3.02Å; D1846-N1849 WeakPolarHBondContact OD2-CA 3.29Å; D1846-D1850 PolarHBondContact OD1-N 3.43Å; D1846-D1850 PolarHBondContact OD2-N 3.13Å; D1846-G1851 WeakPolarHBondContact OD2-CA 3.47Å; D1846-G1851 PolarHBondContact OD2-N 2.93Å; D1846-K1852 WeakPolarHBondContact CB-O 3.43Å; D1846-K1852 VanDerWaalsContact CG-O 3.28Å; D1846-D1854 PolarHBondContact N-OD2 3.17Å
1847	L	61.5	Low	56.8	Low	32 Å²	32	83.8 Å²	83.8	17%	0.168	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	4.3	-169.3	-80.5	164.6	0	0	0	115.5	K1834 D1841 D1844 D1854	K1834-L1847 HydrophobicContact CD-CB 4.01Å; K1834-L1847 HydrophobicContact CD-CD2 3.71Å; K1834-L1847 HydrophobicContact CD-CG 4.41Å; K1834-L1847 WeakPolarHBondContact CD-O 3.18Å; K1834-L1847 HydrophobicContact CG-CD2 4.45Å; K1834-L1847 VanDerWaalsContact NZ-CB 3.3Å; D1841-L1847 HydrophobicContact CB-CD2 3.74Å; D1844-L1847 WeakPolarHBondContact OD2-CD2 3.31Å; D1844-L1847 WeakPolarHBondContact OD2-CG 3.36Å; L1847-D1854 WeakPolarHBondContact CB-OD2 3.21Å; L1847-D1854 VanDerWaalsContact CD1-OD2 3.24Å; L1847-D1854 WeakPolarHBondContact CD1-OD2 3.02Å; L1847-D1854 WeakPolarHBondContact CG-OD2 3.49Å; L1847-D1854 PolarHBondContact N-OD2 3.05Å
1848	D	66.1	Low	56.7	Low	120 Å²	120	82.7 Å²	82.7	64%	0.642	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	-21.5	176.8	-72.5	77.9	0	0	0	111.9	D1846	D1846-D1848 PolarHBondContact O-N 3.06Å
1849	N	51.7	Low	56.9	Low	103 Å²	103	82.9 Å²	82.9	55%	0.551	44%	0.437	S	S	*	.			trans	60.7	54.1	-170.5	-161.8	108.3	0	0	0	111.6	D1835 D1846	D1835-N1849 HydrophobicContact CB-CB 3.9Å; D1846-N1849 PolarHBondContact O-N 2.82Å; D1846-N1849 VanDerWaalsContact O-N 3.1Å; D1846-N1849 WeakPolarHBondContact OD1-CA 3.48Å; D1846-N1849 PolarHBondContact OD1-N 3.02Å; D1846-N1849 WeakPolarHBondContact OD2-CA 3.29Å
1850	D	70.9	Confident	57.3	Low	100 Å²	100	81 Å²	81	54%	0.535	43%	0.428	S	S	.	.	S	Bend	trans	-104.6	-0.9	176.8	84.4	-5.3	0	0	0	114.4	D1846 K1852	D1846-D1850 PolarHBondContact OD1-N 3.43Å; D1846-D1850 PolarHBondContact OD2-N 3.13Å; D1850-K1852 WeakPolarHBondContact OD1-CB 3.16Å; D1850-K1852 PolarHBondContact OD1-N 3.16Å
1851	G	59.2	Low	57.3	Low	69 Å²	69	88.3 Å²	88.3	71%	0.711	46%	0.462	S	S	*	.	S	Bend	trans	96.8	-8	-178	0	0	0	0	0	114	D1846	D1846-G1851 WeakPolarHBondContact OD2-CA 3.47Å; D1846-G1851 PolarHBondContact OD2-N 2.93Å
1852	K	48.4	Very low	57.9	Low	152 Å²	152	89.7 Å²	89.7	66%	0.661	47%	0.469	S	S	*	.	S	Bend	trans	-113.2	142.9	-174.1	-58.6	-172.9	178.4	-174.3	0	112.6	D1846 D1850	D1846-K1852 WeakPolarHBondContact CB-O 3.43Å; D1846-K1852 VanDerWaalsContact CG-O 3.28Å; D1850-K1852 WeakPolarHBondContact OD1-CB 3.16Å; D1850-K1852 PolarHBondContact OD1-N 3.16Å
1853	I	51.4	Low	58.2	Low	88 Å²	88	85.7 Å²	85.7	45%	0.451	47%	0.466	S	S	.	.			trans	-78.7	133.9	-179.8	-65.7	177.4	0	0	0	110.4	N1845 R1855 T1856	N1845-I1853 HydrophobicContact CB-CG1 4.47Å; N1845-I1853 HydrophobicContact CB-CG2 4.28Å; N1845-I1853 CarbonylContact O-C 3.51Å; N1845-I1853 VanDerWaalsContact O-CA 3.31Å; N1845-I1853 WeakPolarHBondContact O-CA 3.34Å; I1853-R1855 PolarHBondContact O-N 3.41Å; I1853-T1856 PolarHBondContact O-N 2.71Å; I1853-T1856 PolarHBondContact O-OG1 2.72Å
1854	D	49.4	Very low	58.4	Low	71 Å²	71	84.7 Å²	84.7	38%	0.38	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	15.9	177.6	-91.9	-74.6	0	0	0	117.8	N1845 D1846 L1847	N1845-D1854 VanDerWaalsContact C-OD2 3.26Å; N1845-D1854 WeakPolarHBondContact O-CB 3.43Å; N1845-D1854 PolarHBondContact O-N 3.25Å; D1846-D1854 PolarHBondContact N-OD2 3.17Å; L1847-D1854 WeakPolarHBondContact CB-OD2 3.21Å; L1847-D1854 VanDerWaalsContact CD1-OD2 3.24Å; L1847-D1854 WeakPolarHBondContact CD1-OD2 3.02Å; L1847-D1854 WeakPolarHBondContact CG-OD2 3.49Å; L1847-D1854 PolarHBondContact N-OD2 3.05Å
1855	R	45.4	Very low	58.8	Low	171 Å²	171	86.5 Å²	86.5	65%	0.645	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.6	-4.6	-173.2	-60.2	-164.3	-165.7	124	28.3	115.6	N1845 I1853	N1845-R1855 PolarHBondContact OD1-NH2 3.43Å; I1853-R1855 PolarHBondContact O-N 3.41Å
1856	T	52.4	Low	59.2	Low	100 Å²	100	85.1 Å²	85.1	61%	0.613	46%	0.463	S	S	*	.			trans	-119.3	31.6	-177.9	51.5	0	0	0	0	111.5	I1853	I1853-T1856 PolarHBondContact O-N 2.71Å; I1853-T1856 PolarHBondContact O-OG1 2.72Å
1857	Q	53.6	Low	59.2	Low	130 Å²	130	90.7 Å²	90.7	61%	0.607	49%	0.488	S	S	*	.			trans	-82.5	124.7	165.5	-82.9	178.1	-16.1	0	0	109.5	L1865 N1866	Q1857-L1865 WeakPolarHBondContact O-CA 3.42Å; Q1857-L1865 WeakPolarHBondContact O-CD2 3.13Å; Q1857-N1866 PolarHBondContact O-N 2.9Å; Q1857-N1866 PolarHBondContact O-OD1 3.3Å
1858	D	62.5	Low	59.3	Low	44 Å²	44	93.6 Å²	93.6	24%	0.235	51%	0.507	C	S	.	.			trans	-133.7	112.1	173.7	-175.2	-42.6	0	0	0	101.7	M1861 D1862 G1863 L1864 L1865 N1866	D1858-M1861 WeakPolarHBondContact OD1-CA 3.22Å; D1858-M1861 PolarHBondContact OD1-N 3.26Å; D1858-D1862 PolarHBondContact OD1-N 3.27Å; D1858-G1863 WeakPolarHBondContact OD2-CA 3.49Å; D1858-G1863 PolarHBondContact OD2-N 3.03Å; D1858-L1864 PolarHBondContact OD2-N 2.66Å; D1858-L1865 HydrophobicContact CB-CD2 4.46Å; D1858-N1866 WeakPolarHBondContact CA-OD1 3.29Å; D1858-N1866 PolarHBondContact N-OD1 2.96Å
1859	S	65.3	Low	59.3	Low	54 Å²	54	89.7 Å²	89.7	38%	0.378	49%	0.486	S	S	.	.	S	Bend	trans	-92.5	-17	-160.4	-102.1	0	0	0	0	114.7	N1866 D1872	S1859-N1866 WeakPolarHBondContact CB-ND2 3.31Å; S1859-N1866 PolarHBondContact N-OD1 2.97Å; S1859-N1866 PolarHBondContact OG-ND2 3.04Å; S1859-D1872 WeakPolarHBondContact CB-O 3.34Å
1860	D	63.1	Low	60.2	Low	41 Å²	41	91.7 Å²	91.7	22%	0.219	49%	0.492	C	S	.	.	S	Bend	trans	-123.3	-6.9	-177.7	61.5	-27.6	0	0	0	112.7	N1874	D1860-N1874 HydrophobicContact CB-CB 4.15Å; D1860-N1874 WeakPolarHBondContact OD2-CB 3.49Å; D1860-N1874 PolarHBondContact OD2-ND2 3.21Å
1861	M	57.9	Low	60.5	Low	175 Å²	175	88.1 Å²	88.1	86%	0.862	47%	0.473	S	S	*	.	S	Bend	trans	69.4	30.7	177.3	-51.6	-173.6	-178.1	0	0	114.1	D1858	D1858-M1861 WeakPolarHBondContact OD1-CA 3.22Å; D1858-M1861 PolarHBondContact OD1-N 3.26Å
1862	D	71.8	Confident	61.3	Low	80 Å²	80	86.1 Å²	86.1	43%	0.428	45%	0.446	S	S	.	.	S	Bend	trans	-79.4	-19.8	177.2	126.5	-53.8	0	0	0	113.3	D1858 L1864	D1858-D1862 PolarHBondContact OD1-N 3.27Å; D1862-L1864 WeakPolarHBondContact OD1-CA 3.06Å; D1862-L1864 WeakPolarHBondContact OD1-CB 3.19Å; D1862-L1864 WeakPolarHBondContact OD1-CG 3.27Å; D1862-L1864 PolarHBondContact OD1-N 2.97Å
1863	G	64.7	Low	62.5	Low	57 Å²	57	80.6 Å²	80.6	59%	0.588	42%	0.424	S	S	*	.	S	Bend	trans	102.6	3.3	-176.3	0	0	0	0	0	114.7	D1858	D1858-G1863 WeakPolarHBondContact OD2-CA 3.49Å; D1858-G1863 PolarHBondContact OD2-N 3.03Å
1864	L	60.6	Low	63.2	Low	71 Å²	71	80.9 Å²	80.9	37%	0.372	43%	0.426	S	S	.	.			trans	-116.1	83.1	178.4	-58.4	174.4	0	0	0	112.6	D1858 D1862 N1866 V1868 D1869	D1858-L1864 PolarHBondContact OD2-N 2.66Å; D1862-L1864 WeakPolarHBondContact OD1-CA 3.06Å; D1862-L1864 WeakPolarHBondContact OD1-CB 3.19Å; D1862-L1864 WeakPolarHBondContact OD1-CG 3.27Å; D1862-L1864 PolarHBondContact OD1-N 2.97Å; L1864-N1866 PolarHBondContact O-N 3.17Å; L1864-V1868 HydrophobicContact CD2-CG1 4.49Å; L1864-D1869 HydrophobicContact CB-CB 3.82Å; L1864-D1869 HydrophobicContact CD1-CB 4.35Å
1865	L	62.7	Low	64.4	Low	61 Å²	61	82.1 Å²	82.1	32%	0.319	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-23.1	131.1	166.2	-61	173	0	0	0	115.1	Q1857 D1858 H1867 V1868	Q1857-L1865 WeakPolarHBondContact O-CA 3.42Å; Q1857-L1865 WeakPolarHBondContact O-CD2 3.13Å; D1858-L1865 HydrophobicContact CB-CD2 4.46Å; L1865-H1867 PolarHBondContact O-N 2.79Å; L1865-H1867 PolarHBondContact O-ND1 3.17Å; L1865-V1868 PolarHBondContact O-N 2.68Å
1866	N	66.1	Low	65.6	Low	40 Å²	40	76.4 Å²	76.4	21%	0.214	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	44	-171	-54.1	37.2	0	0	0	117.9	Q1857 D1858 S1859 L1864 D1872	Q1857-N1866 PolarHBondContact O-N 2.9Å; Q1857-N1866 PolarHBondContact O-OD1 3.3Å; D1858-N1866 WeakPolarHBondContact CA-OD1 3.29Å; D1858-N1866 PolarHBondContact N-OD1 2.96Å; S1859-N1866 WeakPolarHBondContact CB-ND2 3.31Å; S1859-N1866 PolarHBondContact N-OD1 2.97Å; S1859-N1866 PolarHBondContact OG-ND2 3.04Å; L1864-N1866 PolarHBondContact O-N 3.17Å; N1866-D1872 WeakPolarHBondContact CA-OD1 3.27Å
1867	H	59.7	Low	66.1	Low	146 Å²	146	74.9 Å²	74.9	68%	0.676	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-161	2.9	177.6	75.4	-69.9	0	0	0	112	L1865	L1865-H1867 PolarHBondContact O-N 2.79Å; L1865-H1867 PolarHBondContact O-ND1 3.17Å
1868	V	63.2	Low	67	Low	93 Å²	93	71 Å²	71	56%	0.564	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	-36.9	180	-174.1	0	0	0	0	110.4	L1864 L1865	L1864-V1868 HydrophobicContact CD2-CG1 4.49Å; L1865-V1868 PolarHBondContact O-N 2.68Å
1869	D	64.8	Low	67.3	Low	38 Å²	38	71.3 Å²	71.3	20%	0.203	40%	0.403	C	S	.	.			trans	-67.5	173.1	167.2	-166.1	32.4	0	0	0	112.7	L1864 D1871 D1872	L1864-D1869 HydrophobicContact CB-CB 3.82Å; L1864-D1869 HydrophobicContact CD1-CB 4.35Å; D1869-D1871 VanDerWaalsContact OD2-CA 3.27Å; D1869-D1871 WeakPolarHBondContact OD2-CA 3.42Å; D1869-D1871 PolarHBondContact OD2-N 2.94Å; D1869-D1872 PolarHBondContact OD2-N 2.94Å
1870	E	71	Confident	67.4	Low	145 Å²	145	74.8 Å²	74.8	68%	0.678	42%	0.421	S	S	*	.	S	Bend	trans	-120.4	4.5	170.4	-60.2	-165.4	158.7	0	0	113.6	P1878 D1879	E1870-P1878 CarbonylContact O-C 3.36Å; E1870-P1878 VanDerWaalsContact O-C 3.23Å; E1870-P1878 WeakPolarHBondContact O-CA 3.43Å; E1870-P1878 WeakPolarHBondContact O-CB 3.31Å; E1870-D1879 PolarHBondContact O-N 2.97Å
1871	D	77.2	Confident	67.3	Low	25 Å²	25	78.9 Å²	78.9	13%	0.134	44%	0.442	C	S	.	.			trans	-144.3	50.5	-173.5	-146.1	-7.6	0	0	0	112.2	D1869 D1873 N1874 G1876 I1877 P1878 D1879	D1869-D1871 VanDerWaalsContact OD2-CA 3.27Å; D1869-D1871 WeakPolarHBondContact OD2-CA 3.42Å; D1869-D1871 PolarHBondContact OD2-N 2.94Å; D1871-D1873 PolarHBondContact O-N 3.28Å; D1871-N1874 PolarHBondContact O-N 3.28Å; D1871-G1876 VanDerWaalsContact OD2-CA 3.25Å; D1871-G1876 WeakPolarHBondContact OD2-CA 3.25Å; D1871-I1877 PolarHBondContact OD1-N 3.45Å; D1871-I1877 PolarHBondContact OD2-N 2.74Å; D1871-P1878 HydrophobicContact CB-CG 4.39Å; D1871-P1878 WeakPolarHBondContact OD1-CA 3.32Å; D1871-P1878 VanDerWaalsContact OD1-N 3.1Å; D1871-P1878 WeakPolarHBondContact OD2-CD 3.39Å; D1871-D1879 PolarHBondContact N-OD1 3.06Å
1872	D	77.2	Confident	67.5	Low	26 Å²	26	72.1 Å²	72.1	14%	0.139	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-38.8	-4.2	-170.6	-84.6	-2.7	0	0	0	120.1	S1859 N1866 D1869 D1879 A1885	S1859-D1872 WeakPolarHBondContact CB-O 3.34Å; N1866-D1872 WeakPolarHBondContact CA-OD1 3.27Å; D1869-D1872 PolarHBondContact OD2-N 2.94Å; D1872-D1879 PolarHBondContact N-OD1 2.98Å; D1872-A1885 HydrophobicContact CB-CB 4.4Å
1873	D	72.9	Confident	66.8	Low	36 Å²	36	71.6 Å²	71.6	19%	0.193	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.9	16.2	171.3	60.2	22.6	0	0	0	115.2	D1871 D1875 A1885 N1886 G1887	D1871-D1873 PolarHBondContact O-N 3.28Å; D1873-D1875 PolarHBondContact O-N 2.99Å; D1873-A1885 WeakPolarHBondContact OD2-CA 3.47Å; D1873-N1886 PolarHBondContact OD2-N 3.02Å; D1873-N1886 VanDerWaalsContact OD2-N 3.16Å; D1873-G1887 WeakPolarHBondContact OD2-CA 3.3Å; D1873-G1887 PolarHBondContact OD2-N 3.23Å
1874	N	66.3	Low	67.1	Low	94 Å²	94	70.4 Å²	70.4	50%	0.503	39%	0.391	S	S	.	.			trans	48.2	22.1	179.1	-119.5	-62.4	0	0	0	116.7	D1860 D1871 G1876	D1860-N1874 HydrophobicContact CB-CB 4.15Å; D1860-N1874 WeakPolarHBondContact OD2-CB 3.49Å; D1860-N1874 PolarHBondContact OD2-ND2 3.21Å; D1871-N1874 PolarHBondContact O-N 3.28Å; N1874-G1876 PolarHBondContact O-N 2.85Å
1875	D	75	Confident	67.4	Low	97 Å²	97	67.7 Å²	67.7	52%	0.519	38%	0.379	S	S	.	.	S	Bend	trans	-66.2	-16.2	174.7	137.7	-62.1	0	0	0	112.9	D1873 I1877	D1873-D1875 PolarHBondContact O-N 2.99Å; D1875-I1877 WeakPolarHBondContact OD1-CB 3.42Å; D1875-I1877 VanDerWaalsContact OD1-CD1 3.24Å; D1875-I1877 WeakPolarHBondContact OD1-CD1 3.09Å; D1875-I1877 WeakPolarHBondContact OD1-CG1 3.09Å; D1875-I1877 PolarHBondContact OD1-N 2.93Å
1876	G	68.8	Low	67.6	Low	52 Å²	52	66.7 Å²	66.7	54%	0.536	37%	0.374	S	S	.	.	S	Bend	trans	91.2	20.8	-179.9	0	0	0	0	0	113.6	D1871 N1874	D1871-G1876 VanDerWaalsContact OD2-CA 3.25Å; D1871-G1876 WeakPolarHBondContact OD2-CA 3.25Å; N1874-G1876 PolarHBondContact O-N 2.85Å
1877	I	63.5	Low	67.3	Low	68 Å²	68	67.6 Å²	67.6	35%	0.349	39%	0.392	S	S	.	.	S	Bend	trans	-129.6	83.5	178.5	-54.1	171.3	0	0	0	109	D1871 D1875 D1879 L1881 D1882	D1871-I1877 PolarHBondContact OD1-N 3.45Å; D1871-I1877 PolarHBondContact OD2-N 2.74Å; D1875-I1877 WeakPolarHBondContact OD1-CB 3.42Å; D1875-I1877 VanDerWaalsContact OD1-CD1 3.24Å; D1875-I1877 WeakPolarHBondContact OD1-CD1 3.09Å; D1875-I1877 WeakPolarHBondContact OD1-CG1 3.09Å; D1875-I1877 PolarHBondContact OD1-N 2.93Å; I1877-D1879 PolarHBondContact O-N 2.72Å; I1877-L1881 HydrophobicContact CG2-CB 3.82Å; I1877-D1882 HydrophobicContact CB-CB 4.06Å; I1877-D1882 HydrophobicContact CG2-CB 3.87Å; I1877-D1882 VanDerWaalsContact O-CB 3.25Å; I1877-D1882 WeakPolarHBondContact O-CB 3.43Å; I1877-D1882 PolarHBondContact O-N 2.79Å
1878	P	73.1	Confident	67.7	Low	47 Å²	47	64.4 Å²	64.4	31%	0.305	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-39.9	131.4	-175.4	-40.6	40	0	0	0	115.3	E1870 D1871 V1880 L1881 D1882	E1870-P1878 CarbonylContact O-C 3.36Å; E1870-P1878 VanDerWaalsContact O-C 3.23Å; E1870-P1878 WeakPolarHBondContact O-CA 3.43Å; E1870-P1878 WeakPolarHBondContact O-CB 3.31Å; D1871-P1878 HydrophobicContact CB-CG 4.39Å; D1871-P1878 WeakPolarHBondContact OD1-CA 3.32Å; D1871-P1878 VanDerWaalsContact OD1-N 3.1Å; D1871-P1878 WeakPolarHBondContact OD2-CD 3.39Å; P1878-V1880 CarbonylContact O-C 3.24Å; P1878-V1880 PolarHBondContact O-N 2.83Å; P1878-L1881 WeakPolarHBondContact O-CA 3.32Å; P1878-L1881 VanDerWaalsContact O-CB 3.25Å; P1878-L1881 WeakPolarHBondContact O-CB 3.48Å; P1878-L1881 PolarHBondContact O-N 3.02Å; P1878-D1882 PolarHBondContact O-N 2.9Å
1879	D	68.4	Low	67.6	Low	52 Å²	52	62.5 Å²	62.5	28%	0.278	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-19.4	-164.6	42	-102.7	0	0	0	116.4	E1870 D1871 D1872 I1877 L1881 A1885	E1870-D1879 PolarHBondContact O-N 2.97Å; D1871-D1879 PolarHBondContact N-OD1 3.06Å; D1872-D1879 PolarHBondContact N-OD1 2.98Å; I1877-D1879 PolarHBondContact O-N 2.72Å; D1879-L1881 PolarHBondContact O-N 2.92Å; D1879-L1881 VanDerWaalsContact O-N 3.16Å; D1879-A1885 HydrophobicContact CB-CB 3.39Å
1880	V	66.5	Low	67	Low	126 Å²	126	65 Å²	65	76%	0.764	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-14.2	165.8	178.3	0	0	0	0	113.2	P1878	P1878-V1880 CarbonylContact O-C 3.24Å; P1878-V1880 PolarHBondContact O-N 2.83Å
1881	L	61.7	Low	66	Low	127 Å²	127	60.4 Å²	60.4	67%	0.665	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	-38.7	-171.1	-59.8	178.5	0	0	0	113.4	I1877 P1878 D1879	I1877-L1881 HydrophobicContact CG2-CB 3.82Å; P1878-L1881 WeakPolarHBondContact O-CA 3.32Å; P1878-L1881 VanDerWaalsContact O-CB 3.25Å; P1878-L1881 WeakPolarHBondContact O-CB 3.48Å; P1878-L1881 PolarHBondContact O-N 3.02Å; D1879-L1881 PolarHBondContact O-N 2.92Å; D1879-L1881 VanDerWaalsContact O-N 3.16Å
1882	D	61.4	Low	64.9	Low	33 Å²	33	62.7 Å²	62.7	18%	0.176	39%	0.386	C	S	.	.			trans	-74.4	138.1	173.2	-161.7	68.5	0	0	0	111.4	I1877 P1878 D1884 A1885	I1877-D1882 HydrophobicContact CB-CB 4.06Å; I1877-D1882 HydrophobicContact CG2-CB 3.87Å; I1877-D1882 VanDerWaalsContact O-CB 3.25Å; I1877-D1882 WeakPolarHBondContact O-CB 3.43Å; I1877-D1882 PolarHBondContact O-N 2.79Å; P1878-D1882 PolarHBondContact O-N 2.9Å; D1882-D1884 VanDerWaalsContact C-N 3.34Å; D1882-D1884 VanDerWaalsContact OD2-CA 3.32Å; D1882-D1884 WeakPolarHBondContact OD2-CA 3.2Å; D1882-D1884 VanDerWaalsContact OD2-CB 3.31Å; D1882-D1884 WeakPolarHBondContact OD2-CB 3Å; D1882-D1884 PolarHBondContact OD2-N 2.96Å; D1882-A1885 HydrophobicContact CB-CB 4.46Å
1883	P	58.9	Low	63.2	Low	69 Å²	69	66.2 Å²	66.2	45%	0.448	41%	0.412	S	S	.	.	S	Bend	trans	-82.1	-1.3	177.5	34.6	-39.3	0	0	0	115.6	P1891 D1892	P1883-P1891 HydrophobicContact CB-CB 4.3Å; P1883-P1891 CarbonylContact O-C 3.55Å; P1883-P1891 WeakPolarHBondContact O-CA 3.46Å; P1883-P1891 WeakPolarHBondContact O-CB 3.12Å; P1883-D1892 PolarHBondContact O-N 3.36Å
1884	D	71	Confident	61.7	Low	33 Å²	33	73.5 Å²	73.5	18%	0.176	44%	0.437	C	S	.	.	S	Bend	trans	-138.2	16.4	-163.3	-143.5	-0.1	0	0	0	114.5	D1882 N1886 G1889 I1890 P1891	D1882-D1884 VanDerWaalsContact C-N 3.34Å; D1882-D1884 VanDerWaalsContact OD2-CA 3.32Å; D1882-D1884 WeakPolarHBondContact OD2-CA 3.2Å; D1882-D1884 VanDerWaalsContact OD2-CB 3.31Å; D1882-D1884 WeakPolarHBondContact OD2-CB 3Å; D1882-D1884 PolarHBondContact OD2-N 2.96Å; D1884-N1886 VanDerWaalsContact C-N 3.31Å; D1884-N1886 PolarHBondContact O-N 2.8Å; D1884-G1889 VanDerWaalsContact OD2-C 3.31Å; D1884-G1889 WeakPolarHBondContact OD2-CA 3.13Å; D1884-I1890 WeakPolarHBondContact OD1-CA 3.49Å; D1884-I1890 PolarHBondContact OD1-N 3.16Å; D1884-P1891 HydrophobicContact CB-CB 4.39Å; D1884-P1891 HydrophobicContact CB-CG 4.1Å; D1884-P1891 VanDerWaalsContact CG-CD 3.47Å; D1884-P1891 WeakPolarHBondContact OD1-CA 3.35Å; D1884-P1891 VanDerWaalsContact OD1-CD 3.31Å; D1884-P1891 WeakPolarHBondContact OD1-CD 3.31Å; D1884-P1891 WeakPolarHBondContact OD2-CD 3.25Å; D1884-P1891 WeakPolarHBondContact OD2-CG 3.39Å
1885	A	66.1	Low	60.1	Low	14 Å²	14	78.5 Å²	78.5	12%	0.116	45%	0.449	C	S	.	.			trans	-62.7	75.9	-169.8	0	0	0	0	0	115.7	D1872 D1873 D1879 D1882	D1872-A1885 HydrophobicContact CB-CB 4.4Å; D1873-A1885 WeakPolarHBondContact OD2-CA 3.47Å; D1879-A1885 HydrophobicContact CB-CB 3.39Å; D1882-A1885 HydrophobicContact CB-CB 4.46Å
1886	N	66.1	Low	57.9	Low	40 Å²	40	81.5 Å²	81.5	21%	0.214	47%	0.465	C	S	.	.	S	Bend	trans	-172.4	22.7	162.6	70	-96	0	0	0	110.5	D1873 D1884 D1888	D1873-N1886 PolarHBondContact OD2-N 3.02Å; D1873-N1886 VanDerWaalsContact OD2-N 3.16Å; D1884-N1886 VanDerWaalsContact C-N 3.31Å; D1884-N1886 PolarHBondContact O-N 2.8Å; N1886-D1888 WeakPolarHBondContact ND2-CB 3.31Å; N1886-D1888 PolarHBondContact ND2-OD2 2.8Å; N1886-D1888 PolarHBondContact O-N 3.25Å
1887	G	61	Low	55.9	Low	58 Å²	58	82.3 Å²	82.3	60%	0.598	47%	0.473	S	S	*	.	S	Bend	trans	68.6	-16.1	177.5	0	0	0	0	0	117.5	D1873 G1889	D1873-G1887 WeakPolarHBondContact OD2-CA 3.3Å; D1873-G1887 PolarHBondContact OD2-N 3.23Å; G1887-G1889 VanDerWaalsContact C-N 3.26Å; G1887-G1889 PolarHBondContact O-N 3.16Å; G1887-G1889 VanDerWaalsContact O-N 3.11Å
1888	D	68.4	Low	54.3	Low	80 Å²	80	82.7 Å²	82.7	43%	0.428	49%	0.494	S	S	.	.	S	Bend	trans	-73.3	-8.8	-163.6	84.9	28.6	0	0	0	116.2	N1886 I1890	N1886-D1888 WeakPolarHBondContact ND2-CB 3.31Å; N1886-D1888 PolarHBondContact ND2-OD2 2.8Å; N1886-D1888 PolarHBondContact O-N 3.25Å; D1888-I1890 WeakPolarHBondContact OD1-CA 3.5Å; D1888-I1890 WeakPolarHBondContact OD1-CB 3.27Å; D1888-I1890 WeakPolarHBondContact OD1-CG1 3.12Å; D1888-I1890 PolarHBondContact OD1-N 2.98Å
1889	G	60.3	Low	52.4	Low	53 Å²	53	85.9 Å²	85.9	55%	0.546	51%	0.508	S	S	.	.	S	Bend	trans	76.1	19.3	178.3	0	0	0	0	0	115	D1884 G1887	D1884-G1889 VanDerWaalsContact OD2-C 3.31Å; D1884-G1889 WeakPolarHBondContact OD2-CA 3.13Å; G1887-G1889 VanDerWaalsContact C-N 3.26Å; G1887-G1889 PolarHBondContact O-N 3.16Å; G1887-G1889 VanDerWaalsContact O-N 3.11Å
1890	I	51.1	Low	50.6	Low	91 Å²	91	91.6 Å²	91.6	47%	0.467	53%	0.532	S	S	.	.	S	Bend	trans	-125.6	75.2	-179.2	-43.7	176.5	0	0	0	112	D1884 D1888 D1892 R1894	D1884-I1890 WeakPolarHBondContact OD1-CA 3.49Å; D1884-I1890 PolarHBondContact OD1-N 3.16Å; D1888-I1890 WeakPolarHBondContact OD1-CA 3.5Å; D1888-I1890 WeakPolarHBondContact OD1-CB 3.27Å; D1888-I1890 WeakPolarHBondContact OD1-CG1 3.12Å; D1888-I1890 PolarHBondContact OD1-N 2.98Å; I1890-D1892 PolarHBondContact O-N 3.02Å; I1890-D1892 VanDerWaalsContact O-N 3.15Å; I1890-R1894 VanDerWaalsContact CG2-NH1 3.29Å
1891	P	52.1	Low	49	Very low	47 Å²	47	90.7 Å²	90.7	31%	0.305	52%	0.516	S	S	.	.			trans	-35.1	106.7	-162.9	-40.7	38.1	0	0	0	116.6	P1883 D1884 C1893 R1894	P1883-P1891 HydrophobicContact CB-CB 4.3Å; P1883-P1891 CarbonylContact O-C 3.55Å; P1883-P1891 WeakPolarHBondContact O-CA 3.46Å; P1883-P1891 WeakPolarHBondContact O-CB 3.12Å; D1884-P1891 HydrophobicContact CB-CB 4.39Å; D1884-P1891 HydrophobicContact CB-CG 4.1Å; D1884-P1891 VanDerWaalsContact CG-CD 3.47Å; D1884-P1891 WeakPolarHBondContact OD1-CA 3.35Å; D1884-P1891 VanDerWaalsContact OD1-CD 3.31Å; D1884-P1891 WeakPolarHBondContact OD1-CD 3.31Å; D1884-P1891 WeakPolarHBondContact OD2-CD 3.25Å; D1884-P1891 WeakPolarHBondContact OD2-CG 3.39Å; P1891-C1893 CarbonylContact O-C 3.42Å; P1891-C1893 PolarHBondContact O-N 2.95Å; P1891-R1894 WeakPolarHBondContact O-CB 3.28Å; P1891-R1894 PolarHBondContact O-N 2.9Å
1892	D	53.9	Low	47.7	Very low	73 Å²	73	90.1 Å²	90.1	39%	0.39	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-43.1	-29	-174.4	175.8	61.2	0	0	0	114.2	P1883 I1890 R1894 R1895	P1883-D1892 PolarHBondContact O-N 3.36Å; I1890-D1892 PolarHBondContact O-N 3.02Å; I1890-D1892 VanDerWaalsContact O-N 3.15Å; D1892-R1894 PolarHBondContact O-N 3.1Å; D1892-R1895 PolarHBondContact O-N 3.09Å; D1892-R1895 IonicContact OD1-NE 2.71Å; D1892-R1895 PolarHBondContact OD1-NE 3.49Å
1893	C	40	Very low	46.6	Very low	101 Å²	101	91.3 Å²	91.3	68%	0.682	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-53.3	1.1	166.7	74	0	0	0	0	115.7	P1891	P1891-C1893 CarbonylContact O-C 3.42Å; P1891-C1893 PolarHBondContact O-N 2.95Å
1894	R	41.7	Very low	45.4	Very low	189 Å²	189	91.8 Å²	91.8	71%	0.713	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-81.9	-18.7	164.7	-93.7	-177.5	175	156.4	10.4	117	I1890 P1891 D1892 D1896	I1890-R1894 VanDerWaalsContact CG2-NH1 3.29Å; P1891-R1894 WeakPolarHBondContact O-CB 3.28Å; P1891-R1894 PolarHBondContact O-N 2.9Å; D1892-R1894 PolarHBondContact O-N 3.1Å; R1894-D1896 PolarHBondContact O-N 3.2Å
1895	R	32.9	Very low	43.6	Very low	198 Å²	198	96.2 Å²	96.2	75%	0.747	53%	0.533	S	S	*	.	S	Bend	trans	-71.3	2.2	-166.6	-143.8	177.3	-81.6	-128.9	-3.2	115.4	D1892	D1892-R1895 PolarHBondContact O-N 3.09Å; D1892-R1895 IonicContact OD1-NE 2.71Å; D1892-R1895 PolarHBondContact OD1-NE 3.49Å
1896	D	28.3	Very low	42.5	Very low	161 Å²	161	97 Å²	97	86%	0.861	54%	0.537	S	S	*	.	S	Bend	trans	-148.8	109.8	169.9	-166	7.4	0	0	0	114.4	R1894	R1894-D1896 PolarHBondContact O-N 3.2Å
1897	G	27.6	Very low	40.9	Very low	69 Å²	69	102.2 Å²	102.2	71%	0.711	57%	0.574	S	S	*	*			trans	-179.8	-25.4	178.2	0	0	0	0	0	123.8
1898	G	29.2	Very low	39.9	Very low	75 Å²	75	104.1 Å²	104.1	77%	0.773	58%	0.578	S	S	*	*			trans	64.9	108.5	167.6	0	0	0	0	0	120
1899	L	32.8	Very low	38.5	Very low	115 Å²	115	102.4 Å²	102.4	60%	0.602	58%	0.579	S	S	*	*			trans	-93.3	144.6	-175.8	-55.6	-176.3	0	0	0	115.4	E1919	L1899-E1919 HydrophobicContact CD1-CG 3.57Å; L1899-E1919 HydrophobicContact CD2-CG 3.44Å; L1899-E1919 VanDerWaalsContact CD2-CG 3.44Å; L1899-E1919 HydrophobicContact CG-CG 4.04Å
1900	H	31	Very low	37.5	Very low	171 Å²	171	106.1 Å²	106.1	79%	0.792	59%	0.586	S	S	*	*			trans	-111	102.3	-152.7	-166.9	-37.5	0	0	0	116
1901	Y	34.4	Very low	37.2	Very low	107 Å²	107	105.4 Å²	105.4	42%	0.42	58%	0.582	S	S	.	*			trans	-68	155.1	171	54.1	-102.8	0	0	0	113.9	E1810 A1811 L1903	E1810-Y1901 WeakPolarHBondContact O-CE1 3.43Å; A1811-Y1901 HydrophobicContact CB-CE1 4.04Å; A1811-Y1901 HydrophobicContact CB-CE2 4.16Å; Y1901-L1903 HydrophobicContact CD2-CD1 4.42Å; Y1901-L1903 HydrophobicContact CD2-CD2 3.9Å; Y1901-L1903 HydrophobicContact CD2-CG 3.94Å; Y1901-L1903 HydrophobicContact CE2-CD1 4.1Å; Y1901-L1903 HydrophobicContact CE2-CD2 4.27Å; Y1901-L1903 HydrophobicContact CE2-CG 4.12Å
1902	K	33.2	Very low	36.8	Very low	115 Å²	115	112 Å²	112	50%	0.5	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125	107	-178.5	-155.8	168.5	-170.4	168.1	0	113.1	V1904	K1902-V1904 PolarHBondContact O-N 3.18Å
1903	L	38.5	Very low	35.9	Very low	58 Å²	58	115 Å²	115	30%	0.304	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.3	107.9	-174	-55.6	176.8	0	0	0	112.6	Y1901 K1905 I1911 V1914	Y1901-L1903 HydrophobicContact CD2-CD1 4.42Å; Y1901-L1903 HydrophobicContact CD2-CD2 3.9Å; Y1901-L1903 HydrophobicContact CD2-CG 3.94Å; Y1901-L1903 HydrophobicContact CE2-CD1 4.1Å; Y1901-L1903 HydrophobicContact CE2-CD2 4.27Å; Y1901-L1903 HydrophobicContact CE2-CG 4.12Å; L1903-K1905 PolarHBondContact O-N 2.92Å; L1903-K1905 VanDerWaalsContact O-N 3.16Å; L1903-I1911 HydrophobicContact CB-CD1 4.37Å; L1903-I1911 HydrophobicContact CB-CG1 4.3Å; L1903-I1911 HydrophobicContact CB-CG2 4.28Å; L1903-I1911 HydrophobicContact CD1-CD1 3.92Å; L1903-I1911 HydrophobicContact CD2-CD1 4.26Å; L1903-I1911 HydrophobicContact CD2-CG2 4.34Å; L1903-I1911 HydrophobicContact CG-CD1 4.41Å; L1903-V1914 HydrophobicContact CD2-CG1 4.36Å; L1903-V1914 HydrophobicContact CD2-CG2 3.8Å
1904	V	33.9	Very low	35.9	Very low	79 Å²	79	113.9 Å²	113.9	48%	0.479	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.6	98.3	177.6	-177.3	0	0	0	0	110.5	K1902 K1912 K1913	K1902-V1904 PolarHBondContact O-N 3.18Å; V1904-K1912 PolarHBondContact O-N 2.77Å; V1904-K1913 PolarHBondContact N-O 2.82Å
1905	K	33.1	Very low	35.5	Very low	127 Å²	127	108.9 Å²	108.9	55%	0.552	59%	0.592	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.4	135.9	177.3	-76.2	179.3	169.9	175.4	0	113.3	L1903 G1909 L1910 I1911	L1903-K1905 PolarHBondContact O-N 2.92Å; L1903-K1905 VanDerWaalsContact O-N 3.16Å; K1905-G1909 VanDerWaalsContact CD-O 3.26Å; K1905-G1909 WeakPolarHBondContact CD-O 2.92Å; K1905-G1909 WeakPolarHBondContact CE-O 3.28Å; K1905-G1909 WeakPolarHBondContact CG-O 3.34Å; K1905-L1910 WeakPolarHBondContact CA-O 3.44Å; K1905-I1911 HydrophobicContact CD-CG1 4.12Å; K1905-I1911 HydrophobicContact CG-CB 4.38Å; K1905-I1911 HydrophobicContact CG-CG1 3.6Å
1906	S	42.8	Very low	35.5	Very low	29 Å²	29	108.8 Å²	108.8	20%	0.203	59%	0.592	C	S	.	*			trans	-68	163.4	168.7	63.6	0	0	0	0	112	S1908 G1909 L1910	S1906-S1908 PolarHBondContact O-N 3.39Å; S1906-S1908 PolarHBondContact OG-OG 2.85Å; S1906-G1909 PolarHBondContact O-N 3.47Å; S1906-L1910 PolarHBondContact N-O 2.8Å; S1906-L1910 PolarHBondContact OG-O 3.36Å
1907	P	33.2	Very low	35.7	Very low	151 Å²	151	106.5 Å²	106.5	98%	0.981	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-14.1	174.5	-24.7	35.1	0	0	0	115
1908	S	40.3	Very low	35.9	Very low	98 Å²	98	114.3 Å²	114.3	69%	0.685	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-1	174.5	26.9	0	0	0	0	114.3	S1906 L1910	S1906-S1908 PolarHBondContact O-N 3.39Å; S1906-S1908 PolarHBondContact OG-OG 2.85Å; S1908-L1910 PolarHBondContact O-N 2.65Å
1909	G	38.7	Very low	36.3	Very low	43 Å²	43	115 Å²	115	44%	0.443	57%	0.57	S	S	.	*	S	Bend	trans	91.8	-19.6	175	0	0	0	0	0	115.8	K1905 S1906	K1905-G1909 VanDerWaalsContact CD-O 3.26Å; K1905-G1909 WeakPolarHBondContact CD-O 2.92Å; K1905-G1909 WeakPolarHBondContact CE-O 3.28Å; K1905-G1909 WeakPolarHBondContact CG-O 3.34Å; S1906-G1909 PolarHBondContact O-N 3.47Å
1910	L	39.3	Very low	36.3	Very low	131 Å²	131	111.1 Å²	111.1	69%	0.686	55%	0.551	S	S	*	*			trans	-70.9	139.6	173.2	-71.8	170.3	0	0	0	111.7	K1905 S1906 S1908	K1905-L1910 WeakPolarHBondContact CA-O 3.44Å; S1906-L1910 PolarHBondContact N-O 2.8Å; S1906-L1910 PolarHBondContact OG-O 3.36Å; S1908-L1910 PolarHBondContact O-N 2.65Å
1911	I	44.1	Very low	37	Very low	77 Å²	77	107.2 Å²	107.2	40%	0.395	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	142.7	175.2	-56.9	159.9	0	0	0	108.4	L1903 K1905	L1903-I1911 HydrophobicContact CB-CD1 4.37Å; L1903-I1911 HydrophobicContact CB-CG1 4.3Å; L1903-I1911 HydrophobicContact CB-CG2 4.28Å; L1903-I1911 HydrophobicContact CD1-CD1 3.92Å; L1903-I1911 HydrophobicContact CD2-CD1 4.26Å; L1903-I1911 HydrophobicContact CD2-CG2 4.34Å; L1903-I1911 HydrophobicContact CG-CD1 4.41Å; K1905-I1911 HydrophobicContact CD-CG1 4.12Å; K1905-I1911 HydrophobicContact CG-CB 4.38Å; K1905-I1911 HydrophobicContact CG-CG1 3.6Å
1912	K	44.1	Very low	37.3	Very low	184 Å²	184	108.5 Å²	108.5	80%	0.8	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	-13.3	178.2	-94.7	-149.5	168.6	-153.6	0	115.6	V1904	V1904-K1912 PolarHBondContact O-N 2.77Å
1913	K	34.9	Very low	38.1	Very low	137 Å²	137	107.7 Å²	107.7	60%	0.596	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-158.5	141.3	165.1	-136	-178.3	-179.9	-175.9	0	109.5	V1904 L1915	V1904-K1913 PolarHBondContact N-O 2.82Å; K1913-L1915 HydrophobicContact CD-CD2 4.4Å
1914	V	39.6	Very low	38.7	Very low	77 Å²	77	108.9 Å²	108.9	47%	0.467	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.1	138.4	153.5	-166.8	0	0	0	0	106	L1903	L1903-V1914 HydrophobicContact CD2-CG1 4.36Å; L1903-V1914 HydrophobicContact CD2-CG2 3.8Å
1915	L	32.7	Very low	39.1	Very low	85 Å²	85	109.7 Å²	109.7	45%	0.445	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.7	119.6	167.4	-79	162.9	0	0	0	107.2	K1913 I1917	K1913-L1915 HydrophobicContact CD-CD2 4.4Å; L1915-I1917 HydrophobicContact CB-CG1 4.38Å; L1915-I1917 PolarHBondContact O-N 3.29Å
1916	R	34.6	Very low	40.2	Very low	195 Å²	195	108.7 Å²	108.7	74%	0.736	55%	0.547	S	S	*	.			trans	-65.6	118.9	158.1	-169.5	-173.8	-78.6	179.7	-2.2	105.2
1917	I	31.2	Very low	41	Very low	114 Å²	114	109 Å²	109	59%	0.585	55%	0.545	S	S	*	.			trans	-108.9	133.1	171.3	-58.3	177.3	0	0	0	104.1	L1915	L1915-I1917 HydrophobicContact CB-CG1 4.38Å; L1915-I1917 PolarHBondContact O-N 3.29Å
1918	R	32.5	Very low	42	Very low	233 Å²	233	103.4 Å²	103.4	88%	0.879	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-60.1	139.6	175.5	-161.2	174.4	-170.3	156.7	2.8	107.9
1919	E	36.7	Very low	42.8	Very low	89 Å²	89	105.9 Å²	105.9	42%	0.416	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-57.1	132.5	167.5	-108.9	-72.7	110.1	0	0	107.7	L1899 Q1925	L1899-E1919 HydrophobicContact CD1-CG 3.57Å; L1899-E1919 HydrophobicContact CD2-CG 3.44Å; L1899-E1919 VanDerWaalsContact CD2-CG 3.44Å; L1899-E1919 HydrophobicContact CG-CG 4.04Å; E1919-Q1925 PolarHBondContact OE2-NE2 2.61Å
1920	P	33.9	Very low	44.2	Very low	33 Å²	33	107.1 Å²	107.1	21%	0.214	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-80.1	136.1	-172.8	33.1	-31.7	0	0	0	109.3	E1924 Q1925	P1920-E1924 WeakPolarHBondContact CA-OE2 3.18Å; P1920-E1924 HydrophobicContact CB-CB 3.51Å; P1920-E1924 HydrophobicContact CB-CG 3.43Å; P1920-E1924 VanDerWaalsContact CB-CG 3.43Å; P1920-Q1925 HydrophobicContact CG-CG 4.24Å; P1920-Q1925 WeakPolarHBondContact O-CB 3.19Å; P1920-Q1925 WeakPolarHBondContact O-CG 3.28Å; P1920-Q1925 PolarHBondContact O-N 3.18Å
1921	T	45.1	Very low	45.4	Very low	90 Å²	90	101.4 Å²	101.4	55%	0.552	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-49.3	168.1	179.5	59.8	0	0	0	0	113.6	E1923 E1924 Q1925	T1921-E1923 PolarHBondContact O-N 2.68Å; T1921-E1924 PolarHBondContact N-OE2 3.48Å; T1921-E1924 CarbonylContact O-C 3.56Å; T1921-E1924 WeakPolarHBondContact O-CA 3.36Å; T1921-E1924 WeakPolarHBondContact O-CB 3.48Å; T1921-E1924 PolarHBondContact O-N 2.81Å; T1921-E1924 VanDerWaalsContact OG1-CB 3.29Å; T1921-E1924 WeakPolarHBondContact OG1-CB 3.35Å; T1921-E1924 PolarHBondContact OG1-OE2 2.79Å; T1921-E1924 VanDerWaalsContact OG1-OE2 3.06Å; T1921-Q1925 PolarHBondContact O-N 3.5Å
1922	Q	40.2	Very low	46.3	Very low	133 Å²	133	101 Å²	101	62%	0.621	47%	0.472	S	S	*	.	H	α-helix	trans	-53.5	-29.4	177.5	-87.9	-160.1	7	0	0	114.3	E1924 H1926	Q1922-E1924 PolarHBondContact O-N 3.46Å; Q1922-E1924 VanDerWaalsContact O-N 3.1Å; Q1922-H1926 VanDerWaalsContact O-CA 3.27Å; Q1922-H1926 WeakPolarHBondContact O-CA 3.34Å; Q1922-H1926 WeakPolarHBondContact O-CB 3.11Å; Q1922-H1926 PolarHBondContact O-N 2.91Å
1923	E	51.2	Low	47.3	Very low	98 Å²	98	95.6 Å²	95.6	46%	0.458	45%	0.45	S	S	.	.	H	α-helix	trans	-72.5	0.7	174.6	-166	133.7	-118.4	0	0	114.1	K1185 V1186 S1187 T1921	K1185-E1923 WeakPolarHBondContact CA-OE1 3.37Å; V1186-E1923 VanDerWaalsContact CA-OE1 3.24Å; V1186-E1923 WeakPolarHBondContact CA-OE1 3.35Å; V1186-E1923 HydrophobicContact CG2-CB 4.47Å; V1186-E1923 HydrophobicContact CG2-CG 4.37Å; V1186-E1923 PolarHBondContact N-OE1 3.18Å; S1187-E1923 PolarHBondContact OG-O 3.21Å; T1921-E1923 PolarHBondContact O-N 2.68Å
1924	E	51.4	Low	48.6	Very low	84 Å²	84	90.6 Å²	90.6	39%	0.393	43%	0.434	S	S	.	.	H	α-helix	trans	-141	-35.8	-156.2	-148.1	-169.1	178.6	0	0	111.1	P1920 T1921 Q1922 Q1927 A1928	P1920-E1924 WeakPolarHBondContact CA-OE2 3.18Å; P1920-E1924 HydrophobicContact CB-CB 3.51Å; P1920-E1924 HydrophobicContact CB-CG 3.43Å; P1920-E1924 VanDerWaalsContact CB-CG 3.43Å; T1921-E1924 PolarHBondContact N-OE2 3.48Å; T1921-E1924 CarbonylContact O-C 3.56Å; T1921-E1924 WeakPolarHBondContact O-CA 3.36Å; T1921-E1924 WeakPolarHBondContact O-CB 3.48Å; T1921-E1924 PolarHBondContact O-N 2.81Å; T1921-E1924 VanDerWaalsContact OG1-CB 3.29Å; T1921-E1924 WeakPolarHBondContact OG1-CB 3.35Å; T1921-E1924 PolarHBondContact OG1-OE2 2.79Å; T1921-E1924 VanDerWaalsContact OG1-OE2 3.06Å; Q1922-E1924 PolarHBondContact O-N 3.46Å; Q1922-E1924 VanDerWaalsContact O-N 3.1Å; E1924-Q1927 VanDerWaalsContact CA-N 3.32Å; E1924-Q1927 HydrophobicContact CB-CB 4.44Å; E1924-Q1927 CarbonylContact O-C 3.58Å; E1924-Q1927 WeakPolarHBondContact O-CA 3.43Å; E1924-Q1927 WeakPolarHBondContact O-CB 3.24Å; E1924-Q1927 PolarHBondContact O-N 3.46Å; E1924-A1928 PolarHBondContact O-N 2.81Å
1925	Q	41.1	Very low	49.4	Very low	95 Å²	95	89.1 Å²	89.1	44%	0.444	42%	0.421	S	S	.	.	H	α-helix	trans	-64.9	-50.3	151.5	-101.4	-85	12.4	0	0	110.4	E1919 P1920 T1921 Q1927 A1928	E1919-Q1925 PolarHBondContact OE2-NE2 2.61Å; P1920-Q1925 HydrophobicContact CG-CG 4.24Å; P1920-Q1925 WeakPolarHBondContact O-CB 3.19Å; P1920-Q1925 WeakPolarHBondContact O-CG 3.28Å; P1920-Q1925 PolarHBondContact O-N 3.18Å; T1921-Q1925 PolarHBondContact O-N 3.5Å; Q1925-Q1927 PolarHBondContact O-N 2.99Å; Q1925-Q1927 VanDerWaalsContact O-N 3.15Å; Q1925-A1928 PolarHBondContact O-N 3.02Å
1926	H	56.5	Low	50.6	Low	107 Å²	107	93.5 Å²	93.5	50%	0.495	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	26.2	157.4	-114.1	78.7	0	0	0	112.3	V1186 S1187 K1188 Q1922	V1186-H1926 HydrophobicContact CG1-CB 4.19Å; V1186-H1926 HydrophobicContact CG2-CB 3.64Å; S1187-H1926 CarbonylContact C-O 3.55Å; K1188-H1926 VanDerWaalsContact CE-CA 3.43Å; K1188-H1926 WeakPolarHBondContact CE-CD2 3.13Å; K1188-H1926 WeakPolarHBondContact CE-O 3.17Å; K1188-H1926 PolarHBondContact NZ-CD2 2.68Å; K1188-H1926 PolarHBondContact NZ-CE1 3.28Å; K1188-H1926 PolarHBondContact NZ-NE2 3.27Å; Q1922-H1926 VanDerWaalsContact O-CA 3.27Å; Q1922-H1926 WeakPolarHBondContact O-CA 3.34Å; Q1922-H1926 WeakPolarHBondContact O-CB 3.11Å; Q1922-H1926 PolarHBondContact O-N 2.91Å
1927	Q	59.1	Low	51.7	Low	34 Å²	34	89.2 Å²	89.2	16%	0.159	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-31.4	146	-166.6	-164	121.5	0	0	112.2	S1187 K1188 I1189 E1924 Q1925 Y1929	S1187-Q1927 VanDerWaalsContact OG-CB 3.25Å; S1187-Q1927 WeakPolarHBondContact OG-CB 3.37Å; S1187-Q1927 VanDerWaalsContact OG-CG 3.31Å; S1187-Q1927 WeakPolarHBondContact OG-CG 3.41Å; K1188-Q1927 CarbonylContact C-O 2.96Å; K1188-Q1927 VanDerWaalsContact CA-CG 3.43Å; K1188-Q1927 WeakPolarHBondContact CA-O 3.29Å; K1188-Q1927 VanDerWaalsContact CB-O 3.27Å; K1188-Q1927 WeakPolarHBondContact CB-O 3.47Å; K1188-Q1927 WeakPolarHBondContact CG-O 3.07Å; I1189-Q1927 HydrophobicContact CB-CG 3.88Å; I1189-Q1927 WeakPolarHBondContact CB-O 3.32Å; I1189-Q1927 HydrophobicContact CG1-CG 4.31Å; I1189-Q1927 WeakPolarHBondContact CG2-O 3.13Å; I1189-Q1927 PolarHBondContact N-O 3.18Å; E1924-Q1927 VanDerWaalsContact CA-N 3.32Å; E1924-Q1927 HydrophobicContact CB-CB 4.44Å; E1924-Q1927 CarbonylContact O-C 3.58Å; E1924-Q1927 WeakPolarHBondContact O-CA 3.43Å; E1924-Q1927 WeakPolarHBondContact O-CB 3.24Å; E1924-Q1927 PolarHBondContact O-N 3.46Å; Q1925-Q1927 PolarHBondContact O-N 2.99Å; Q1925-Q1927 VanDerWaalsContact O-N 3.15Å; Q1927-Y1929 VanDerWaalsContact C-N 3.31Å; Q1927-Y1929 PolarHBondContact O-N 2.88Å
1928	A	55	Low	52.8	Low	34 Å²	34	88 Å²	88	28%	0.281	41%	0.413	S	S	.	.	S	Bend	trans	-69.4	0.4	-158.7	0	0	0	0	0	119.5	I1189 E1924 Q1925 N1932	I1189-A1928 HydrophobicContact CD1-CB 4.45Å; E1924-A1928 PolarHBondContact O-N 2.81Å; Q1925-A1928 PolarHBondContact O-N 3.02Å; A1928-N1932 PolarHBondContact O-ND2 2.96Å
1929	Y	58	Low	53.7	Low	151 Å²	151	82.5 Å²	82.5	59%	0.592	40%	0.4	S	S	*	.	S	Bend	trans	-121.6	-54.2	-159.8	174.9	-97	0	0	0	118.2	Q1927 V1931 N1932 E1933	Q1927-Y1929 VanDerWaalsContact C-N 3.31Å; Q1927-Y1929 PolarHBondContact O-N 2.88Å; Y1929-V1931 VanDerWaalsContact C-N 3.28Å; Y1929-V1931 PolarHBondContact O-N 2.63Å; Y1929-N1932 WeakPolarHBondContact O-CA 3.44Å; Y1929-N1932 WeakPolarHBondContact O-CB 3.29Å; Y1929-N1932 PolarHBondContact O-N 3.48Å; Y1929-E1933 PolarHBondContact O-N 3.38Å
1930	I	66.7	Low	54.1	Low	69 Å²	69	86 Å²	86	35%	0.354	41%	0.409	S	S	.	.	H	α-helix	trans	-56.3	-43.4	-171.6	-75.7	158.6	0	0	0	110.5	K1188 E1933 A1934	K1188-I1930 HydrophobicContact CB-CB 3.61Å; K1188-I1930 HydrophobicContact CB-CD1 4.02Å; K1188-I1930 HydrophobicContact CB-CG1 4.18Å; K1188-I1930 HydrophobicContact CD-CB 3.85Å; K1188-I1930 HydrophobicContact CD-CD1 3.4Å; K1188-I1930 HydrophobicContact CD-CG1 3.45Å; K1188-I1930 VanDerWaalsContact CD-CG1 3.45Å; K1188-I1930 HydrophobicContact CG-CB 3.88Å; K1188-I1930 HydrophobicContact CG-CD1 4.08Å; K1188-I1930 HydrophobicContact CG-CG1 4.08Å; I1930-E1933 CarbonylContact O-C 3.49Å; I1930-E1933 WeakPolarHBondContact O-CA 3.34Å; I1930-E1933 WeakPolarHBondContact O-CB 3.24Å; I1930-E1933 PolarHBondContact O-N 2.81Å; I1930-E1933 VanDerWaalsContact O-N 3.14Å; I1930-A1934 PolarHBondContact O-N 3.13Å
1931	V	65.7	Low	55.1	Low	11 Å²	11	88.9 Å²	88.9	7%	0.067	42%	0.422	C	S	.	.	H	α-helix	trans	-81.2	-16.4	-179.9	-163.4	0	0	0	0	112.7	D1167 I1189 Y1929 E1933 A1934 K1935	D1167-V1931 HydrophobicContact CB-CG2 4.46Å; D1167-V1931 VanDerWaalsContact CG-CG2 3.45Å; D1167-V1931 WeakPolarHBondContact OD1-CG2 3.16Å; I1189-V1931 HydrophobicContact CG2-CB 4.05Å; I1189-V1931 WeakPolarHBondContact O-CB 3.28Å; I1189-V1931 WeakPolarHBondContact O-CG1 3.34Å; I1189-V1931 WeakPolarHBondContact O-CG2 3.26Å; Y1929-V1931 VanDerWaalsContact C-N 3.28Å; Y1929-V1931 PolarHBondContact O-N 2.63Å; V1931-E1933 VanDerWaalsContact C-N 3.31Å; V1931-A1934 HydrophobicContact CB-CB 4.42Å; V1931-A1934 HydrophobicContact CG1-CB 4.14Å; V1931-A1934 CarbonylContact O-C 3.41Å; V1931-A1934 PolarHBondContact O-N 2.95Å; V1931-K1935 HydrophobicContact CG1-CG 4.49Å; V1931-K1935 VanDerWaalsContact CG1-NZ 3.31Å; V1931-K1935 VanDerWaalsContact O-CB 3.24Å; V1931-K1935 WeakPolarHBondContact O-CB 3.49Å; V1931-K1935 WeakPolarHBondContact O-CG 3.35Å; V1931-K1935 PolarHBondContact O-N 3.15Å
1932	N	62.1	Low	54.8	Low	69 Å²	69	93.2 Å²	93.2	37%	0.369	43%	0.428	S	S	.	.	H	α-helix	trans	-69.2	-35.8	163.4	-97.8	-44.9	0	0	0	110.4	A1928 Y1929 R1936	A1928-N1932 PolarHBondContact O-ND2 2.96Å; Y1929-N1932 WeakPolarHBondContact O-CA 3.44Å; Y1929-N1932 WeakPolarHBondContact O-CB 3.29Å; Y1929-N1932 PolarHBondContact O-N 3.48Å; N1932-R1936 WeakPolarHBondContact O-CB 3.33Å; N1932-R1936 WeakPolarHBondContact O-CG 3.46Å; N1932-R1936 PolarHBondContact O-N 3.4Å
1933	E	64.7	Low	54.7	Low	69 Å²	69	90.9 Å²	90.9	32%	0.322	43%	0.431	S	S	.	.	H	α-helix	trans	-66.8	-41.6	167.7	-129.4	-107.9	108.4	0	0	111.5	Y1929 I1930 V1931 R1936 K1937	Y1929-E1933 PolarHBondContact O-N 3.38Å; I1930-E1933 CarbonylContact O-C 3.49Å; I1930-E1933 WeakPolarHBondContact O-CA 3.34Å; I1930-E1933 WeakPolarHBondContact O-CB 3.24Å; I1930-E1933 PolarHBondContact O-N 2.81Å; I1930-E1933 VanDerWaalsContact O-N 3.14Å; V1931-E1933 VanDerWaalsContact C-N 3.31Å; E1933-R1936 CarbonylContact O-C 3.5Å; E1933-R1936 PolarHBondContact O-N 3.03Å; E1933-K1937 VanDerWaalsContact CD-NZ 3.28Å; E1933-K1937 WeakPolarHBondContact O-CB 3.37Å; E1933-K1937 WeakPolarHBondContact O-CG 3.48Å; E1933-K1937 PolarHBondContact O-N 2.74Å; E1933-K1937 WeakPolarHBondContact OE1-CD 3.2Å; E1933-K1937 WeakPolarHBondContact OE1-CE 3.12Å; E1933-K1937 IonicContact OE1-NZ 3.16Å; E1933-K1937 PolarHBondContact OE1-NZ 2.89Å; E1933-K1937 WeakPolarHBondContact OE2-CE 3.46Å; E1933-K1937 IonicContact OE2-NZ 3.74Å; E1933-K1937 PolarHBondContact OE2-NZ 2.99Å
1934	A	62.1	Low	54.1	Low	32 Å²	32	94.3 Å²	94.3	26%	0.264	45%	0.445	S	S	.	.	H	α-helix	trans	-64.7	-39.8	174.4	0	0	0	0	0	111.6	I1930 V1931 K1937 L1938	I1930-A1934 PolarHBondContact O-N 3.13Å; V1931-A1934 HydrophobicContact CB-CB 4.42Å; V1931-A1934 HydrophobicContact CG1-CB 4.14Å; V1931-A1934 CarbonylContact O-C 3.41Å; V1931-A1934 PolarHBondContact O-N 2.95Å; A1934-K1937 PolarHBondContact O-N 3.18Å; A1934-L1938 WeakPolarHBondContact O-CA 3.3Å; A1934-L1938 WeakPolarHBondContact O-CB 3.32Å; A1934-L1938 PolarHBondContact O-N 2.95Å
1935	K	57.6	Low	53.1	Low	47 Å²	47	97.1 Å²	97.1	20%	0.204	46%	0.461	C	S	.	.	H	α-helix	trans	-62.1	-43.6	171.7	-74.8	167.1	-174.9	93.6	0	110.3	I1189 D1190 V1931 L1938 I1939	I1189-K1935 PolarHBondContact O-NZ 2.59Å; D1190-K1935 WeakPolarHBondContact O-CE 3.27Å; D1190-K1935 PolarHBondContact O-NZ 2.84Å; V1931-K1935 HydrophobicContact CG1-CG 4.49Å; V1931-K1935 VanDerWaalsContact CG1-NZ 3.31Å; V1931-K1935 VanDerWaalsContact O-CB 3.24Å; V1931-K1935 WeakPolarHBondContact O-CB 3.49Å; V1931-K1935 WeakPolarHBondContact O-CG 3.35Å; V1931-K1935 PolarHBondContact O-N 3.15Å; K1935-L1938 PolarHBondContact O-N 3.36Å; K1935-I1939 VanDerWaalsContact O-CB 3.32Å; K1935-I1939 WeakPolarHBondContact O-CB 3.46Å; K1935-I1939 WeakPolarHBondContact O-CD1 3.19Å; K1935-I1939 WeakPolarHBondContact O-CG1 3.39Å; K1935-I1939 PolarHBondContact O-N 3.36Å
1936	R	56.3	Low	52.5	Low	177 Å²	177	103.9 Å²	103.9	67%	0.668	48%	0.483	S	S	*	.	H	α-helix	trans	-65.3	-42.7	174.5	-73.4	175.4	177.7	-163.5	0.7	112.5	N1932 E1933 R1940	N1932-R1936 WeakPolarHBondContact O-CB 3.33Å; N1932-R1936 WeakPolarHBondContact O-CG 3.46Å; N1932-R1936 PolarHBondContact O-N 3.4Å; E1933-R1936 CarbonylContact O-C 3.5Å; E1933-R1936 PolarHBondContact O-N 3.03Å; R1936-R1940 WeakPolarHBondContact O-CG 3.43Å; R1936-R1940 PolarHBondContact O-N 3.05Å; R1936-R1940 VanDerWaalsContact O-N 3.13Å
1937	K	58.2	Low	51.4	Low	104 Å²	104	107.7 Å²	107.7	45%	0.452	50%	0.501	S	S	.	.	H	α-helix	trans	-62.2	-47.8	172.8	-79.1	160.4	164.3	161.7	0	111.1	E1933 A1934 R1940 I1941	E1933-K1937 VanDerWaalsContact CD-NZ 3.28Å; E1933-K1937 WeakPolarHBondContact O-CB 3.37Å; E1933-K1937 WeakPolarHBondContact O-CG 3.48Å; E1933-K1937 PolarHBondContact O-N 2.74Å; E1933-K1937 WeakPolarHBondContact OE1-CD 3.2Å; E1933-K1937 WeakPolarHBondContact OE1-CE 3.12Å; E1933-K1937 IonicContact OE1-NZ 3.16Å; E1933-K1937 PolarHBondContact OE1-NZ 2.89Å; E1933-K1937 WeakPolarHBondContact OE2-CE 3.46Å; E1933-K1937 IonicContact OE2-NZ 3.74Å; E1933-K1937 PolarHBondContact OE2-NZ 2.99Å; A1934-K1937 PolarHBondContact O-N 3.18Å; K1937-R1940 WeakPolarHBondContact O-CB 3.04Å; K1937-R1940 PolarHBondContact O-N 3.06Å; K1937-I1941 WeakPolarHBondContact O-CG1 3.49Å; K1937-I1941 PolarHBondContact O-N 2.95Å
1938	L	53.8	Low	50.3	Low	90 Å²	90	110.5 Å²	110.5	47%	0.471	52%	0.522	S	S	.	.	H	α-helix	trans	-67.6	-38.6	-179.2	-170	67.2	0	0	0	111.6	A1934 K1935 I1941 R1942	A1934-L1938 WeakPolarHBondContact O-CA 3.3Å; A1934-L1938 WeakPolarHBondContact O-CB 3.32Å; A1934-L1938 PolarHBondContact O-N 2.95Å; K1935-L1938 PolarHBondContact O-N 3.36Å; L1938-I1941 CarbonylContact O-C 3.31Å; L1938-I1941 PolarHBondContact O-N 2.62Å; L1938-I1941 VanDerWaalsContact O-N 3.15Å; L1938-R1942 WeakPolarHBondContact O-CB 3.29Å; L1938-R1942 PolarHBondContact O-N 3.45Å
1939	I	52.5	Low	48.8	Very low	116 Å²	116	116.6 Å²	116.6	60%	0.595	55%	0.549	S	S	*	.	H	α-helix	trans	-62.9	-42.9	172.2	-72.6	165.6	0	0	0	110.5	K1935 I1941 R1942 A1943	K1935-I1939 VanDerWaalsContact O-CB 3.32Å; K1935-I1939 WeakPolarHBondContact O-CB 3.46Å; K1935-I1939 WeakPolarHBondContact O-CD1 3.19Å; K1935-I1939 WeakPolarHBondContact O-CG1 3.39Å; K1935-I1939 PolarHBondContact O-N 3.36Å; I1939-I1941 PolarHBondContact O-N 3.14Å; I1939-R1942 PolarHBondContact O-N 2.63Å; I1939-A1943 WeakPolarHBondContact O-CB 3.4Å; I1939-A1943 PolarHBondContact O-N 2.81Å
1940	R	46	Very low	47.6	Very low	163 Å²	163	114.1 Å²	114.1	62%	0.615	55%	0.552	S	S	*	*	H	α-helix	trans	-63.6	-24.3	173.6	-72.3	170.6	178.3	162.2	-0.6	113.5	R1936 K1937 K1944	R1936-R1940 WeakPolarHBondContact O-CG 3.43Å; R1936-R1940 PolarHBondContact O-N 3.05Å; R1936-R1940 VanDerWaalsContact O-N 3.13Å; K1937-R1940 WeakPolarHBondContact O-CB 3.04Å; K1937-R1940 PolarHBondContact O-N 3.06Å; R1940-K1944 WeakPolarHBondContact O-CD 3.44Å; R1940-K1944 WeakPolarHBondContact O-CG 3.4Å
1941	I	54.5	Low	45.7	Very low	94 Å²	94	119.7 Å²	119.7	48%	0.482	57%	0.573	S	S	.	*	H	α-helix	trans	-87.1	-43.6	175.7	-69.2	164.3	0	0	0	111.4	K1937 L1938 I1939 A1943 K1944 L1945	K1937-I1941 WeakPolarHBondContact O-CG1 3.49Å; K1937-I1941 PolarHBondContact O-N 2.95Å; L1938-I1941 CarbonylContact O-C 3.31Å; L1938-I1941 PolarHBondContact O-N 2.62Å; L1938-I1941 VanDerWaalsContact O-N 3.15Å; I1939-I1941 PolarHBondContact O-N 3.14Å; I1941-A1943 VanDerWaalsContact C-N 3.31Å; I1941-A1943 PolarHBondContact O-N 2.73Å; I1941-K1944 WeakPolarHBondContact O-CA 3.36Å; I1941-K1944 WeakPolarHBondContact O-CB 3.41Å; I1941-K1944 PolarHBondContact O-N 2.79Å; I1941-L1945 HydrophobicContact CG2-CD1 4.44Å; I1941-L1945 PolarHBondContact O-N 2.84Å
1942	R	37.4	Very low	44	Very low	181 Å²	181	125.9 Å²	125.9	68%	0.683	61%	0.606	S	S	*	*	H	α-helix	trans	-68.4	-30.4	179.7	-150.9	166.3	-167.3	156	-0.3	111.3	L1938 I1939 K1944 L1945	L1938-R1942 WeakPolarHBondContact O-CB 3.29Å; L1938-R1942 PolarHBondContact O-N 3.45Å; I1939-R1942 PolarHBondContact O-N 2.63Å; R1942-K1944 VanDerWaalsContact C-N 3.26Å; R1942-K1944 PolarHBondContact O-N 2.71Å; R1942-L1945 PolarHBondContact O-N 3.11Å
1943	A	37.9	Very low	42.5	Very low	83 Å²	83	128.7 Å²	128.7	69%	0.686	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-20.4	167.4	0	0	0	0	0	114	I1939 I1941	I1939-A1943 WeakPolarHBondContact O-CB 3.4Å; I1939-A1943 PolarHBondContact O-N 2.81Å; I1941-A1943 VanDerWaalsContact C-N 3.31Å; I1941-A1943 PolarHBondContact O-N 2.73Å
1944	K	39.4	Very low	40.9	Very low	171 Å²	171	132 Å²	132	74%	0.743	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-1.7	176.3	-68.4	171.9	-176.2	169.6	0	113.5	R1940 I1941 R1942	R1940-K1944 WeakPolarHBondContact O-CD 3.44Å; R1940-K1944 WeakPolarHBondContact O-CG 3.4Å; I1941-K1944 WeakPolarHBondContact O-CA 3.36Å; I1941-K1944 WeakPolarHBondContact O-CB 3.41Å; I1941-K1944 PolarHBondContact O-N 2.79Å; R1942-K1944 VanDerWaalsContact C-N 3.26Å; R1942-K1944 PolarHBondContact O-N 2.71Å
1945	L	30.4	Very low	39.2	Very low	142 Å²	142	139 Å²	139	74%	0.743	67%	0.672	S	S	*	*	S	Bend	trans	-129.8	60.9	-175.7	-73.3	172	0	0	0	112.5	I1941 R1942	I1941-L1945 HydrophobicContact CG2-CD1 4.44Å; I1941-L1945 PolarHBondContact O-N 2.84Å; R1942-L1945 PolarHBondContact O-N 3.11Å
1946	R	29	Very low	37.9	Very low	237 Å²	237	140.7 Å²	140.7	89%	0.894	70%	0.695	S	S	*	*			trans	-145	84.7	175.9	-151.4	179.3	-157.1	-170.8	8.5	114.6
1947	E	31.9	Very low	36.3	Very low	188 Å²	188	139.7 Å²	139.7	88%	0.879	70%	0.701	S	S	*	*			trans	-143	155.1	163.6	-109	-152.6	-137	0	0	110.5
1948	P	37	Very low	35.2	Very low	92 Å²	92	140 Å²	140	60%	0.597	71%	0.713	S	S	*	*				-139	155.8	-105.1	39.3	-22.4	0	0	0	118.1
1949	L	24.5	Very low	33.9	Very low	162 Å²	162	140.4 Å²	140.4	85%	0.848	72%	0.724	S	S	*	*			trans	66.9	171.3	150.8	-66	163.6	0	0	0	117.6
1950	P	32.4	Very low	32.6	Very low	100 Å²	100	142.5 Å²	142.5	65%	0.649	73%	0.729	S	S	*	*			cis	-138.2	162	-46.4	37.6	-22.5	0	0	0	115.9
1951	K	26.8	Very low	31.8	Very low	186 Å²	186	138 Å²	138	81%	0.809	72%	0.717	S	S	*	*			trans	65.4	114.4	141.4	-74.5	-178.5	179.2	-174	0	122.1
1952	N	30.3	Very low	30.6	Very low	140 Å²	140	139.7 Å²	139.7	75%	0.749	72%	0.721	S	S	*	*				103.7	118.9	125.2	-74.6	36.8	0	0	0	121.9
1953	T	29.8	Very low	30.1	Very low	129 Å²	129	135.9 Å²	135.9	79%	0.791	71%	0.714	S	S	*	*			trans	99	132.1	141.7	-6.3	0	0	0	0	120.6
1954	I	30.2	Very low	29.6	Very low	137 Å²	137	135.9 Å²	135.9	70%	0.703	70%	0.703	S	S	*	*			trans	94.5	97.5	159.3	-54.1	-177.3	0	0	0	117.5
1955	Q	27.7	Very low	29.1	Very low	180 Å²	180	134 Å²	134	84%	0.841	70%	0.701	S	S	*	*			trans	46.2	114.7	136.1	-59.6	170.7	-45.6	0	0	120
1956	A	29.8	Very low	29	Very low	83 Å²	83	134.6 Å²	134.6	69%	0.686	70%	0.701	S	S	*	*				152.4	116.4	100.5	0	0	0	0	0	114.3
1957	I	23	Very low	28.8	Very low	155 Å²	155	129.3 Å²	129.3	80%	0.795	69%	0.691	S	S	*	*			trans	65.7	138.2	145.7	-55.3	169.6	0	0	0	117.7
1958	P	34.4	Very low	28.5	Very low	111 Å²	111	127 Å²	127	72%	0.721	69%	0.685	S	S	*	*			cis	-123.5	-159.5	-7.7	38.8	-20.3	0	0	0	113.9
1959	S	26.4	Very low	28	Very low	98 Å²	98	129.9 Å²	129.9	69%	0.685	70%	0.695	S	S	*	*			trans	81.4	111.8	154.1	70.2	0	0	0	0	122.6
1960	F	25.8	Very low	28.6	Very low	161 Å²	161	126.6 Å²	126.6	71%	0.706	68%	0.684	S	S	*	*				65.2	126.2	126.3	-85.4	-115.6	0	0	0	121.4	I1195	I1195-F1960 HydrophobicContact CB-CD1 4.48Å; I1195-F1960 HydrophobicContact CD1-CD1 3.88Å; I1195-F1960 HydrophobicContact CD1-CE1 4.05Å; I1195-F1960 HydrophobicContact CG1-CD1 4.37Å; I1195-F1960 HydrophobicContact CG2-CD1 3.39Å; I1195-F1960 HydrophobicContact CG2-CE1 3.63Å; I1195-F1960 HydrophobicContact CG2-CG 4.47Å
1961	D	29.8	Very low	28.2	Very low	67 Å²	67	128.3 Å²	128.3	36%	0.358	69%	0.687	S	S	.	*				157.9	158.3	123.7	-71.8	-23.4	0	0	0	120.1	N1194 I1195 K1196 N1963	N1194-D1961 HydrophobicContact CB-CB 3.99Å; N1194-D1961 VanDerWaalsContact CG-OD2 3.29Å; N1194-D1961 VanDerWaalsContact ND2-CG 3.34Å; N1194-D1961 PolarHBondContact ND2-OD2 2.95Å; I1195-D1961 VanDerWaalsContact CG1-OD1 3.28Å; I1195-D1961 WeakPolarHBondContact CG1-OD1 3.47Å; K1196-D1961 CarbonylContact O-C 3.43Å; D1961-N1963 PolarHBondContact O-N 3.5Å; D1961-N1963 VanDerWaalsContact O-N 3.1Å
1962	F	28.4	Very low	28.2	Very low	130 Å²	130	127.4 Å²	127.4	57%	0.57	69%	0.685	S	S	*	*			trans	-42.4	100.3	-165.7	-96.4	115.2	0	0	0	115.1	N1194 I1195 K1196	N1194-F1962 WeakPolarHBondContact O-CD1 3.43Å; N1194-F1962 WeakPolarHBondContact O-CE1 3.43Å; I1195-F1962 VanDerWaalsContact C-CE1 3.48Å; I1195-F1962 VanDerWaalsContact N-N 3.17Å; I1195-F1962 WeakPolarHBondContact O-CD1 3.46Å; I1195-F1962 WeakPolarHBondContact O-CE1 3.5Å; I1195-F1962 WeakPolarHBondContact O-CZ 3.24Å; K1196-F1962 HydrophobicContact CB-CB 4.23Å; K1196-F1962 HydrophobicContact CB-CD2 3.25Å; K1196-F1962 HydrophobicContact CB-CE2 3.6Å; K1196-F1962 HydrophobicContact CB-CG 3.8Å; K1196-F1962 HydrophobicContact CB-CZ 4.49Å; K1196-F1962 HydrophobicContact CD-CD2 3.77Å; K1196-F1962 HydrophobicContact CD-CE2 3.67Å; K1196-F1962 HydrophobicContact CG-CD2 3.63Å; K1196-F1962 HydrophobicContact CG-CE2 3.44Å; K1196-F1962 VanDerWaalsContact CG-CE2 3.44Å; K1196-F1962 HydrophobicContact CG-CZ 4.37Å
1963	N	27.2	Very low	28.2	Very low	101 Å²	101	127.9 Å²	127.9	54%	0.54	68%	0.683	S	S	.	*			trans	-90.7	155.2	148.8	-177.9	90.5	0	0	0	109.8	K1196 D1961	K1196-N1963 VanDerWaalsContact CB-O 3.28Å; K1196-N1963 WeakPolarHBondContact CB-O 3.42Å; K1196-N1963 WeakPolarHBondContact CD-O 3.26Å; D1961-N1963 PolarHBondContact O-N 3.5Å; D1961-N1963 VanDerWaalsContact O-N 3.1Å
1964	D	27.7	Very low	28.1	Very low	83 Å²	83	127.7 Å²	127.7	44%	0.444	68%	0.677	S	S	.	*			trans	155.8	169.1	143.4	-83.6	16	0	0	0	111.7	K1196 T1197	K1196-D1964 HydrophobicContact CD-CB 3.94Å; K1196-D1964 WeakPolarHBondContact CD-OD2 3.3Å; K1196-D1964 WeakPolarHBondContact CE-OD2 3.19Å; K1196-D1964 IonicContact NZ-OD2 2.61Å; K1196-D1964 PolarHBondContact NZ-OD2 3.4Å; T1197-D1964 WeakPolarHBondContact CB-OD1 3.25Å; T1197-D1964 VanDerWaalsContact OG1-CG 3.23Å; T1197-D1964 PolarHBondContact OG1-OD1 3.22Å; T1197-D1964 PolarHBondContact OG1-OD2 3.29Å
1965	N	29	Very low	28.2	Very low	132 Å²	132	127 Å²	127	71%	0.706	68%	0.675	S	S	*	*			trans	-167.2	138	-175.7	175.8	59.5	0	0	0	110.4
1966	M	27.7	Very low	28.4	Very low	154 Å²	154	125.9 Å²	125.9	76%	0.759	67%	0.67	S	S	*	*			trans	69.7	146.9	164.8	-71.9	176.4	178.2	0	0	121.8
1967	N	25.4	Very low	28.5	Very low	126 Å²	126	129.3 Å²	129.3	67%	0.674	67%	0.671	S	S	*	*			trans	68.4	140.6	144.2	-94.7	52.9	0	0	0	123.9
1968	D	24.8	Very low	28.8	Very low	141 Å²	141	127.1 Å²	127.1	75%	0.754	66%	0.658	S	S	*	*			trans	68	134.6	149	-52.9	-33.2	0	0	0	121
1969	N	27.4	Very low	28.7	Very low	152 Å²	152	124.9 Å²	124.9	81%	0.813	64%	0.64	S	S	*	*			trans	-81	169	170.7	-136.3	24.7	0	0	0	109.9
1970	P	36.1	Very low	28.8	Very low	93 Å²	93	122.5 Å²	122.5	60%	0.604	63%	0.626	S	S	*	*			cis	-136.4	-179.8	-0.7	44.7	-28.2	0	0	0	115.8
1971	D	25.4	Very low	29.1	Very low	136 Å²	136	121.5 Å²	121.5	73%	0.727	63%	0.628	S	S	*	*			trans	61.6	130.2	146.4	-58.6	-23.4	0	0	0	125.3
1972	H	26.3	Very low	29.1	Very low	166 Å²	166	125 Å²	125	77%	0.769	64%	0.642	S	S	*	*			trans	78.5	141	145	-94.9	-88.1	0	0	0	124.3
1973	H	29.9	Very low	29.3	Very low	150 Å²	150	123.6 Å²	123.6	69%	0.694	64%	0.64	S	S	*	*			trans	86.3	108.1	158.2	-73.7	-58.8	0	0	0	123.2
1974	N	28.3	Very low	29.4	Very low	125 Å²	125	126.8 Å²	126.8	67%	0.668	65%	0.649	S	S	*	*				53.8	116.7	122.8	-72.7	-15.9	0	0	0	121.2
1975	N	31.7	Very low	29.6	Very low	122 Å²	122	126.9 Å²	126.9	65%	0.652	66%	0.656	S	S	*	*				176.5	139.6	86	-99.2	-45.1	0	0	0	116.7
1976	Q	32.7	Very low	29.8	Very low	158 Å²	158	130.2 Å²	130.2	74%	0.738	66%	0.664	S	S	*	*			trans	66	96.8	134.1	-65.1	165.1	13.1	0	0	123.1
1977	H	31.7	Very low	30	Very low	155 Å²	155	128 Å²	128	72%	0.718	66%	0.659	S	S	*	*				47.8	126.6	108.3	-78.8	-112.2	0	0	0	123.3
1978	Q	28.8	Very low	30.1	Very low	109 Å²	109	132 Å²	132	51%	0.509	67%	0.671	S	S	.	*				65.4	152.5	129.7	-61.9	-172.3	8.2	0	0	120.2	H1174	H1174-Q1978 VanDerWaalsContact CE1-CA 3.48Å; H1174-Q1978 WeakPolarHBondContact CE1-CA 3.38Å; H1174-Q1978 PolarHBondContact CE1-N 3.15Å; H1174-Q1978 VanDerWaalsContact CE1-N 3.31Å; H1174-Q1978 WeakPolarHBondContact NE2-CA 3.48Å; H1174-Q1978 PolarHBondContact NE2-N 3.01Å
1979	N	31.7	Very low	30.4	Very low	64 Å²	64	130.1 Å²	130.1	34%	0.342	67%	0.669	S	S	.	*			cis	-145.4	173.9	-7.1	-124	20.3	0	0	0	110.1	H1174 N1175 Q1176	H1174-N1979 VanDerWaalsContact CD2-C 3.41Å; H1174-N1979 WeakPolarHBondContact CD2-CA 3.08Å; N1175-N1979 WeakPolarHBondContact CB-OD1 3.09Å; N1175-N1979 PolarHBondContact ND2-OD1 2.72Å; Q1176-N1979 PolarHBondContact OE1-ND2 3.09Å
1980	A	29.1	Very low	30.4	Very low	48 Å²	48	129 Å²	129	40%	0.397	67%	0.667	S	S	.	*			trans	-79.5	176.7	-168.9	0	0	0	0	0	117.4	H1174 N1175	H1174-A1980 HydrophobicContact CB-CB 3.76Å; N1175-A1980 WeakPolarHBondContact O-CB 3.28Å
1981	N	31.3	Very low	30.1	Very low	139 Å²	139	132 Å²	132	74%	0.743	68%	0.678	S	S	*	*			trans	103.2	162.4	132	-133.3	-27	0	0	0	120.2
1982	E	30.2	Very low	30.8	Very low	140 Å²	140	130.5 Å²	130.5	65%	0.654	68%	0.679	S	S	*	*			trans	90.4	87	155.7	-69	-104.8	118.7	0	0	121.8
1983	L	32	Very low	31.1	Very low	102 Å²	102	132.2 Å²	132.2	53%	0.534	68%	0.684	S	S	.	*				82.1	177.8	114.4	-60.6	-150.3	0	0	0	122.1
1984	K	29	Very low	31.5	Very low	167 Å²	167	130.4 Å²	130.4	73%	0.726	69%	0.688	S	S	*	*			cis	-170	159.5	-43.1	-92.7	-175.2	-166.9	111.2	0	104.2
1985	S	32.2	Very low	31.6	Very low	85 Å²	85	130 Å²	130	59%	0.594	69%	0.69	S	S	*	*			cis	-165.3	-155	-24.4	63.8	0	0	0	0	105.5
1986	K	33.9	Very low	31.4	Very low	203 Å²	203	132.3 Å²	132.3	88%	0.883	70%	0.697	S	S	*	*			trans	-138.8	71.2	163.2	-100.9	175.3	-174.7	157.8	0	111.3
1987	T	31.3	Very low	31	Very low	106 Å²	106	128.2 Å²	128.2	65%	0.65	69%	0.686	S	S	*	*				61.3	110.3	89.1	71.3	0	0	0	0	116.6
1988	K	27.8	Very low	30.8	Very low	210 Å²	210	127.4 Å²	127.4	91%	0.913	69%	0.686	S	S	*	*			trans	-161.6	149.3	132.3	-94.3	176.6	-168.9	163.3	0	108.1
1989	S	32	Very low	30.8	Very low	103 Å²	103	129.6 Å²	129.6	72%	0.72	70%	0.7	S	S	*	*			cis	-164.3	90.2	-24.1	176.4	0	0	0	0	112
1990	V	27.6	Very low	30.4	Very low	127 Å²	127	131.8 Å²	131.8	77%	0.77	71%	0.712	S	S	*	*			trans	4.9	126.8	141.1	-177.2	0	0	0	0	117.4
1991	N	29.4	Very low	30.3	Very low	157 Å²	157	133.8 Å²	133.8	84%	0.84	72%	0.723	S	S	*	*			trans	-166.3	144.3	130.3	-116.2	-80.1	0	0	0	115.8
1992	S	38.8	Very low	30.1	Very low	105 Å²	105	136 Å²	136	73%	0.734	73%	0.726	S	S	*	*			trans	-100.9	119.1	-170.7	58.7	0	0	0	0	115
1993	K	34.3	Very low	30.2	Very low	201 Å²	201	135.4 Å²	135.4	87%	0.874	73%	0.727	S	S	*	*			trans	-152.7	127.1	155.1	-66.6	179.2	-169.8	149.4	0	106.9
1994	S	37.7	Very low	29.9	Very low	112 Å²	112	137.3 Å²	137.3	78%	0.783	73%	0.733	S	S	*	*			cis	78.1	131.9	20.7	-157.1	0	0	0	0	116.5
1995	V	29.4	Very low	30	Very low	118 Å²	118	135.2 Å²	135.2	72%	0.715	73%	0.73	S	S	*	*			trans	80	129	174.7	-175.7	0	0	0	0	116.9
1996	Q	28.1	Very low	29.9	Very low	170 Å²	170	137.7 Å²	137.7	79%	0.794	74%	0.737	S	S	*	*			trans	66.9	95.2	173.1	-72.6	170.4	-57.9	0	0	115.1
1997	S	24.4	Very low	29.6	Very low	72 Å²	72	134.9 Å²	134.9	50%	0.503	73%	0.73	S	S	.	*				65.5	88.5	77.2	79.9	0	0	0	0	113.3
1998	N	27.7	Very low	29.3	Very low	137 Å²	137	138.7 Å²	138.7	73%	0.733	74%	0.738	S	S	*	*				-111	142.2	87.7	-70	-36.5	0	0	0	106.6	N2000	N1998-N2000 HydrophobicContact CB-CB 4.18Å
1999	I	28.9	Very low	29.1	Very low	155 Å²	155	137 Å²	137	80%	0.795	73%	0.732	S	S	*	*			cis	46.8	61.5	2.4	-45.4	-176.3	0	0	0	112.3
2000	N	24.4	Very low	28.7	Very low	110 Å²	110	138.2 Å²	138.2	59%	0.588	73%	0.731	S	S	*	*			trans	-127.6	127.1	144.1	-113.5	-40.3	0	0	0	106.3	N1998	N1998-N2000 HydrophobicContact CB-CB 4.18Å
2001	S	25.7	Very low	28.6	Very low	91 Å²	91	136 Å²	136	64%	0.636	72%	0.721	S	S	*	*				40.8	111.3	118.2	-51.9	0	0	0	0	115.8
2002	K	28.2	Very low	28.8	Very low	185 Å²	185	134.8 Å²	134.8	80%	0.804	72%	0.715	S	S	*	*			cis	-169.5	178.4	18.9	-82.4	173.1	-166.6	166.4	0	106.7
2003	N	31.8	Very low	28.6	Very low	127 Å²	127	136.3 Å²	136.3	68%	0.679	72%	0.715	S	S	*	*			cis	-150.4	167.6	-10.9	-117.8	16.3	0	0	0	105.2
2004	Q	25.9	Very low	28.7	Very low	142 Å²	142	136.1 Å²	136.1	66%	0.664	71%	0.714	S	S	*	*			cis	71.3	90.3	20.4	-84	-160.4	-1.5	0	0	118.2
2005	N	31.5	Very low	28.2	Very low	124 Å²	124	138.2 Å²	138.2	66%	0.663	71%	0.711	S	S	*	*			trans	78.2	143.5	144.4	-30	-51.8	0	0	0	119.2
2006	N	30.1	Very low	28	Very low	136 Å²	136	139.6 Å²	139.6	73%	0.727	71%	0.71	S	S	*	*			trans	65.7	115.2	134.4	-74.9	-20.5	0	0	0	120.2
2007	I	26.6	Very low	27.9	Very low	144 Å²	144	138.6 Å²	138.6	74%	0.738	71%	0.71	S	S	*	*			trans	73.8	98.8	131.2	-56.4	167.6	0	0	0	115.5
2008	K	24.7	Very low	28.1	Very low	187 Å²	187	138.9 Å²	138.9	81%	0.813	72%	0.724	S	S	*	*			trans	49.5	82.8	142.7	-58	-161.8	176.6	-153.1	0	116.3
2009	H	24	Very low	28.1	Very low	174 Å²	174	136 Å²	136	81%	0.806	73%	0.726	S	S	*	*				-139.5	129.5	106.6	-92.5	-81.6	0	0	0	105.2
2010	N	23.3	Very low	28.2	Very low	129 Å²	129	135.5 Å²	135.5	69%	0.69	73%	0.725	S	S	*	*			cis	54.4	98.3	36.4	-164	64.2	0	0	0	113
2011	S	26.4	Very low	28.3	Very low	80 Å²	80	137 Å²	137	56%	0.559	73%	0.729	S	S	*	*			trans	72.1	137.1	156.4	-70.9	0	0	0	0	117.1
2012	N	32.9	Very low	28.5	Very low	132 Å²	132	138.9 Å²	138.9	71%	0.706	73%	0.732	S	S	*	*	S	Bend	cis	-150.6	147.9	3.8	-92	-8.4	0	0	0	107.8
2013	N	35.3	Very low	28.5	Very low	137 Å²	137	133.5 Å²	133.5	73%	0.733	72%	0.718	S	S	*	*	S	Bend	cis	-143.7	144.2	-6.8	-83.1	-11.9	0	0	0	106.7
2014	K	36	Very low	28.4	Very low	197 Å²	197	135.7 Å²	135.7	86%	0.857	72%	0.721	S	S	*	*			cis	-140.7	-178.5	-36.6	-142	177.3	177.6	-171.3	0	106
2015	Q	27.1	Very low	28.8	Very low	156 Å²	156	137.3 Å²	137.3	73%	0.729	73%	0.726	S	S	*	*			trans	-147.1	152.2	-147.6	-104.9	176.4	-87	0	0	119.5
2016	E	24.9	Very low	28.5	Very low	147 Å²	147	137.1 Å²	137.1	69%	0.687	73%	0.729	S	S	*	*			trans	76.2	122.4	146.2	-70	179.5	-176.2	0	0	119.3
2017	N	26.7	Very low	28.2	Very low	148 Å²	148	133.1 Å²	133.1	79%	0.791	71%	0.712	S	S	*	*				59.7	132.3	92.5	-61.9	-38.1	0	0	0	113.6
2018	G	27.2	Very low	28.3	Very low	79 Å²	79	129.5 Å²	129.5	81%	0.814	69%	0.691	S	S	*	*			cis	84.6	133.4	34.4	0	0	0	0	0	111.4
2019	G	28	Very low	28.7	Very low	75 Å²	75	126.7 Å²	126.7	77%	0.773	68%	0.681	S	S	*	*			cis	151.9	150.3	-2.6	0	0	0	0	0	112.7
2020	N	31.1	Very low	29.1	Very low	145 Å²	145	121.1 Å²	121.1	78%	0.775	67%	0.67	S	S	*	*			trans	75.6	155.3	142.7	-154.3	-4.5	0	0	0	121.7
2021	Q	27.6	Very low	29.9	Very low	143 Å²	143	121.3 Å²	121.3	67%	0.668	67%	0.67	S	S	*	*			trans	76.1	125.1	160.1	-43.1	-172.5	-3.8	0	0	118
2022	N	28.4	Very low	30.8	Very low	129 Å²	129	125.5 Å²	125.5	69%	0.69	68%	0.678	S	S	*	*				-172.9	167.6	56.4	-81.4	-91.8	0	0	0	110.7
2023	S	28.9	Very low	31	Very low	73 Å²	73	123.4 Å²	123.4	51%	0.51	67%	0.674	S	S	.	*			cis	174.4	153.1	-27	71.5	0	0	0	0	111
2024	K	30.5	Very low	31.2	Very low	173 Å²	173	123.6 Å²	123.6	75%	0.752	68%	0.68	S	S	*	*			trans	72.4	142	146.2	-73.5	171.6	-177.1	61.6	0	121.1
2025	K	33.2	Very low	31.3	Very low	176 Å²	176	115.5 Å²	115.5	77%	0.765	65%	0.653	S	S	*	*			trans	97.7	121.1	139	-84.4	161.8	124.4	-68.4	0	119.2
2026	T	25.6	Very low	31.6	Very low	119 Å²	119	109.2 Å²	109.2	73%	0.73	63%	0.626	S	S	*	*			trans	-59.6	173.8	150.1	53	0	0	0	0	113.1
2027	S	24.6	Very low	31.7	Very low	52 Å²	52	102.7 Å²	102.7	36%	0.364	60%	0.596	S	S	.	*			trans	90.7	78.1	169.3	68.2	0	0	0	0	118.6	D2236	S2027-D2236 WeakPolarHBondContact CB-O 3.21Å
2028	K	28.8	Very low	32.1	Very low	68 Å²	68	98.8 Å²	98.8	30%	0.296	58%	0.581	S	S	.	*				66.7	171.6	127.4	-171.7	-95.3	-130.9	163	0	119.5	D2236 D2238	K2028-D2236 HydrophobicContact CB-CB 4.09Å; K2028-D2236 HydrophobicContact CD-CB 4.14Å; K2028-D2236 IonicContact NZ-OD1 3.77Å; K2028-D2236 PolarHBondContact NZ-OD1 2.73Å; K2028-D2238 WeakPolarHBondContact CD-OD2 3.22Å; K2028-D2238 WeakPolarHBondContact CE-OD2 3.49Å; K2028-D2238 HydrophobicContact CG-CB 4.06Å; K2028-D2238 VanDerWaalsContact CG-OD2 3.3Å; K2028-D2238 WeakPolarHBondContact CG-OD2 3.35Å
2029	E	31.3	Very low	32.4	Very low	128 Å²	128	102.1 Å²	102.1	60%	0.598	58%	0.579	S	S	*	*			trans	81.1	21	170.9	-126.3	157.3	-108.4	0	0	116.2	I2031	E2029-I2031 WeakPolarHBondContact O-CD1 3.44Å; E2029-I2031 WeakPolarHBondContact O-CG1 3.4Å
2030	G	33.3	Very low	32.6	Very low	57 Å²	57	105 Å²	105	59%	0.588	57%	0.57	S	S	*	*			trans	44.9	-129.5	137	0	0	0	0	0	118.2
2031	I	39.2	Very low	33	Very low	134 Å²	134	104.1 Å²	104.1	69%	0.687	56%	0.562	S	S	*	*			trans	67.9	74	175.3	-49.6	168.1	0	0	0	112.3	E2029	E2029-I2031 WeakPolarHBondContact O-CD1 3.44Å; E2029-I2031 WeakPolarHBondContact O-CG1 3.4Å
2032	K	45.6	Very low	33.7	Very low	168 Å²	168	100.7 Å²	100.7	73%	0.73	55%	0.553	S	S	*	*				162	136.2	78	-101.8	-177.1	-89.4	60.4	0	108.8
2033	S	37.7	Very low	34.3	Very low	87 Å²	87	99.9 Å²	99.9	61%	0.608	55%	0.549	S	S	*	.				84.6	144.9	68.2	89.4	0	0	0	0	117.3
2034	T	40.3	Very low	34.5	Very low	141 Å²	141	102.6 Å²	102.6	87%	0.865	55%	0.554	S	S	*	*			trans	89	111	154	56.9	0	0	0	0	120.8
2035	G	37.4	Very low	34.4	Very low	28 Å²	28	103.9 Å²	103.9	29%	0.289	56%	0.562	S	S	.	*			trans	93.3	105.5	175.8	0	0	0	0	0	109.5	I2252	G2035-I2252 WeakPolarHBondContact O-CD1 3.02Å
2036	S	32.3	Very low	34.2	Very low	23 Å²	23	97.8 Å²	97.8	16%	0.161	54%	0.536	C	S	.	.			cis	62.6	73.2	23.6	117.5	0	0	0	0	117.4	V2052 K2053 D2258 G2261	S2036-V2052 WeakPolarHBondContact O-CA 2.96Å; S2036-V2052 VanDerWaalsContact O-CG1 3.22Å; S2036-V2052 WeakPolarHBondContact O-CG1 3.4Å; S2036-K2053 PolarHBondContact O-N 2.65Å; S2036-D2258 WeakPolarHBondContact CB-OD2 3.45Å; S2036-G2261 WeakPolarHBondContact OG-CA 3.39Å
2037	P	27.9	Very low	35.3	Very low	10 Å²	10	95.3 Å²	95.3	7%	0.065	52%	0.518	C	S	.	.	B	Isolated β-bridge	trans	-147.7	101.5	-179.9	14.4	18.2	0	0	0	117.1	K2050 H2051 V2052	P2037-K2050 HydrophobicContact CB-CB 4.06Å; P2037-K2050 HydrophobicContact CB-CG 4.1Å; P2037-K2050 HydrophobicContact CG-CB 4.29Å; P2037-K2050 HydrophobicContact CG-CD 3.86Å; P2037-K2050 HydrophobicContact CG-CG 3.76Å; P2037-K2050 CarbonylContact O-C 3.56Å; P2037-K2050 VanDerWaalsContact O-CA 3.23Å; P2037-K2050 WeakPolarHBondContact O-CA 2.96Å; P2037-H2051 VanDerWaalsContact C-N 3.25Å; P2037-H2051 CarbonylContact C-O 3.32Å; P2037-H2051 WeakPolarHBondContact CA-O 3.09Å; P2037-H2051 PolarHBondContact O-N 2.84Å; P2037-V2052 HydrophobicContact CB-CB 4.12Å; P2037-V2052 HydrophobicContact CB-CG1 4.06Å; P2037-V2052 HydrophobicContact CB-CG2 4.24Å; P2037-V2052 HydrophobicContact CG-CG1 4.38Å
2038	S	34.2	Very low	35.4	Very low	66 Å²	66	92.9 Å²	92.9	46%	0.462	50%	0.501	S	S	.	.			trans	-21.9	155.3	165.5	-0.3	0	0	0	0	122.6	K2040 K2050 H2051	S2038-K2040 PolarHBondContact O-N 2.69Å; S2038-K2050 CarbonylContact O-C 3.37Å; S2038-H2051 WeakPolarHBondContact CB-O 3.12Å; S2038-H2051 PolarHBondContact N-O 3.2Å; S2038-H2051 PolarHBondContact O-N 3.47Å; S2038-H2051 PolarHBondContact OG-O 3.07Å
2039	L	33.6	Very low	35.5	Very low	150 Å²	150	90.8 Å²	90.8	79%	0.785	49%	0.493	S	S	*	.				41.1	69.6	125	-153.7	178.4	0	0	0	117.6
2040	K	31.9	Very low	35.6	Very low	134 Å²	134	87.2 Å²	87.2	58%	0.583	48%	0.476	S	S	*	.			trans	176.2	119.7	133.8	-112.7	175.2	159.3	-82	0	112.2	S2038	S2038-K2040 PolarHBondContact O-N 2.69Å
2041	Q	40	Very low	35.8	Very low	128 Å²	128	90.5 Å²	90.5	60%	0.598	48%	0.476	S	S	*	.			trans	46.6	127.8	134.8	-65.3	179.3	-99.4	0	0	119.2	D2248	Q2041-D2248 VanDerWaalsContact CA-OD2 3.3Å; Q2041-D2248 WeakPolarHBondContact CA-OD2 3.4Å; Q2041-D2248 PolarHBondContact N-OD1 3.34Å; Q2041-D2248 PolarHBondContact N-OD2 2.88Å
2042	S	42.3	Very low	35.6	Very low	70 Å²	70	87 Å²	87	49%	0.49	46%	0.46	S	S	.	.			trans	83.5	135.7	132.2	67.6	0	0	0	0	118	D2248 G2249	S2042-D2248 CarbonylContact C-O 3.58Å; S2042-D2248 PolarHBondContact N-OD2 2.99Å; S2042-G2249 WeakPolarHBondContact O-CA 3.26Å
2043	N	41	Very low	35.4	Very low	112 Å²	112	84.9 Å²	84.9	60%	0.599	45%	0.451	S	S	*	.			trans	59.8	109.8	150.1	-71.2	13.1	0	0	0	113.7	L2047 D2248	N2043-L2047 VanDerWaalsContact O-CB 3.3Å; N2043-L2047 WeakPolarHBondContact O-CB 3.37Å; N2043-D2248 CarbonylContact C-O 3.4Å; N2043-D2248 PolarHBondContact N-O 3.47Å
2044	Q	33.6	Very low	35.6	Very low	131 Å²	131	86.2 Å²	86.2	61%	0.612	45%	0.448	S	S	*	.				-174.7	-169.7	59.1	-104.6	140.7	20.3	0	0	110	Q2046 L2047	Q2044-Q2046 VanDerWaalsContact C-N 3.35Å; Q2044-Q2046 WeakPolarHBondContact O-CA 3.49Å; Q2044-Q2046 PolarHBondContact O-N 3.35Å; Q2044-L2047 HydrophobicContact CB-CB 4.33Å; Q2044-L2047 HydrophobicContact CB-CD1 4.07Å; Q2044-L2047 HydrophobicContact CB-CG 4.11Å; Q2044-L2047 PolarHBondContact O-N 3.27Å
2045	Q	29	Very low	35.3	Very low	199 Å²	199	84.6 Å²	84.6	93%	0.93	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-37.9	93.2	159	-65.8	178.8	-1.4	0	0	112.3	L2047	Q2045-L2047 PolarHBondContact O-N 3.46Å
2046	Q	28.5	Very low	34.9	Very low	48 Å²	48	89.5 Å²	89.5	22%	0.224	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	39.3	57.4	-165.1	-131.2	-171.9	-1.7	0	0	117.7	Q2044 P2048 S2244 L2245 D2246	Q2044-Q2046 VanDerWaalsContact C-N 3.35Å; Q2044-Q2046 WeakPolarHBondContact O-CA 3.49Å; Q2044-Q2046 PolarHBondContact O-N 3.35Å; Q2046-P2048 HydrophobicContact CG-CG 4.04Å; Q2046-P2048 WeakPolarHBondContact O-CD 3.01Å; Q2046-S2244 PolarHBondContact OE1-OG 3.27Å; Q2046-L2245 HydrophobicContact CB-CD2 3.59Å; Q2046-L2245 HydrophobicContact CG-CD2 3.86Å; Q2046-D2246 WeakPolarHBondContact CG-OD2 3.39Å
2047	L	47.8	Very low	34.6	Very low	67 Å²	67	92.3 Å²	92.3	35%	0.351	47%	0.466	S	S	.	.			trans	-103.3	110	141.9	-62.9	-177.1	0	0	0	107.6	N2043 Q2044 Q2045 D2248 G2249 D2250	N2043-L2047 VanDerWaalsContact O-CB 3.3Å; N2043-L2047 WeakPolarHBondContact O-CB 3.37Å; Q2044-L2047 HydrophobicContact CB-CB 4.33Å; Q2044-L2047 HydrophobicContact CB-CD1 4.07Å; Q2044-L2047 HydrophobicContact CB-CG 4.11Å; Q2044-L2047 PolarHBondContact O-N 3.27Å; Q2045-L2047 PolarHBondContact O-N 3.46Å; L2047-D2248 CarbonylContact O-C 3.59Å; L2047-G2249 VanDerWaalsContact C-CA 3.48Å; L2047-G2249 WeakPolarHBondContact O-CA 3.14Å; L2047-G2249 PolarHBondContact O-N 2.94Å; L2047-D2250 VanDerWaalsContact CD2-O 3.23Å; L2047-D2250 WeakPolarHBondContact CD2-O 3.36Å
2048	P	26.5	Very low	34.4	Very low	1 Å²	1	95.6 Å²	95.6	1%	0.006	49%	0.486	C	S	.	.			trans	-86.7	136.5	167.3	-16	8.9	0	0	0	125.9	Q2046 K2050 D2246 G2249 D2250 G2251 I2252	Q2046-P2048 HydrophobicContact CG-CG 4.04Å; Q2046-P2048 WeakPolarHBondContact O-CD 3.01Å; P2048-K2050 PolarHBondContact O-NZ 2.67Å; P2048-D2246 WeakPolarHBondContact CA-OD1 3.09Å; P2048-D2246 HydrophobicContact CB-CB 4.1Å; P2048-D2246 WeakPolarHBondContact CB-OD1 3.27Å; P2048-D2246 WeakPolarHBondContact CD-OD2 3.23Å; P2048-D2246 HydrophobicContact CG-CB 3.87Å; P2048-D2246 WeakPolarHBondContact CG-OD1 3.32Å; P2048-D2246 WeakPolarHBondContact CG-OD2 3.45Å; P2048-G2249 CarbonylContact O-C 3.35Å; P2048-G2249 VanDerWaalsContact O-C 3.31Å; P2048-D2250 VanDerWaalsContact CA-N 3.3Å; P2048-D2250 VanDerWaalsContact N-C 3.34Å; P2048-D2250 CarbonylContact O-C 3.6Å; P2048-D2250 WeakPolarHBondContact O-CA 3.24Å; P2048-D2250 PolarHBondContact O-N 3.07Å; P2048-G2251 VanDerWaalsContact CG-N 3.3Å; P2048-G2251 PolarHBondContact O-N 2.68Å; P2048-I2252 WeakPolarHBondContact CB-O 3.25Å; P2048-I2252 WeakPolarHBondContact CG-O 3.36Å
2049	I	30.9	Very low	34.2	Very low	25 Å²	25	99.8 Å²	99.8	13%	0.128	50%	0.496	C	S	.	.			trans	0.6	115	176.1	-41.8	63.6	0	0	0	118.2	D2248	I2049-D2248 WeakPolarHBondContact CA-OD1 3.3Å; I2049-D2248 HydrophobicContact CB-CB 4.09Å; I2049-D2248 HydrophobicContact CD1-CB 3.89Å; I2049-D2248 HydrophobicContact CG1-CB 3.59Å
2050	K	33.4	Very low	34.4	Very low	52 Å²	52	98.5 Å²	98.5	23%	0.226	49%	0.489	C	S	.	.			trans	-148.2	113.2	171.1	-65.2	-152.9	172.9	54.7	0	125	P2037 S2038 P2048 D2250	P2037-K2050 HydrophobicContact CB-CB 4.06Å; P2037-K2050 HydrophobicContact CB-CG 4.1Å; P2037-K2050 HydrophobicContact CG-CB 4.29Å; P2037-K2050 HydrophobicContact CG-CD 3.86Å; P2037-K2050 HydrophobicContact CG-CG 3.76Å; P2037-K2050 CarbonylContact O-C 3.56Å; P2037-K2050 VanDerWaalsContact O-CA 3.23Å; P2037-K2050 WeakPolarHBondContact O-CA 2.96Å; S2038-K2050 CarbonylContact O-C 3.37Å; P2048-K2050 PolarHBondContact O-NZ 2.67Å; K2050-D2250 HydrophobicContact CB-CB 4.3Å; K2050-D2250 HydrophobicContact CD-CB 3.64Å; K2050-D2250 VanDerWaalsContact CD-CG 3.46Å; K2050-D2250 WeakPolarHBondContact CD-OD2 3.22Å; K2050-D2250 WeakPolarHBondContact CE-OD2 3.38Å; K2050-D2250 HydrophobicContact CG-CB 3.75Å; K2050-D2250 IonicContact NZ-OD2 3.34Å; K2050-D2250 PolarHBondContact NZ-OD2 3.11Å
2051	H	37.8	Very low	34.7	Very low	127 Å²	127	98.7 Å²	98.7	59%	0.588	50%	0.496	S	S	*	.			trans	-153.2	137.7	132.8	-140.5	68.2	0	0	0	120.5	P2037 S2038	P2037-H2051 VanDerWaalsContact C-N 3.25Å; P2037-H2051 CarbonylContact C-O 3.32Å; P2037-H2051 WeakPolarHBondContact CA-O 3.09Å; P2037-H2051 PolarHBondContact O-N 2.84Å; S2038-H2051 WeakPolarHBondContact CB-O 3.12Å; S2038-H2051 PolarHBondContact N-O 3.2Å; S2038-H2051 PolarHBondContact O-N 3.47Å; S2038-H2051 PolarHBondContact OG-O 3.07Å
2052	V	36.5	Very low	35	Very low	59 Å²	59	97 Å²	97	36%	0.358	49%	0.492	S	S	.	.	B	Isolated β-bridge	trans	-92.6	143.4	-140	-140	0	0	0	0	121	S2036 P2037	S2036-V2052 WeakPolarHBondContact O-CA 2.96Å; S2036-V2052 VanDerWaalsContact O-CG1 3.22Å; S2036-V2052 WeakPolarHBondContact O-CG1 3.4Å; P2037-V2052 HydrophobicContact CB-CB 4.12Å; P2037-V2052 HydrophobicContact CB-CG1 4.06Å; P2037-V2052 HydrophobicContact CB-CG2 4.24Å; P2037-V2052 HydrophobicContact CG-CG1 4.38Å
2053	K	41.6	Very low	35	Very low	125 Å²	125	99.6 Å²	99.6	54%	0.543	49%	0.494	S	S	.	.			trans	92.8	147.8	149.3	-59.5	171.8	-108.9	66.6	0	121.6	S2036	S2036-K2053 PolarHBondContact O-N 2.65Å
2054	E	41.9	Very low	35	Very low	115 Å²	115	97.8 Å²	97.8	54%	0.537	48%	0.482	S	S	.	.			trans	60.5	109.9	131.4	-75.2	177.4	115.1	0	0	119.2	G2261	E2054-G2261 VanDerWaalsContact CA-O 3.3Å; E2054-G2261 WeakPolarHBondContact CA-O 3Å; E2054-G2261 PolarHBondContact N-O 3.34Å
2055	Q	32.6	Very low	35.1	Very low	107 Å²	107	93.3 Å²	93.3	50%	0.5	46%	0.461	S	S	.	.			trans	72.5	114.6	138.2	-53.9	156.1	39.6	0	0	116.5	N2260	Q2055-N2260 PolarHBondContact N-O 3.45Å
2056	N	30	Very low	35.6	Very low	130 Å²	130	87 Å²	87	70%	0.695	43%	0.433	S	S	*	.				-156.6	64.8	109.5	-99.4	-61.5	0	0	0	114.2	V2058	N2056-V2058 PolarHBondContact O-N 2.94Å
2057	T	24.5	Very low	35.7	Very low	83 Å²	83	89 Å²	89	51%	0.509	44%	0.439	S	S	.	.			trans	-40.5	134.4	149.3	42.2	0	0	0	0	111.5	K2059	T2057-K2059 PolarHBondContact O-N 3.49Å
2058	V	25.5	Very low	35.1	Very low	79 Å²	79	90.2 Å²	90.2	48%	0.479	44%	0.442	S	S	.	.			trans	-11.3	108.2	180	175.4	0	0	0	0	115	N2056 N2062	N2056-V2058 PolarHBondContact O-N 2.94Å; V2058-N2062 HydrophobicContact CG1-CB 4.29Å; V2058-N2062 WeakPolarHBondContact CG1-OD1 3.47Å
2059	K	29.4	Very low	35.5	Very low	154 Å²	154	98.3 Å²	98.3	67%	0.67	48%	0.484	S	S	*	.			trans	-117	95	145.4	-96	178.9	-134.7	64.5	0	113.2	T2057	T2057-K2059 PolarHBondContact O-N 3.49Å
2060	L	37.4	Very low	35.6	Very low	123 Å²	123	100.7 Å²	100.7	64%	0.644	51%	0.507	S	S	*	.	S	Bend	trans	73.5	89.7	142.5	-51.9	179.7	0	0	0	113
2061	N	38.9	Very low	35.5	Very low	138 Å²	138	106.2 Å²	106.2	74%	0.738	53%	0.534	S	S	*	.	S	Bend	cis	-157.9	139.2	11.9	-44.6	-102.8	0	0	0	107.2
2062	N	45.8	Very low	35.2	Very low	93 Å²	93	103.5 Å²	103.5	50%	0.497	53%	0.529	S	S	.	.			cis	161.4	134	5.4	-101.1	-4.2	0	0	0	100	V2058	V2058-N2062 HydrophobicContact CG1-CB 4.29Å; V2058-N2062 WeakPolarHBondContact CG1-OD1 3.47Å
2063	K	42.6	Very low	34.8	Very low	123 Å²	123	109 Å²	109	54%	0.535	55%	0.549	S	S	.	.			trans	59.6	114	139.8	-65.3	-133.1	105.4	-158.6	0	116.7
2064	Q	41.5	Very low	34.1	Very low	75 Å²	75	108.7 Å²	108.7	35%	0.35	56%	0.557	S	S	.	*				91.5	113.7	107.9	-74.4	-153.9	-60.9	0	0	120	D2272	Q2064-D2272 VanDerWaalsContact CG-O 3.27Å; Q2064-D2272 WeakPolarHBondContact CG-O 3.28Å; Q2064-D2272 PolarHBondContact NE2-O 2.96Å
2065	Q	35.5	Very low	33.9	Very low	36 Å²	36	108.6 Å²	108.6	17%	0.168	57%	0.566	C	S	.	*				93.9	150.3	100.3	-74.3	-165.8	-47.8	0	0	118.5	D2272 N2273 D2274 D2285 G2286	Q2065-D2272 VanDerWaalsContact CA-OD2 3.32Å; Q2065-D2272 WeakPolarHBondContact CA-OD2 3.32Å; Q2065-D2272 WeakPolarHBondContact CB-OD2 3.18Å; Q2065-D2272 HydrophobicContact CG-CB 4.13Å; Q2065-D2272 WeakPolarHBondContact CG-O 3.37Å; Q2065-D2272 VanDerWaalsContact CG-OD1 3.26Å; Q2065-D2272 WeakPolarHBondContact CG-OD1 3.21Å; Q2065-D2272 VanDerWaalsContact CG-OD2 3.25Å; Q2065-D2272 WeakPolarHBondContact CG-OD2 3.33Å; Q2065-D2272 PolarHBondContact NE2-O 3.01Å; Q2065-D2272 PolarHBondContact NE2-OD1 3.4Å; Q2065-N2273 VanDerWaalsContact NE2-C 3.28Å; Q2065-N2273 PolarHBondContact NE2-O 2.86Å; Q2065-D2274 VanDerWaalsContact NE2-N 3.17Å; Q2065-D2285 WeakPolarHBondContact CA-O 3.41Å; Q2065-D2285 PolarHBondContact N-O 2.86Å; Q2065-G2286 VanDerWaalsContact C-C 3.42Å; Q2065-G2286 CarbonylContact C-O 3.54Å; Q2065-G2286 VanDerWaalsContact O-O 3.09Å
2066	N	38.8	Very low	33.7	Very low	66 Å²	66	110.2 Å²	110.2	35%	0.353	58%	0.578	S	S	.	*			trans	90.9	78.7	154.4	-46.6	-80.7	0	0	0	116.8	K2068 D2272 G2286	N2066-K2068 HydrophobicContact CB-CB 4Å; N2066-K2068 HydrophobicContact CB-CD 3.92Å; N2066-K2068 HydrophobicContact CB-CG 3.76Å; N2066-K2068 PolarHBondContact O-N 2.96Å; N2066-K2068 WeakPolarHBondContact OD1-CD 3.27Å; N2066-K2068 WeakPolarHBondContact OD1-CE 3.29Å; N2066-K2068 PolarHBondContact OD1-NZ 2.91Å; N2066-D2272 PolarHBondContact N-OD2 2.77Å; N2066-G2286 CarbonylContact C-O 3.18Å; N2066-G2286 WeakPolarHBondContact CA-O 3.23Å; N2066-G2286 VanDerWaalsContact N-CA 3.34Å; N2066-G2286 PolarHBondContact N-O 3.22Å
2067	R	31.1	Very low	33.7	Very low	91 Å²	91	111.1 Å²	111.1	34%	0.343	58%	0.578	S	S	.	*			trans	-62.1	65.4	139.4	-178.2	140.5	-79.1	-169.9	-6.8	112.2	S2282 D2283 G2286 G2288	R2067-S2282 PolarHBondContact NH1-O 3.45Å; R2067-D2283 HydrophobicContact CB-CB 3.63Å; R2067-D2283 WeakPolarHBondContact CB-OD2 3.17Å; R2067-D2283 VanDerWaalsContact CD-CB 3.42Å; R2067-D2283 WeakPolarHBondContact CD-OD2 3.41Å; R2067-D2283 HydrophobicContact CG-CB 4.1Å; R2067-D2283 IonicContact CZ-OD2 3.13Å; R2067-D2283 VanDerWaalsContact NE-CB 3.35Å; R2067-D2283 IonicContact NE-OD2 2.73Å; R2067-D2283 PolarHBondContact NE-OD2 2.59Å; R2067-D2283 IonicContact NH2-OD2 3.34Å; R2067-D2283 PolarHBondContact NH2-OD2 3.26Å; R2067-G2286 PolarHBondContact N-O 2.63Å; R2067-G2288 VanDerWaalsContact NH2-C 3.32Å; R2067-G2288 PolarHBondContact NH2-O 3.42Å
2068	K	35.5	Very low	34	Very low	93 Å²	93	112.7 Å²	112.7	40%	0.404	58%	0.584	S	S	.	*			trans	-108.7	121.5	-178.5	-73	-172.5	177.5	52.7	0	111.9	N2066 D2274	N2066-K2068 HydrophobicContact CB-CB 4Å; N2066-K2068 HydrophobicContact CB-CD 3.92Å; N2066-K2068 HydrophobicContact CB-CG 3.76Å; N2066-K2068 PolarHBondContact O-N 2.96Å; N2066-K2068 WeakPolarHBondContact OD1-CD 3.27Å; N2066-K2068 WeakPolarHBondContact OD1-CE 3.29Å; N2066-K2068 PolarHBondContact OD1-NZ 2.91Å; K2068-D2274 WeakPolarHBondContact CE-OD2 3.35Å; K2068-D2274 IonicContact NZ-OD2 3.31Å; K2068-D2274 PolarHBondContact NZ-OD2 3.31Å
2069	L	34.4	Very low	34.2	Very low	171 Å²	171	114.8 Å²	114.8	90%	0.895	60%	0.597	S	S	*	*				152.3	148.3	116.8	-78.2	144.8	0	0	0	109.8
2070	A	32.6	Very low	34.3	Very low	74 Å²	74	114.3 Å²	114.3	61%	0.612	60%	0.602	S	S	*	*			cis	175	-179.4	-23.5	0	0	0	0	0	107.6
2071	E	32	Very low	33.8	Very low	168 Å²	168	112.4 Å²	112.4	79%	0.785	60%	0.599	S	S	*	*				158.3	152.3	111.7	-84.8	-143.7	-166.4	0	0	113
2072	S	31.2	Very low	33.2	Very low	71 Å²	71	113.9 Å²	113.9	50%	0.497	60%	0.599	S	S	.	*			cis	-174.1	176	-22.4	55.1	0	0	0	0	111.1
2073	F	28.6	Very low	32.3	Very low	175 Å²	175	118.6 Å²	118.6	77%	0.768	61%	0.611	S	S	*	*			trans	71.5	120.9	172.7	-54.7	-79.5	0	0	0	119
2074	T	27.5	Very low	31.7	Very low	118 Å²	118	117 Å²	117	72%	0.724	62%	0.615	S	S	*	*			cis	93.8	162.9	20.8	80.4	0	0	0	0	116.2
2075	P	37.6	Very low	31.2	Very low	112 Å²	112	120.4 Å²	120.4	73%	0.727	64%	0.635	S	S	*	*			cis	-144.4	-178.1	-45.8	36.2	-15.9	0	0	0	117.1
2076	N	27.4	Very low	30.8	Very low	141 Å²	141	123.7 Å²	123.7	75%	0.754	65%	0.654	S	S	*	*				117	152.7	125.2	-140.2	4.7	0	0	0	124.3
2077	E	29.7	Very low	30.2	Very low	149 Å²	149	127.5 Å²	127.5	70%	0.696	67%	0.669	S	S	*	*			trans	71.6	139.6	163.9	-73.8	-172.4	-148.7	0	0	120.3
2078	N	32.1	Very low	29.9	Very low	117 Å²	117	129.8 Å²	129.8	63%	0.626	69%	0.688	S	S	*	*			cis	-169.1	149.1	26.3	-127.6	-33.1	0	0	0	117.1
2079	T	29.6	Very low	29.5	Very low	122 Å²	122	132.5 Å²	132.5	75%	0.748	71%	0.706	S	S	*	*			trans	61.5	151.5	156.6	60.7	0	0	0	0	120.7
2080	D	30.6	Very low	29.1	Very low	144 Å²	144	131 Å²	131	77%	0.77	70%	0.698	S	S	*	*			cis	-163.4	161.5	20.6	-147.3	2.1	0	0	0	111
2081	S	26.7	Very low	28.7	Very low	83 Å²	83	134.3 Å²	134.3	58%	0.58	71%	0.705	S	S	*	*				-158.2	159.1	-69.7	61.8	0	0	0	0	113.7
2082	F	25.5	Very low	28.4	Very low	169 Å²	169	132.7 Å²	132.7	74%	0.741	70%	0.702	S	S	*	*			trans	64.5	157.6	163.8	-77.6	-78.9	0	0	0	120.1
2083	Y	27.8	Very low	28.2	Very low	193 Å²	193	135.7 Å²	135.7	76%	0.757	71%	0.711	S	S	*	*			cis	-159.3	153.1	17.3	-129.5	-59.5	0	0	0	112.9
2084	S	29.3	Very low	28	Very low	89 Å²	89	135.1 Å²	135.1	62%	0.622	71%	0.71	S	S	*	*			trans	72	126.4	148.6	-149.8	0	0	0	0	117.3
2085	L	31.4	Very low	27.8	Very low	147 Å²	147	136 Å²	136	77%	0.77	71%	0.71	S	S	*	*			cis	-140.4	164.9	22.9	-71.8	165.4	0	0	0	110
2086	N	28.3	Very low	27.2	Very low	104 Å²	104	138.5 Å²	138.5	56%	0.556	71%	0.714	S	S	*	*			cis	176	164.6	-23.1	-98.3	18.7	0	0	0	105.5
2087	E	26.6	Very low	27.2	Very low	146 Å²	146	138.2 Å²	138.2	68%	0.682	71%	0.713	S	S	*	*			cis	-161.5	144	-4.5	-117.1	159.3	164.7	0	0	109
2088	D	23.3	Very low	27.1	Very low	139 Å²	139	138.7 Å²	138.7	74%	0.743	72%	0.715	S	S	*	*			trans	33	141	138.8	-51.9	-0.5	0	0	0	123.6
2089	I	27.2	Very low	26.8	Very low	151 Å²	151	139.4 Å²	139.4	77%	0.774	72%	0.718	S	S	*	*				179.5	113.8	103.4	-91.1	171	0	0	0	115.4
2090	L	25.5	Very low	26.9	Very low	139 Å²	139	140.9 Å²	140.9	73%	0.728	72%	0.722	S	S	*	*			trans	50.3	123.6	134.1	-49	-179.6	0	0	0	126.3
2091	L	25.5	Very low	26.6	Very low	143 Å²	143	139.5 Å²	139.5	75%	0.749	71%	0.714	S	S	*	*				51.4	124.4	115.9	-57.8	177	0	0	0	124.2
2092	N	25.4	Very low	26.5	Very low	135 Å²	135	142.3 Å²	142.3	72%	0.722	72%	0.718	S	S	*	*				49.9	135.4	95.4	-136.2	0.5	0	0	0	121.8
2093	I	27.5	Very low	26.7	Very low	134 Å²	134	140.3 Å²	140.3	69%	0.687	72%	0.719	S	S	*	*			trans	88.6	113.9	152.2	-65.9	158.5	0	0	0	121.7
2094	H	22.7	Very low	26.5	Very low	162 Å²	162	135.5 Å²	135.5	75%	0.75	71%	0.71	S	S	*	*			trans	56.3	132.6	146.5	-91.4	-75.9	0	0	0	125.5
2095	D	23.7	Very low	26.3	Very low	136 Å²	136	137.2 Å²	137.2	73%	0.727	72%	0.717	S	S	*	*			trans	75.7	141.7	144	-78.1	19.6	0	0	0	122.2
2096	M	26.2	Very low	26.8	Very low	165 Å²	165	135.3 Å²	135.3	81%	0.813	71%	0.713	S	S	*	*			trans	76.6	115.3	-178.1	-50.4	-156.5	67.9	0	0	114
2097	N	25.8	Very low	26.5	Very low	135 Å²	135	137.4 Å²	137.4	72%	0.722	72%	0.724	S	S	*	*			cis	58.6	81	34.9	-62.2	-6.2	0	0	0	114.9
2098	H	28.3	Very low	26.4	Very low	160 Å²	160	135.9 Å²	135.9	74%	0.741	72%	0.721	S	S	*	*				-140.3	144.6	112.5	-96	47.9	0	0	0	106.4
2099	D	26.9	Very low	26.5	Very low	131 Å²	131	134.7 Å²	134.7	70%	0.701	71%	0.714	S	S	*	*			cis	60.2	54.2	27.1	-59.8	-25.6	0	0	0	114.3
2100	D	29.9	Very low	26.4	Very low	153 Å²	153	133 Å²	133	82%	0.818	71%	0.711	S	S	*	*				-138.4	99.4	127.2	-86.6	-46.1	0	0	0	104.1
2101	D	24.7	Very low	26.4	Very low	115 Å²	115	132.8 Å²	132.8	62%	0.615	71%	0.71	S	S	*	*			cis	75.4	130.3	46.1	-157	12.9	0	0	0	113.3
2102	H	25.1	Very low	26.9	Very low	143 Å²	143	131.9 Å²	131.9	66%	0.662	71%	0.706	S	S	*	*			trans	63.5	155.5	-179.5	-51.6	-3.5	0	0	0	114.8
2103	V	29.7	Very low	27.4	Very low	127 Å²	127	131.6 Å²	131.6	77%	0.77	70%	0.704	S	S	*	*			cis	-131.8	102.5	17.1	166.6	0	0	0	0	106.8
2104	T	23.7	Very low	27.9	Very low	91 Å²	91	131.3 Å²	131.3	56%	0.558	71%	0.705	S	S	*	*				58.7	129.3	82.6	67.9	0	0	0	0	116.4
2105	T	23.9	Very low	28.6	Very low	125 Å²	125	130.7 Å²	130.7	77%	0.767	71%	0.707	S	S	*	*			trans	72.6	144.9	152.7	45.9	0	0	0	0	119.6
2106	P	42.1	Very low	29.1	Very low	107 Å²	107	130.7 Å²	130.7	70%	0.695	71%	0.707	S	S	*	*			trans	-79.7	-150.2	167	40.8	-38.4	0	0	0	108.9
2107	L	23.5	Very low	29.4	Very low	149 Å²	149	130 Å²	130	78%	0.78	71%	0.706	S	S	*	*			trans	75.7	138.5	-161.5	-47.9	167.8	0	0	0	109.4
2108	D	24.7	Very low	30	Very low	114 Å²	114	127 Å²	127	61%	0.61	71%	0.708	S	S	*	*			cis	-161.9	155	2.4	-132.8	9.5	0	0	0	112.2
2109	N	24	Very low	30.3	Very low	114 Å²	114	126.8 Å²	126.8	61%	0.61	71%	0.71	S	S	*	*			trans	67.6	135.1	156.1	-57.5	-47.5	0	0	0	117.8
2110	V	25.3	Very low	30.8	Very low	116 Å²	116	128.3 Å²	128.3	70%	0.703	71%	0.713	S	S	*	*			cis	71.8	147.6	40.7	-178.3	0	0	0	0	111.2
2111	N	26.4	Very low	30.9	Very low	133 Å²	133	125.4 Å²	125.4	71%	0.711	70%	0.698	S	S	*	*			trans	68.3	136.3	-174.9	-80	57.4	0	0	0	112.4
2112	D	35	Very low	31.3	Very low	125 Å²	125	123.3 Å²	123.3	67%	0.668	69%	0.687	S	S	*	*			cis	-148.6	142.3	13.1	-80.4	-40.2	0	0	0	103.9
2113	D	35.4	Very low	31.7	Very low	128 Å²	128	124.1 Å²	124.1	68%	0.684	69%	0.691	S	S	*	*			cis	-178.4	173.8	26.9	-82.5	-19	0	0	0	104.7
2114	D	38.7	Very low	31.9	Very low	129 Å²	129	120.3 Å²	120.3	69%	0.69	66%	0.664	S	S	*	*			cis	-172.1	168.8	-29.5	-102.8	-14.4	0	0	0	107.1
2115	D	37.1	Very low	32.2	Very low	149 Å²	149	120.3 Å²	120.3	80%	0.797	66%	0.664	S	S	*	*			trans	63	154.6	160.1	-56.6	-20.8	0	0	0	120.2
2116	D	34.4	Very low	32.5	Very low	136 Å²	136	116.8 Å²	116.8	73%	0.727	64%	0.641	S	S	*	*			cis	-174.5	176	-45.1	-137.3	-20.1	0	0	0	108
2117	D	32.1	Very low	32.1	Very low	149 Å²	149	118 Å²	118	80%	0.797	64%	0.641	S	S	*	*			trans	49.3	91.8	157.9	-68.1	-28.3	0	0	0	119.2
2118	G	39	Very low	32.7	Very low	74 Å²	74	113.1 Å²	113.1	76%	0.763	62%	0.621	S	S	*	*			cis	104.6	171.3	48	0	0	0	0	0	114.5
2119	I	35.6	Very low	33	Very low	155 Å²	155	113.7 Å²	113.7	80%	0.795	62%	0.624	S	S	*	*			trans	96.7	101.3	157	-56.7	176.2	0	0	0	120.1
2120	E	36.9	Very low	33.4	Very low	162 Å²	162	114.4 Å²	114.4	76%	0.757	63%	0.633	S	S	*	*			trans	66.8	123.1	139.9	-76	-171.8	-162.8	0	0	123.2
2121	N	32.3	Very low	33.7	Very low	92 Å²	92	115.4 Å²	115.4	49%	0.492	64%	0.635	S	S	.	*			trans	79.3	102	130.3	-75.1	-38.8	0	0	0	120.4	K2158	N2121-K2158 VanDerWaalsContact CB-NZ 3.29Å; N2121-K2158 PolarHBondContact ND2-NZ 2.87Å; N2121-K2158 WeakPolarHBondContact OD1-CE 3.48Å; N2121-K2158 PolarHBondContact OD1-NZ 3.31Å
2122	D	33.1	Very low	33.9	Very low	72 Å²	72	117 Å²	117	39%	0.385	64%	0.642	S	S	.	*				126.5	73	126.5	-57	-8	0	0	0	119.7	L2156 K2158	D2122-L2156 PolarHBondContact N-O 2.95Å; D2122-K2158 HydrophobicContact CB-CB 4.48Å; D2122-K2158 VanDerWaalsContact CG-N 3.34Å; D2122-K2158 VanDerWaalsContact OD1-CB 3.24Å; D2122-K2158 WeakPolarHBondContact OD1-CB 3.28Å; D2122-K2158 WeakPolarHBondContact OD1-CG 3.38Å; D2122-K2158 PolarHBondContact OD1-N 3.5Å; D2122-K2158 IonicContact OD1-NZ 2.86Å; D2122-K2158 PolarHBondContact OD1-NZ 3.45Å; D2122-K2158 IonicContact OD2-NZ 2.77Å; D2122-K2158 PolarHBondContact OD2-NZ 3.03Å
2123	Q	33.1	Very low	33.9	Very low	159 Å²	159	119.6 Å²	119.6	74%	0.743	65%	0.648	S	S	*	*	B	Isolated β-bridge	trans	-164.6	148.4	141.7	-106.8	158.6	-5.6	0	0	113.2	L2156 H2157	Q2123-L2156 PolarHBondContact N-O 3.03Å; Q2123-L2156 VanDerWaalsContact N-O 3.08Å; Q2123-L2156 CarbonylContact O-C 3.58Å; Q2123-L2156 WeakPolarHBondContact O-CA 3.06Å; Q2123-L2156 PolarHBondContact O-N 2.87Å; Q2123-L2156 VanDerWaalsContact O-O 3.12Å; Q2123-H2157 WeakPolarHBondContact CA-ND1 3.31Å; Q2123-H2157 PolarHBondContact O-N 3.29Å
2124	E	33.8	Very low	33.7	Very low	47 Å²	47	120 Å²	120	22%	0.22	66%	0.655	C	S	.	*			trans	-157.9	-179.3	-173.3	-142.6	165.2	-95.5	0	0	104.2	N2126 L2156 H2157 K2159	E2124-N2126 WeakPolarHBondContact CG-ND2 3.36Å; E2124-L2156 WeakPolarHBondContact OE1-CA 3.48Å; E2124-L2156 WeakPolarHBondContact OE1-CD1 3.16Å; E2124-L2156 WeakPolarHBondContact OE1-CG 3.37Å; E2124-H2157 HydrophobicContact CB-CB 3.27Å; E2124-H2157 VanDerWaalsContact CB-CD2 3.49Å; E2124-H2157 WeakPolarHBondContact CB-CD2 3.47Å; E2124-H2157 VanDerWaalsContact CD-CB 3.49Å; E2124-H2157 HydrophobicContact CG-CB 3.98Å; E2124-H2157 PolarHBondContact N-ND1 2.75Å; E2124-H2157 PolarHBondContact OE1-N 2.97Å; E2124-K2159 IonicContact OE1-NZ 2.62Å; E2124-K2159 PolarHBondContact OE1-NZ 3.28Å; E2124-K2159 IonicContact OE2-NZ 3.09Å; E2124-K2159 PolarHBondContact OE2-NZ 3.18Å
2125	V	29	Very low	33.2	Very low	91 Å²	91	118.1 Å²	118.1	55%	0.552	65%	0.652	S	S	*	*			cis	-79.4	-161.8	25	-62.1	0	0	0	0	114.5
2126	N	31.9	Very low	32.9	Very low	52 Å²	52	118 Å²	118	28%	0.278	65%	0.65	S	S	.	*			trans	-132.9	145.5	169.9	29.2	154.9	0	0	0	109.6	E2124 M2164 K2165 Q2166	E2124-N2126 WeakPolarHBondContact CG-ND2 3.36Å; N2126-M2164 PolarHBondContact N-O 3.28Å; N2126-M2164 VanDerWaalsContact N-O 3.16Å; N2126-M2164 PolarHBondContact ND2-O 2.75Å; N2126-K2165 CarbonylContact C-O 3.52Å; N2126-K2165 WeakPolarHBondContact CA-O 3.36Å; N2126-K2165 WeakPolarHBondContact CB-O 3.24Å; N2126-K2165 WeakPolarHBondContact ND2-CA 3.26Å; N2126-K2165 WeakPolarHBondContact OD1-CA 3.36Å; N2126-K2165 PolarHBondContact OD1-O 2.85Å; N2126-Q2166 PolarHBondContact OD1-N 3.07Å; N2126-Q2166 VanDerWaalsContact OD1-N 3.16Å
2127	L	33.4	Very low	32.3	Very low	133 Å²	133	121.1 Å²	121.1	70%	0.696	66%	0.657	S	S	*	*			cis	95.7	154.9	34.8	-100.8	82.2	0	0	0	115.4	Q2166	L2127-Q2166 WeakPolarHBondContact O-CA 3.46Å
2128	A	34.5	Very low	32.2	Very low	45 Å²	45	116.7 Å²	116.7	37%	0.372	65%	0.647	S	S	.	*			trans	78.2	153.5	164.7	0	0	0	0	0	118.4	Q2166 K2173	A2128-Q2166 HydrophobicContact CB-CB 4.44Å; A2128-Q2166 HydrophobicContact CB-CG 3.98Å; A2128-K2173 PolarHBondContact O-NZ 2.77Å; A2128-K2173 VanDerWaalsContact O-NZ 3.09Å
2129	D	31.4	Very low	32.1	Very low	126 Å²	126	118.6 Å²	118.6	67%	0.674	65%	0.648	S	S	*	*			cis	-137.7	-175.2	2.1	-147.7	-32.1	0	0	0	112.1
2130	T	32.6	Very low	32.1	Very low	129 Å²	129	120 Å²	120	79%	0.791	65%	0.649	S	S	*	*			trans	-142.2	164.7	-159.7	55	0	0	0	0	116.8
2131	N	32.7	Very low	32	Very low	137 Å²	137	118.2 Å²	118.2	73%	0.733	64%	0.644	S	S	*	*			trans	-117.3	-177.3	-175.6	-106.3	-18.6	0	0	0	115.2	D2176	N2131-D2176 PolarHBondContact ND2-OD2 3.04Å
2132	L	30.8	Very low	31.6	Very low	166 Å²	166	121.3 Å²	121.3	87%	0.869	66%	0.66	S	S	*	*			trans	-143.3	178.4	-147.3	-111.1	167.4	0	0	0	118.8
2133	K	34.8	Very low	31.6	Very low	181 Å²	181	123.7 Å²	123.7	79%	0.787	68%	0.679	S	S	*	*			trans	-85.9	162.4	-170.2	-56.2	178.8	179.6	-178	0	116.9
2134	T	29.9	Very low	31.5	Very low	136 Å²	136	119.9 Å²	119.9	83%	0.834	68%	0.683	S	S	*	*			trans	25.1	135.8	149.5	50.6	0	0	0	0	122.6
2135	S	29.8	Very low	31.4	Very low	90 Å²	90	122.1 Å²	122.1	63%	0.629	71%	0.709	S	S	*	*			trans	-95.6	169.1	142	-150.4	0	0	0	0	108.3
2136	I	29.1	Very low	31.9	Very low	147 Å²	147	126.1 Å²	126.1	75%	0.754	72%	0.722	S	S	*	*	S	Bend	cis	-136.8	145.1	14.5	-54.7	168.1	0	0	0	106.7
2137	F	21.8	Very low	31.9	Very low	201 Å²	201	126.4 Å²	126.4	88%	0.882	73%	0.731	S	S	*	*	S	Bend	cis	-92.3	140.7	6.8	-76	-110.8	0	0	0	112
2138	G	30.3	Very low	31.6	Very low	56 Å²	56	123.4 Å²	123.4	58%	0.577	72%	0.722	S	S	*	*			trans	-73	159.6	-179.8	0	0	0	0	0	114.4
2139	S	36.6	Very low	31.4	Very low	114 Å²	114	126.3 Å²	126.3	80%	0.797	74%	0.735	S	S	*	*			trans	142.7	130.1	159.4	-69.3	0	0	0	0	111.1
2140	F	35.5	Very low	32.2	Very low	185 Å²	185	126.7 Å²	126.7	81%	0.811	74%	0.742	S	S	*	*			trans	62.2	109.9	151.1	-86.2	-113.6	0	0	0	118.8
2141	L	35.5	Very low	33	Very low	124 Å²	124	126.5 Å²	126.5	65%	0.649	74%	0.736	S	S	*	*				88.7	105.3	59.7	-76.9	164.6	0	0	0	115.6
2142	L	23.6	Very low	33.3	Very low	157 Å²	157	127.7 Å²	127.7	82%	0.822	74%	0.737	S	S	*	*			trans	68.8	171.5	147	-58.2	170.2	0	0	0	118.1
2143	P	34	Very low	33.3	Very low	122 Å²	122	124 Å²	124	79%	0.792	72%	0.721	S	S	*	*			cis	-139.4	144.9	-13.3	28.9	-6.2	0	0	0	118.9
2144	G	30.2	Very low	33.3	Very low	79 Å²	79	120 Å²	120	81%	0.814	71%	0.712	S	S	*	*				87.1	129.5	122	0	0	0	0	0	126.7
2145	A	32.7	Very low	33.5	Very low	94 Å²	94	115.8 Å²	115.8	78%	0.777	70%	0.696	S	S	*	*			trans	110.1	135.4	130.7	0	0	0	0	0	124.7
2146	E	38.7	Very low	33.6	Very low	174 Å²	174	117.3 Å²	117.3	81%	0.813	70%	0.696	S	S	*	*			trans	82.8	-178.2	152.3	-70.1	167.7	-136.7	0	0	122.5
2147	A	31.5	Very low	34	Very low	58 Å²	58	112.4 Å²	112.4	48%	0.479	67%	0.67	S	S	.	*				-139	165.4	-125.5	0	0	0	0	0	123	T2154	A2147-T2154 HydrophobicContact CB-CG2 3.61Å; A2147-T2154 VanDerWaalsContact CB-OG1 3.23Å; A2147-T2154 WeakPolarHBondContact CB-OG1 3.42Å
2148	S	28.6	Very low	34.7	Very low	71 Å²	71	107.2 Å²	107.2	50%	0.497	65%	0.647	S	S	.	*			trans	77.4	124.9	143.8	65.2	0	0	0	0	126.2	E2152	S2148-E2152 CarbonylContact C-O 3.09Å; S2148-E2152 VanDerWaalsContact CA-O 3.31Å; S2148-E2152 WeakPolarHBondContact CA-O 3.01Å
2149	T	30.3	Very low	35	Very low	106 Å²	106	109.7 Å²	109.7	65%	0.65	64%	0.642	S	S	*	*			trans	72.8	152.6	139.2	58.3	0	0	0	0	120.9	D2151 E2152	T2149-D2151 VanDerWaalsContact CA-N 3.33Å; T2149-E2152 PolarHBondContact N-O 2.78Å
2150	T	48.2	Very low	34.6	Very low	134 Å²	134	109.7 Å²	109.7	82%	0.822	63%	0.633	S	S	*	*	S	Bend	cis	-80.2	32	12	49.8	0	0	0	0	118.4
2151	D	48.1	Very low	34.6	Very low	124 Å²	124	107.5 Å²	107.5	66%	0.663	63%	0.628	S	S	*	*	S	Bend		175.7	-149.5	-102.7	-64.7	-56.9	0	0	0	104.6	T2149	T2149-D2151 VanDerWaalsContact CA-N 3.33Å
2152	E	39	Very low	34.9	Very low	163 Å²	163	108.9 Å²	108.9	76%	0.762	63%	0.629	S	S	*	*			trans	-66.8	-177.8	-165.4	-54.4	168	120.4	0	0	117.7	S2148 T2149	S2148-E2152 CarbonylContact C-O 3.09Å; S2148-E2152 VanDerWaalsContact CA-O 3.31Å; S2148-E2152 WeakPolarHBondContact CA-O 3.01Å; T2149-E2152 PolarHBondContact N-O 2.78Å
2153	V	30.8	Very low	35.6	Very low	87 Å²	87	109.2 Å²	109.2	53%	0.527	62%	0.624	S	S	.	*			trans	82.1	133.2	155.7	-127.7	0	0	0	0	122.4
2154	T	34.4	Very low	36.4	Very low	97 Å²	97	107.6 Å²	107.6	60%	0.595	61%	0.607	S	S	*	*			trans	68.4	176.9	165.3	68.7	0	0	0	0	117.8	A2147	A2147-T2154 HydrophobicContact CB-CG2 3.61Å; A2147-T2154 VanDerWaalsContact CB-OG1 3.23Å; A2147-T2154 WeakPolarHBondContact CB-OG1 3.42Å
2155	G	35.5	Very low	37	Very low	48 Å²	48	107.9 Å²	107.9	50%	0.495	59%	0.586	S	S	.	*			trans	-153.4	142.5	171.8	0	0	0	0	0	113.6
2156	L	30.2	Very low	37.3	Very low	122 Å²	122	107.4 Å²	107.4	64%	0.639	57%	0.567	S	S	*	*	B	Isolated β-bridge	trans	-172.9	129	155.9	-133	67	0	0	0	114.5	D2122 Q2123 E2124	D2122-L2156 PolarHBondContact N-O 2.95Å; Q2123-L2156 PolarHBondContact N-O 3.03Å; Q2123-L2156 VanDerWaalsContact N-O 3.08Å; Q2123-L2156 CarbonylContact O-C 3.58Å; Q2123-L2156 WeakPolarHBondContact O-CA 3.06Å; Q2123-L2156 PolarHBondContact O-N 2.87Å; Q2123-L2156 VanDerWaalsContact O-O 3.12Å; E2124-L2156 WeakPolarHBondContact OE1-CA 3.48Å; E2124-L2156 WeakPolarHBondContact OE1-CD1 3.16Å; E2124-L2156 WeakPolarHBondContact OE1-CG 3.37Å
2157	H	39.5	Very low	37.2	Very low	45 Å²	45	102.2 Å²	102.2	21%	0.208	55%	0.545	C	S	.	.			trans	-83.3	163.2	-174.6	-119.9	-18.6	0	0	0	113.2	Q2123 E2124 K2159	Q2123-H2157 WeakPolarHBondContact CA-ND1 3.31Å; Q2123-H2157 PolarHBondContact O-N 3.29Å; E2124-H2157 HydrophobicContact CB-CB 3.27Å; E2124-H2157 VanDerWaalsContact CB-CD2 3.49Å; E2124-H2157 WeakPolarHBondContact CB-CD2 3.47Å; E2124-H2157 VanDerWaalsContact CD-CB 3.49Å; E2124-H2157 HydrophobicContact CG-CB 3.98Å; E2124-H2157 PolarHBondContact N-ND1 2.75Å; E2124-H2157 PolarHBondContact OE1-N 2.97Å; H2157-K2159 HydrophobicContact CB-CD 4.42Å; H2157-K2159 HydrophobicContact CB-CG 4.03Å; H2157-K2159 VanDerWaalsContact CB-NZ 3.28Å; H2157-K2159 PolarHBondContact CD2-N 3.35Å; H2157-K2159 PolarHBondContact ND1-N 3.15Å; H2157-K2159 PolarHBondContact NE2-N 3.09Å; H2157-K2159 WeakPolarHBondContact O-CD 3.35Å; H2157-K2159 WeakPolarHBondContact O-CE 3.2Å; H2157-K2159 PolarHBondContact O-NZ 2.68Å
2158	K	35.8	Very low	37.4	Very low	91 Å²	91	102.8 Å²	102.8	40%	0.396	54%	0.538	S	S	.	.				-106.4	126	107.5	-70.1	-177.5	-123.1	68.4	0	108.8	N2121 D2122	N2121-K2158 VanDerWaalsContact CB-NZ 3.29Å; N2121-K2158 PolarHBondContact ND2-NZ 2.87Å; N2121-K2158 WeakPolarHBondContact OD1-CE 3.48Å; N2121-K2158 PolarHBondContact OD1-NZ 3.31Å; D2122-K2158 HydrophobicContact CB-CB 4.48Å; D2122-K2158 VanDerWaalsContact CG-N 3.34Å; D2122-K2158 VanDerWaalsContact OD1-CB 3.24Å; D2122-K2158 WeakPolarHBondContact OD1-CB 3.28Å; D2122-K2158 WeakPolarHBondContact OD1-CG 3.38Å; D2122-K2158 PolarHBondContact OD1-N 3.5Å; D2122-K2158 IonicContact OD1-NZ 2.86Å; D2122-K2158 PolarHBondContact OD1-NZ 3.45Å; D2122-K2158 IonicContact OD2-NZ 2.77Å; D2122-K2158 PolarHBondContact OD2-NZ 3.03Å
2159	K	35.5	Very low	37.6	Very low	108 Å²	108	100.5 Å²	100.5	47%	0.47	52%	0.524	S	S	.	.				61.4	85.7	54.8	-57.4	146.9	-173.2	65.5	0	107.2	E2124 H2157	E2124-K2159 IonicContact OE1-NZ 2.62Å; E2124-K2159 PolarHBondContact OE1-NZ 3.28Å; E2124-K2159 IonicContact OE2-NZ 3.09Å; E2124-K2159 PolarHBondContact OE2-NZ 3.18Å; H2157-K2159 HydrophobicContact CB-CD 4.42Å; H2157-K2159 HydrophobicContact CB-CG 4.03Å; H2157-K2159 VanDerWaalsContact CB-NZ 3.28Å; H2157-K2159 PolarHBondContact CD2-N 3.35Å; H2157-K2159 PolarHBondContact ND1-N 3.15Å; H2157-K2159 PolarHBondContact NE2-N 3.09Å; H2157-K2159 WeakPolarHBondContact O-CD 3.35Å; H2157-K2159 WeakPolarHBondContact O-CE 3.2Å; H2157-K2159 PolarHBondContact O-NZ 2.68Å
2160	N	29.9	Very low	37.6	Very low	114 Å²	114	102.5 Å²	102.5	61%	0.61	53%	0.529	S	S	*	.	S	Bend		-111.4	143.5	78.4	-99.5	-21.1	0	0	0	115.2
2161	I	34.2	Very low	37.5	Very low	140 Å²	140	104.6 Å²	104.6	72%	0.718	53%	0.526	S	S	*	.	S	Bend	trans	51.1	89.4	143	-50	163.9	0	0	0	114.3
2162	K	42.9	Very low	36.6	Very low	153 Å²	153	108 Å²	108	67%	0.665	54%	0.541	S	S	*	.			cis	-139.8	162.7	13.5	-77.6	173.2	-173.2	159.3	0	112.1
2163	K	38.1	Very low	36	Very low	164 Å²	164	105.7 Å²	105.7	71%	0.713	53%	0.528	S	S	*	.			trans	-11.2	142	134.5	-13.4	165.5	-172	168	0	113
2164	M	51.2	Low	36.5	Very low	87 Å²	87	106.5 Å²	106.5	43%	0.429	54%	0.535	S	S	.	.			cis	-151.9	-150.4	37.5	-132.5	123.7	64.7	0	0	111.1	N2126 N2167	N2126-M2164 PolarHBondContact N-O 3.28Å; N2126-M2164 VanDerWaalsContact N-O 3.16Å; N2126-M2164 PolarHBondContact ND2-O 2.75Å; M2164-N2167 HydrophobicContact CB-CB 3.92Å; M2164-N2167 HydrophobicContact CE-CB 4.21Å; M2164-N2167 HydrophobicContact CG-CB 3.95Å; M2164-N2167 WeakPolarHBondContact CG-OD1 2.97Å
2165	K	41.7	Very low	36.6	Very low	86 Å²	86	107.6 Å²	107.6	37%	0.374	54%	0.542	S	S	.	.	S	Bend		-136.1	-157.7	-97.9	-176.4	174.4	111.1	-80.8	0	105.2	N2126 N2167 E2168	N2126-K2165 CarbonylContact C-O 3.52Å; N2126-K2165 WeakPolarHBondContact CA-O 3.36Å; N2126-K2165 WeakPolarHBondContact CB-O 3.24Å; N2126-K2165 WeakPolarHBondContact ND2-CA 3.26Å; N2126-K2165 WeakPolarHBondContact OD1-CA 3.36Å; N2126-K2165 PolarHBondContact OD1-O 2.85Å; K2165-N2167 HydrophobicContact CB-CB 4.04Å; K2165-N2167 PolarHBondContact NZ-OD1 3.01Å; K2165-N2167 PolarHBondContact O-N 2.81Å; K2165-E2168 IonicContact NZ-OE1 2.71Å; K2165-E2168 PolarHBondContact NZ-OE1 2.68Å; K2165-E2168 IonicContact NZ-OE2 2.93Å; K2165-E2168 PolarHBondContact NZ-OE2 3.42Å
2166	Q	38.6	Very low	36.3	Very low	84 Å²	84	109.5 Å²	109.5	39%	0.393	54%	0.541	S	S	.	.	S	Bend		-61.8	87.1	123.9	-164.8	-150.6	-11.7	0	0	102.4	N2126 L2127 A2128 E2168	N2126-Q2166 PolarHBondContact OD1-N 3.07Å; N2126-Q2166 VanDerWaalsContact OD1-N 3.16Å; L2127-Q2166 WeakPolarHBondContact O-CA 3.46Å; A2128-Q2166 HydrophobicContact CB-CB 4.44Å; A2128-Q2166 HydrophobicContact CB-CG 3.98Å; Q2166-E2168 HydrophobicContact CB-CG 4.15Å; Q2166-E2168 HydrophobicContact CG-CG 3.66Å; Q2166-E2168 WeakPolarHBondContact O-CG 3.48Å; Q2166-E2168 PolarHBondContact OE1-OE1 2.7Å
2167	N	37.5	Very low	36.3	Very low	64 Å²	64	111.7 Å²	111.7	34%	0.342	55%	0.545	S	S	.	.			trans	-115.4	90.2	154.9	-116.6	96.2	0	0	0	100	M2164 K2165	M2164-N2167 HydrophobicContact CB-CB 3.92Å; M2164-N2167 HydrophobicContact CE-CB 4.21Å; M2164-N2167 HydrophobicContact CG-CB 3.95Å; M2164-N2167 WeakPolarHBondContact CG-OD1 2.97Å; K2165-N2167 HydrophobicContact CB-CB 4.04Å; K2165-N2167 PolarHBondContact NZ-OD1 3.01Å; K2165-N2167 PolarHBondContact O-N 2.81Å
2168	E	35	Very low	36.6	Very low	70 Å²	70	115.9 Å²	115.9	33%	0.327	57%	0.568	S	S	.	*				45.5	130.1	64.7	-45.2	153.7	-167.6	0	0	108.7	K2165 Q2166	K2165-E2168 IonicContact NZ-OE1 2.71Å; K2165-E2168 PolarHBondContact NZ-OE1 2.68Å; K2165-E2168 IonicContact NZ-OE2 2.93Å; K2165-E2168 PolarHBondContact NZ-OE2 3.42Å; Q2166-E2168 HydrophobicContact CB-CG 4.15Å; Q2166-E2168 HydrophobicContact CG-CG 3.66Å; Q2166-E2168 WeakPolarHBondContact O-CG 3.48Å; Q2166-E2168 PolarHBondContact OE1-OE1 2.7Å
2169	A	33.2	Very low	36.7	Very low	24 Å²	24	119.8 Å²	119.8	20%	0.198	59%	0.585	C	S	.	*			cis	-135.6	-171.2	28.3	0	0	0	0	0	108.9	K2171 M2172 K2173	A2169-K2171 VanDerWaalsContact C-C 3.47Å; A2169-K2171 CarbonylContact C-O 3.56Å; A2169-K2171 VanDerWaalsContact CA-O 3.23Å; A2169-K2171 WeakPolarHBondContact CA-O 3.04Å; A2169-K2171 VanDerWaalsContact CB-O 3.24Å; A2169-K2171 WeakPolarHBondContact CB-O 3.11Å; A2169-K2171 PolarHBondContact N-O 2.93Å; A2169-K2171 CarbonylContact O-C 3.36Å; A2169-K2171 VanDerWaalsContact O-C 3.28Å; A2169-K2171 PolarHBondContact O-N 3.19Å; A2169-M2172 PolarHBondContact O-N 3.41Å; A2169-K2173 CarbonylContact C-O 3.57Å; A2169-K2173 WeakPolarHBondContact O-CA 3.23Å; A2169-K2173 VanDerWaalsContact O-CB 3.23Å; A2169-K2173 WeakPolarHBondContact O-CB 3.08Å; A2169-K2173 WeakPolarHBondContact O-CG 3.37Å; A2169-K2173 PolarHBondContact O-N 3.45Å
2170	I	30.7	Very low	37.4	Very low	148 Å²	148	118.8 Å²	118.8	76%	0.759	59%	0.592	S	S	*	*	B	Isolated β-bridge	cis	44.1	45.3	47.6	-15.6	164.2	0	0	0	108.9	K2173	I2170-K2173 PolarHBondContact N-O 2.67Å
2171	K	45.4	Very low	37.9	Very low	177 Å²	177	117.2 Å²	117.2	77%	0.77	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	86.4	106.3	-149.3	-55	168.1	-175.3	-165.4	0	113.5	A2169 K2173	A2169-K2171 VanDerWaalsContact C-C 3.47Å; A2169-K2171 CarbonylContact C-O 3.56Å; A2169-K2171 VanDerWaalsContact CA-O 3.23Å; A2169-K2171 WeakPolarHBondContact CA-O 3.04Å; A2169-K2171 VanDerWaalsContact CB-O 3.24Å; A2169-K2171 WeakPolarHBondContact CB-O 3.11Å; A2169-K2171 PolarHBondContact N-O 2.93Å; A2169-K2171 CarbonylContact O-C 3.36Å; A2169-K2171 VanDerWaalsContact O-C 3.28Å; A2169-K2171 PolarHBondContact O-N 3.19Å; K2171-K2173 PolarHBondContact N-O 2.8Å
2172	M	29.7	Very low	37.7	Very low	197 Å²	197	114.8 Å²	114.8	97%	0.97	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	cis	-113.3	43.3	2.1	-62.4	174.1	74.2	0	0	111.2	A2169	A2169-M2172 PolarHBondContact O-N 3.41Å
2173	K	27.2	Very low	37.1	Very low	114 Å²	114	111.5 Å²	111.5	50%	0.496	55%	0.551	S	S	.	*	B	Isolated β-bridge	trans	-114	153.3	153	-43.4	176.1	177.7	-167.9	0	108.2	A2128 A2169 I2170 K2171	A2128-K2173 PolarHBondContact O-NZ 2.77Å; A2128-K2173 VanDerWaalsContact O-NZ 3.09Å; A2169-K2173 CarbonylContact C-O 3.57Å; A2169-K2173 WeakPolarHBondContact O-CA 3.23Å; A2169-K2173 VanDerWaalsContact O-CB 3.23Å; A2169-K2173 WeakPolarHBondContact O-CB 3.08Å; A2169-K2173 WeakPolarHBondContact O-CG 3.37Å; A2169-K2173 PolarHBondContact O-N 3.45Å; I2170-K2173 PolarHBondContact N-O 2.67Å; K2171-K2173 PolarHBondContact N-O 2.8Å
2174	P	40.1	Very low	36.7	Very low	103 Å²	103	107.9 Å²	107.9	67%	0.669	54%	0.536	S	S	*	.				-147.7	159.8	118.3	43.6	-27.4	0	0	0	113.4
2175	T	35.9	Very low	35.7	Very low	121 Å²	121	104.6 Å²	104.6	74%	0.742	52%	0.52	S	S	*	.				75.5	149.7	114.9	55.2	0	0	0	0	116.3
2176	D	30.4	Very low	35.1	Very low	88 Å²	88	103.2 Å²	103.2	47%	0.471	52%	0.518	S	S	.	.	S	Bend	cis	78.1	60	26.1	-151.7	-14	0	0	0	113.8	N2131	N2131-D2176 PolarHBondContact ND2-OD2 3.04Å
2177	K	30.4	Very low	34.4	Very low	167 Å²	167	103 Å²	103	73%	0.726	52%	0.52	S	S	*	.			trans	79.8	156.2	158.8	-43.1	158.5	-178.3	163.6	0	120.4
2178	L	44.5	Very low	34.1	Very low	133 Å²	133	104 Å²	104	70%	0.696	53%	0.529	S	S	*	.			trans	94	111	147.3	-65.4	142.2	0	0	0	118	S2180	L2178-S2180 PolarHBondContact O-N 3.18Å
2179	K	39.3	Very low	33.9	Very low	174 Å²	174	106.7 Å²	106.7	76%	0.757	55%	0.545	S	S	*	.			trans	60.4	45.7	136.9	-61.8	-167.1	167.8	-151.7	0	116.3	K577	K577-K2179 WeakPolarHBondContact CE-O 3.45Å; K577-K2179 PolarHBondContact NZ-O 3.29Å
2180	S	48.9	Very low	33.6	Very low	87 Å²	87	111.4 Å²	111.4	61%	0.608	57%	0.567	S	S	*	*			trans	-73.2	164.6	154	-64.9	0	0	0	0	110.7	K577 L2178	K577-S2180 PolarHBondContact NZ-O 3.02Å; L2178-S2180 PolarHBondContact O-N 3.18Å
2181	K	41.4	Very low	34	Very low	80 Å²	80	112.7 Å²	112.7	35%	0.348	57%	0.567	S	S	.	*			cis	89.7	135.2	18.7	-97.5	157.6	-175.9	172.7	0	112.1	D576 K577	D576-K2181 IonicContact OD1-NZ 3.24Å; D576-K2181 PolarHBondContact OD1-NZ 3.03Å; K577-K2181 HydrophobicContact CD-CB 4.25Å; K577-K2181 HydrophobicContact CD-CG 3.71Å; K577-K2181 HydrophobicContact CG-CG 3.89Å
2182	E	30.1	Very low	33.2	Very low	89 Å²	89	114.1 Å²	114.1	42%	0.416	57%	0.568	S	S	.	*			cis	-129.7	-115.9	18.2	-159.6	144	147	0	0	119.9	D2307 G2312 P2314	E2182-D2307 WeakPolarHBondContact CA-OD2 3.29Å; E2182-D2307 PolarHBondContact N-OD2 2.77Å; E2182-G2312 CarbonylContact C-O 2.96Å; E2182-G2312 VanDerWaalsContact CB-C 3.41Å; E2182-G2312 WeakPolarHBondContact CB-O 3.43Å; E2182-G2312 WeakPolarHBondContact CG-O 3.29Å; E2182-P2314 VanDerWaalsContact C-CD 3.42Å
2183	K	30.9	Very low	33	Very low	85 Å²	85	109.7 Å²	109.7	37%	0.37	55%	0.547	S	S	.	.			trans	-84	-98.8	-149.5	118.5	-112.1	7.6	121.5	0	125.3	D2311 G2312 I2313	K2183-D2311 PolarHBondContact NZ-O 3.16Å; K2183-D2311 IonicContact NZ-OD2 2.83Å; K2183-D2311 PolarHBondContact NZ-OD2 3.06Å; K2183-G2312 WeakPolarHBondContact CE-O 3.44Å; K2183-G2312 PolarHBondContact N-O 3.25Å; K2183-G2312 PolarHBondContact NZ-O 3.47Å; K2183-I2313 HydrophobicContact CB-CG2 3.3Å; K2183-I2313 HydrophobicContact CD-CB 4.41Å; K2183-I2313 HydrophobicContact CD-CD1 4.11Å; K2183-I2313 HydrophobicContact CD-CG1 4.48Å; K2183-I2313 HydrophobicContact CD-CG2 3.16Å; K2183-I2313 VanDerWaalsContact CE-CG2 3.46Å; K2183-I2313 HydrophobicContact CG-CB 4.47Å; K2183-I2313 HydrophobicContact CG-CG2 3Å
2184	Q	28.6	Very low	32.9	Very low	87 Å²	87	112 Å²	112	41%	0.407	56%	0.56	S	S	.	*	S	Bend	cis	70.5	-178.1	10.1	-43	165.8	-112.1	0	0	118.7	I2313 P2314 M2317	Q2184-I2313 HydrophobicContact CB-CB 4.22Å; Q2184-I2313 HydrophobicContact CB-CG2 3.41Å; Q2184-I2313 VanDerWaalsContact CB-CG2 3.41Å; Q2184-I2313 HydrophobicContact CG-CG2 4.47Å; Q2184-I2313 CarbonylContact O-C 3.5Å; Q2184-I2313 WeakPolarHBondContact O-CA 3.11Å; Q2184-I2313 WeakPolarHBondContact O-CB 3.06Å; Q2184-I2313 WeakPolarHBondContact O-CG2 3.11Å; Q2184-P2314 CarbonylContact O-C 3.57Å; Q2184-P2314 WeakPolarHBondContact O-CA 3.13Å; Q2184-P2314 WeakPolarHBondContact O-CD 3.3Å; Q2184-P2314 VanDerWaalsContact O-O 3.08Å; Q2184-M2317 CarbonylContact C-O 3.39Å; Q2184-M2317 HydrophobicContact CB-CE 4.42Å; Q2184-M2317 WeakPolarHBondContact CB-O 3.14Å; Q2184-M2317 HydrophobicContact CG-CE 3.94Å
2185	K	30.2	Very low	32.3	Very low	18 Å²	18	112.9 Å²	112.9	8%	0.078	57%	0.568	C	S	.	*	B	Isolated β-bridge	trans	107.6	162.6	153.7	-24.4	-177.4	150.7	-144.6	0	121	I2313 P2314 D2315 Y2316 M2317 E2318 D2321	K2185-I2313 WeakPolarHBondContact CA-O 3.08Å; K2185-I2313 HydrophobicContact CB-CB 3.67Å; K2185-I2313 HydrophobicContact CB-CD1 3.51Å; K2185-I2313 HydrophobicContact CB-CG1 3.58Å; K2185-I2313 HydrophobicContact CD-CD1 3.46Å; K2185-I2313 VanDerWaalsContact CD-CD1 3.46Å; K2185-I2313 HydrophobicContact CD-CG1 4.48Å; K2185-I2313 HydrophobicContact CG-CB 4.3Å; K2185-I2313 HydrophobicContact CG-CD1 3.48Å; K2185-I2313 VanDerWaalsContact CG-CD1 3.48Å; K2185-I2313 HydrophobicContact CG-CG1 4.14Å; K2185-P2314 CarbonylContact O-C 3.13Å; K2185-D2315 CarbonylContact O-C 3.52Å; K2185-D2315 WeakPolarHBondContact O-CA 3.15Å; K2185-D2315 PolarHBondContact O-N 2.95Å; K2185-D2315 VanDerWaalsContact O-N 3.12Å; K2185-Y2316 PolarHBondContact O-N 3.12Å; K2185-M2317 PolarHBondContact N-O 3.4Å; K2185-M2317 CarbonylContact O-C 3.33Å; K2185-M2317 PolarHBondContact O-N 3.49Å; K2185-E2318 HydrophobicContact CB-CB 3.55Å; K2185-E2318 HydrophobicContact CB-CG 3.98Å; K2185-E2318 HydrophobicContact CD-CB 4.17Å; K2185-E2318 HydrophobicContact CD-CG 3.76Å; K2185-E2318 VanDerWaalsContact CD-OE1 3.24Å; K2185-E2318 WeakPolarHBondContact CD-OE1 3.19Å; K2185-E2318 WeakPolarHBondContact CE-OE1 2.8Å; K2185-E2318 HydrophobicContact CG-CB 3.49Å; K2185-E2318 VanDerWaalsContact CG-CB 3.49Å; K2185-E2318 HydrophobicContact CG-CG 3.67Å; K2185-E2318 IonicContact NZ-OE1 3.72Å; K2185-E2318 PolarHBondContact NZ-OE1 3.4Å; K2185-E2318 PolarHBondContact O-N 3.11Å; K2185-D2321 IonicContact NZ-OD2 2.72Å; K2185-D2321 PolarHBondContact NZ-OD2 3.36Å
2186	V	28.3	Very low	31.9	Very low	57 Å²	57	110.1 Å²	110.1	35%	0.345	56%	0.558	S	S	.	*			trans	-152.8	-59.3	178	165.6	0	0	0	0	115.4	V2188 D2315 E2318	V2186-V2188 HydrophobicContact CG1-CG2 4.29Å; V2186-V2188 PolarHBondContact O-N 3.37Å; V2186-D2315 WeakPolarHBondContact CG2-O 3.3Å; V2186-E2318 VanDerWaalsContact CA-OE2 3.31Å; V2186-E2318 WeakPolarHBondContact CA-OE2 3.33Å; V2186-E2318 HydrophobicContact CB-CB 3.43Å; V2186-E2318 VanDerWaalsContact CB-CB 3.43Å; V2186-E2318 HydrophobicContact CB-CG 4.1Å; V2186-E2318 VanDerWaalsContact CB-OE2 3.31Å; V2186-E2318 WeakPolarHBondContact CB-OE2 3.07Å; V2186-E2318 HydrophobicContact CG2-CB 3.44Å; V2186-E2318 VanDerWaalsContact CG2-CB 3.44Å; V2186-E2318 HydrophobicContact CG2-CG 4.48Å; V2186-E2318 VanDerWaalsContact N-CB 3.29Å; V2186-E2318 PolarHBondContact N-OE2 2.9Å
2187	N	25.4	Very low	31.9	Very low	81 Å²	81	115.1 Å²	115.1	43%	0.433	58%	0.575	S	S	.	*			trans	-26.5	92.5	-155.1	-134.9	-33.5	0	0	0	115.6	E2318	N2187-E2318 PolarHBondContact N-OE2 2.73Å
2188	V	30	Very low	32	Very low	85 Å²	85	114.1 Å²	114.1	52%	0.515	58%	0.577	S	S	.	*				51.7	134.4	96.3	164.3	0	0	0	0	114.7	V2186	V2186-V2188 HydrophobicContact CG1-CG2 4.29Å; V2186-V2188 PolarHBondContact O-N 3.37Å
2189	N	31.8	Very low	31.7	Very low	125 Å²	125	115.3 Å²	115.3	67%	0.668	58%	0.577	S	S	*	*			trans	62.1	113	167	-77.8	-44.7	0	0	0	116.6
2190	N	26.5	Very low	31.2	Very low	124 Å²	124	113.8 Å²	113.8	66%	0.663	57%	0.573	S	S	*	*				-161.4	139	76.7	-107.4	-88.8	0	0	0	114	R2192	N2190-R2192 PolarHBondContact O-N 2.74Å
2191	K	40	Very low	30.3	Very low	174 Å²	174	112.8 Å²	112.8	76%	0.757	57%	0.566	S	S	*	*			trans	-48.3	113.4	162.3	-80.7	173.1	176.8	158.7	0	110.7	L2193	K2191-L2193 HydrophobicContact CB-CG 4.32Å; K2191-L2193 WeakPolarHBondContact O-CD1 3.21Å; K2191-L2193 WeakPolarHBondContact O-CG 3.41Å
2192	R	28.5	Very low	29.6	Very low	208 Å²	208	113.5 Å²	113.5	79%	0.785	58%	0.58	S	S	*	*			trans	-122	70.1	154	-98	77.5	-132.9	-93	7.7	109.9	N2190	N2190-R2192 PolarHBondContact O-N 2.74Å
2193	L	23.7	Very low	29.6	Very low	104 Å²	104	116.3 Å²	116.3	55%	0.545	60%	0.597	S	S	.	*				70.3	143.1	85.8	-72.6	160.2	0	0	0	115.1	K2191	K2191-L2193 HydrophobicContact CB-CG 4.32Å; K2191-L2193 WeakPolarHBondContact O-CD1 3.21Å; K2191-L2193 WeakPolarHBondContact O-CG 3.41Å
2194	H	25.6	Very low	29.4	Very low	163 Å²	163	118.1 Å²	118.1	76%	0.755	62%	0.615	S	S	*	*			trans	82.2	83.5	155.9	-50.5	-41.8	0	0	0	119.7
2195	S	28.5	Very low	29.5	Very low	121 Å²	121	120 Å²	120	85%	0.846	62%	0.624	S	S	*	*				-143.8	85.6	113.2	-171.5	0	0	0	0	110.7
2196	A	27.9	Very low	29.5	Very low	63 Å²	63	120.9 Å²	120.9	52%	0.521	63%	0.632	S	S	.	*				58.6	117.7	70.5	0	0	0	0	0	115.1
2197	K	28.8	Very low	29.7	Very low	193 Å²	193	121.1 Å²	121.1	84%	0.839	64%	0.636	S	S	*	*			trans	78.6	81.1	158.1	-58.6	162.2	-176.9	155.5	0	118.8
2198	N	32.4	Very low	29.9	Very low	145 Å²	145	126.3 Å²	126.3	78%	0.775	66%	0.658	S	S	*	*				-132.6	130	102.6	-96.3	-14.2	0	0	0	106.6
2199	K	38.1	Very low	30	Very low	159 Å²	159	125.5 Å²	125.5	69%	0.691	65%	0.653	S	S	*	*				66.2	120.9	79.7	-75.7	-179.7	161.7	-81.9	0	111.8
2200	Q	30	Very low	29.9	Very low	142 Å²	142	123.8 Å²	123.8	66%	0.664	65%	0.647	S	S	*	*			cis	-167.3	146.8	2.8	-140.6	176.4	-95.7	0	0	111.6
2201	S	29.8	Very low	30	Very low	66 Å²	66	126.3 Å²	126.3	46%	0.462	65%	0.652	S	S	.	*			trans	62.7	145.8	179.7	-54.9	0	0	0	0	114.3	D2443	S2201-D2443 WeakPolarHBondContact CB-O 3.35Å; S2201-D2443 PolarHBondContact OG-O 2.72Å
2202	C	27.1	Very low	29.6	Very low	95 Å²	95	123.8 Å²	123.8	64%	0.642	65%	0.647	S	S	*	*			cis	-129.5	-169.3	-9.2	-152.8	0	0	0	0	111	G2444	C2202-G2444 PolarHBondContact SG-O 2.76Å; C2202-G2444 VanDerWaalsContact SG-O 3.33Å
2203	D	29.7	Very low	30	Very low	147 Å²	147	118.7 Å²	118.7	79%	0.786	64%	0.635	S	S	*	*			trans	-147	47.9	-153.9	-53.6	76.8	0	0	0	118.3
2204	V	27.6	Very low	30.7	Very low	123 Å²	123	118.4 Å²	118.4	75%	0.745	63%	0.631	S	S	*	*			trans	-141.6	134.2	-179.4	153	0	0	0	0	117.3
2205	H	29.5	Very low	31	Very low	128 Å²	128	115.7 Å²	115.7	59%	0.593	62%	0.619	S	S	*	*			trans	60.1	164.5	166.2	-93.5	-131.9	0	0	0	117.2	N2429	H2205-N2429 HydrophobicContact CB-CB 4.28Å; H2205-N2429 WeakPolarHBondContact CB-O 3.24Å; H2205-N2429 PolarHBondContact ND1-O 2.65Å
2206	S	29.6	Very low	31.3	Very low	35 Å²	35	113.5 Å²	113.5	25%	0.245	59%	0.594	C	S	.	*			cis	-162.2	163.6	-33.9	144.6	0	0	0	0	108.9	R2428 N2429 K2430	S2206-R2428 CarbonylContact C-O 3.59Å; S2206-R2428 CarbonylContact O-C 3.55Å; S2206-R2428 PolarHBondContact OG-O 2.96Å; S2206-N2429 VanDerWaalsContact CB-O 3.28Å; S2206-N2429 WeakPolarHBondContact CB-O 3.24Å; S2206-K2430 WeakPolarHBondContact OG-CE 3.19Å
2207	C	33.8	Very low	31.6	Very low	63 Å²	63	118.6 Å²	118.6	43%	0.426	60%	0.604	S	S	.	*			trans	51.1	157.1	176.2	-139.3	0	0	0	0	116.8	R2428	C2207-R2428 HydrophobicContact CB-CB 3.83Å; C2207-R2428 HydrophobicContact CB-CG 3.8Å; C2207-R2428 WeakPolarHBondContact CB-O 3.27Å
2208	Q	29.4	Very low	31.8	Very low	190 Å²	190	115 Å²	115	89%	0.888	59%	0.593	S	S	*	*			trans	-147.5	122.7	-161.5	-53.6	-167.7	-94.4	0	0	108.6
2209	T	31.9	Very low	31.7	Very low	67 Å²	67	114.4 Å²	114.4	41%	0.411	59%	0.585	S	S	.	*			trans	-143.9	139.8	-136.1	23.3	0	0	0	0	114.1	R2428	T2209-R2428 HydrophobicContact CG2-CB 3.75Å; T2209-R2428 VanDerWaalsContact CG2-CD 3.48Å; T2209-R2428 HydrophobicContact CG2-CG 4.19Å
2210	T	30.5	Very low	31.3	Very low	89 Å²	89	116.2 Å²	116.2	55%	0.546	59%	0.588	S	S	.	*			trans	17.7	144.1	134.1	53.8	0	0	0	0	120
2211	K	27.3	Very low	31	Very low	178 Å²	178	117.3 Å²	117.3	77%	0.774	59%	0.59	S	S	*	*			cis	-167.7	169.8	-11.5	-119.9	179.3	-178.9	-173.9	0	107.5
2212	N	31.4	Very low	30.9	Very low	121 Å²	121	116.6 Å²	116.6	65%	0.647	59%	0.585	S	S	*	*			trans	62.7	131.4	147.9	-61	8.7	0	0	0	123.2
2213	N	37.4	Very low	31.2	Very low	101 Å²	101	117.3 Å²	117.3	54%	0.54	58%	0.579	S	S	.	*			trans	69.4	146.4	132.5	-68	-2.5	0	0	0	123.4
2214	Q	38.8	Very low	31.1	Very low	97 Å²	97	111 Å²	111	45%	0.453	55%	0.547	S	S	.	.			cis	-173.8	132.3	-31.4	-118.6	174.7	15.7	0	0	109.8
2215	Q	31.2	Very low	31.7	Very low	107 Å²	107	109.5 Å²	109.5	50%	0.5	53%	0.533	S	S	.	.			trans	-118.8	148.2	152.6	-77.9	-167.1	49.7	0	0	107.3	L2245	Q2215-L2245 PolarHBondContact NE2-O 3.22Å; Q2215-L2245 VanDerWaalsContact NE2-O 3.07Å
2216	K	34.8	Very low	32.5	Very low	75 Å²	75	108.8 Å²	108.8	33%	0.326	54%	0.538	S	S	.	.			cis	70.4	54	-7.1	-129.9	167	-163.4	170.6	0	122.2	L2380 D2381	K2216-L2380 PolarHBondContact NZ-O 2.85Å; K2216-D2381 WeakPolarHBondContact CD-O 3.42Å; K2216-D2381 PolarHBondContact NZ-O 3.28Å
2217	K	34.3	Very low	32.5	Very low	169 Å²	169	111.7 Å²	111.7	74%	0.735	55%	0.551	S	S	*	*			trans	-168.4	163.1	131.3	-103	146.8	-165.5	160.4	0	113.5
2218	I	32.2	Very low	32.6	Very low	119 Å²	119	118 Å²	118	61%	0.61	57%	0.567	S	S	*	*			trans	-146.2	148.3	173.1	-50.4	176.5	0	0	0	108.9
2219	H	30.9	Very low	33	Very low	132 Å²	132	114.2 Å²	114.2	61%	0.611	55%	0.552	S	S	*	*			trans	94	133.5	172.3	-57.4	-26	0	0	0	115.1
2220	R	30	Very low	33.7	Very low	197 Å²	197	115 Å²	115	74%	0.743	56%	0.561	S	S	*	*			cis	-171.4	137.2	2	-118.1	175.8	-169.5	153.7	5.2	109.8
2221	K	24.2	Very low	33.9	Very low	165 Å²	165	119.2 Å²	119.2	72%	0.717	57%	0.567	S	S	*	*			trans	52.2	94	172.3	-79.1	-165.2	170.5	-165.5	0	113.2
2222	S	27.1	Very low	34.5	Very low	50 Å²	50	118.2 Å²	118.2	35%	0.35	56%	0.564	S	S	.	*				57.8	142.3	84.2	79.2	0	0	0	0	114	E2240	S2222-E2240 WeakPolarHBondContact CA-OE1 3.49Å
2223	H	33.3	Very low	34.6	Very low	110 Å²	110	118.3 Å²	118.3	51%	0.509	57%	0.565	S	S	.	*				-169.3	125.1	110.1	-90.6	-46.6	0	0	0	112.3	I2225 E2240 Y2267	H2223-I2225 WeakPolarHBondContact O-CG1 3.12Å; H2223-I2225 PolarHBondContact O-N 3.03Å; H2223-I2225 VanDerWaalsContact O-N 3.07Å; H2223-E2240 VanDerWaalsContact N-CD 3.29Å; H2223-E2240 PolarHBondContact N-OE1 3.06Å; H2223-Y2267 PolarHBondContact O-OH 3.18Å
2224	S	28.3	Very low	34.2	Very low	16 Å²	16	122.4 Å²	122.4	11%	0.112	58%	0.581	C	S	.	*			trans	-52.6	122.1	158.2	163.4	0	0	0	0	107.8	T2226 Y2267 L2268 P2277	S2224-T2226 PolarHBondContact O-N 3.38Å; S2224-Y2267 VanDerWaalsContact N-CE2 3.3Å; S2224-L2268 WeakPolarHBondContact OG-CD2 3.31Å; S2224-L2268 WeakPolarHBondContact OG-CG 3.08Å; S2224-P2277 VanDerWaalsContact OG-CG 3.23Å; S2224-P2277 WeakPolarHBondContact OG-CG 3.18Å
2225	I	38.9	Very low	34	Very low	91 Å²	91	120.8 Å²	120.8	47%	0.467	59%	0.59	S	S	.	*	S	Bend	trans	-78.9	73.1	-153	-60	-176.4	0	0	0	111.7	H2223 N2227 L2268	H2223-I2225 WeakPolarHBondContact O-CG1 3.12Å; H2223-I2225 PolarHBondContact O-N 3.03Å; H2223-I2225 VanDerWaalsContact O-N 3.07Å; I2225-N2227 VanDerWaalsContact C-CB 3.46Å; I2225-N2227 HydrophobicContact CG2-CB 3.64Å; I2225-N2227 VanDerWaalsContact CG2-ND2 3.29Å; I2225-N2227 WeakPolarHBondContact CG2-ND2 3.11Å; I2225-N2227 WeakPolarHBondContact O-CB 3.31Å; I2225-L2268 HydrophobicContact CB-CD1 3.97Å; I2225-L2268 HydrophobicContact CD1-CD1 4.49Å; I2225-L2268 HydrophobicContact CG1-CD1 3.97Å
2226	T	48	Very low	34.1	Very low	112 Å²	112	119.1 Å²	119.1	69%	0.687	58%	0.584	S	S	*	*			trans	-126.5	71	164.3	58.3	0	0	0	0	108	S2224	S2224-T2226 PolarHBondContact O-N 3.38Å
2227	N	29.3	Very low	34	Very low	96 Å²	96	122.3 Å²	122.3	51%	0.513	60%	0.6	S	S	.	*			cis	48.5	78.8	46.7	-159.5	-9.3	0	0	0	112.7	I2225	I2225-N2227 VanDerWaalsContact C-CB 3.46Å; I2225-N2227 HydrophobicContact CG2-CB 3.64Å; I2225-N2227 VanDerWaalsContact CG2-ND2 3.29Å; I2225-N2227 WeakPolarHBondContact CG2-ND2 3.11Å; I2225-N2227 WeakPolarHBondContact O-CB 3.31Å
2228	Y	35.1	Very low	33.9	Very low	197 Å²	197	119.4 Å²	119.4	77%	0.773	59%	0.593	S	S	*	*				-167.9	128.8	122.1	-96.9	-19.8	0	0	0	117
2229	L	38.9	Very low	34.3	Very low	110 Å²	110	120 Å²	120	58%	0.576	60%	0.597	S	S	*	*			trans	71.2	108.8	131.2	-62.5	169.5	0	0	0	121
2230	S	45.6	Very low	34.3	Very low	84 Å²	84	116.5 Å²	116.5	59%	0.587	58%	0.581	S	S	*	*				94.5	140.9	107.2	-71.4	0	0	0	0	121.1
2231	R	35.6	Very low	34.3	Very low	177 Å²	177	111 Å²	111	67%	0.668	57%	0.567	S	S	*	*			cis	-171.8	162.4	-16	-122.2	173.4	-165	121.7	0.5	110.7
2232	H	39	Very low	34.4	Very low	157 Å²	157	107.8 Å²	107.8	73%	0.727	55%	0.554	S	S	*	*				139.4	128.5	125.7	-74.3	-63.9	0	0	0	111.3
2233	D	33.5	Very low	35.1	Very low	122 Å²	122	110.9 Å²	110.9	65%	0.652	57%	0.571	S	S	*	*	S	Bend	cis	-167	142.4	-1.8	-100.9	-13.5	0	0	0	107.1
2234	E	29.5	Very low	35.4	Very low	187 Å²	187	108.6 Å²	108.6	87%	0.874	57%	0.567	S	S	*	*			cis	-142.3	125.6	3.6	-49.2	176.8	80.6	0	0	109.1
2235	G	33.8	Very low	35.9	Very low	63 Å²	63	112.2 Å²	112.2	65%	0.649	59%	0.585	S	S	*	*			trans	84.2	152.9	172.8	0	0	0	0	0	117.4
2236	D	34.2	Very low	36.9	Very low	72 Å²	72	109 Å²	109	39%	0.385	57%	0.569	S	S	.	*			cis	-161.5	98.5	4.7	-82.6	-30	0	0	0	112.8	S2027 K2028	S2027-D2236 WeakPolarHBondContact CB-O 3.21Å; K2028-D2236 HydrophobicContact CB-CB 4.09Å; K2028-D2236 HydrophobicContact CD-CB 4.14Å; K2028-D2236 IonicContact NZ-OD1 3.77Å; K2028-D2236 PolarHBondContact NZ-OD1 2.73Å
2237	H	32.4	Very low	37.5	Very low	142 Å²	142	108.3 Å²	108.3	66%	0.657	57%	0.569	S	S	*	*			trans	-153.3	133	171.4	-78.8	-80.9	0	0	0	112.6
2238	D	31.9	Very low	39	Very low	108 Å²	108	105.7 Å²	105.7	58%	0.578	55%	0.554	S	S	*	*			trans	-162.5	171	173	-62.7	-73.1	0	0	0	108.5	K2028	K2028-D2238 WeakPolarHBondContact CD-OD2 3.22Å; K2028-D2238 WeakPolarHBondContact CE-OD2 3.49Å; K2028-D2238 HydrophobicContact CG-CB 4.06Å; K2028-D2238 VanDerWaalsContact CG-OD2 3.3Å; K2028-D2238 WeakPolarHBondContact CG-OD2 3.35Å
2239	D	40.3	Very low	39.6	Very low	132 Å²	132	97.3 Å²	97.3	71%	0.706	53%	0.528	S	S	*	.			trans	83.1	160.7	166.1	-45.4	-35	0	0	0	120.7
2240	E	31.2	Very low	41	Very low	58 Å²	58	96.4 Å²	96.4	27%	0.271	52%	0.524	S	S	.	.			trans	-95.1	-146.5	-165	-87.8	-172.5	121.4	0	0	115.5	S2222 H2223 Y2255 Y2267	S2222-E2240 WeakPolarHBondContact CA-OE1 3.49Å; H2223-E2240 VanDerWaalsContact N-CD 3.29Å; H2223-E2240 PolarHBondContact N-OE1 3.06Å; E2240-Y2255 HydrophobicContact CB-CD2 4.34Å; E2240-Y2255 HydrophobicContact CB-CE2 3.53Å; E2240-Y2255 HydrophobicContact CG-CE2 4.31Å; E2240-Y2255 WeakPolarHBondContact OE2-CE2 3.06Å; E2240-Y2267 PolarHBondContact OE1-OH 2.77Å; E2240-Y2267 PolarHBondContact OE2-OH 2.72Å
2241	D	29.7	Very low	41.5	Very low	82 Å²	82	94.5 Å²	94.5	44%	0.439	52%	0.518	S	S	.	.			trans	-66.1	-146.7	178.4	-78.4	-71.3	0	0	0	113.5	Y2255	D2241-Y2255 HydrophobicContact CB-CD1 4.1Å; D2241-Y2255 HydrophobicContact CB-CE1 3.6Å; D2241-Y2255 PolarHBondContact N-OH 3.28Å; D2241-Y2255 PolarHBondContact O-OH 2.84Å; D2241-Y2255 VanDerWaalsContact O-OH 3.06Å
2242	E	26.7	Very low	42.7	Very low	97 Å²	97	87.8 Å²	87.8	45%	0.453	50%	0.495	S	S	.	.			trans	60.6	144.6	-148.6	-28.3	-165.4	153.5	0	0	112.5	P2253 Y2255 M2256	E2242-P2253 HydrophobicContact CB-CG 4.37Å; E2242-P2253 HydrophobicContact CG-CG 3.9Å; E2242-P2253 VanDerWaalsContact OE1-CD 3.28Å; E2242-P2253 WeakPolarHBondContact OE1-CD 2.9Å; E2242-Y2255 HydrophobicContact CG-CE1 4.03Å; E2242-Y2255 VanDerWaalsContact CG-OH 3.3Å; E2242-Y2255 WeakPolarHBondContact CG-OH 3.4Å; E2242-M2256 HydrophobicContact CG-CE 4.32Å; E2242-M2256 WeakPolarHBondContact OE1-CE 3.27Å
2243	T	42.3	Very low	43.7	Very low	116 Å²	116	81 Å²	81	71%	0.712	46%	0.464	S	S	*	.	S	Bend	cis	-146	140.9	22.2	28.2	0	0	0	0	109.9
2244	S	39	Very low	45.1	Very low	61 Å²	61	78.6 Å²	78.6	43%	0.427	45%	0.451	S	S	.	.	S	Bend	cis	-165.1	140.7	-13.1	59	0	0	0	0	110.7	Q2046	Q2046-S2244 PolarHBondContact OE1-OG 3.27Å
2245	L	38.4	Very low	46.6	Very low	93 Å²	93	72.4 Å²	72.4	49%	0.487	42%	0.42	S	S	.	.			trans	-173.4	143.3	153.9	-81.1	-158.8	0	0	0	106.6	Q2046 Q2215	Q2046-L2245 HydrophobicContact CB-CD2 3.59Å; Q2046-L2245 HydrophobicContact CG-CD2 3.86Å; Q2215-L2245 PolarHBondContact NE2-O 3.22Å; Q2215-L2245 VanDerWaalsContact NE2-O 3.07Å
2246	D	61.4	Low	48	Very low	23 Å²	23	73.4 Å²	73.4	12%	0.123	41%	0.409	C	S	.	.			trans	-129.5	-139.6	-172.8	76.5	111.2	0	0	0	111.9	Q2046 P2048 D2248 D2254	Q2046-D2246 WeakPolarHBondContact CG-OD2 3.39Å; P2048-D2246 WeakPolarHBondContact CA-OD1 3.09Å; P2048-D2246 HydrophobicContact CB-CB 4.1Å; P2048-D2246 WeakPolarHBondContact CB-OD1 3.27Å; P2048-D2246 WeakPolarHBondContact CD-OD2 3.23Å; P2048-D2246 HydrophobicContact CG-CB 3.87Å; P2048-D2246 WeakPolarHBondContact CG-OD1 3.32Å; P2048-D2246 WeakPolarHBondContact CG-OD2 3.45Å; D2246-D2248 PolarHBondContact OD1-N 3.37Å; D2246-D2254 WeakPolarHBondContact CA-OD1 3.43Å; D2246-D2254 WeakPolarHBondContact CB-OD1 3.49Å
2247	S	59.6	Low	49.3	Very low	98 Å²	98	73 Å²	73	69%	0.685	41%	0.405	S	S	*	.	S	Bend	trans	-137.7	6	179	-47.7	0	0	0	0	123.4
2248	D	61.2	Low	51.2	Low	40 Å²	40	67 Å²	67	21%	0.214	38%	0.378	C	S	.	.	S	Bend	trans	-145.5	-93.4	-177.8	-170.1	-127.1	0	0	0	122	Q2041 S2042 N2043 L2047 I2049 D2246	Q2041-D2248 VanDerWaalsContact CA-OD2 3.3Å; Q2041-D2248 WeakPolarHBondContact CA-OD2 3.4Å; Q2041-D2248 PolarHBondContact N-OD1 3.34Å; Q2041-D2248 PolarHBondContact N-OD2 2.88Å; S2042-D2248 CarbonylContact C-O 3.58Å; S2042-D2248 PolarHBondContact N-OD2 2.99Å; N2043-D2248 CarbonylContact C-O 3.4Å; N2043-D2248 PolarHBondContact N-O 3.47Å; L2047-D2248 CarbonylContact O-C 3.59Å; I2049-D2248 WeakPolarHBondContact CA-OD1 3.3Å; I2049-D2248 HydrophobicContact CB-CB 4.09Å; I2049-D2248 HydrophobicContact CD1-CB 3.89Å; I2049-D2248 HydrophobicContact CG1-CB 3.59Å; D2246-D2248 PolarHBondContact OD1-N 3.37Å
2249	G	46.7	Very low	52.8	Low	21 Å²	21	70 Å²	70	22%	0.216	39%	0.388	C	S	.	.	S	Bend	trans	-157.5	66.8	-173.5	0	0	0	0	0	123.3	S2042 L2047 P2048	S2042-G2249 WeakPolarHBondContact O-CA 3.26Å; L2047-G2249 VanDerWaalsContact C-CA 3.48Å; L2047-G2249 WeakPolarHBondContact O-CA 3.14Å; L2047-G2249 PolarHBondContact O-N 2.94Å; P2048-G2249 CarbonylContact O-C 3.35Å; P2048-G2249 VanDerWaalsContact O-C 3.31Å
2250	D	69.7	Low	54.2	Low	92 Å²	92	66 Å²	66	49%	0.492	37%	0.367	S	S	.	.	S	Bend	trans	174.3	-47	150.6	162	120.2	0	0	0	117.8	L2047 P2048 K2050	L2047-D2250 VanDerWaalsContact CD2-O 3.23Å; L2047-D2250 WeakPolarHBondContact CD2-O 3.36Å; P2048-D2250 VanDerWaalsContact CA-N 3.3Å; P2048-D2250 VanDerWaalsContact N-C 3.34Å; P2048-D2250 CarbonylContact O-C 3.6Å; P2048-D2250 WeakPolarHBondContact O-CA 3.24Å; P2048-D2250 PolarHBondContact O-N 3.07Å; K2050-D2250 HydrophobicContact CB-CB 4.3Å; K2050-D2250 HydrophobicContact CD-CB 3.64Å; K2050-D2250 VanDerWaalsContact CD-CG 3.46Å; K2050-D2250 WeakPolarHBondContact CD-OD2 3.22Å; K2050-D2250 WeakPolarHBondContact CE-OD2 3.38Å; K2050-D2250 HydrophobicContact CG-CB 3.75Å; K2050-D2250 IonicContact NZ-OD2 3.34Å; K2050-D2250 PolarHBondContact NZ-OD2 3.11Å
2251	G	55.5	Low	55.2	Low	44 Å²	44	63.7 Å²	63.7	45%	0.454	36%	0.359	S	S	.	.	S	Bend	trans	167.7	30	-168.7	0	0	0	0	0	127.4	P2048	P2048-G2251 VanDerWaalsContact CG-N 3.3Å; P2048-G2251 PolarHBondContact O-N 2.68Å
2252	I	61	Low	57.2	Low	36 Å²	36	63.3 Å²	63.3	19%	0.185	36%	0.356	C	S	.	.			trans	-137.3	146.6	174.1	-54.5	156.5	0	0	0	111.2	G2035 P2048 M2256	G2035-I2252 WeakPolarHBondContact O-CD1 3.02Å; P2048-I2252 WeakPolarHBondContact CB-O 3.25Å; P2048-I2252 WeakPolarHBondContact CG-O 3.36Å; I2252-M2256 HydrophobicContact CG2-CB 4.01Å
2253	P	58.8	Low	58.9	Low	14 Å²	14	61.5 Å²	61.5	9%	0.091	36%	0.364	C	S	.	.			trans	-85.7	150.6	171.4	-16.2	35	0	0	0	115.3	E2242 Y2255 M2256	E2242-P2253 HydrophobicContact CB-CG 4.37Å; E2242-P2253 HydrophobicContact CG-CG 3.9Å; E2242-P2253 VanDerWaalsContact OE1-CD 3.28Å; E2242-P2253 WeakPolarHBondContact OE1-CD 2.9Å; P2253-Y2255 HydrophobicContact CB-CD1 4.37Å; P2253-Y2255 HydrophobicContact CB-CE1 4.27Å; P2253-Y2255 PolarHBondContact O-N 2.95Å; P2253-Y2255 VanDerWaalsContact O-N 3.13Å; P2253-M2256 PolarHBondContact O-N 3.09Å
2254	D	62.9	Low	60	Low	71 Å²	71	59.3 Å²	59.3	38%	0.38	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-46.8	-46.1	-165.1	-39.9	3	0	0	0	115	D2246 M2256 E2257	D2246-D2254 WeakPolarHBondContact CA-OD1 3.43Å; D2246-D2254 WeakPolarHBondContact CB-OD1 3.49Å; D2254-M2256 PolarHBondContact O-N 2.77Å; D2254-E2257 WeakPolarHBondContact O-CB 3.41Å; D2254-E2257 WeakPolarHBondContact O-CG 3.24Å; D2254-E2257 PolarHBondContact O-N 3.32Å
2255	Y	61.2	Low	61.5	Low	58 Å²	58	57.7 Å²	57.7	23%	0.227	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-69.1	-4.8	-176.1	82	-81.6	0	0	0	113.9	E2240 D2241 E2242 P2253 Y2267	E2240-Y2255 HydrophobicContact CB-CD2 4.34Å; E2240-Y2255 HydrophobicContact CB-CE2 3.53Å; E2240-Y2255 HydrophobicContact CG-CE2 4.31Å; E2240-Y2255 WeakPolarHBondContact OE2-CE2 3.06Å; D2241-Y2255 HydrophobicContact CB-CD1 4.1Å; D2241-Y2255 HydrophobicContact CB-CE1 3.6Å; D2241-Y2255 PolarHBondContact N-OH 3.28Å; D2241-Y2255 PolarHBondContact O-OH 2.84Å; D2241-Y2255 VanDerWaalsContact O-OH 3.06Å; E2242-Y2255 HydrophobicContact CG-CE1 4.03Å; E2242-Y2255 VanDerWaalsContact CG-OH 3.3Å; E2242-Y2255 WeakPolarHBondContact CG-OH 3.4Å; P2253-Y2255 HydrophobicContact CB-CD1 4.37Å; P2253-Y2255 HydrophobicContact CB-CE1 4.27Å; P2253-Y2255 PolarHBondContact O-N 2.95Å; P2253-Y2255 VanDerWaalsContact O-N 3.13Å; Y2255-Y2267 WeakPolarHBondContact O-CE1 3.28Å
2256	M	63.7	Low	62.9	Low	83 Å²	83	55.9 Å²	55.9	41%	0.409	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-110.8	18.1	171.1	-70.7	-139.7	-77.5	0	0	113.7	E2242 I2252 P2253 D2254	E2242-M2256 HydrophobicContact CG-CE 4.32Å; E2242-M2256 WeakPolarHBondContact OE1-CE 3.27Å; I2252-M2256 HydrophobicContact CG2-CB 4.01Å; P2253-M2256 PolarHBondContact O-N 3.09Å; D2254-M2256 PolarHBondContact O-N 2.77Å
2257	E	61.1	Low	63.2	Low	65 Å²	65	57.9 Å²	57.9	30%	0.304	33%	0.332	S	S	.	.			trans	-70.1	159.5	162.4	-65.6	-153.7	90	0	0	112.5	D2254 P2265	D2254-E2257 WeakPolarHBondContact O-CB 3.41Å; D2254-E2257 WeakPolarHBondContact O-CG 3.24Å; D2254-E2257 PolarHBondContact O-N 3.32Å; E2257-P2265 WeakPolarHBondContact O-CA 3.43Å; E2257-P2265 VanDerWaalsContact O-CB 3.25Å; E2257-P2265 WeakPolarHBondContact O-CB 3.49Å
2258	D	72.6	Confident	63.6	Low	16 Å²	16	55 Å²	55	9%	0.086	31%	0.309	C	S	.	.			trans	-157.6	77.3	-168.5	157.7	26.5	0	0	0	104.2	S2036 N2260 G2261 D2262 G2263 D2266	S2036-D2258 WeakPolarHBondContact CB-OD2 3.45Å; D2258-N2260 PolarHBondContact O-N 3.28Å; D2258-G2261 VanDerWaalsContact CG-CA 3.49Å; D2258-G2261 WeakPolarHBondContact O-CA 3.4Å; D2258-G2261 PolarHBondContact O-N 2.64Å; D2258-G2261 WeakPolarHBondContact OD1-CA 3.15Å; D2258-G2261 PolarHBondContact OD1-N 3.5Å; D2258-G2261 WeakPolarHBondContact OD2-CA 3.24Å; D2258-D2262 PolarHBondContact OD1-N 2.75Å; D2258-G2263 PolarHBondContact OD1-N 2.65Å; D2258-G2263 VanDerWaalsContact OD2-CA 3.29Å; D2258-G2263 WeakPolarHBondContact OD2-CA 3.26Å; D2258-G2263 PolarHBondContact OD2-N 3.21Å; D2258-D2266 PolarHBondContact N-OD2 3.19Å
2259	E	66.6	Low	63.9	Low	169 Å²	169	56.2 Å²	56.2	79%	0.79	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-35.6	-169.2	-87.5	-149.9	126.3	0	0	111.9	D2266	E2259-D2266 PolarHBondContact N-OD1 3.05Å; E2259-D2266 PolarHBondContact N-OD2 3.45Å; E2259-D2266 VanDerWaalsContact N-OD2 3.1Å
2260	N	68.1	Low	65.2	Low	50 Å²	50	57 Å²	57	27%	0.267	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-9.1	-178.8	85.1	66.8	0	0	0	114.1	Q2055 D2258 D2262 E2269	Q2055-N2260 PolarHBondContact N-O 3.45Å; D2258-N2260 PolarHBondContact O-N 3.28Å; N2260-D2262 PolarHBondContact O-N 3.09Å; N2260-D2262 WeakPolarHBondContact OD1-CB 3.11Å; N2260-E2269 VanDerWaalsContact ND2-CD 3.26Å; N2260-E2269 PolarHBondContact ND2-OE1 2.74Å; N2260-E2269 PolarHBondContact ND2-OE2 2.8Å; N2260-E2269 VanDerWaalsContact ND2-OE2 3.09Å
2261	G	52.6	Low	65.2	Low	9 Å²	9	58.4 Å²	58.4	9%	0.093	32%	0.32	C	S	.	.			trans	72.5	21.6	167.6	0	0	0	0	0	115.7	S2036 E2054 D2258	S2036-G2261 WeakPolarHBondContact OG-CA 3.39Å; E2054-G2261 VanDerWaalsContact CA-O 3.3Å; E2054-G2261 WeakPolarHBondContact CA-O 3Å; E2054-G2261 PolarHBondContact N-O 3.34Å; D2258-G2261 VanDerWaalsContact CG-CA 3.49Å; D2258-G2261 WeakPolarHBondContact O-CA 3.4Å; D2258-G2261 PolarHBondContact O-N 2.64Å; D2258-G2261 WeakPolarHBondContact OD1-CA 3.15Å; D2258-G2261 PolarHBondContact OD1-N 3.5Å; D2258-G2261 WeakPolarHBondContact OD2-CA 3.24Å
2262	D	71.3	Confident	65.9	Low	73 Å²	73	56.4 Å²	56.4	39%	0.39	30%	0.299	S	S	.	.	S	Bend	trans	-80.6	-26.8	-177.5	173.4	-69.4	0	0	0	112.3	D2258 N2260	D2258-D2262 PolarHBondContact OD1-N 2.75Å; N2260-D2262 PolarHBondContact O-N 3.09Å; N2260-D2262 WeakPolarHBondContact OD1-CB 3.11Å
2263	G	62.8	Low	65.7	Low	59 Å²	59	59.8 Å²	59.8	61%	0.608	32%	0.317	S	S	*	.	S	Bend	trans	110.3	24.1	-179	0	0	0	0	0	114.3	D2258	D2258-G2263 PolarHBondContact OD1-N 2.65Å; D2258-G2263 VanDerWaalsContact OD2-CA 3.29Å; D2258-G2263 WeakPolarHBondContact OD2-CA 3.26Å; D2258-G2263 PolarHBondContact OD2-N 3.21Å
2264	I	66.7	Low	66.4	Low	70 Å²	70	62.5 Å²	62.5	36%	0.359	33%	0.331	S	S	.	.	S	Bend	trans	-131.6	123.5	176.5	-61.9	-179.9	0	0	0	106.6	L2268	I2264-L2268 HydrophobicContact CG2-CB 3.77Å; I2264-L2268 HydrophobicContact CG2-CD1 4.45Å; I2264-L2268 HydrophobicContact CG2-CD2 4.27Å; I2264-L2268 HydrophobicContact CG2-CG 4.35Å
2265	P	69.2	Low	66.7	Low	27 Å²	27	61.6 Å²	61.6	18%	0.175	34%	0.338	C	S	.	.			trans	-64.6	154.4	176.2	-27.7	37	0	0	0	114.3	E2257 Y2267 L2268	E2257-P2265 WeakPolarHBondContact O-CA 3.43Å; E2257-P2265 VanDerWaalsContact O-CB 3.25Å; E2257-P2265 WeakPolarHBondContact O-CB 3.49Å; P2265-Y2267 HydrophobicContact CB-CD1 3.72Å; P2265-Y2267 HydrophobicContact CB-CE1 3.51Å; P2265-Y2267 HydrophobicContact CG-CE1 4.22Å; P2265-Y2267 PolarHBondContact O-N 2.84Å; P2265-L2268 HydrophobicContact CG-CD1 4.49Å; P2265-L2268 WeakPolarHBondContact O-CA 3.39Å; P2265-L2268 WeakPolarHBondContact O-CB 3.32Å; P2265-L2268 PolarHBondContact O-N 3.31Å
2266	D	68.1	Low	67.1	Low	55 Å²	55	61.8 Å²	61.8	29%	0.294	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-68.4	-35.8	-165.5	-51.4	-53.5	0	0	0	113.2	D2258 E2259 L2268 E2269	D2258-D2266 PolarHBondContact N-OD2 3.19Å; E2259-D2266 PolarHBondContact N-OD1 3.05Å; E2259-D2266 PolarHBondContact N-OD2 3.45Å; E2259-D2266 VanDerWaalsContact N-OD2 3.1Å; D2266-L2268 PolarHBondContact O-N 2.64Å; D2266-E2269 PolarHBondContact O-N 3Å; D2266-E2269 VanDerWaalsContact O-N 3.09Å
2267	Y	67.2	Low	67.4	Low	65 Å²	65	58.5 Å²	58.5	26%	0.255	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-66.3	-0.5	172.1	81.3	-73.1	0	0	0	114.4	H2223 S2224 E2240 Y2255 P2265 H2279	H2223-Y2267 PolarHBondContact O-OH 3.18Å; S2224-Y2267 VanDerWaalsContact N-CE2 3.3Å; E2240-Y2267 PolarHBondContact OE1-OH 2.77Å; E2240-Y2267 PolarHBondContact OE2-OH 2.72Å; Y2255-Y2267 WeakPolarHBondContact O-CE1 3.28Å; P2265-Y2267 HydrophobicContact CB-CD1 3.72Å; P2265-Y2267 HydrophobicContact CB-CE1 3.51Å; P2265-Y2267 HydrophobicContact CG-CE1 4.22Å; P2265-Y2267 PolarHBondContact O-N 2.84Å; Y2267-H2279 PolarHBondContact O-CE1 3.1Å; Y2267-H2279 VanDerWaalsContact O-CE1 3.24Å
2268	L	68.3	Low	67.7	Low	37 Å²	37	56.9 Å²	56.9	19%	0.194	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-112.4	-1.8	-178.8	-136.1	169.2	0	0	0	111.8	S2224 I2225 I2264 P2265 D2266	S2224-L2268 WeakPolarHBondContact OG-CD2 3.31Å; S2224-L2268 WeakPolarHBondContact OG-CG 3.08Å; I2225-L2268 HydrophobicContact CB-CD1 3.97Å; I2225-L2268 HydrophobicContact CD1-CD1 4.49Å; I2225-L2268 HydrophobicContact CG1-CD1 3.97Å; I2264-L2268 HydrophobicContact CG2-CB 3.77Å; I2264-L2268 HydrophobicContact CG2-CD1 4.45Å; I2264-L2268 HydrophobicContact CG2-CD2 4.27Å; I2264-L2268 HydrophobicContact CG2-CG 4.35Å; P2265-L2268 HydrophobicContact CG-CD1 4.49Å; P2265-L2268 WeakPolarHBondContact O-CA 3.39Å; P2265-L2268 WeakPolarHBondContact O-CB 3.32Å; P2265-L2268 PolarHBondContact O-N 3.31Å; D2266-L2268 PolarHBondContact O-N 2.64Å
2269	E	67.1	Low	67.6	Low	66 Å²	66	61.9 Å²	61.9	31%	0.308	34%	0.343	S	S	.	.			trans	-70.7	152.1	175.1	-59	-141.9	105.9	0	0	112.2	N2260 D2266 P2277 D2278	N2260-E2269 VanDerWaalsContact ND2-CD 3.26Å; N2260-E2269 PolarHBondContact ND2-OE1 2.74Å; N2260-E2269 PolarHBondContact ND2-OE2 2.8Å; N2260-E2269 VanDerWaalsContact ND2-OE2 3.09Å; D2266-E2269 PolarHBondContact O-N 3Å; D2266-E2269 VanDerWaalsContact O-N 3.09Å; E2269-P2277 WeakPolarHBondContact O-CA 3.3Å; E2269-P2277 WeakPolarHBondContact O-CB 3.39Å; E2269-D2278 VanDerWaalsContact C-OD2 3.29Å; E2269-D2278 PolarHBondContact O-N 2.6Å; E2269-D2278 VanDerWaalsContact O-N 3.15Å
2270	D	74.3	Confident	67.6	Low	37 Å²	37	59.2 Å²	59.2	20%	0.198	33%	0.334	C	S	.	.			trans	-151.6	68.9	-169.8	160.9	28.2	0	0	0	102.4	D2272 N2273 D2274 G2275 D2278	D2270-D2272 PolarHBondContact O-N 3.01Å; D2270-N2273 VanDerWaalsContact CG-CA 3.46Å; D2270-N2273 VanDerWaalsContact O-CA 3.32Å; D2270-N2273 WeakPolarHBondContact O-CA 3.24Å; D2270-N2273 PolarHBondContact O-N 2.99Å; D2270-N2273 PolarHBondContact O-ND2 2.99Å; D2270-N2273 WeakPolarHBondContact OD1-CA 3.37Å; D2270-N2273 PolarHBondContact OD1-N 2.98Å; D2270-N2273 WeakPolarHBondContact OD2-CA 3.34Å; D2270-D2274 PolarHBondContact OD1-N 2.82Å; D2270-G2275 PolarHBondContact OD1-N 3.27Å; D2270-G2275 VanDerWaalsContact OD2-CA 3.31Å; D2270-G2275 WeakPolarHBondContact OD2-CA 3.14Å; D2270-G2275 PolarHBondContact OD2-N 3.43Å; D2270-D2278 WeakPolarHBondContact CA-OD1 3.16Å; D2270-D2278 WeakPolarHBondContact CA-OD2 3.15Å; D2270-D2278 PolarHBondContact N-OD2 2.79Å
2271	D	69.9	Low	67.3	Low	122 Å²	122	58.9 Å²	58.9	65%	0.652	33%	0.331	S	S	*	.	S	Bend	trans	-65.9	-31.8	-170.4	-152.1	11.4	0	0	0	110.4	D2278	D2271-D2278 PolarHBondContact N-OD1 3.11Å; D2271-D2278 PolarHBondContact N-OD2 3.24Å
2272	D	70.3	Confident	68.1	Low	2 Å²	2	61.8 Å²	61.8	1%	0.011	35%	0.35	C	S	.	.	S	Bend	trans	-51.9	-47.2	160.7	170.4	-56	0	0	0	111.2	Q2064 Q2065 N2066 D2270 D2274	Q2064-D2272 VanDerWaalsContact CG-O 3.27Å; Q2064-D2272 WeakPolarHBondContact CG-O 3.28Å; Q2064-D2272 PolarHBondContact NE2-O 2.96Å; Q2065-D2272 VanDerWaalsContact CA-OD2 3.32Å; Q2065-D2272 WeakPolarHBondContact CA-OD2 3.32Å; Q2065-D2272 WeakPolarHBondContact CB-OD2 3.18Å; Q2065-D2272 HydrophobicContact CG-CB 4.13Å; Q2065-D2272 WeakPolarHBondContact CG-O 3.37Å; Q2065-D2272 VanDerWaalsContact CG-OD1 3.26Å; Q2065-D2272 WeakPolarHBondContact CG-OD1 3.21Å; Q2065-D2272 VanDerWaalsContact CG-OD2 3.25Å; Q2065-D2272 WeakPolarHBondContact CG-OD2 3.33Å; Q2065-D2272 PolarHBondContact NE2-O 3.01Å; Q2065-D2272 PolarHBondContact NE2-OD1 3.4Å; N2066-D2272 PolarHBondContact N-OD2 2.77Å; D2270-D2272 PolarHBondContact O-N 3.01Å; D2272-D2274 WeakPolarHBondContact OD1-CB 3.28Å; D2272-D2274 PolarHBondContact OD1-N 2.97Å
2273	N	56.8	Low	68.2	Low	107 Å²	107	58.3 Å²	58.3	57%	0.572	33%	0.331	S	S	*	.			trans	70.7	34.9	-177.7	-104.7	-124.3	0	0	0	113.9	Q2065 D2270	Q2065-N2273 VanDerWaalsContact NE2-C 3.28Å; Q2065-N2273 PolarHBondContact NE2-O 2.86Å; D2270-N2273 VanDerWaalsContact CG-CA 3.46Å; D2270-N2273 VanDerWaalsContact O-CA 3.32Å; D2270-N2273 WeakPolarHBondContact O-CA 3.24Å; D2270-N2273 PolarHBondContact O-N 2.99Å; D2270-N2273 PolarHBondContact O-ND2 2.99Å; D2270-N2273 WeakPolarHBondContact OD1-CA 3.37Å; D2270-N2273 PolarHBondContact OD1-N 2.98Å; D2270-N2273 WeakPolarHBondContact OD2-CA 3.34Å
2274	D	73.4	Confident	68.4	Low	72 Å²	72	57.3 Å²	57.3	39%	0.385	32%	0.315	S	S	.	.	S	Bend	trans	-97.6	-17.3	168.8	122.5	-22	0	0	0	114.9	Q2065 K2068 D2270 D2272	Q2065-D2274 VanDerWaalsContact NE2-N 3.17Å; K2068-D2274 WeakPolarHBondContact CE-OD2 3.35Å; K2068-D2274 IonicContact NZ-OD2 3.31Å; K2068-D2274 PolarHBondContact NZ-OD2 3.31Å; D2270-D2274 PolarHBondContact OD1-N 2.82Å; D2272-D2274 WeakPolarHBondContact OD1-CB 3.28Å; D2272-D2274 PolarHBondContact OD1-N 2.97Å
2275	G	70	Confident	68.4	Low	51 Å²	51	58.2 Å²	58.2	53%	0.526	32%	0.32	S	S	.	.	S	Bend	trans	110	22.2	174.5	0	0	0	0	0	115.2	D2270	D2270-G2275 PolarHBondContact OD1-N 3.27Å; D2270-G2275 VanDerWaalsContact OD2-CA 3.31Å; D2270-G2275 WeakPolarHBondContact OD2-CA 3.14Å; D2270-G2275 PolarHBondContact OD2-N 3.43Å
2276	I	68.6	Low	68.1	Low	63 Å²	63	57 Å²	57	32%	0.323	31%	0.313	S	S	.	.	S	Bend	trans	-120.3	126	167.4	-61.9	173.6	0	0	0	106.2	L2280 E2281	I2276-L2280 HydrophobicContact CG2-CB 3.81Å; I2276-E2281 HydrophobicContact CB-CG 4.33Å; I2276-E2281 VanDerWaalsContact CD1-OE1 3.26Å; I2276-E2281 WeakPolarHBondContact CD1-OE1 2.94Å; I2276-E2281 HydrophobicContact CG2-CG 4.04Å
2277	P	71.1	Confident	68.3	Low	14 Å²	14	59.4 Å²	59.4	9%	0.091	33%	0.326	C	S	.	.			trans	-63.5	142.8	176.7	-21.9	33.3	0	0	0	111.3	S2224 E2269 H2279 L2280	S2224-P2277 VanDerWaalsContact OG-CG 3.23Å; S2224-P2277 WeakPolarHBondContact OG-CG 3.18Å; E2269-P2277 WeakPolarHBondContact O-CA 3.3Å; E2269-P2277 WeakPolarHBondContact O-CB 3.39Å; P2277-H2279 PolarHBondContact O-N 2.63Å; P2277-H2279 VanDerWaalsContact O-N 3.08Å; P2277-L2280 WeakPolarHBondContact O-CB 3.36Å; P2277-L2280 PolarHBondContact O-N 3.34Å
2278	D	67.7	Low	68.4	Low	30 Å²	30	58.2 Å²	58.2	16%	0.16	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-58.7	-35.5	-163.6	-55.2	-49.6	0	0	0	112.7	E2269 D2270 D2271 L2280 E2281	E2269-D2278 VanDerWaalsContact C-OD2 3.29Å; E2269-D2278 PolarHBondContact O-N 2.6Å; E2269-D2278 VanDerWaalsContact O-N 3.15Å; D2270-D2278 WeakPolarHBondContact CA-OD1 3.16Å; D2270-D2278 WeakPolarHBondContact CA-OD2 3.15Å; D2270-D2278 PolarHBondContact N-OD2 2.79Å; D2271-D2278 PolarHBondContact N-OD1 3.11Å; D2271-D2278 PolarHBondContact N-OD2 3.24Å; D2278-L2280 PolarHBondContact O-N 3Å; D2278-E2281 PolarHBondContact O-N 2.9Å
2279	H	68.7	Low	68.1	Low	121 Å²	121	59.9 Å²	59.9	56%	0.56	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-63.8	-0.7	174.3	75.8	-92.6	0	0	0	115.9	Y2267 P2277	Y2267-H2279 PolarHBondContact O-CE1 3.1Å; Y2267-H2279 VanDerWaalsContact O-CE1 3.24Å; P2277-H2279 PolarHBondContact O-N 2.63Å; P2277-H2279 VanDerWaalsContact O-N 3.08Å
2280	L	67.5	Low	68.2	Low	114 Å²	114	57.1 Å²	57.1	60%	0.597	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-118.9	-2.3	174.6	-61.5	178.6	0	0	0	113.6	I2276 P2277 D2278	I2276-L2280 HydrophobicContact CG2-CB 3.81Å; P2277-L2280 WeakPolarHBondContact O-CB 3.36Å; P2277-L2280 PolarHBondContact O-N 3.34Å; D2278-L2280 PolarHBondContact O-N 3Å
2281	E	62.4	Low	68	Low	42 Å²	42	58 Å²	58	20%	0.196	33%	0.334	C	S	.	.	S	Bend	trans	-80.1	-165.9	166.4	-76.8	-67	100.3	0	0	110.3	I2276 D2278	I2276-E2281 HydrophobicContact CB-CG 4.33Å; I2276-E2281 VanDerWaalsContact CD1-OE1 3.26Å; I2276-E2281 WeakPolarHBondContact CD1-OE1 2.94Å; I2276-E2281 HydrophobicContact CG2-CG 4.04Å; D2278-E2281 PolarHBondContact O-N 2.9Å
2282	S	69.3	Low	67.9	Low	70 Å²	70	59 Å²	59	49%	0.49	33%	0.33	S	S	.	.	S	Bend	trans	-155.2	43.8	175.4	-55.4	0	0	0	0	110.4	R2067 P2290 D2291	R2067-S2282 PolarHBondContact NH1-O 3.45Å; S2282-P2290 WeakPolarHBondContact O-CA 3.45Å; S2282-D2291 WeakPolarHBondContact CA-OD2 2.94Å
2283	D	72.5	Confident	67.9	Low	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	160.1	73.7	-166.9	-179.3	-31.5	0	0	0	104.4	R2067 G2286 D2287 G2288 I2289 D2291	R2067-D2283 HydrophobicContact CB-CB 3.63Å; R2067-D2283 WeakPolarHBondContact CB-OD2 3.17Å; R2067-D2283 VanDerWaalsContact CD-CB 3.42Å; R2067-D2283 WeakPolarHBondContact CD-OD2 3.41Å; R2067-D2283 HydrophobicContact CG-CB 4.1Å; R2067-D2283 IonicContact CZ-OD2 3.13Å; R2067-D2283 VanDerWaalsContact NE-CB 3.35Å; R2067-D2283 IonicContact NE-OD2 2.73Å; R2067-D2283 PolarHBondContact NE-OD2 2.59Å; R2067-D2283 IonicContact NH2-OD2 3.34Å; R2067-D2283 PolarHBondContact NH2-OD2 3.26Å; D2283-G2286 PolarHBondContact O-N 2.83Å; D2283-G2286 WeakPolarHBondContact OD1-CA 3.13Å; D2283-G2286 PolarHBondContact OD1-N 2.9Å; D2283-G2286 VanDerWaalsContact OD1-N 3.13Å; D2283-D2287 PolarHBondContact OD1-N 3.47Å; D2283-D2287 VanDerWaalsContact OD1-N 3.16Å; D2283-G2288 PolarHBondContact OD1-N 3.19Å; D2283-G2288 WeakPolarHBondContact OD2-CA 3.29Å; D2283-G2288 PolarHBondContact OD2-N 2.98Å; D2283-G2288 VanDerWaalsContact OD2-N 3.09Å; D2283-I2289 WeakPolarHBondContact CA-O 3.44Å; D2283-I2289 WeakPolarHBondContact CB-O 3.41Å; D2283-I2289 PolarHBondContact OD2-N 3.18Å; D2283-I2289 VanDerWaalsContact OD2-O 3.11Å; D2283-D2291 WeakPolarHBondContact CA-OD1 3.33Å; D2283-D2291 PolarHBondContact N-OD1 3.46Å; D2283-D2291 PolarHBondContact N-OD2 3.25Å; D2283-D2291 VanDerWaalsContact N-OD2 3.16Å
2284	S	66.8	Low	68.4	Low	38 Å²	38	60 Å²	60	27%	0.266	33%	0.332	S	S	.	.	S	Bend	trans	-71.9	-32	-160.8	-61.8	0	0	0	0	114.2	D2291	S2284-D2291 WeakPolarHBondContact CB-OD1 3.22Å; S2284-D2291 PolarHBondContact N-OD1 2.73Å; S2284-D2291 PolarHBondContact OG-OD1 3.21Å
2285	D	68.1	Low	68.3	Low	89 Å²	89	59.2 Å²	59.2	48%	0.476	33%	0.328	S	S	.	.	S	Bend	trans	-81.1	-23.8	172.3	122.4	-54.9	0	0	0	112.2	Q2065 D2287	Q2065-D2285 WeakPolarHBondContact CA-O 3.41Å; Q2065-D2285 PolarHBondContact N-O 2.86Å; D2285-D2287 WeakPolarHBondContact OD1-CA 3.45Å; D2285-D2287 WeakPolarHBondContact OD1-CB 3.25Å; D2285-D2287 PolarHBondContact OD1-N 2.85Å
2286	G	61.5	Low	68.2	Low	1 Å²	1	62.9 Å²	62.9	1%	0.01	34%	0.335	C	S	.	.			trans	89	6.7	176.3	0	0	0	0	0	116.2	Q2065 N2066 R2067 D2283 G2288	Q2065-G2286 VanDerWaalsContact C-C 3.42Å; Q2065-G2286 CarbonylContact C-O 3.54Å; Q2065-G2286 VanDerWaalsContact O-O 3.09Å; N2066-G2286 CarbonylContact C-O 3.18Å; N2066-G2286 WeakPolarHBondContact CA-O 3.23Å; N2066-G2286 VanDerWaalsContact N-CA 3.34Å; N2066-G2286 PolarHBondContact N-O 3.22Å; R2067-G2286 PolarHBondContact N-O 2.63Å; D2283-G2286 PolarHBondContact O-N 2.83Å; D2283-G2286 WeakPolarHBondContact OD1-CA 3.13Å; D2283-G2286 PolarHBondContact OD1-N 2.9Å; D2283-G2286 VanDerWaalsContact OD1-N 3.13Å; G2286-G2288 PolarHBondContact O-N 2.9Å; G2286-G2288 VanDerWaalsContact O-N 3.13Å
2287	D	73	Confident	68.4	Low	107 Å²	107	65.8 Å²	65.8	57%	0.572	35%	0.351	S	S	*	.	S	Bend	trans	-48.3	-37	178.5	154.6	-72.9	0	0	0	113.3	D2283 D2285 I2289	D2283-D2287 PolarHBondContact OD1-N 3.47Å; D2283-D2287 VanDerWaalsContact OD1-N 3.16Å; D2285-D2287 WeakPolarHBondContact OD1-CA 3.45Å; D2285-D2287 WeakPolarHBondContact OD1-CB 3.25Å; D2285-D2287 PolarHBondContact OD1-N 2.85Å; D2287-I2289 WeakPolarHBondContact OD1-CD1 3.41Å; D2287-I2289 WeakPolarHBondContact OD1-CG1 3.41Å; D2287-I2289 PolarHBondContact OD1-N 2.63Å
2288	G	69.1	Low	67.9	Low	40 Å²	40	67.6 Å²	67.6	41%	0.412	37%	0.373	S	S	.	.	S	Bend	trans	121.7	1.4	-170.6	0	0	0	0	0	114.6	R2067 D2283 G2286	R2067-G2288 VanDerWaalsContact NH2-C 3.32Å; R2067-G2288 PolarHBondContact NH2-O 3.42Å; D2283-G2288 PolarHBondContact OD1-N 3.19Å; D2283-G2288 WeakPolarHBondContact OD2-CA 3.29Å; D2283-G2288 PolarHBondContact OD2-N 2.98Å; D2283-G2288 VanDerWaalsContact OD2-N 3.09Å; G2286-G2288 PolarHBondContact O-N 2.9Å; G2286-G2288 VanDerWaalsContact O-N 3.13Å
2289	I	62.6	Low	68	Low	71 Å²	71	71 Å²	71	36%	0.364	39%	0.391	S	S	.	.	S	Bend	trans	-108.1	136.4	176.5	-65.4	167.8	0	0	0	109.5	D2283 D2287 M2293 E2294	D2283-I2289 WeakPolarHBondContact CA-O 3.44Å; D2283-I2289 WeakPolarHBondContact CB-O 3.41Å; D2283-I2289 PolarHBondContact OD2-N 3.18Å; D2283-I2289 VanDerWaalsContact OD2-O 3.11Å; D2287-I2289 WeakPolarHBondContact OD1-CD1 3.41Å; D2287-I2289 WeakPolarHBondContact OD1-CG1 3.41Å; D2287-I2289 PolarHBondContact OD1-N 2.63Å; I2289-M2293 VanDerWaalsContact CG2-C 3.47Å; I2289-M2293 WeakPolarHBondContact CG2-O 3.5Å; I2289-E2294 HydrophobicContact CB-CG 4.18Å; I2289-E2294 HydrophobicContact CG2-CB 4.37Å; I2289-E2294 HydrophobicContact CG2-CG 3.66Å
2290	P	69.4	Low	67.9	Low	8 Å²	8	67.8 Å²	67.8	5%	0.052	39%	0.391	C	S	.	.			trans	-70.4	150.4	178	3.9	11.3	0	0	0	110	S2282 Y2292 M2293 E2294	S2282-P2290 WeakPolarHBondContact O-CA 3.45Å; P2290-Y2292 HydrophobicContact CB-CD1 3.5Å; P2290-Y2292 VanDerWaalsContact CB-CD1 3.5Å; P2290-Y2292 HydrophobicContact CB-CE1 3.37Å; P2290-Y2292 HydrophobicContact CB-CG 4.21Å; P2290-Y2292 HydrophobicContact CG-CD1 4.31Å; P2290-Y2292 HydrophobicContact CG-CE1 3.88Å; P2290-Y2292 PolarHBondContact O-N 2.69Å; P2290-Y2292 VanDerWaalsContact O-N 3.15Å; P2290-M2293 HydrophobicContact CG-CB 3.91Å; P2290-M2293 HydrophobicContact CG-CE 3.6Å; P2290-M2293 HydrophobicContact CG-CG 4.25Å; P2290-M2293 CarbonylContact O-C 3.34Å; P2290-M2293 WeakPolarHBondContact O-CA 3.14Å; P2290-M2293 PolarHBondContact O-N 3.18Å; P2290-E2294 WeakPolarHBondContact O-CG 3.29Å; P2290-E2294 PolarHBondContact O-N 3.14Å
2291	D	69.6	Low	67.8	Low	57 Å²	57	64 Å²	64	31%	0.305	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-51.9	-42.8	172.3	-12	-96	0	0	0	111	S2282 D2283 S2284 M2293 E2294	S2282-D2291 WeakPolarHBondContact CA-OD2 2.94Å; D2283-D2291 WeakPolarHBondContact CA-OD1 3.33Å; D2283-D2291 PolarHBondContact N-OD1 3.46Å; D2283-D2291 PolarHBondContact N-OD2 3.25Å; D2283-D2291 VanDerWaalsContact N-OD2 3.16Å; S2284-D2291 WeakPolarHBondContact CB-OD1 3.22Å; S2284-D2291 PolarHBondContact N-OD1 2.73Å; S2284-D2291 PolarHBondContact OG-OD1 3.21Å; D2291-M2293 PolarHBondContact O-N 2.66Å; D2291-E2294 WeakPolarHBondContact CA-OE2 3.47Å; D2291-E2294 PolarHBondContact O-N 2.96Å
2292	Y	68.6	Low	68.2	Low	143 Å²	143	63.2 Å²	63.2	56%	0.561	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-73.6	-1.1	175	79.4	-90.4	0	0	0	115.7	P2290 Y2304	P2290-Y2292 HydrophobicContact CB-CD1 3.5Å; P2290-Y2292 VanDerWaalsContact CB-CD1 3.5Å; P2290-Y2292 HydrophobicContact CB-CE1 3.37Å; P2290-Y2292 HydrophobicContact CB-CG 4.21Å; P2290-Y2292 HydrophobicContact CG-CD1 4.31Å; P2290-Y2292 HydrophobicContact CG-CE1 3.88Å; P2290-Y2292 PolarHBondContact O-N 2.69Å; P2290-Y2292 VanDerWaalsContact O-N 3.15Å; Y2292-Y2304 VanDerWaalsContact O-CD1 3.25Å; Y2292-Y2304 WeakPolarHBondContact O-CD1 3.43Å; Y2292-Y2304 WeakPolarHBondContact O-CE1 3.25Å
2293	M	68.7	Low	68.2	Low	89 Å²	89	62.9 Å²	62.9	44%	0.438	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-130.5	19.9	164.5	-58.7	-172	-77.4	0	0	112.9	I2289 P2290 D2291 P2302	I2289-M2293 VanDerWaalsContact CG2-C 3.47Å; I2289-M2293 WeakPolarHBondContact CG2-O 3.5Å; P2290-M2293 HydrophobicContact CG-CB 3.91Å; P2290-M2293 HydrophobicContact CG-CE 3.6Å; P2290-M2293 HydrophobicContact CG-CG 4.25Å; P2290-M2293 CarbonylContact O-C 3.34Å; P2290-M2293 WeakPolarHBondContact O-CA 3.14Å; P2290-M2293 PolarHBondContact O-N 3.18Å; D2291-M2293 PolarHBondContact O-N 2.66Å; M2293-P2302 HydrophobicContact CB-CG 4.07Å; M2293-P2302 HydrophobicContact CG-CG 4.37Å
2294	E	66.8	Low	68.1	Low	40 Å²	40	68.7 Å²	68.7	19%	0.187	39%	0.386	C	S	.	.			trans	-71.2	152.8	165.1	-80	-179.5	135.5	0	0	109.8	I2289 P2290 D2291 P2302 N2303	I2289-E2294 HydrophobicContact CB-CG 4.18Å; I2289-E2294 HydrophobicContact CG2-CB 4.37Å; I2289-E2294 HydrophobicContact CG2-CG 3.66Å; P2290-E2294 WeakPolarHBondContact O-CG 3.29Å; P2290-E2294 PolarHBondContact O-N 3.14Å; D2291-E2294 WeakPolarHBondContact CA-OE2 3.47Å; D2291-E2294 PolarHBondContact O-N 2.96Å; E2294-P2302 CarbonylContact O-C 3.49Å; E2294-P2302 WeakPolarHBondContact O-CA 3.15Å; E2294-P2302 WeakPolarHBondContact O-CB 3.07Å; E2294-N2303 PolarHBondContact O-N 3.23Å; E2294-N2303 VanDerWaalsContact O-N 3.1Å; E2294-N2303 PolarHBondContact O-OD1 3.07Å
2295	D	71.7	Confident	68.2	Low	56 Å²	56	70 Å²	70	30%	0.299	39%	0.39	S	S	.	.			trans	-148.9	69.3	-155.8	165.8	28.9	0	0	0	104.2	D2297 G2298 D2299 G2300	D2295-D2297 VanDerWaalsContact C-N 3.3Å; D2295-D2297 PolarHBondContact O-N 3.21Å; D2295-G2298 WeakPolarHBondContact O-CA 3.28Å; D2295-G2298 PolarHBondContact O-N 2.76Å; D2295-G2298 VanDerWaalsContact OD1-CA 3.24Å; D2295-G2298 WeakPolarHBondContact OD1-CA 3.36Å; D2295-G2298 PolarHBondContact OD1-N 2.77Å; D2295-D2299 PolarHBondContact OD1-N 2.87Å; D2295-D2299 VanDerWaalsContact OD1-N 3.11Å; D2295-G2300 PolarHBondContact OD1-N 3.03Å; D2295-G2300 VanDerWaalsContact OD2-CA 3.25Å; D2295-G2300 WeakPolarHBondContact OD2-CA 3.4Å; D2295-G2300 PolarHBondContact OD2-N 3.2Å; D2295-G2300 VanDerWaalsContact OD2-N 3.14Å
2296	D	69.2	Low	68.3	Low	127 Å²	127	68.9 Å²	68.9	68%	0.679	38%	0.382	S	S	*	.	S	Bend	trans	-68	-28.3	-163	-79.5	-36.4	0	0	0	113.3	N2303	D2296-N2303 PolarHBondContact N-OD1 3.01Å; D2296-N2303 VanDerWaalsContact N-OD1 3.07Å; D2296-N2303 PolarHBondContact OD2-ND2 3.04Å
2297	D	71.8	Confident	68.8	Low	124 Å²	124	70.2 Å²	70.2	66%	0.663	39%	0.389	S	S	*	.	S	Bend	trans	-72.5	-41.9	167.7	167.3	-82.1	0	0	0	111.9	D2295 D2299	D2295-D2297 VanDerWaalsContact C-N 3.3Å; D2295-D2297 PolarHBondContact O-N 3.21Å; D2297-D2299 WeakPolarHBondContact OD1-CB 3.15Å; D2297-D2299 PolarHBondContact OD1-N 2.77Å
2298	G	61.1	Low	68.5	Low	53 Å²	53	72.5 Å²	72.5	55%	0.546	40%	0.396	S	S	.	.			trans	91.3	19.8	-178.1	0	0	0	0	0	115.5	D2295 G2300	D2295-G2298 WeakPolarHBondContact O-CA 3.28Å; D2295-G2298 PolarHBondContact O-N 2.76Å; D2295-G2298 VanDerWaalsContact OD1-CA 3.24Å; D2295-G2298 WeakPolarHBondContact OD1-CA 3.36Å; D2295-G2298 PolarHBondContact OD1-N 2.77Å; G2298-G2300 VanDerWaalsContact C-N 3.32Å
2299	D	70	Confident	68.4	Low	100 Å²	100	74.4 Å²	74.4	54%	0.535	40%	0.397	S	S	.	.	S	Bend	trans	-60	-40.2	170.4	173.5	-86.7	0	0	0	112.1	D2295 D2297 V2301	D2295-D2299 PolarHBondContact OD1-N 2.87Å; D2295-D2299 VanDerWaalsContact OD1-N 3.11Å; D2297-D2299 WeakPolarHBondContact OD1-CB 3.15Å; D2297-D2299 PolarHBondContact OD1-N 2.77Å; D2299-V2301 WeakPolarHBondContact OD1-CG2 3.49Å
2300	G	65.7	Low	68.2	Low	54 Å²	54	79.5 Å²	79.5	56%	0.557	42%	0.419	S	S	*	.	S	Bend	trans	105.7	20.4	-167.3	0	0	0	0	0	114.6	D2295 G2298	D2295-G2300 PolarHBondContact OD1-N 3.03Å; D2295-G2300 VanDerWaalsContact OD2-CA 3.25Å; D2295-G2300 WeakPolarHBondContact OD2-CA 3.4Å; D2295-G2300 PolarHBondContact OD2-N 3.2Å; D2295-G2300 VanDerWaalsContact OD2-N 3.14Å; G2298-G2300 VanDerWaalsContact C-N 3.32Å
2301	V	65.6	Low	68	Low	35 Å²	35	83.3 Å²	83.3	21%	0.212	44%	0.439	C	S	.	.	S	Bend	trans	-118.8	124.2	167.5	172.4	0	0	0	0	106.9	D2299 L2305 E2306	D2299-V2301 WeakPolarHBondContact OD1-CG2 3.49Å; V2301-L2305 HydrophobicContact CG1-CB 3.7Å; V2301-E2306 HydrophobicContact CG1-CG 4.05Å
2302	P	70.7	Confident	67.5	Low	26 Å²	26	80.8 Å²	80.8	17%	0.169	43%	0.426	C	S	.	.			trans	-64.6	146.6	174.8	-28.5	38.1	0	0	0	113.5	M2293 E2294 Y2304 L2305	M2293-P2302 HydrophobicContact CB-CG 4.07Å; M2293-P2302 HydrophobicContact CG-CG 4.37Å; E2294-P2302 CarbonylContact O-C 3.49Å; E2294-P2302 WeakPolarHBondContact O-CA 3.15Å; E2294-P2302 WeakPolarHBondContact O-CB 3.07Å; P2302-Y2304 HydrophobicContact CB-CD1 3.71Å; P2302-Y2304 HydrophobicContact CB-CE1 3.65Å; P2302-Y2304 HydrophobicContact CG-CE1 4.2Å; P2302-Y2304 PolarHBondContact O-N 3.31Å; P2302-L2305 PolarHBondContact O-N 3.21Å
2303	N	68.8	Low	67	Low	62 Å²	62	74.4 Å²	74.4	33%	0.332	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-45.4	-40.9	-173.6	-57.1	3.5	0	0	0	113.8	E2294 D2296 L2305 E2306	E2294-N2303 PolarHBondContact O-N 3.23Å; E2294-N2303 VanDerWaalsContact O-N 3.1Å; E2294-N2303 PolarHBondContact O-OD1 3.07Å; D2296-N2303 PolarHBondContact N-OD1 3.01Å; D2296-N2303 VanDerWaalsContact N-OD1 3.07Å; D2296-N2303 PolarHBondContact OD2-ND2 3.04Å; N2303-L2305 PolarHBondContact O-N 2.87Å; N2303-E2306 PolarHBondContact O-N 2.88Å
2304	Y	70.7	Confident	66.9	Low	122 Å²	122	70.6 Å²	70.6	48%	0.478	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-67.7	3.9	179.8	83.8	-80.6	0	0	0	115.5	Y2292 P2302 Y2316	Y2292-Y2304 VanDerWaalsContact O-CD1 3.25Å; Y2292-Y2304 WeakPolarHBondContact O-CD1 3.43Å; Y2292-Y2304 WeakPolarHBondContact O-CE1 3.25Å; P2302-Y2304 HydrophobicContact CB-CD1 3.71Å; P2302-Y2304 HydrophobicContact CB-CE1 3.65Å; P2302-Y2304 HydrophobicContact CG-CE1 4.2Å; P2302-Y2304 PolarHBondContact O-N 3.31Å; Y2304-Y2316 WeakPolarHBondContact O-CD1 3.45Å; Y2304-Y2316 VanDerWaalsContact O-CE1 3.31Å; Y2304-Y2316 WeakPolarHBondContact O-CE1 3.33Å
2305	L	69	Low	66.7	Low	65 Å²	65	70.9 Å²	70.9	34%	0.34	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-130.5	13.2	178.6	-64.1	175.7	0	0	0	112.5	V2301 P2302 N2303 Y2316	V2301-L2305 HydrophobicContact CG1-CB 3.7Å; P2302-L2305 PolarHBondContact O-N 3.21Å; N2303-L2305 PolarHBondContact O-N 2.87Å; L2305-Y2316 HydrophobicContact CD2-CE1 4.04Å
2306	E	70.3	Confident	66.5	Low	66 Å²	66	74.5 Å²	74.5	31%	0.308	40%	0.397	S	S	.	.			trans	-84.7	160.9	172.7	-61.1	-154.3	112.1	0	0	112.2	V2301 N2303 P2314 D2315	V2301-E2306 HydrophobicContact CG1-CG 4.05Å; N2303-E2306 PolarHBondContact O-N 2.88Å; E2306-P2314 CarbonylContact O-C 2.82Å; E2306-P2314 WeakPolarHBondContact O-CA 3.17Å; E2306-P2314 WeakPolarHBondContact O-CB 3.42Å; E2306-D2315 WeakPolarHBondContact O-CB 3.2Å; E2306-D2315 VanDerWaalsContact O-CG 3.26Å
2307	D	71.6	Confident	66	Low	30 Å²	30	72.4 Å²	72.4	16%	0.16	38%	0.384	C	S	.	.			trans	-143	81.3	-156.7	-177.1	-24.6	0	0	0	106.3	E2182 D2309 G2312 I2313 P2314 D2315	E2182-D2307 WeakPolarHBondContact CA-OD2 3.29Å; E2182-D2307 PolarHBondContact N-OD2 2.77Å; D2307-D2309 VanDerWaalsContact C-N 3.3Å; D2307-D2309 PolarHBondContact O-N 3.38Å; D2307-G2312 VanDerWaalsContact OD1-CA 3.28Å; D2307-G2312 WeakPolarHBondContact OD1-CA 3.28Å; D2307-G2312 WeakPolarHBondContact OD2-CA 3.08Å; D2307-I2313 PolarHBondContact OD1-N 3.42Å; D2307-I2313 PolarHBondContact OD2-N 2.95Å; D2307-P2314 HydrophobicContact CB-CB 4.17Å; D2307-D2315 VanDerWaalsContact CA-OD1 3.32Å; D2307-D2315 WeakPolarHBondContact CA-OD1 3.45Å
2308	E	67.9	Low	65.1	Low	155 Å²	155	67.8 Å²	67.8	72%	0.724	36%	0.359	S	S	*	.	S	Bend	trans	-68.1	-24.2	-165.6	-92.2	-161.8	178.2	0	0	113.5	D2315	E2308-D2315 WeakPolarHBondContact CB-OD2 3.15Å; E2308-D2315 WeakPolarHBondContact CG-OD2 3.43Å; E2308-D2315 PolarHBondContact N-OD1 3.43Å; E2308-D2315 PolarHBondContact N-OD2 3.2Å
2309	D	66.4	Low	64.7	Low	79 Å²	79	70.2 Å²	70.2	42%	0.422	36%	0.358	S	S	.	.	S	Bend	trans	-100.9	-21.7	-169.8	117.8	-50.5	0	0	0	115.6	D2307 D2311	D2307-D2309 VanDerWaalsContact C-N 3.3Å; D2307-D2309 PolarHBondContact O-N 3.38Å; D2309-D2311 VanDerWaalsContact C-N 3.3Å; D2309-D2311 PolarHBondContact O-N 3.42Å; D2309-D2311 WeakPolarHBondContact OD1-CB 3.25Å; D2309-D2311 PolarHBondContact OD1-N 2.74Å
2310	E	58.9	Low	63.7	Low	178 Å²	178	67.5 Å²	67.5	83%	0.832	35%	0.349	S	S	*	.	S	Bend	trans	60.4	7.6	-175.1	-81.1	-162.6	-172.8	0	0	117.7	G2312	E2310-G2312 PolarHBondContact O-N 3.36Å
2311	D	64.9	Low	63	Low	88 Å²	88	65.9 Å²	65.9	47%	0.471	33%	0.328	S	S	.	.	S	Bend	trans	-59.2	-27.3	155	114.4	-100.6	0	0	0	109.1	K2183 D2309 I2313	K2183-D2311 PolarHBondContact NZ-O 3.16Å; K2183-D2311 IonicContact NZ-OD2 2.83Å; K2183-D2311 PolarHBondContact NZ-OD2 3.06Å; D2309-D2311 VanDerWaalsContact C-N 3.3Å; D2309-D2311 PolarHBondContact O-N 3.42Å; D2309-D2311 WeakPolarHBondContact OD1-CB 3.25Å; D2309-D2311 PolarHBondContact OD1-N 2.74Å; D2311-I2313 VanDerWaalsContact CG-CD1 3.47Å; D2311-I2313 VanDerWaalsContact CG-CG1 3.43Å; D2311-I2313 WeakPolarHBondContact OD1-CD1 3.44Å; D2311-I2313 WeakPolarHBondContact OD1-CG1 3.36Å; D2311-I2313 VanDerWaalsContact OD2-CD1 3.24Å; D2311-I2313 WeakPolarHBondContact OD2-CD1 3.3Å
2312	G	58.9	Low	62.5	Low	4 Å²	4	74.4 Å²	74.4	4%	0.041	36%	0.356	C	S	.	.	S	Bend	trans	116.2	61.3	145.2	0	0	0	0	0	107.3	E2182 K2183 D2307 E2310	E2182-G2312 CarbonylContact C-O 2.96Å; E2182-G2312 VanDerWaalsContact CB-C 3.41Å; E2182-G2312 WeakPolarHBondContact CB-O 3.43Å; E2182-G2312 WeakPolarHBondContact CG-O 3.29Å; K2183-G2312 WeakPolarHBondContact CE-O 3.44Å; K2183-G2312 PolarHBondContact N-O 3.25Å; K2183-G2312 PolarHBondContact NZ-O 3.47Å; D2307-G2312 VanDerWaalsContact OD1-CA 3.28Å; D2307-G2312 WeakPolarHBondContact OD1-CA 3.28Å; D2307-G2312 WeakPolarHBondContact OD2-CA 3.08Å; E2310-G2312 PolarHBondContact O-N 3.36Å
2313	I	59.3	Low	61.7	Low	10 Å²	10	76.2 Å²	76.2	5%	0.051	37%	0.365	C	S	.	.			trans	-151	108.8	-173.1	20.3	-168.3	0	0	0	110.3	K2183 Q2184 K2185 D2307 D2311 D2315	K2183-I2313 HydrophobicContact CB-CG2 3.3Å; K2183-I2313 HydrophobicContact CD-CB 4.41Å; K2183-I2313 HydrophobicContact CD-CD1 4.11Å; K2183-I2313 HydrophobicContact CD-CG1 4.48Å; K2183-I2313 HydrophobicContact CD-CG2 3.16Å; K2183-I2313 VanDerWaalsContact CE-CG2 3.46Å; K2183-I2313 HydrophobicContact CG-CB 4.47Å; K2183-I2313 HydrophobicContact CG-CG2 3Å; Q2184-I2313 HydrophobicContact CB-CB 4.22Å; Q2184-I2313 HydrophobicContact CB-CG2 3.41Å; Q2184-I2313 VanDerWaalsContact CB-CG2 3.41Å; Q2184-I2313 HydrophobicContact CG-CG2 4.47Å; Q2184-I2313 CarbonylContact O-C 3.5Å; Q2184-I2313 WeakPolarHBondContact O-CA 3.11Å; Q2184-I2313 WeakPolarHBondContact O-CB 3.06Å; Q2184-I2313 WeakPolarHBondContact O-CG2 3.11Å; K2185-I2313 WeakPolarHBondContact CA-O 3.08Å; K2185-I2313 HydrophobicContact CB-CB 3.67Å; K2185-I2313 HydrophobicContact CB-CD1 3.51Å; K2185-I2313 HydrophobicContact CB-CG1 3.58Å; K2185-I2313 HydrophobicContact CD-CD1 3.46Å; K2185-I2313 VanDerWaalsContact CD-CD1 3.46Å; K2185-I2313 HydrophobicContact CD-CG1 4.48Å; K2185-I2313 HydrophobicContact CG-CB 4.3Å; K2185-I2313 HydrophobicContact CG-CD1 3.48Å; K2185-I2313 VanDerWaalsContact CG-CD1 3.48Å; K2185-I2313 HydrophobicContact CG-CG1 4.14Å; D2307-I2313 PolarHBondContact OD1-N 3.42Å; D2307-I2313 PolarHBondContact OD2-N 2.95Å; D2311-I2313 VanDerWaalsContact CG-CD1 3.47Å; D2311-I2313 VanDerWaalsContact CG-CG1 3.43Å; D2311-I2313 WeakPolarHBondContact OD1-CD1 3.44Å; D2311-I2313 WeakPolarHBondContact OD1-CG1 3.36Å; D2311-I2313 VanDerWaalsContact OD2-CD1 3.24Å; D2311-I2313 WeakPolarHBondContact OD2-CD1 3.3Å; I2313-D2315 PolarHBondContact O-N 3.13Å
2314	P	66	Low	60.7	Low	8 Å²	8	79.2 Å²	79.2	5%	0.052	38%	0.381	C	S	.	.			trans	-65.5	98.9	-179.1	31.5	-38.2	0	0	0	115.4	E2182 Q2184 K2185 E2306 D2307 Y2316	E2182-P2314 VanDerWaalsContact C-CD 3.42Å; Q2184-P2314 CarbonylContact O-C 3.57Å; Q2184-P2314 WeakPolarHBondContact O-CA 3.13Å; Q2184-P2314 WeakPolarHBondContact O-CD 3.3Å; Q2184-P2314 VanDerWaalsContact O-O 3.08Å; K2185-P2314 CarbonylContact O-C 3.13Å; E2306-P2314 CarbonylContact O-C 2.82Å; E2306-P2314 WeakPolarHBondContact O-CA 3.17Å; E2306-P2314 WeakPolarHBondContact O-CB 3.42Å; D2307-P2314 HydrophobicContact CB-CB 4.17Å; P2314-Y2316 HydrophobicContact CB-CE1 4.43Å; P2314-Y2316 HydrophobicContact CG-CE1 4.28Å; P2314-Y2316 WeakPolarHBondContact O-CD1 3.44Å; P2314-Y2316 PolarHBondContact O-N 2.73Å
2315	D	63	Low	60.3	Low	47 Å²	47	77 Å²	77	25%	0.251	38%	0.378	S	S	.	.	S	Bend	trans	37.9	-21.9	140.8	-59.2	13.6	0	0	0	122.6	K2185 V2186 E2306 D2307 E2308 I2313	K2185-D2315 CarbonylContact O-C 3.52Å; K2185-D2315 WeakPolarHBondContact O-CA 3.15Å; K2185-D2315 PolarHBondContact O-N 2.95Å; K2185-D2315 VanDerWaalsContact O-N 3.12Å; V2186-D2315 WeakPolarHBondContact CG2-O 3.3Å; E2306-D2315 WeakPolarHBondContact O-CB 3.2Å; E2306-D2315 VanDerWaalsContact O-CG 3.26Å; D2307-D2315 VanDerWaalsContact CA-OD1 3.32Å; D2307-D2315 WeakPolarHBondContact CA-OD1 3.45Å; E2308-D2315 WeakPolarHBondContact CB-OD2 3.15Å; E2308-D2315 WeakPolarHBondContact CG-OD2 3.43Å; E2308-D2315 PolarHBondContact N-OD1 3.43Å; E2308-D2315 PolarHBondContact N-OD2 3.2Å; I2313-D2315 PolarHBondContact O-N 3.13Å
2316	Y	67.4	Low	59.5	Low	131 Å²	131	76.5 Å²	76.5	51%	0.514	39%	0.388	S	S	.	.	S	Bend	trans	-115.7	2.3	-177.3	77.8	-87.3	0	0	0	114.4	K2185 Y2304 L2305 P2314	K2185-Y2316 PolarHBondContact O-N 3.12Å; Y2304-Y2316 WeakPolarHBondContact O-CD1 3.45Å; Y2304-Y2316 VanDerWaalsContact O-CE1 3.31Å; Y2304-Y2316 WeakPolarHBondContact O-CE1 3.33Å; L2305-Y2316 HydrophobicContact CD2-CE1 4.04Å; P2314-Y2316 HydrophobicContact CB-CE1 4.43Å; P2314-Y2316 HydrophobicContact CG-CE1 4.28Å; P2314-Y2316 WeakPolarHBondContact O-CD1 3.44Å; P2314-Y2316 PolarHBondContact O-N 2.73Å
2317	M	58.7	Low	58.7	Low	84 Å²	84	77.1 Å²	77.1	41%	0.414	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-145.5	46.9	177.8	40.2	175.3	-58.9	0	0	114	Q2184 K2185	Q2184-M2317 CarbonylContact C-O 3.39Å; Q2184-M2317 HydrophobicContact CB-CE 4.42Å; Q2184-M2317 WeakPolarHBondContact CB-O 3.14Å; Q2184-M2317 HydrophobicContact CG-CE 3.94Å; K2185-M2317 PolarHBondContact N-O 3.4Å; K2185-M2317 CarbonylContact O-C 3.33Å; K2185-M2317 PolarHBondContact O-N 3.49Å
2318	E	52.1	Low	57.9	Low	27 Å²	27	77.1 Å²	77.1	13%	0.126	39%	0.394	C	S	.	.			trans	-86.7	156.1	142.6	-167.5	149.1	-148.6	0	0	109.5	K2185 V2186 N2187	K2185-E2318 HydrophobicContact CB-CB 3.55Å; K2185-E2318 HydrophobicContact CB-CG 3.98Å; K2185-E2318 HydrophobicContact CD-CB 4.17Å; K2185-E2318 HydrophobicContact CD-CG 3.76Å; K2185-E2318 VanDerWaalsContact CD-OE1 3.24Å; K2185-E2318 WeakPolarHBondContact CD-OE1 3.19Å; K2185-E2318 WeakPolarHBondContact CE-OE1 2.8Å; K2185-E2318 HydrophobicContact CG-CB 3.49Å; K2185-E2318 VanDerWaalsContact CG-CB 3.49Å; K2185-E2318 HydrophobicContact CG-CG 3.67Å; K2185-E2318 IonicContact NZ-OE1 3.72Å; K2185-E2318 PolarHBondContact NZ-OE1 3.4Å; K2185-E2318 PolarHBondContact O-N 3.11Å; V2186-E2318 VanDerWaalsContact CA-OE2 3.31Å; V2186-E2318 WeakPolarHBondContact CA-OE2 3.33Å; V2186-E2318 HydrophobicContact CB-CB 3.43Å; V2186-E2318 VanDerWaalsContact CB-CB 3.43Å; V2186-E2318 HydrophobicContact CB-CG 4.1Å; V2186-E2318 VanDerWaalsContact CB-OE2 3.31Å; V2186-E2318 WeakPolarHBondContact CB-OE2 3.07Å; V2186-E2318 HydrophobicContact CG2-CB 3.44Å; V2186-E2318 VanDerWaalsContact CG2-CB 3.44Å; V2186-E2318 HydrophobicContact CG2-CG 4.48Å; V2186-E2318 VanDerWaalsContact N-CB 3.29Å; V2186-E2318 PolarHBondContact N-OE2 2.9Å; N2187-E2318 PolarHBondContact N-OE2 2.73Å
2319	I	52.6	Low	57.2	Low	103 Å²	103	71.6 Å²	71.6	53%	0.528	37%	0.369	S	S	.	.			trans	-125.4	135.8	143	-46.9	167.1	0	0	0	100.9	P2328 N2330	I2319-P2328 WeakPolarHBondContact O-CB 3.24Å; I2319-N2330 HydrophobicContact CB-CB 4.45Å; I2319-N2330 WeakPolarHBondContact CB-OD1 3.13Å; I2319-N2330 WeakPolarHBondContact CD1-OD1 3.2Å; I2319-N2330 HydrophobicContact CG2-CB 3.65Å; I2319-N2330 VanDerWaalsContact CG2-OD1 3.31Å; I2319-N2330 WeakPolarHBondContact CG2-OD1 3.05Å
2320	A	49.2	Very low	56.6	Low	43 Å²	43	71.6 Å²	71.6	36%	0.355	37%	0.37	S	S	.	.			trans	-54.2	171	-153.1	0	0	0	0	0	115.5	P2328 D2329	A2320-P2328 CarbonylContact O-C 3.57Å; A2320-P2328 VanDerWaalsContact O-C 3.25Å; A2320-P2328 WeakPolarHBondContact O-CA 3.38Å; A2320-P2328 WeakPolarHBondContact O-CB 3.49Å; A2320-D2329 VanDerWaalsContact C-CG 3.41Å; A2320-D2329 HydrophobicContact CB-CB 4.31Å; A2320-D2329 VanDerWaalsContact CB-OD2 3.25Å; A2320-D2329 WeakPolarHBondContact CB-OD2 3.25Å; A2320-D2329 WeakPolarHBondContact O-CB 3.27Å; A2320-D2329 PolarHBondContact O-N 2.78Å; A2320-D2329 VanDerWaalsContact O-OD1 3.06Å
2321	D	51.1	Low	56.3	Low	21 Å²	21	69.1 Å²	69.1	11%	0.112	36%	0.361	C	S	.	.			trans	-153	73.9	-177	175.8	-19.7	0	0	0	107.2	K2185 N2324 G2326 I2327 D2329	K2185-D2321 IonicContact NZ-OD2 2.72Å; K2185-D2321 PolarHBondContact NZ-OD2 3.36Å; D2321-N2324 PolarHBondContact O-N 2.79Å; D2321-N2324 PolarHBondContact O-ND2 3.2Å; D2321-N2324 WeakPolarHBondContact OD1-CA 3.09Å; D2321-N2324 PolarHBondContact OD1-N 2.82Å; D2321-G2326 PolarHBondContact OD1-N 3.24Å; D2321-I2327 WeakPolarHBondContact CB-O 3.01Å; D2321-D2329 VanDerWaalsContact CA-OD1 3.22Å; D2321-D2329 WeakPolarHBondContact CA-OD1 3.41Å; D2321-D2329 PolarHBondContact N-OD1 2.73Å
2322	R	55.3	Low	55.6	Low	213 Å²	213	66.9 Å²	66.9	80%	0.804	35%	0.348	S	S	*	.	S	Bend	trans	-65.3	-44.1	-165.4	-70.6	178.4	-148.1	171.5	20.6	112.5	N2324 D2329	R2322-N2324 VanDerWaalsContact C-N 3.33Å; R2322-D2329 IonicContact CZ-OD2 3.47Å; R2322-D2329 VanDerWaalsContact CZ-OD2 3.24Å; R2322-D2329 PolarHBondContact N-OD1 3.48Å; R2322-D2329 IonicContact NE-OD2 2.77Å; R2322-D2329 PolarHBondContact NE-OD2 3.02Å; R2322-D2329 IonicContact NH2-OD2 3.96Å; R2322-D2329 PolarHBondContact NH2-OD2 2.75Å
2323	N	54.1	Low	55.4	Low	64 Å²	64	71.1 Å²	71.1	34%	0.342	37%	0.368	S	S	.	.	S	Bend	trans	-78.2	-16.3	-179.5	69.1	23.3	0	0	0	113.1	N2325 E2332	N2323-N2325 PolarHBondContact ND2-ND2 3.11Å; N2323-N2325 VanDerWaalsContact ND2-ND2 3.2Å; N2323-N2325 VanDerWaalsContact OD1-CB 3.25Å; N2323-N2325 WeakPolarHBondContact OD1-CB 3.2Å; N2323-N2325 PolarHBondContact OD1-N 3.25Å; N2323-N2325 PolarHBondContact OD1-ND2 3.38Å; N2323-E2332 VanDerWaalsContact ND2-CD 3.27Å; N2323-E2332 PolarHBondContact ND2-OE1 2.75Å; N2323-E2332 PolarHBondContact ND2-OE2 2.82Å; N2323-E2332 PolarHBondContact OD1-OE1 3.03Å
2324	N	48	Very low	55.2	Low	126 Å²	126	74.5 Å²	74.5	67%	0.674	38%	0.382	S	S	*	.			trans	66.5	30	-177.9	-121.6	-116.6	0	0	0	114.8	D2321 R2322	D2321-N2324 PolarHBondContact O-N 2.79Å; D2321-N2324 PolarHBondContact O-ND2 3.2Å; D2321-N2324 WeakPolarHBondContact OD1-CA 3.09Å; D2321-N2324 PolarHBondContact OD1-N 2.82Å; R2322-N2324 VanDerWaalsContact C-N 3.33Å
2325	N	62.1	Low	55.1	Low	76 Å²	76	75.6 Å²	75.6	41%	0.406	39%	0.388	S	S	.	.	S	Bend	trans	-73.2	-29.3	174.5	79	20.8	0	0	0	111.8	N2323 I2327 E2332	N2323-N2325 PolarHBondContact ND2-ND2 3.11Å; N2323-N2325 VanDerWaalsContact ND2-ND2 3.2Å; N2323-N2325 VanDerWaalsContact OD1-CB 3.25Å; N2323-N2325 WeakPolarHBondContact OD1-CB 3.2Å; N2323-N2325 PolarHBondContact OD1-N 3.25Å; N2323-N2325 PolarHBondContact OD1-ND2 3.38Å; N2325-I2327 WeakPolarHBondContact OD1-CB 3.18Å; N2325-I2327 PolarHBondContact OD1-N 2.64Å; N2325-E2332 PolarHBondContact ND2-OE1 3.05Å; N2325-E2332 PolarHBondContact OD1-OE1 2.7Å
2326	G	52.7	Low	55.4	Low	54 Å²	54	75 Å²	75	56%	0.557	39%	0.387	S	S	*	.	S	Bend	trans	112	4.9	179.2	0	0	0	0	0	116.2	D2321	D2321-G2326 PolarHBondContact OD1-N 3.24Å
2327	I	53.3	Low	55.2	Low	78 Å²	78	71.7 Å²	71.7	40%	0.4	38%	0.378	S	S	.	.	S	Bend	trans	-97.8	144.5	165.1	-55.6	177.9	0	0	0	107.3	D2321 N2325 L2331 E2332	D2321-I2327 WeakPolarHBondContact CB-O 3.01Å; N2325-I2327 WeakPolarHBondContact OD1-CB 3.18Å; N2325-I2327 PolarHBondContact OD1-N 2.64Å; I2327-L2331 VanDerWaalsContact CG2-C 3.43Å; I2327-L2331 HydrophobicContact CG2-CB 4.13Å; I2327-L2331 WeakPolarHBondContact CG2-O 3.03Å; I2327-E2332 HydrophobicContact CG2-CB 4.08Å
2328	P	53.2	Low	55.1	Low	30 Å²	30	71.5 Å²	71.5	20%	0.195	38%	0.379	C	S	.	.			trans	-83.5	142.5	172	32.8	-32.7	0	0	0	112.2	I2319 A2320 N2330 L2331 E2332	I2319-P2328 WeakPolarHBondContact O-CB 3.24Å; A2320-P2328 CarbonylContact O-C 3.57Å; A2320-P2328 VanDerWaalsContact O-C 3.25Å; A2320-P2328 WeakPolarHBondContact O-CA 3.38Å; A2320-P2328 WeakPolarHBondContact O-CB 3.49Å; P2328-N2330 PolarHBondContact O-N 2.74Å; P2328-L2331 HydrophobicContact CG-CB 4.1Å; P2328-L2331 HydrophobicContact CG-CD1 4.01Å; P2328-L2331 HydrophobicContact CG-CG 4.27Å; P2328-L2331 CarbonylContact O-C 3.51Å; P2328-L2331 WeakPolarHBondContact O-CA 3.38Å; P2328-L2331 PolarHBondContact O-N 3.06Å; P2328-E2332 PolarHBondContact O-N 2.72Å
2329	D	54.2	Low	56	Low	39 Å²	39	74.6 Å²	74.6	21%	0.209	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-32.2	-24.6	172.4	-74.8	29.3	0	0	0	116.4	A2320 D2321 R2322	A2320-D2329 VanDerWaalsContact C-CG 3.41Å; A2320-D2329 HydrophobicContact CB-CB 4.31Å; A2320-D2329 VanDerWaalsContact CB-OD2 3.25Å; A2320-D2329 WeakPolarHBondContact CB-OD2 3.25Å; A2320-D2329 WeakPolarHBondContact O-CB 3.27Å; A2320-D2329 PolarHBondContact O-N 2.78Å; A2320-D2329 VanDerWaalsContact O-OD1 3.06Å; D2321-D2329 VanDerWaalsContact CA-OD1 3.22Å; D2321-D2329 WeakPolarHBondContact CA-OD1 3.41Å; D2321-D2329 PolarHBondContact N-OD1 2.73Å; R2322-D2329 IonicContact CZ-OD2 3.47Å; R2322-D2329 VanDerWaalsContact CZ-OD2 3.24Å; R2322-D2329 PolarHBondContact N-OD1 3.48Å; R2322-D2329 IonicContact NE-OD2 2.77Å; R2322-D2329 PolarHBondContact NE-OD2 3.02Å; R2322-D2329 IonicContact NH2-OD2 3.96Å; R2322-D2329 PolarHBondContact NH2-OD2 2.75Å
2330	N	54.2	Low	56.6	Low	80 Å²	80	72.4 Å²	72.4	43%	0.428	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	2.5	-177.1	85.8	-80	0	0	0	114.2	I2319 P2328	I2319-N2330 HydrophobicContact CB-CB 4.45Å; I2319-N2330 WeakPolarHBondContact CB-OD1 3.13Å; I2319-N2330 WeakPolarHBondContact CD1-OD1 3.2Å; I2319-N2330 HydrophobicContact CG2-CB 3.65Å; I2319-N2330 VanDerWaalsContact CG2-OD1 3.31Å; I2319-N2330 WeakPolarHBondContact CG2-OD1 3.05Å; P2328-N2330 PolarHBondContact O-N 2.74Å
2331	L	51.4	Low	57.3	Low	125 Å²	125	73.7 Å²	73.7	65%	0.654	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.4	-3.1	173.8	-63.5	175.2	0	0	0	111.1	I2327 P2328 M2333	I2327-L2331 VanDerWaalsContact CG2-C 3.43Å; I2327-L2331 HydrophobicContact CG2-CB 4.13Å; I2327-L2331 WeakPolarHBondContact CG2-O 3.03Å; P2328-L2331 HydrophobicContact CG-CB 4.1Å; P2328-L2331 HydrophobicContact CG-CD1 4.01Å; P2328-L2331 HydrophobicContact CG-CG 4.27Å; P2328-L2331 CarbonylContact O-C 3.51Å; P2328-L2331 WeakPolarHBondContact O-CA 3.38Å; P2328-L2331 PolarHBondContact O-N 3.06Å; L2331-M2333 PolarHBondContact O-N 2.65Å
2332	E	50.5	Low	58.1	Low	42 Å²	42	75 Å²	75	20%	0.196	41%	0.406	C	S	.	.			trans	-71.7	109.2	156.3	-167.4	144.3	-102.3	0	0	104.2	N2323 N2325 I2327 P2328	N2323-E2332 VanDerWaalsContact ND2-CD 3.27Å; N2323-E2332 PolarHBondContact ND2-OE1 2.75Å; N2323-E2332 PolarHBondContact ND2-OE2 2.82Å; N2323-E2332 PolarHBondContact OD1-OE1 3.03Å; N2325-E2332 PolarHBondContact ND2-OE1 3.05Å; N2325-E2332 PolarHBondContact OD1-OE1 2.7Å; I2327-E2332 HydrophobicContact CG2-CB 4.08Å; P2328-E2332 PolarHBondContact O-N 2.72Å
2333	M	55.1	Low	58.7	Low	93 Å²	93	66 Å²	66	46%	0.458	37%	0.374	S	S	.	.			trans	-70.2	152	155	-66.8	166.4	76.3	0	0	105.4	L2331 D2335 I2342 L2344	L2331-M2333 PolarHBondContact O-N 2.65Å; M2333-D2335 PolarHBondContact O-N 3.21Å; M2333-I2342 HydrophobicContact CB-CB 4.27Å; M2333-I2342 HydrophobicContact CB-CD1 3.93Å; M2333-I2342 HydrophobicContact CB-CG2 4.29Å; M2333-I2342 HydrophobicContact CE-CD1 3.58Å; M2333-I2342 HydrophobicContact CG-CD1 4.35Å; M2333-I2342 HydrophobicContact SD-CD1 3.61Å; M2333-L2344 HydrophobicContact CE-CB 4.22Å; M2333-L2344 HydrophobicContact CE-CD1 3.52Å
2334	K	56.1	Low	59.2	Low	80 Å²	80	69.1 Å²	69.1	35%	0.348	39%	0.39	S	S	.	.			trans	-53.8	138	179.5	-144.8	-161.8	167.1	-147.8	0	106.8	I2342 D2343 D2349 D2362 D2363	K2334-I2342 WeakPolarHBondContact O-CA 3.04Å; K2334-I2342 WeakPolarHBondContact O-CB 3.46Å; K2334-D2343 WeakPolarHBondContact CA-OD2 3.02Å; K2334-D2343 HydrophobicContact CB-CB 3.85Å; K2334-D2343 WeakPolarHBondContact CB-OD2 3.46Å; K2334-D2343 HydrophobicContact CD-CB 4.33Å; K2334-D2343 WeakPolarHBondContact CD-OD2 3.34Å; K2334-D2343 HydrophobicContact CG-CB 4.49Å; K2334-D2343 WeakPolarHBondContact CG-OD2 3.48Å; K2334-D2343 PolarHBondContact O-N 3.44Å; K2334-D2343 VanDerWaalsContact O-OD1 3.1Å; K2334-D2349 IonicContact NZ-OD2 3.05Å; K2334-D2349 PolarHBondContact NZ-OD2 3.4Å; K2334-D2362 IonicContact NZ-OD1 3.07Å; K2334-D2362 PolarHBondContact NZ-OD1 3.37Å; K2334-D2362 IonicContact NZ-OD2 3.26Å; K2334-D2362 PolarHBondContact NZ-OD2 2.71Å; K2334-D2362 VanDerWaalsContact NZ-OD2 3.12Å; K2334-D2363 VanDerWaalsContact CE-OD2 3.22Å; K2334-D2363 WeakPolarHBondContact CE-OD2 3.28Å; K2334-D2363 IonicContact NZ-OD2 2.65Å
2335	D	62.4	Low	60.1	Low	32 Å²	32	71.6 Å²	71.6	17%	0.171	39%	0.391	C	S	.	.			trans	-155.5	70.6	-169.4	170.1	18.8	0	0	0	104.1	M2333 N2338 I2342 D2343	M2333-D2335 PolarHBondContact O-N 3.21Å; D2335-N2338 PolarHBondContact O-ND2 2.86Å; D2335-N2338 VanDerWaalsContact OD1-CA 3.3Å; D2335-N2338 WeakPolarHBondContact OD1-CA 3.47Å; D2335-I2342 HydrophobicContact CB-CG2 4.43Å; D2335-D2343 WeakPolarHBondContact CA-OD1 3.29Å; D2335-D2343 PolarHBondContact N-OD1 3.2Å; D2335-D2343 PolarHBondContact N-OD2 2.79Å; D2335-D2343 VanDerWaalsContact N-OD2 3.12Å
2336	S	69.2	Low	60.3	Low	35 Å²	35	69.6 Å²	69.6	25%	0.245	38%	0.38	C	S	.	.	S	Bend	trans	-76.2	-51.8	-156.3	-70.5	0	0	0	0	112.5	N2338 D2343 D2349	S2336-N2338 VanDerWaalsContact C-N 3.34Å; S2336-N2338 PolarHBondContact O-N 3.05Å; S2336-N2338 PolarHBondContact O-ND2 2.86Å; S2336-D2343 WeakPolarHBondContact CB-OD2 3.29Å; S2336-D2343 PolarHBondContact N-OD1 3.01Å; S2336-D2343 PolarHBondContact N-OD2 2.61Å; S2336-D2343 PolarHBondContact OG-OD2 3.11Å; S2336-D2349 CarbonylContact C-O 3.53Å; S2336-D2349 VanDerWaalsContact CB-O 3.26Å; S2336-D2349 WeakPolarHBondContact CB-O 3.33Å
2337	D	63.3	Low	61.3	Low	60 Å²	60	72.9 Å²	72.9	32%	0.321	39%	0.385	S	S	.	.	S	Bend	trans	-67.3	-28	173.2	112.7	-66.9	0	0	0	114.1	D2339 D2349 N2351	D2337-D2339 WeakPolarHBondContact OD1-CA 3.31Å; D2337-D2339 WeakPolarHBondContact OD1-CB 3.1Å; D2337-D2339 PolarHBondContact OD1-N 2.93Å; D2337-D2349 WeakPolarHBondContact CB-O 3.17Å; D2337-D2349 PolarHBondContact N-O 3.4Å; D2337-N2351 HydrophobicContact CB-CB 3.68Å
2338	N	57.4	Low	62.6	Low	81 Å²	81	70.7 Å²	70.7	43%	0.433	37%	0.374	S	S	.	.			trans	71.2	35.5	-172.8	-71	-128.6	0	0	0	116.9	D2335 S2336	D2335-N2338 PolarHBondContact O-ND2 2.86Å; D2335-N2338 VanDerWaalsContact OD1-CA 3.3Å; D2335-N2338 WeakPolarHBondContact OD1-CA 3.47Å; S2336-N2338 VanDerWaalsContact C-N 3.34Å; S2336-N2338 PolarHBondContact O-N 3.05Å; S2336-N2338 PolarHBondContact O-ND2 2.86Å
2339	D	71	Confident	63.7	Low	92 Å²	92	69.5 Å²	69.5	49%	0.492	37%	0.366	S	S	.	.	S	Bend	trans	-63.6	-55.5	165	179.9	-80.2	0	0	0	109.7	D2337	D2337-D2339 WeakPolarHBondContact OD1-CA 3.31Å; D2337-D2339 WeakPolarHBondContact OD1-CB 3.1Å; D2337-D2339 PolarHBondContact OD1-N 2.93Å
2340	G	65.5	Low	64.7	Low	57 Å²	57	69.9 Å²	69.9	59%	0.588	37%	0.368	S	S	*	.	S	Bend	trans	121.1	22	-175.8	0	0	0	0	0	115.8
2341	I	62.9	Low	65.3	Low	70 Å²	70	70.2 Å²	70.2	36%	0.359	37%	0.37	S	S	.	.	S	Bend	trans	-75.4	-167.9	145.1	-66.4	168.5	0	0	0	106.7	Y2345 D2346	I2341-Y2345 VanDerWaalsContact CG2-C 3.43Å; I2341-Y2345 WeakPolarHBondContact CG2-O 3.5Å; I2341-D2346 HydrophobicContact CB-CB 4.39Å; I2341-D2346 WeakPolarHBondContact CB-OD2 3.32Å; I2341-D2346 WeakPolarHBondContact CD1-OD2 3.33Å; I2341-D2346 HydrophobicContact CG2-CB 3.63Å; I2341-D2346 WeakPolarHBondContact CG2-OD2 2.98Å
2342	I	68.7	Low	66.5	Low	47 Å²	47	69.9 Å²	69.9	24%	0.241	37%	0.369	C	S	.	.			trans	-141.3	148	166.8	56.6	179.4	0	0	0	107	M2333 K2334 D2335 L2344 Y2345 D2346	M2333-I2342 HydrophobicContact CB-CB 4.27Å; M2333-I2342 HydrophobicContact CB-CD1 3.93Å; M2333-I2342 HydrophobicContact CB-CG2 4.29Å; M2333-I2342 HydrophobicContact CE-CD1 3.58Å; M2333-I2342 HydrophobicContact CG-CD1 4.35Å; M2333-I2342 HydrophobicContact SD-CD1 3.61Å; K2334-I2342 WeakPolarHBondContact O-CA 3.04Å; K2334-I2342 WeakPolarHBondContact O-CB 3.46Å; D2335-I2342 HydrophobicContact CB-CG2 4.43Å; I2342-L2344 PolarHBondContact O-N 2.83Å; I2342-Y2345 HydrophobicContact CD1-CD2 3.93Å; I2342-Y2345 HydrophobicContact CD1-CE2 4.2Å; I2342-Y2345 HydrophobicContact CG1-CD2 3.73Å; I2342-Y2345 HydrophobicContact CG1-CE2 4.49Å; I2342-Y2345 CarbonylContact O-C 3.39Å; I2342-Y2345 WeakPolarHBondContact O-CA 3.06Å; I2342-Y2345 PolarHBondContact O-N 3.22Å; I2342-D2346 PolarHBondContact O-N 3.21Å
2343	D	66.8	Low	67.5	Low	26 Å²	26	70.5 Å²	70.5	14%	0.139	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-16.6	-168	-59.2	16.4	0	0	0	114.9	K2334 D2335 S2336 Y2345 D2349	K2334-D2343 WeakPolarHBondContact CA-OD2 3.02Å; K2334-D2343 HydrophobicContact CB-CB 3.85Å; K2334-D2343 WeakPolarHBondContact CB-OD2 3.46Å; K2334-D2343 HydrophobicContact CD-CB 4.33Å; K2334-D2343 WeakPolarHBondContact CD-OD2 3.34Å; K2334-D2343 HydrophobicContact CG-CB 4.49Å; K2334-D2343 WeakPolarHBondContact CG-OD2 3.48Å; K2334-D2343 PolarHBondContact O-N 3.44Å; K2334-D2343 VanDerWaalsContact O-OD1 3.1Å; D2335-D2343 WeakPolarHBondContact CA-OD1 3.29Å; D2335-D2343 PolarHBondContact N-OD1 3.2Å; D2335-D2343 PolarHBondContact N-OD2 2.79Å; D2335-D2343 VanDerWaalsContact N-OD2 3.12Å; S2336-D2343 WeakPolarHBondContact CB-OD2 3.29Å; S2336-D2343 PolarHBondContact N-OD1 3.01Å; S2336-D2343 PolarHBondContact N-OD2 2.61Å; S2336-D2343 PolarHBondContact OG-OD2 3.11Å; D2343-Y2345 PolarHBondContact O-N 3.01Å; D2343-D2349 WeakPolarHBondContact CA-OD1 3.16Å; D2343-D2349 VanDerWaalsContact CB-CG 3.44Å; D2343-D2349 WeakPolarHBondContact CB-OD1 3.37Å; D2343-D2349 VanDerWaalsContact CB-OD2 3.24Å; D2343-D2349 WeakPolarHBondContact CB-OD2 3.06Å
2344	L	64.4	Low	68.2	Low	129 Å²	129	69.1 Å²	69.1	68%	0.675	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	6.6	169.4	-102.9	160.1	0	0	0	114.1	M2333 I2342	M2333-L2344 HydrophobicContact CE-CB 4.22Å; M2333-L2344 HydrophobicContact CE-CD1 3.52Å; I2342-L2344 PolarHBondContact O-N 2.83Å
2345	Y	67.3	Low	69.2	Low	178 Å²	178	67.6 Å²	67.6	70%	0.698	38%	0.379	S	S	*	.	S	Bend	trans	-161.4	11.1	-173.5	-62	-60.2	0	0	0	114	I2341 I2342 D2343	I2341-Y2345 VanDerWaalsContact CG2-C 3.43Å; I2341-Y2345 WeakPolarHBondContact CG2-O 3.5Å; I2342-Y2345 HydrophobicContact CD1-CD2 3.93Å; I2342-Y2345 HydrophobicContact CD1-CE2 4.2Å; I2342-Y2345 HydrophobicContact CG1-CD2 3.73Å; I2342-Y2345 HydrophobicContact CG1-CE2 4.49Å; I2342-Y2345 CarbonylContact O-C 3.39Å; I2342-Y2345 WeakPolarHBondContact O-CA 3.06Å; I2342-Y2345 PolarHBondContact O-N 3.22Å; D2343-Y2345 PolarHBondContact O-N 3.01Å
2346	D	67.3	Low	69.8	Low	33 Å²	33	68 Å²	68	18%	0.176	38%	0.381	C	S	.	.			trans	-106.1	161.5	160.7	-122.8	-31.7	0	0	0	106.8	I2341 I2342	I2341-D2346 HydrophobicContact CB-CB 4.39Å; I2341-D2346 WeakPolarHBondContact CB-OD2 3.32Å; I2341-D2346 WeakPolarHBondContact CD1-OD2 3.33Å; I2341-D2346 HydrophobicContact CG2-CB 3.63Å; I2341-D2346 WeakPolarHBondContact CG2-OD2 2.98Å; I2342-D2346 PolarHBondContact O-N 3.21Å
2347	D	74.3	Confident	69.9	Low	124 Å²	124	71.7 Å²	71.7	66%	0.663	40%	0.398	S	S	*	.	S	Bend	trans	-125.3	30.8	-177.8	-22.1	-69.8	0	0	0	110	P2355	D2347-P2355 WeakPolarHBondContact O-CA 3.38Å; D2347-P2355 WeakPolarHBondContact O-CB 3.26Å
2348	D	79.1	Confident	70.3	Confident	31 Å²	31	74 Å²	74	17%	0.166	41%	0.407	C	S	.	.	S	Bend	trans	-178.7	58.4	-167.5	178.4	32.2	0	0	0	108	D2350 N2351 G2353 D2356	D2348-D2350 VanDerWaalsContact C-N 3.3Å; D2348-D2350 PolarHBondContact O-N 3Å; D2348-N2351 WeakPolarHBondContact O-CA 3.14Å; D2348-N2351 PolarHBondContact O-N 2.99Å; D2348-N2351 VanDerWaalsContact OD1-CA 3.3Å; D2348-N2351 WeakPolarHBondContact OD1-CA 3.41Å; D2348-N2351 PolarHBondContact OD2-ND2 3.11Å; D2348-G2353 VanDerWaalsContact OD1-CA 3.31Å; D2348-G2353 WeakPolarHBondContact OD1-CA 3.24Å; D2348-G2353 PolarHBondContact OD1-N 3.33Å; D2348-D2356 WeakPolarHBondContact CA-OD1 3.37Å; D2348-D2356 PolarHBondContact N-OD2 3.21Å
2349	D	77.4	Confident	71	Confident	6 Å²	6	72.1 Å²	72.1	3%	0.032	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-37.8	-167.6	-111.2	10.1	0	0	0	114	K2334 S2336 D2337 D2343 D2356 D2362	K2334-D2349 IonicContact NZ-OD2 3.05Å; K2334-D2349 PolarHBondContact NZ-OD2 3.4Å; S2336-D2349 CarbonylContact C-O 3.53Å; S2336-D2349 VanDerWaalsContact CB-O 3.26Å; S2336-D2349 WeakPolarHBondContact CB-O 3.33Å; D2337-D2349 WeakPolarHBondContact CB-O 3.17Å; D2337-D2349 PolarHBondContact N-O 3.4Å; D2343-D2349 WeakPolarHBondContact CA-OD1 3.16Å; D2343-D2349 VanDerWaalsContact CB-CG 3.44Å; D2343-D2349 WeakPolarHBondContact CB-OD1 3.37Å; D2343-D2349 VanDerWaalsContact CB-OD2 3.24Å; D2343-D2349 WeakPolarHBondContact CB-OD2 3.06Å; D2349-D2356 WeakPolarHBondContact CB-OD1 3.36Å; D2349-D2356 VanDerWaalsContact N-CG 3.29Å; D2349-D2356 PolarHBondContact N-OD1 3.21Å; D2349-D2356 PolarHBondContact N-OD2 2.98Å; D2349-D2362 WeakPolarHBondContact CB-O 3.49Å
2350	D	74	Confident	71	Confident	46 Å²	46	71.7 Å²	71.7	25%	0.246	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-19.7	179.6	132.3	-60.5	0	0	0	113.3	D2348 D2352 N2364	D2348-D2350 VanDerWaalsContact C-N 3.3Å; D2348-D2350 PolarHBondContact O-N 3Å; D2350-D2352 WeakPolarHBondContact OD1-CA 3.19Å; D2350-D2352 WeakPolarHBondContact OD1-CB 3.42Å; D2350-D2352 PolarHBondContact OD1-N 3.41Å; D2350-N2364 HydrophobicContact CB-CB 4.05Å; D2350-N2364 WeakPolarHBondContact OD2-CB 3.27Å; D2350-N2364 PolarHBondContact OD2-ND2 3.44Å
2351	N	68.1	Low	71.6	Confident	87 Å²	87	70.3 Å²	70.3	47%	0.465	37%	0.374	S	S	.	.			trans	63.8	32.1	-177.3	-139.9	-106.5	0	0	0	116.7	D2337 D2348 G2353	D2337-N2351 HydrophobicContact CB-CB 3.68Å; D2348-N2351 WeakPolarHBondContact O-CA 3.14Å; D2348-N2351 PolarHBondContact O-N 2.99Å; D2348-N2351 VanDerWaalsContact OD1-CA 3.3Å; D2348-N2351 WeakPolarHBondContact OD1-CA 3.41Å; D2348-N2351 PolarHBondContact OD2-ND2 3.11Å; N2351-G2353 VanDerWaalsContact C-N 3.33Å
2352	D	76.7	Confident	72.1	Confident	118 Å²	118	68.8 Å²	68.8	63%	0.631	37%	0.366	S	S	*	.	S	Bend	trans	-65.4	-37.1	163.4	-172.3	-83.1	0	0	0	111.1	D2350	D2350-D2352 WeakPolarHBondContact OD1-CA 3.19Å; D2350-D2352 WeakPolarHBondContact OD1-CB 3.42Å; D2350-D2352 PolarHBondContact OD1-N 3.41Å
2353	G	71.6	Confident	72.2	Confident	56 Å²	56	69.3 Å²	69.3	58%	0.577	37%	0.37	S	S	*	.	S	Bend	trans	103.2	36.1	-172.6	0	0	0	0	0	113.6	D2348 N2351	D2348-G2353 VanDerWaalsContact OD1-CA 3.31Å; D2348-G2353 WeakPolarHBondContact OD1-CA 3.24Å; D2348-G2353 PolarHBondContact OD1-N 3.33Å; N2351-G2353 VanDerWaalsContact C-N 3.33Å
2354	I	69.2	Low	72.1	Confident	63 Å²	63	72.4 Å²	72.4	32%	0.323	39%	0.386	S	S	.	.	S	Bend	trans	-122.7	127.8	165.3	-57.9	175.9	0	0	0	104.8	Q2358 D2359	I2354-Q2358 VanDerWaalsContact CG2-C 3.44Å; I2354-Q2358 HydrophobicContact CG2-CB 3.79Å; I2354-Q2358 WeakPolarHBondContact CG2-O 3.29Å; I2354-D2359 HydrophobicContact CB-CB 4.4Å; I2354-D2359 HydrophobicContact CG2-CB 3.99Å
2355	P	76.8	Confident	72.4	Confident	48 Å²	48	72.2 Å²	72.2	31%	0.312	39%	0.386	S	S	.	.			trans	-65.2	159.3	178.1	-25.3	37.1	0	0	0	113.7	D2347 D2357 Q2358 D2359	D2347-P2355 WeakPolarHBondContact O-CA 3.38Å; D2347-P2355 WeakPolarHBondContact O-CB 3.26Å; P2355-D2357 WeakPolarHBondContact CB-OD1 3.44Å; P2355-D2357 PolarHBondContact O-N 3.04Å; P2355-Q2358 HydrophobicContact CB-CG 4.5Å; P2355-Q2358 CarbonylContact O-C 3.55Å; P2355-Q2358 WeakPolarHBondContact O-CA 3.15Å; P2355-Q2358 PolarHBondContact O-N 3.5Å; P2355-D2359 PolarHBondContact O-N 2.8Å
2356	D	74.8	Confident	72.3	Confident	40 Å²	40	66.4 Å²	66.4	21%	0.214	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-15	-172.9	-54.2	-39.4	0	0	0	113.7	D2348 D2349 Q2358	D2348-D2356 WeakPolarHBondContact CA-OD1 3.37Å; D2348-D2356 PolarHBondContact N-OD2 3.21Å; D2349-D2356 WeakPolarHBondContact CB-OD1 3.36Å; D2349-D2356 VanDerWaalsContact N-CG 3.29Å; D2349-D2356 PolarHBondContact N-OD1 3.21Å; D2349-D2356 PolarHBondContact N-OD2 2.98Å; D2356-Q2358 VanDerWaalsContact C-N 3.33Å
2357	D	72.5	Confident	71.7	Confident	114 Å²	114	67.9 Å²	67.9	61%	0.61	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-16	164.4	53.2	-71.7	0	0	0	113.4	P2355	P2355-D2357 WeakPolarHBondContact CB-OD1 3.44Å; P2355-D2357 PolarHBondContact O-N 3.04Å
2358	Q	70.3	Confident	71.5	Confident	108 Å²	108	65.6 Å²	65.6	51%	0.505	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-13.4	-176.8	-51.4	-151.4	-32	0	0	115.2	D1735 I2354 P2355 D2356	D1735-Q2358 PolarHBondContact O-NE2 2.87Å; I2354-Q2358 VanDerWaalsContact CG2-C 3.44Å; I2354-Q2358 HydrophobicContact CG2-CB 3.79Å; I2354-Q2358 WeakPolarHBondContact CG2-O 3.29Å; P2355-Q2358 HydrophobicContact CB-CG 4.5Å; P2355-Q2358 CarbonylContact O-C 3.55Å; P2355-Q2358 WeakPolarHBondContact O-CA 3.15Å; P2355-Q2358 PolarHBondContact O-N 3.5Å; D2356-Q2358 VanDerWaalsContact C-N 3.33Å
2359	D	72.8	Confident	70.8	Confident	42 Å²	42	65.9 Å²	65.9	23%	0.225	38%	0.376	C	S	.	.			trans	-83.2	152.9	161.3	-147.5	-32.9	0	0	0	108.9	I2354 P2355	I2354-D2359 HydrophobicContact CB-CB 4.4Å; I2354-D2359 HydrophobicContact CG2-CB 3.99Å; P2355-D2359 PolarHBondContact O-N 2.8Å
2360	D	71.5	Confident	69.6	Low	82 Å²	82	72.9 Å²	72.9	44%	0.439	40%	0.403	S	S	.	.	S	Bend	trans	-93.3	-11.2	-177.4	-102.7	-57.8	0	0	0	111.9	K2368 D2369	D2360-K2368 HydrophobicContact CB-CD 3.82Å; D2360-K2368 HydrophobicContact CB-CG 4.15Å; D2360-K2368 CarbonylContact O-C 3.55Å; D2360-K2368 WeakPolarHBondContact O-CA 3.4Å; D2360-K2368 WeakPolarHBondContact O-CB 3.5Å; D2360-K2368 WeakPolarHBondContact O-CG 3.32Å; D2360-K2368 WeakPolarHBondContact OD1-CD 3.26Å; D2360-K2368 VanDerWaalsContact OD1-CE 3.28Å; D2360-K2368 WeakPolarHBondContact OD1-CE 3.46Å; D2360-K2368 IonicContact OD1-NZ 2.66Å; D2360-K2368 PolarHBondContact OD1-NZ 2.94Å; D2360-K2368 VanDerWaalsContact OD2-CE 3.32Å; D2360-K2368 WeakPolarHBondContact OD2-CE 3.38Å; D2360-K2368 IonicContact OD2-NZ 2.69Å; D2360-K2368 PolarHBondContact OD2-NZ 3.11Å; D2360-D2369 PolarHBondContact O-N 3.17Å
2361	D	76.8	Confident	68.8	Low	29 Å²	29	77.1 Å²	77.1	16%	0.155	42%	0.421	C	S	.	.	S	Bend	trans	-149.1	66.6	-161.6	-177.7	33.8	0	0	0	109.4	D2363 N2364 G2366 V2367 D2369	D2361-D2363 PolarHBondContact O-N 3.5Å; D2361-N2364 WeakPolarHBondContact O-CA 2.88Å; D2361-N2364 PolarHBondContact O-N 3.3Å; D2361-G2366 VanDerWaalsContact OD1-CA 3.25Å; D2361-G2366 WeakPolarHBondContact OD1-CA 3.45Å; D2361-G2366 PolarHBondContact OD1-N 3.19Å; D2361-G2366 VanDerWaalsContact OD2-CA 3.31Å; D2361-G2366 WeakPolarHBondContact OD2-CA 3.36Å; D2361-G2366 PolarHBondContact OD2-N 2.96Å; D2361-V2367 PolarHBondContact OD1-N 2.84Å; D2361-D2369 PolarHBondContact N-OD2 2.77Å; D2361-D2369 VanDerWaalsContact N-OD2 3.16Å
2362	D	74.5	Confident	67.8	Low	37 Å²	37	79.1 Å²	79.1	20%	0.198	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-46.8	-164	70.5	14.8	0	0	0	115.3	K2334 D2349 D2369	K2334-D2362 IonicContact NZ-OD1 3.07Å; K2334-D2362 PolarHBondContact NZ-OD1 3.37Å; K2334-D2362 IonicContact NZ-OD2 3.26Å; K2334-D2362 PolarHBondContact NZ-OD2 2.71Å; K2334-D2362 VanDerWaalsContact NZ-OD2 3.12Å; D2349-D2362 WeakPolarHBondContact CB-O 3.49Å; D2362-D2369 VanDerWaalsContact N-CG 3.27Å; D2362-D2369 PolarHBondContact N-OD1 3.13Å; D2362-D2369 PolarHBondContact N-OD2 3.17Å
2363	D	71	Confident	66	Low	59 Å²	59	80 Å²	80	32%	0.316	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	5.1	179.2	74.1	16.5	0	0	0	114.9	K2334 D2361 D2365	K2334-D2363 VanDerWaalsContact CE-OD2 3.22Å; K2334-D2363 WeakPolarHBondContact CE-OD2 3.28Å; K2334-D2363 IonicContact NZ-OD2 2.65Å; D2361-D2363 PolarHBondContact O-N 3.5Å; D2363-D2365 PolarHBondContact O-N 3.33Å; D2363-D2365 WeakPolarHBondContact OD1-CB 3.2Å; D2363-D2365 PolarHBondContact OD1-N 3.02Å; D2363-D2365 VanDerWaalsContact OD1-N 3.15Å
2364	N	64.6	Low	64.4	Low	91 Å²	91	86.6 Å²	86.6	49%	0.487	45%	0.445	S	S	.	.	S	Bend	trans	54.6	32.3	179.1	-149.4	-69.3	0	0	0	112.5	D2350 D2361 G2366	D2350-N2364 HydrophobicContact CB-CB 4.05Å; D2350-N2364 WeakPolarHBondContact OD2-CB 3.27Å; D2350-N2364 PolarHBondContact OD2-ND2 3.44Å; D2361-N2364 WeakPolarHBondContact O-CA 2.88Å; D2361-N2364 PolarHBondContact O-N 3.3Å; N2364-G2366 VanDerWaalsContact C-N 3.33Å
2365	D	70.2	Confident	62.8	Low	124 Å²	124	89.7 Å²	89.7	66%	0.663	46%	0.462	S	S	*	.	S	Bend	trans	-69.7	-30	170	172.2	-74.4	0	0	0	111.7	D2363 V2367	D2363-D2365 PolarHBondContact O-N 3.33Å; D2363-D2365 WeakPolarHBondContact OD1-CB 3.2Å; D2363-D2365 PolarHBondContact OD1-N 3.02Å; D2363-D2365 VanDerWaalsContact OD1-N 3.15Å; D2365-V2367 WeakPolarHBondContact OD1-CG2 3.22Å
2366	G	64.4	Low	60.9	Low	56 Å²	56	94 Å²	94	58%	0.577	49%	0.488	S	S	*	.	S	Bend	trans	103.2	30.6	-175.5	0	0	0	0	0	113.4	D2361 N2364	D2361-G2366 VanDerWaalsContact OD1-CA 3.25Å; D2361-G2366 WeakPolarHBondContact OD1-CA 3.45Å; D2361-G2366 PolarHBondContact OD1-N 3.19Å; D2361-G2366 VanDerWaalsContact OD2-CA 3.31Å; D2361-G2366 WeakPolarHBondContact OD2-CA 3.36Å; D2361-G2366 PolarHBondContact OD2-N 2.96Å; N2364-G2366 VanDerWaalsContact C-N 3.33Å
2367	V	56	Low	58.9	Low	65 Å²	65	98 Å²	98	39%	0.394	51%	0.509	S	S	.	.	S	Bend	trans	-140.9	109.3	-178.3	176.5	0	0	0	0	109.1	D2361 D2365 H2371	D2361-V2367 PolarHBondContact OD1-N 2.84Å; D2365-V2367 WeakPolarHBondContact OD1-CG2 3.22Å; V2367-H2371 HydrophobicContact CG1-CB 4.16Å
2368	K	69.6	Low	57.1	Low	75 Å²	75	100.9 Å²	100.9	33%	0.326	52%	0.519	S	S	.	.			trans	-60.8	143.9	-174.9	-63.5	-160.8	171.8	-164.6	0	115.2	D2360 Y2370 H2371	D2360-K2368 HydrophobicContact CB-CD 3.82Å; D2360-K2368 HydrophobicContact CB-CG 4.15Å; D2360-K2368 CarbonylContact O-C 3.55Å; D2360-K2368 WeakPolarHBondContact O-CA 3.4Å; D2360-K2368 WeakPolarHBondContact O-CB 3.5Å; D2360-K2368 WeakPolarHBondContact O-CG 3.32Å; D2360-K2368 WeakPolarHBondContact OD1-CD 3.26Å; D2360-K2368 VanDerWaalsContact OD1-CE 3.28Å; D2360-K2368 WeakPolarHBondContact OD1-CE 3.46Å; D2360-K2368 IonicContact OD1-NZ 2.66Å; D2360-K2368 PolarHBondContact OD1-NZ 2.94Å; D2360-K2368 VanDerWaalsContact OD2-CE 3.32Å; D2360-K2368 WeakPolarHBondContact OD2-CE 3.38Å; D2360-K2368 IonicContact OD2-NZ 2.69Å; D2360-K2368 PolarHBondContact OD2-NZ 3.11Å; K2368-Y2370 VanDerWaalsContact C-N 3.3Å; K2368-Y2370 HydrophobicContact CB-CD1 4.03Å; K2368-Y2370 HydrophobicContact CB-CE1 3.67Å; K2368-Y2370 HydrophobicContact CD-CD1 4.4Å; K2368-Y2370 HydrophobicContact CD-CE1 3.42Å; K2368-Y2370 VanDerWaalsContact CD-CE1 3.42Å; K2368-Y2370 HydrophobicContact CG-CE1 4.23Å; K2368-Y2370 PolarHBondContact O-N 2.92Å; K2368-H2371 VanDerWaalsContact O-CB 3.28Å; K2368-H2371 WeakPolarHBondContact O-CB 3.42Å; K2368-H2371 PolarHBondContact O-N 3.38Å
2369	D	63.2	Low	55.5	Low	38 Å²	38	100.6 Å²	100.6	20%	0.203	52%	0.516	C	S	.	.	G	3₁₀ helix	trans	-69.7	-26.8	-160.6	-47.7	-47.5	0	0	0	113.9	D2360 D2361 D2362 H2371 E2372	D2360-D2369 PolarHBondContact O-N 3.17Å; D2361-D2369 PolarHBondContact N-OD2 2.77Å; D2361-D2369 VanDerWaalsContact N-OD2 3.16Å; D2362-D2369 VanDerWaalsContact N-CG 3.27Å; D2362-D2369 PolarHBondContact N-OD1 3.13Å; D2362-D2369 PolarHBondContact N-OD2 3.17Å; D2369-H2371 PolarHBondContact O-N 3.05Å; D2369-E2372 PolarHBondContact O-N 3.21Å
2370	Y	53.6	Low	53.7	Low	153 Å²	153	105 Å²	105	60%	0.6	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-61.6	-7.1	169.4	63.5	-107.8	0	0	0	114	K2368	K2368-Y2370 VanDerWaalsContact C-N 3.3Å; K2368-Y2370 HydrophobicContact CB-CD1 4.03Å; K2368-Y2370 HydrophobicContact CB-CE1 3.67Å; K2368-Y2370 HydrophobicContact CD-CD1 4.4Å; K2368-Y2370 HydrophobicContact CD-CE1 3.42Å; K2368-Y2370 VanDerWaalsContact CD-CE1 3.42Å; K2368-Y2370 HydrophobicContact CG-CE1 4.23Å; K2368-Y2370 PolarHBondContact O-N 2.92Å
2371	H	56	Low	52	Low	134 Å²	134	104.9 Å²	104.9	62%	0.62	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-96.2	-17	168.1	-72	-62.1	0	0	0	115.4	V2367 K2368 D2369	V2367-H2371 HydrophobicContact CG1-CB 4.16Å; K2368-H2371 VanDerWaalsContact O-CB 3.28Å; K2368-H2371 WeakPolarHBondContact O-CB 3.42Å; K2368-H2371 PolarHBondContact O-N 3.38Å; D2369-H2371 PolarHBondContact O-N 3.05Å
2372	E	49	Very low	50.2	Low	130 Å²	130	109.1 Å²	109.1	61%	0.607	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-50.2	-177.7	-87.2	-73.6	97.3	0	0	112.6	D2369 K2374	D2369-E2372 PolarHBondContact O-N 3.21Å; E2372-K2374 PolarHBondContact O-N 3.08Å; E2372-K2374 VanDerWaalsContact O-N 3.08Å
2373	D	38.1	Very low	48.5	Very low	137 Å²	137	113.9 Å²	113.9	73%	0.733	58%	0.584	S	S	*	*			trans	-88.6	84.9	-163.7	-167.8	30.6	0	0	0	116.6
2374	K	38.6	Very low	47.4	Very low	193 Å²	193	120 Å²	120	84%	0.839	61%	0.611	S	S	*	*			trans	-146	73.7	157.3	-68.4	-169.3	175.8	52.3	0	114.1	E2372	E2372-K2374 PolarHBondContact O-N 3.08Å; E2372-K2374 VanDerWaalsContact O-N 3.08Å
2375	N	34.8	Very low	46.8	Very low	128 Å²	128	117.1 Å²	117.1	68%	0.684	60%	0.6	S	S	*	*			trans	-124.1	65.8	-167.2	-152.1	-14.2	0	0	0	119.8
2376	V	37.1	Very low	46.2	Very low	140 Å²	140	116 Å²	116	85%	0.848	59%	0.589	S	S	*	*	S	Bend	trans	-132.8	77.2	157.5	-164.2	0	0	0	0	114.9
2377	N	33.4	Very low	46.5	Very low	123 Å²	123	116.1 Å²	116.1	66%	0.658	58%	0.576	S	S	*	*			trans	51.5	77.3	133.2	-79.5	-85	0	0	0	119.6
2378	Q	33.4	Very low	47.4	Very low	174 Å²	174	115 Å²	115	81%	0.813	57%	0.569	S	S	*	*				162.2	114.1	98.5	-86.8	178.7	28.6	0	0	114.5
2379	K	36.4	Very low	47.7	Very low	103 Å²	103	115 Å²	115	45%	0.448	57%	0.574	S	S	.	*			trans	67.4	84	138.5	-169.9	-168.1	-173	159.4	0	116.6
2380	L	36.8	Very low	47.9	Very low	133 Å²	133	115.9 Å²	115.9	70%	0.696	59%	0.591	S	S	*	*			trans	-139.7	15.2	150.9	-144.1	109.9	0	0	0	117.4	K2216 I2382	K2216-L2380 PolarHBondContact NZ-O 2.85Å; L2380-I2382 HydrophobicContact CD2-CD1 4Å; L2380-I2382 HydrophobicContact CD2-CG1 4.39Å; L2380-I2382 WeakPolarHBondContact O-CG1 3.45Å; L2380-I2382 PolarHBondContact O-N 3.42Å
2381	D	35.5	Very low	49.1	Very low	80 Å²	80	113.3 Å²	113.3	43%	0.428	59%	0.587	S	S	.	*			trans	-30.7	91.4	177	-10.5	-46.5	0	0	0	113.7	K2216	K2216-D2381 WeakPolarHBondContact CD-O 3.42Å; K2216-D2381 PolarHBondContact NZ-O 3.28Å
2382	I	38.3	Very low	49.8	Very low	118 Å²	118	109.5 Å²	109.5	61%	0.605	59%	0.585	S	S	*	*			trans	-119	102.6	168.8	-65.9	177.9	0	0	0	103	L2380 E2384	L2380-I2382 HydrophobicContact CD2-CD1 4Å; L2380-I2382 HydrophobicContact CD2-CG1 4.39Å; L2380-I2382 WeakPolarHBondContact O-CG1 3.45Å; L2380-I2382 PolarHBondContact O-N 3.42Å; I2382-E2384 PolarHBondContact O-N 3.28Å; I2382-E2384 VanDerWaalsContact O-N 3.14Å
2383	L	38.7	Very low	51	Low	137 Å²	137	106.5 Å²	106.5	72%	0.717	57%	0.572	S	S	*	*			trans	30.5	77.2	148.9	-64.2	159.2	0	0	0	113.4	A2385	L2383-A2385 VanDerWaalsContact C-N 3.3Å; L2383-A2385 PolarHBondContact O-N 2.77Å; L2383-A2385 VanDerWaalsContact O-N 3.17Å
2384	E	47.3	Very low	52.6	Low	187 Å²	187	101.2 Å²	101.2	87%	0.874	55%	0.546	S	S	*	.				-45.9	114.9	125.1	-71.2	123.8	-139.7	0	0	105.6	I2382	I2382-E2384 PolarHBondContact O-N 3.28Å; I2382-E2384 VanDerWaalsContact O-N 3.14Å
2385	A	53.1	Low	54.3	Low	31 Å²	31	93.1 Å²	93.1	26%	0.256	51%	0.511	S	S	.	.			trans	-81	163.7	156.4	0	0	0	0	0	107	L2383 P2394 Y2396	L2383-A2385 VanDerWaalsContact C-N 3.3Å; L2383-A2385 PolarHBondContact O-N 2.77Å; L2383-A2385 VanDerWaalsContact O-N 3.17Å; A2385-P2394 HydrophobicContact CB-CB 3.71Å; A2385-P2394 HydrophobicContact CB-CG 4.26Å; A2385-Y2396 HydrophobicContact CB-CD1 3.49Å; A2385-Y2396 VanDerWaalsContact CB-CD1 3.49Å; A2385-Y2396 HydrophobicContact CB-CE1 3.39Å
2386	K	56.2	Low	56	Low	101 Å²	101	95 Å²	95	44%	0.439	51%	0.51	S	S	.	.			trans	-62.3	143.8	169.3	-176.5	-177.1	177.4	-91.2	0	107.2	T2388 P2394 D2395 D2415	K2386-T2388 WeakPolarHBondContact CE-OG1 3.31Å; K2386-T2388 WeakPolarHBondContact CG-OG1 3.23Å; K2386-T2388 PolarHBondContact NZ-OG1 3.07Å; K2386-P2394 CarbonylContact O-C 2.86Å; K2386-P2394 VanDerWaalsContact O-C 3.25Å; K2386-P2394 VanDerWaalsContact O-CA 3.24Å; K2386-P2394 WeakPolarHBondContact O-CA 3.03Å; K2386-P2394 WeakPolarHBondContact O-CB 3.06Å; K2386-D2395 WeakPolarHBondContact CB-OD2 3.44Å; K2386-D2395 WeakPolarHBondContact CD-OD2 3.43Å; K2386-D2395 WeakPolarHBondContact CG-OD2 3.01Å; K2386-D2395 IonicContact NZ-OD2 3.41Å; K2386-D2395 WeakPolarHBondContact O-CB 3.24Å; K2386-D2395 PolarHBondContact O-N 2.82Å; K2386-D2395 VanDerWaalsContact O-OD1 3.1Å; K2386-D2415 VanDerWaalsContact CE-OD2 3.3Å; K2386-D2415 WeakPolarHBondContact CE-OD2 3.34Å; K2386-D2415 VanDerWaalsContact NZ-CB 3.31Å; K2386-D2415 IonicContact NZ-OD2 3.46Å; K2386-D2415 PolarHBondContact NZ-OD2 2.9Å
2387	D	72.7	Confident	57.7	Low	58 Å²	58	93.3 Å²	93.3	31%	0.31	50%	0.496	S	S	.	.			trans	-146.7	99.3	-170.5	-166.2	-44.6	0	0	0	101.1	G2390 D2391 G2392 P2394 D2395	D2387-G2390 WeakPolarHBondContact OD1-CA 3.41Å; D2387-G2390 PolarHBondContact OD1-N 3.02Å; D2387-D2391 PolarHBondContact OD1-N 3.07Å; D2387-G2392 PolarHBondContact OD1-N 2.74Å; D2387-G2392 VanDerWaalsContact OD2-CA 3.28Å; D2387-G2392 WeakPolarHBondContact OD2-CA 3.5Å; D2387-P2394 HydrophobicContact CB-CB 4.01Å; D2387-D2395 WeakPolarHBondContact CA-OD1 3.5Å; D2387-D2395 PolarHBondContact N-OD1 2.92Å
2388	T	74.3	Confident	59.6	Low	41 Å²	41	90.4 Å²	90.4	25%	0.252	48%	0.48	S	S	.	.	S	Bend	trans	-98.5	-31	-154.7	-63.1	0	0	0	0	112.6	K2386 D2395 D2401 D2402 D2415	K2386-T2388 WeakPolarHBondContact CE-OG1 3.31Å; K2386-T2388 WeakPolarHBondContact CG-OG1 3.23Å; K2386-T2388 PolarHBondContact NZ-OG1 3.07Å; T2388-D2395 WeakPolarHBondContact CB-OD1 3.4Å; T2388-D2395 PolarHBondContact N-OD1 3.29Å; T2388-D2395 VanDerWaalsContact N-OD1 3.09Å; T2388-D2395 VanDerWaalsContact OG1-CG 3.31Å; T2388-D2395 PolarHBondContact OG1-OD1 3.01Å; T2388-D2395 PolarHBondContact OG1-OD2 3.37Å; T2388-D2401 WeakPolarHBondContact CB-O 3.49Å; T2388-D2402 HydrophobicContact CG2-CB 4.28Å; T2388-D2415 HydrophobicContact CG2-CB 3.98Å
2389	D	75.3	Confident	61.8	Low	77 Å²	77	88.2 Å²	88.2	41%	0.412	47%	0.474	S	S	.	.	S	Bend	trans	-87.2	-27.4	166.8	78.6	-23	0	0	0	112.8	D2391 D2401	D2389-D2391 PolarHBondContact OD1-N 3.4Å; D2389-D2401 PolarHBondContact N-O 3.17Å
2390	G	67.9	Low	63.9	Low	55 Å²	55	85 Å²	85	57%	0.567	46%	0.462	S	S	*	.			trans	92.9	13.5	178.1	0	0	0	0	0	115.2	D2387 G2392	D2387-G2390 WeakPolarHBondContact OD1-CA 3.41Å; D2387-G2390 PolarHBondContact OD1-N 3.02Å; G2390-G2392 PolarHBondContact O-N 3.09Å
2391	D	78	Confident	66.1	Low	99 Å²	99	80.4 Å²	80.4	53%	0.529	44%	0.438	S	S	.	.	S	Bend	trans	-69.6	-15.2	-178.2	119.4	-46.5	0	0	0	113.8	D2387 D2389 I2393	D2387-D2391 PolarHBondContact OD1-N 3.07Å; D2389-D2391 PolarHBondContact OD1-N 3.4Å; D2391-I2393 WeakPolarHBondContact OD1-CA 3.43Å; D2391-I2393 WeakPolarHBondContact OD1-CB 3.14Å; D2391-I2393 WeakPolarHBondContact OD1-CG1 3.28Å; D2391-I2393 PolarHBondContact OD1-N 2.88Å
2392	G	72.2	Confident	68.1	Low	55 Å²	55	79.2 Å²	79.2	57%	0.567	43%	0.431	S	S	*	.	S	Bend	trans	96.2	2.8	-177.2	0	0	0	0	0	114.5	D2387 G2390 P2394	D2387-G2392 PolarHBondContact OD1-N 2.74Å; D2387-G2392 VanDerWaalsContact OD2-CA 3.28Å; D2387-G2392 WeakPolarHBondContact OD2-CA 3.5Å; G2390-G2392 PolarHBondContact O-N 3.09Å; G2392-P2394 VanDerWaalsContact O-CD 3.32Å; G2392-P2394 WeakPolarHBondContact O-CD 3.23Å
2393	I	73.1	Confident	69.7	Low	67 Å²	67	75.6 Å²	75.6	34%	0.344	42%	0.423	S	S	.	.	S	Bend	trans	-99.4	96	165	-56.4	169.4	0	0	0	108.1	D2391 D2395 L2397 D2398	D2391-I2393 WeakPolarHBondContact OD1-CA 3.43Å; D2391-I2393 WeakPolarHBondContact OD1-CB 3.14Å; D2391-I2393 WeakPolarHBondContact OD1-CG1 3.28Å; D2391-I2393 PolarHBondContact OD1-N 2.88Å; I2393-D2395 PolarHBondContact O-N 2.94Å; I2393-L2397 HydrophobicContact CG2-CB 3.79Å; I2393-D2398 HydrophobicContact CG2-CB 3.92Å
2394	P	71.1	Confident	71.6	Confident	26 Å²	26	74.2 Å²	74.2	17%	0.169	42%	0.417	C	S	.	.			trans	-70.7	120.1	-172.7	25.7	-36.3	0	0	0	113.2	A2385 K2386 D2387 G2392 Y2396 L2397	A2385-P2394 HydrophobicContact CB-CB 3.71Å; A2385-P2394 HydrophobicContact CB-CG 4.26Å; K2386-P2394 CarbonylContact O-C 2.86Å; K2386-P2394 VanDerWaalsContact O-C 3.25Å; K2386-P2394 VanDerWaalsContact O-CA 3.24Å; K2386-P2394 WeakPolarHBondContact O-CA 3.03Å; K2386-P2394 WeakPolarHBondContact O-CB 3.06Å; D2387-P2394 HydrophobicContact CB-CB 4.01Å; G2392-P2394 VanDerWaalsContact O-CD 3.32Å; G2392-P2394 WeakPolarHBondContact O-CD 3.23Å; P2394-Y2396 VanDerWaalsContact C-N 3.35Å; P2394-Y2396 HydrophobicContact CB-CD1 4.49Å; P2394-Y2396 HydrophobicContact CB-CE1 4.32Å; P2394-Y2396 HydrophobicContact CG-CD1 4.49Å; P2394-Y2396 HydrophobicContact CG-CE1 3.91Å; P2394-Y2396 WeakPolarHBondContact O-CD1 3.14Å; P2394-Y2396 PolarHBondContact O-N 2.85Å; P2394-L2397 PolarHBondContact O-N 2.65Å
2395	D	74.5	Confident	73.1	Confident	23 Å²	23	67.8 Å²	67.8	12%	0.123	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	19.2	-79	173.1	-67.7	14.5	0	0	0	114.2	K2386 D2387 T2388 I2393 L2397 D2398 D2401	K2386-D2395 WeakPolarHBondContact CB-OD2 3.44Å; K2386-D2395 WeakPolarHBondContact CD-OD2 3.43Å; K2386-D2395 WeakPolarHBondContact CG-OD2 3.01Å; K2386-D2395 IonicContact NZ-OD2 3.41Å; K2386-D2395 WeakPolarHBondContact O-CB 3.24Å; K2386-D2395 PolarHBondContact O-N 2.82Å; K2386-D2395 VanDerWaalsContact O-OD1 3.1Å; D2387-D2395 WeakPolarHBondContact CA-OD1 3.5Å; D2387-D2395 PolarHBondContact N-OD1 2.92Å; T2388-D2395 WeakPolarHBondContact CB-OD1 3.4Å; T2388-D2395 PolarHBondContact N-OD1 3.29Å; T2388-D2395 VanDerWaalsContact N-OD1 3.09Å; T2388-D2395 VanDerWaalsContact OG1-CG 3.31Å; T2388-D2395 PolarHBondContact OG1-OD1 3.01Å; T2388-D2395 PolarHBondContact OG1-OD2 3.37Å; I2393-D2395 PolarHBondContact O-N 2.94Å; D2395-L2397 PolarHBondContact O-N 3.21Å; D2395-D2398 PolarHBondContact O-N 2.9Å; D2395-D2401 VanDerWaalsContact C-OD1 3.3Å; D2395-D2401 WeakPolarHBondContact CA-OD1 3.39Å; D2395-D2401 VanDerWaalsContact O-OD1 3.11Å
2396	Y	70.4	Confident	74.1	Confident	166 Å²	166	69.5 Å²	69.5	65%	0.651	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-57.5	-1.4	-178	85.6	-75.2	0	0	0	116.6	A2385 P2394	A2385-Y2396 HydrophobicContact CB-CD1 3.49Å; A2385-Y2396 VanDerWaalsContact CB-CD1 3.49Å; A2385-Y2396 HydrophobicContact CB-CE1 3.39Å; P2394-Y2396 VanDerWaalsContact C-N 3.35Å; P2394-Y2396 HydrophobicContact CB-CD1 4.49Å; P2394-Y2396 HydrophobicContact CB-CE1 4.32Å; P2394-Y2396 HydrophobicContact CG-CD1 4.49Å; P2394-Y2396 HydrophobicContact CG-CE1 3.91Å; P2394-Y2396 WeakPolarHBondContact O-CD1 3.14Å; P2394-Y2396 PolarHBondContact O-N 2.85Å
2397	L	73	Confident	75.1	Confident	106 Å²	106	67.2 Å²	67.2	56%	0.555	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-117.6	-13.6	173.1	-70.4	-179.1	0	0	0	115.1	I2393 P2394 D2395	I2393-L2397 HydrophobicContact CG2-CB 3.79Å; P2394-L2397 PolarHBondContact O-N 2.65Å; D2395-L2397 PolarHBondContact O-N 3.21Å
2398	D	73.7	Confident	75.4	Confident	62 Å²	62	66.5 Å²	66.5	33%	0.332	40%	0.397	S	S	.	.			trans	-88.8	-174.6	167.6	-141.5	-84.3	0	0	0	111.4	I2393 D2395 D2400	I2393-D2398 HydrophobicContact CG2-CB 3.92Å; D2395-D2398 PolarHBondContact O-N 2.9Å; D2398-D2400 PolarHBondContact OD1-N 2.66Å
2399	D	78.7	Confident	75.2	Confident	128 Å²	128	69.6 Å²	69.6	68%	0.684	42%	0.419	S	S	*	.	S	Bend	trans	-125.8	9.4	169.5	-74.7	-56.9	0	0	0	110	P2407 D2408	D2399-P2407 CarbonylContact O-C 3.38Å; D2399-P2407 WeakPolarHBondContact O-CA 3.15Å; D2399-P2407 WeakPolarHBondContact O-CB 3.38Å; D2399-D2408 PolarHBondContact O-N 2.89Å; D2399-D2408 VanDerWaalsContact O-OD1 3.1Å
2400	D	82.3	Confident	75.1	Confident	34 Å²	34	72.9 Å²	72.9	18%	0.182	44%	0.436	C	S	.	.			trans	-147	53.8	-168.2	-144.3	-44.7	0	0	0	110.8	D2398 D2402 G2403 G2405 I2406 P2407 D2408	D2398-D2400 PolarHBondContact OD1-N 2.66Å; D2400-D2402 VanDerWaalsContact C-N 3.34Å; D2400-D2402 PolarHBondContact O-N 3.24Å; D2400-G2403 PolarHBondContact O-N 3.38Å; D2400-G2405 VanDerWaalsContact OD1-CA 3.27Å; D2400-G2405 WeakPolarHBondContact OD1-CA 3.5Å; D2400-G2405 PolarHBondContact OD1-N 2.86Å; D2400-G2405 VanDerWaalsContact OD1-N 3.07Å; D2400-G2405 WeakPolarHBondContact OD2-CA 3.35Å; D2400-I2406 VanDerWaalsContact OD1-C 3.28Å; D2400-I2406 PolarHBondContact OD1-N 3.28Å; D2400-P2407 WeakPolarHBondContact OD2-CD 3.46Å; D2400-D2408 PolarHBondContact N-OD1 2.81Å
2401	D	81.4	Confident	75.4	Confident	37 Å²	37	73.1 Å²	73.1	20%	0.198	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.2	-40.1	-162.6	-85.3	9.7	0	0	0	116.5	T2388 D2389 D2395	T2388-D2401 WeakPolarHBondContact CB-O 3.49Å; D2389-D2401 PolarHBondContact N-O 3.17Å; D2395-D2401 VanDerWaalsContact C-OD1 3.3Å; D2395-D2401 WeakPolarHBondContact CA-OD1 3.39Å; D2395-D2401 VanDerWaalsContact O-OD1 3.11Å
2402	D	77.9	Confident	75.3	Confident	55 Å²	55	73.5 Å²	73.5	29%	0.294	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-0.1	-176.7	89.4	-27.6	0	0	0	115.8	T2388 D2400 D2404 G2416	T2388-D2402 HydrophobicContact CG2-CB 4.28Å; D2400-D2402 VanDerWaalsContact C-N 3.34Å; D2400-D2402 PolarHBondContact O-N 3.24Å; D2402-D2404 VanDerWaalsContact C-N 3.28Å; D2402-D2404 PolarHBondContact O-N 3.34Å; D2402-D2404 WeakPolarHBondContact OD1-CB 3.41Å; D2402-D2404 PolarHBondContact OD1-N 2.8Å; D2402-D2404 VanDerWaalsContact OD1-N 3.11Å; D2402-G2416 WeakPolarHBondContact OD2-CA 3.5Å
2403	G	72.3	Confident	75.6	Confident	42 Å²	42	72.5 Å²	72.5	43%	0.433	41%	0.408	S	S	.	.	S	Bend	trans	73.6	6.2	175.3	0	0	0	0	0	115.9	D2400 G2405	D2400-G2403 PolarHBondContact O-N 3.38Å; G2403-G2405 PolarHBondContact O-N 3.48Å
2404	D	79.3	Confident	75.7	Confident	109 Å²	109	72.4 Å²	72.4	58%	0.583	41%	0.408	S	S	*	.	S	Bend	trans	-58	-30.3	174.6	172.4	-79.8	0	0	0	112.1	D2402 I2406	D2402-D2404 VanDerWaalsContact C-N 3.28Å; D2402-D2404 PolarHBondContact O-N 3.34Å; D2402-D2404 WeakPolarHBondContact OD1-CB 3.41Å; D2402-D2404 PolarHBondContact OD1-N 2.8Å; D2402-D2404 VanDerWaalsContact OD1-N 3.11Å; D2404-I2406 WeakPolarHBondContact OD1-CD1 3.23Å; D2404-I2406 WeakPolarHBondContact OD1-CG1 3.31Å
2405	G	77.3	Confident	75.8	Confident	52 Å²	52	74.4 Å²	74.4	54%	0.536	42%	0.417	S	S	.	.	S	Bend	trans	93.9	21.9	-171.2	0	0	0	0	0	113	D2400 G2403	D2400-G2405 VanDerWaalsContact OD1-CA 3.27Å; D2400-G2405 WeakPolarHBondContact OD1-CA 3.5Å; D2400-G2405 PolarHBondContact OD1-N 2.86Å; D2400-G2405 VanDerWaalsContact OD1-N 3.07Å; D2400-G2405 WeakPolarHBondContact OD2-CA 3.35Å; G2403-G2405 PolarHBondContact O-N 3.48Å
2406	I	73.9	Confident	75.5	Confident	67 Å²	67	75.3 Å²	75.3	34%	0.344	43%	0.433	S	S	.	.	S	Bend	trans	-119.7	104.5	168.1	-61.9	167.3	0	0	0	107.8	D2400 D2404 D2408 D2411	D2400-I2406 VanDerWaalsContact OD1-C 3.28Å; D2400-I2406 PolarHBondContact OD1-N 3.28Å; D2404-I2406 WeakPolarHBondContact OD1-CD1 3.23Å; D2404-I2406 WeakPolarHBondContact OD1-CG1 3.31Å; I2406-D2408 PolarHBondContact O-N 2.78Å; I2406-D2411 WeakPolarHBondContact CD1-OD2 3.47Å; I2406-D2411 HydrophobicContact CG2-CB 3.77Å; I2406-D2411 WeakPolarHBondContact CG2-OD2 3.38Å
2407	P	78.1	Confident	75.7	Confident	53 Å²	53	72.4 Å²	72.4	34%	0.344	43%	0.428	S	S	.	.			trans	-49.9	123.8	175.6	-36.6	41.1	0	0	0	113.3	D2399 D2400 C2409 D2410 D2411	D2399-P2407 CarbonylContact O-C 3.38Å; D2399-P2407 WeakPolarHBondContact O-CA 3.15Å; D2399-P2407 WeakPolarHBondContact O-CB 3.38Å; D2400-P2407 WeakPolarHBondContact OD2-CD 3.46Å; P2407-C2409 PolarHBondContact O-N 3.31Å; P2407-D2410 PolarHBondContact O-N 3.46Å; P2407-D2411 PolarHBondContact O-N 3.17Å
2408	D	77.8	Confident	75.6	Confident	43 Å²	43	69.7 Å²	69.7	23%	0.23	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-43.3	-41.4	-172.8	44.3	-93	0	0	0	112.7	D2399 D2400 I2406 D2410 D2411 D2414	D2399-D2408 PolarHBondContact O-N 2.89Å; D2399-D2408 VanDerWaalsContact O-OD1 3.1Å; D2400-D2408 PolarHBondContact N-OD1 2.81Å; I2406-D2408 PolarHBondContact O-N 2.78Å; D2408-D2410 PolarHBondContact O-N 2.98Å; D2408-D2411 PolarHBondContact O-N 3Å; D2408-D2414 HydrophobicContact CB-CB 4.3Å
2409	C	70.6	Confident	75	Confident	106 Å²	106	71.2 Å²	71.2	72%	0.716	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-60	-6.4	176.5	78.5	0	0	0	0	117.3	P2407	P2407-C2409 PolarHBondContact O-N 3.31Å
2410	D	73.9	Confident	74.6	Confident	146 Å²	146	68.5 Å²	68.5	78%	0.781	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-130.3	5.3	173	-103.2	-30.5	0	0	0	113.5	P2407 D2408	P2407-D2410 PolarHBondContact O-N 3.46Å; D2408-D2410 PolarHBondContact O-N 2.98Å
2411	D	73.1	Confident	74	Confident	60 Å²	60	70.2 Å²	70.2	32%	0.321	43%	0.428	S	S	.	.			trans	-90.9	-170.8	165.9	-146.1	-89.7	0	0	0	112.6	I2406 P2407 D2408 D2413	I2406-D2411 WeakPolarHBondContact CD1-OD2 3.47Å; I2406-D2411 HydrophobicContact CG2-CB 3.77Å; I2406-D2411 WeakPolarHBondContact CG2-OD2 3.38Å; P2407-D2411 PolarHBondContact O-N 3.17Å; D2408-D2411 PolarHBondContact O-N 3Å; D2411-D2413 PolarHBondContact OD1-N 2.83Å; D2411-D2413 VanDerWaalsContact OD1-N 3.11Å
2412	D	76.2	Confident	73.2	Confident	107 Å²	107	72.4 Å²	72.4	57%	0.572	44%	0.442	S	S	*	.	S	Bend	trans	-135.6	9.7	174	-71.7	-65.4	0	0	0	111.1	L2420 D2421	D2412-L2420 HydrophobicContact CB-CD2 3.85Å; D2412-L2420 CarbonylContact O-C 3.53Å; D2412-L2420 WeakPolarHBondContact O-CA 3.34Å; D2412-L2420 WeakPolarHBondContact O-CB 3.23Å; D2412-L2420 WeakPolarHBondContact O-CD2 3.23Å; D2412-D2421 PolarHBondContact O-N 3.46Å; D2412-D2421 VanDerWaalsContact O-OD1 3.06Å
2413	D	79.3	Confident	72.7	Confident	34 Å²	34	74.2 Å²	74.2	18%	0.182	45%	0.452	C	S	.	.			trans	-140.6	42.3	-172	-138.5	-28	0	0	0	112.7	D2411 D2415 G2416 I2419 L2420 D2421	D2411-D2413 PolarHBondContact OD1-N 2.83Å; D2411-D2413 VanDerWaalsContact OD1-N 3.11Å; D2413-D2415 PolarHBondContact O-N 2.99Å; D2413-G2416 PolarHBondContact O-N 3.05Å; D2413-I2419 PolarHBondContact OD1-N 2.82Å; D2413-I2419 VanDerWaalsContact OD1-N 3.13Å; D2413-L2420 HydrophobicContact CB-CD2 3.92Å; D2413-L2420 WeakPolarHBondContact OD1-CA 3.03Å; D2413-L2420 PolarHBondContact OD1-N 3.08Å; D2413-L2420 PolarHBondContact OD2-N 3.22Å; D2413-D2421 PolarHBondContact N-OD1 3.45Å
2414	D	75.4	Confident	72.3	Confident	64 Å²	64	75.9 Å²	75.9	34%	0.342	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-2.5	-161.6	-68.1	1.5	0	0	0	119.8	D2408	D2408-D2414 HydrophobicContact CB-CB 4.3Å
2415	D	73.7	Confident	71.9	Confident	68 Å²	68	71.8 Å²	71.8	36%	0.364	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.7	22.2	172.1	97.8	-27.2	0	0	0	116.9	K2386 T2388 D2413 D2417	K2386-D2415 VanDerWaalsContact CE-OD2 3.3Å; K2386-D2415 WeakPolarHBondContact CE-OD2 3.34Å; K2386-D2415 VanDerWaalsContact NZ-CB 3.31Å; K2386-D2415 IonicContact NZ-OD2 3.46Å; K2386-D2415 PolarHBondContact NZ-OD2 2.9Å; T2388-D2415 HydrophobicContact CG2-CB 3.98Å; D2413-D2415 PolarHBondContact O-N 2.99Å; D2415-D2417 PolarHBondContact O-N 3.41Å
2416	G	68	Low	71.3	Confident	43 Å²	43	77 Å²	77	44%	0.443	44%	0.437	S	S	.	.	S	Bend	trans	73.7	-6.3	163	0	0	0	0	0	116.6	D2402 D2413 G2418	D2402-G2416 WeakPolarHBondContact OD2-CA 3.5Å; D2413-G2416 PolarHBondContact O-N 3.05Å; G2416-G2418 PolarHBondContact O-N 2.76Å
2417	D	74.3	Confident	71	Confident	105 Å²	105	77 Å²	77	56%	0.561	44%	0.437	S	S	*	.	S	Bend	trans	-69.6	-16.9	-176.6	108.3	-39.6	0	0	0	113.7	D2415 I2419	D2415-D2417 PolarHBondContact O-N 3.41Å; D2417-I2419 WeakPolarHBondContact OD1-CG1 3.47Å; D2417-I2419 PolarHBondContact OD1-N 2.67Å
2418	G	70	Confident	70	Confident	49 Å²	49	80 Å²	80	51%	0.505	44%	0.442	S	S	.	.	S	Bend	trans	91.3	22.6	172.8	0	0	0	0	0	115.5	G2416	G2416-G2418 PolarHBondContact O-N 2.76Å
2419	I	61.8	Low	69.6	Low	93 Å²	93	78.4 Å²	78.4	48%	0.477	43%	0.434	S	S	.	.	S	Bend	trans	-127.3	49.3	171.7	55.5	156.1	0	0	0	115.5	D2413 D2417	D2413-I2419 PolarHBondContact OD1-N 2.82Å; D2413-I2419 VanDerWaalsContact OD1-N 3.13Å; D2417-I2419 WeakPolarHBondContact OD1-CG1 3.47Å; D2417-I2419 PolarHBondContact OD1-N 2.67Å
2420	L	69.7	Low	69.4	Low	72 Å²	72	80.3 Å²	80.3	38%	0.377	43%	0.43	S	S	.	.			trans	28.5	109.6	160.5	-62.3	170.5	0	0	0	114.7	D2412 D2413 T2422 D2423 E2424	D2412-L2420 HydrophobicContact CB-CD2 3.85Å; D2412-L2420 CarbonylContact O-C 3.53Å; D2412-L2420 WeakPolarHBondContact O-CA 3.34Å; D2412-L2420 WeakPolarHBondContact O-CB 3.23Å; D2412-L2420 WeakPolarHBondContact O-CD2 3.23Å; D2413-L2420 HydrophobicContact CB-CD2 3.92Å; D2413-L2420 WeakPolarHBondContact OD1-CA 3.03Å; D2413-L2420 PolarHBondContact OD1-N 3.08Å; D2413-L2420 PolarHBondContact OD2-N 3.22Å; L2420-T2422 CarbonylContact O-C 3.5Å; L2420-T2422 PolarHBondContact O-N 2.77Å; L2420-D2423 PolarHBondContact O-N 3.37Å; L2420-E2424 PolarHBondContact O-N 3.44Å
2421	D	71.1	Confident	68.5	Low	70 Å²	70	76.5 Å²	76.5	37%	0.374	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-15.6	-169.7	56.1	-86.3	0	0	0	115.8	D2412 D2413	D2412-D2421 PolarHBondContact O-N 3.46Å; D2412-D2421 VanDerWaalsContact O-OD1 3.06Å; D2413-D2421 PolarHBondContact N-OD1 3.45Å
2422	T	64.2	Low	67.9	Low	82 Å²	82	75 Å²	75	50%	0.503	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-22.1	169	69.6	0	0	0	0	116	L2420 H2434	L2420-T2422 CarbonylContact O-C 3.5Å; L2420-T2422 PolarHBondContact O-N 2.77Å; T2422-H2434 PolarHBondContact O-CE1 3.02Å; T2422-H2434 PolarHBondContact O-ND1 3.3Å
2423	D	66	Low	67	Low	93 Å²	93	72.3 Å²	72.3	50%	0.497	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	7	175.8	-95.2	-29.9	0	0	0	112.2	L2420 P2432 H2434	L2420-D2423 PolarHBondContact O-N 3.37Å; D2423-P2432 WeakPolarHBondContact O-CB 3.24Å; D2423-P2432 WeakPolarHBondContact O-CG 3.45Å; D2423-H2434 IonicContact OD1-CE1 3.28Å; D2423-H2434 PolarHBondContact OD1-CE1 2.84Å
2424	E	65.6	Low	66.2	Low	78 Å²	78	76.3 Å²	76.3	36%	0.364	41%	0.405	S	S	.	.			trans	-64.5	165.4	171.5	-114	-120.2	97.6	0	0	114.3	L2420 P2432 D2433	L2420-E2424 PolarHBondContact O-N 3.44Å; E2424-P2432 WeakPolarHBondContact O-CA 3.35Å; E2424-P2432 WeakPolarHBondContact O-CB 3.29Å; E2424-D2433 PolarHBondContact O-N 2.89Å
2425	D	69.8	Low	65.3	Low	23 Å²	23	77.5 Å²	77.5	12%	0.123	41%	0.411	C	S	.	.			trans	-144.6	70.5	-167.8	171.3	43.2	0	0	0	108.9	N2427 R2428 N2429 K2430 D2433	D2425-N2427 PolarHBondContact O-N 3.23Å; D2425-R2428 VanDerWaalsContact CG-CA 3.41Å; D2425-R2428 WeakPolarHBondContact O-CA 3.16Å; D2425-R2428 PolarHBondContact O-N 2.98Å; D2425-R2428 WeakPolarHBondContact OD1-CA 3.1Å; D2425-R2428 PolarHBondContact OD1-N 3.02Å; D2425-R2428 WeakPolarHBondContact OD2-CA 3.36Å; D2425-N2429 PolarHBondContact OD1-N 3.38Å; D2425-N2429 PolarHBondContact OD2-N 2.76Å; D2425-K2430 VanDerWaalsContact CG-N 3.3Å; D2425-K2430 PolarHBondContact OD1-N 3.5Å; D2425-K2430 VanDerWaalsContact OD2-CA 3.23Å; D2425-K2430 WeakPolarHBondContact OD2-CA 3.28Å; D2425-K2430 PolarHBondContact OD2-N 3.41Å; D2425-D2433 WeakPolarHBondContact CA-OD2 3.08Å
2426	E	65.4	Low	64.5	Low	162 Å²	162	79.4 Å²	79.4	76%	0.757	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-44	-176.4	-67.2	-178	-164.9	0	0	111.1	R2428 D2433	E2426-R2428 PolarHBondContact O-N 2.88Å; E2426-D2433 PolarHBondContact N-OD2 3.01Å
2427	N	67.7	Low	63.8	Low	65 Å²	65	80.8 Å²	80.8	35%	0.348	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.8	-178.2	87.8	94.2	0	0	0	112.9	D2425 N2429 D2433	D2425-N2427 PolarHBondContact O-N 3.23Å; N2427-N2429 VanDerWaalsContact C-N 3.32Å; N2427-N2429 PolarHBondContact ND2-ND2 2.89Å; N2427-N2429 PolarHBondContact O-N 2.83Å; N2427-N2429 VanDerWaalsContact OD1-CB 3.28Å; N2427-N2429 WeakPolarHBondContact OD1-CB 3.49Å; N2427-N2429 PolarHBondContact OD1-ND2 2.89Å; N2427-D2433 PolarHBondContact ND2-OD1 2.79Å
2428	R	56.2	Low	63	Low	116 Å²	116	83.3 Å²	83.3	44%	0.438	43%	0.426	S	S	.	.			trans	64.1	25.8	170.8	-141.7	172.9	-70.9	-170	-7.9	114.6	S2206 C2207 T2209 D2425 E2426 K2430	S2206-R2428 CarbonylContact C-O 3.59Å; S2206-R2428 CarbonylContact O-C 3.55Å; S2206-R2428 PolarHBondContact OG-O 2.96Å; C2207-R2428 HydrophobicContact CB-CB 3.83Å; C2207-R2428 HydrophobicContact CB-CG 3.8Å; C2207-R2428 WeakPolarHBondContact CB-O 3.27Å; T2209-R2428 HydrophobicContact CG2-CB 3.75Å; T2209-R2428 VanDerWaalsContact CG2-CD 3.48Å; T2209-R2428 HydrophobicContact CG2-CG 4.19Å; D2425-R2428 VanDerWaalsContact CG-CA 3.41Å; D2425-R2428 WeakPolarHBondContact O-CA 3.16Å; D2425-R2428 PolarHBondContact O-N 2.98Å; D2425-R2428 WeakPolarHBondContact OD1-CA 3.1Å; D2425-R2428 PolarHBondContact OD1-N 3.02Å; D2425-R2428 WeakPolarHBondContact OD2-CA 3.36Å; E2426-R2428 PolarHBondContact O-N 2.88Å; R2428-K2430 VanDerWaalsContact C-N 3.33Å; R2428-K2430 PolarHBondContact O-N 3.38Å
2429	N	70.7	Confident	62.7	Low	11 Å²	11	83.5 Å²	83.5	6%	0.059	42%	0.416	C	S	.	.	S	Bend	trans	-83.5	3.3	-178.4	95.1	56.6	0	0	0	115.2	H2205 S2206 D2425 N2427 I2431 E2436	H2205-N2429 HydrophobicContact CB-CB 4.28Å; H2205-N2429 WeakPolarHBondContact CB-O 3.24Å; H2205-N2429 PolarHBondContact ND1-O 2.65Å; S2206-N2429 VanDerWaalsContact CB-O 3.28Å; S2206-N2429 WeakPolarHBondContact CB-O 3.24Å; D2425-N2429 PolarHBondContact OD1-N 3.38Å; D2425-N2429 PolarHBondContact OD2-N 2.76Å; N2427-N2429 VanDerWaalsContact C-N 3.32Å; N2427-N2429 PolarHBondContact ND2-ND2 2.89Å; N2427-N2429 PolarHBondContact O-N 2.83Å; N2427-N2429 VanDerWaalsContact OD1-CB 3.28Å; N2427-N2429 WeakPolarHBondContact OD1-CB 3.49Å; N2427-N2429 PolarHBondContact OD1-ND2 2.89Å; N2429-I2431 PolarHBondContact O-N 2.79Å; N2429-I2431 VanDerWaalsContact OD1-CB 3.29Å; N2429-I2431 WeakPolarHBondContact OD1-CB 3.33Å; N2429-I2431 VanDerWaalsContact OD1-CG1 3.27Å; N2429-I2431 WeakPolarHBondContact OD1-CG1 3.34Å; N2429-I2431 PolarHBondContact OD1-N 3.39Å; N2429-E2436 PolarHBondContact ND2-OE1 3.38Å
2430	K	65.6	Low	63.1	Low	146 Å²	146	83.1 Å²	83.1	64%	0.635	42%	0.417	S	S	*	.	S	Bend	trans	62.1	33.3	-178.7	-50.5	-178.3	-172.5	-146.5	0	112.1	S2206 D2425 R2428	S2206-K2430 WeakPolarHBondContact OG-CE 3.19Å; D2425-K2430 VanDerWaalsContact CG-N 3.3Å; D2425-K2430 PolarHBondContact OD1-N 3.5Å; D2425-K2430 VanDerWaalsContact OD2-CA 3.23Å; D2425-K2430 WeakPolarHBondContact OD2-CA 3.28Å; D2425-K2430 PolarHBondContact OD2-N 3.41Å; R2428-K2430 VanDerWaalsContact C-N 3.33Å; R2428-K2430 PolarHBondContact O-N 3.38Å
2431	I	55.1	Low	62.9	Low	66 Å²	66	82.6 Å²	82.6	34%	0.338	42%	0.415	S	S	.	.	S	Bend	trans	-138.4	115.2	165.6	-55	176.4	0	0	0	105.5	N2429 D2433 L2435	N2429-I2431 PolarHBondContact O-N 2.79Å; N2429-I2431 VanDerWaalsContact OD1-CB 3.29Å; N2429-I2431 WeakPolarHBondContact OD1-CB 3.33Å; N2429-I2431 VanDerWaalsContact OD1-CG1 3.27Å; N2429-I2431 WeakPolarHBondContact OD1-CG1 3.34Å; N2429-I2431 PolarHBondContact OD1-N 3.39Å; I2431-D2433 PolarHBondContact O-N 3.09Å; I2431-L2435 HydrophobicContact CG2-CB 3.98Å; I2431-L2435 HydrophobicContact CG2-CD1 4.16Å
2432	P	59.9	Low	62.5	Low	28 Å²	28	81.4 Å²	81.4	18%	0.182	42%	0.42	C	S	.	.			trans	-56.7	138.3	-178.2	-29.1	36.8	0	0	0	112.8	D2423 E2424 H2434 L2435	D2423-P2432 WeakPolarHBondContact O-CB 3.24Å; D2423-P2432 WeakPolarHBondContact O-CG 3.45Å; E2424-P2432 WeakPolarHBondContact O-CA 3.35Å; E2424-P2432 WeakPolarHBondContact O-CB 3.29Å; P2432-H2434 PolarHBondContact O-N 2.8Å; P2432-L2435 WeakPolarHBondContact O-CB 3.23Å; P2432-L2435 PolarHBondContact O-N 2.75Å
2433	D	58.4	Low	62.8	Low	51 Å²	51	81.5 Å²	81.5	27%	0.273	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-60.6	-24.3	-166.5	-78.5	-76.4	0	0	0	113.2	E2424 D2425 E2426 N2427 I2431 L2435 E2436	E2424-D2433 PolarHBondContact O-N 2.89Å; D2425-D2433 WeakPolarHBondContact CA-OD2 3.08Å; E2426-D2433 PolarHBondContact N-OD2 3.01Å; N2427-D2433 PolarHBondContact ND2-OD1 2.79Å; I2431-D2433 PolarHBondContact O-N 3.09Å; D2433-L2435 PolarHBondContact O-N 3.14Å; D2433-E2436 PolarHBondContact O-N 2.97Å
2434	H	62.1	Low	62.8	Low	118 Å²	118	78.1 Å²	78.1	55%	0.546	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-62.4	-8.6	174.5	83.6	-109.7	0	0	0	114.7	T2422 D2423 P2432	T2422-H2434 PolarHBondContact O-CE1 3.02Å; T2422-H2434 PolarHBondContact O-ND1 3.3Å; D2423-H2434 IonicContact OD1-CE1 3.28Å; D2423-H2434 PolarHBondContact OD1-CE1 2.84Å; P2432-H2434 PolarHBondContact O-N 2.8Å
2435	L	55.9	Low	62.9	Low	89 Å²	89	77.6 Å²	77.6	47%	0.466	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-102.3	-8.7	179.2	-63.2	175.5	0	0	0	114.4	I2431 P2432 D2433 T2437	I2431-L2435 HydrophobicContact CG2-CB 3.98Å; I2431-L2435 HydrophobicContact CG2-CD1 4.16Å; P2432-L2435 WeakPolarHBondContact O-CB 3.23Å; P2432-L2435 PolarHBondContact O-N 2.75Å; D2433-L2435 PolarHBondContact O-N 3.14Å; L2435-T2437 PolarHBondContact O-N 2.72Å
2436	E	56.6	Low	62.8	Low	107 Å²	107	79.4 Å²	79.4	50%	0.5	41%	0.412	S	S	.	.			trans	-81.8	116.2	178.6	-62.4	-130.2	154.6	0	0	111.6	N2429 D2433	N2429-E2436 PolarHBondContact ND2-OE1 3.38Å; D2433-E2436 PolarHBondContact O-N 2.97Å
2437	T	53.8	Low	63.1	Low	73 Å²	73	73.8 Å²	73.8	45%	0.448	39%	0.387	S	S	.	.			trans	-144	161.3	177.1	42.4	0	0	0	0	111.6	L2435 I2446 L2448	L2435-T2437 PolarHBondContact O-N 2.72Å; T2437-I2446 WeakPolarHBondContact O-CB 3.07Å; T2437-I2446 WeakPolarHBondContact O-CG2 3.49Å; T2437-L2448 VanDerWaalsContact OG1-CD1 3.28Å; T2437-L2448 WeakPolarHBondContact OG1-CD1 3.46Å
2438	E	57.7	Low	62.9	Low	158 Å²	158	77 Å²	77	74%	0.738	40%	0.403	S	S	*	.			trans	-63.8	158.7	-159.6	-57.1	-180	135.6	0	0	115.8	I2446 D2447	E2438-I2446 WeakPolarHBondContact O-CA 2.93Å; E2438-D2447 VanDerWaalsContact O-CG 3.29Å; E2438-D2447 PolarHBondContact O-N 3.4Å
2439	D	64.1	Low	63.2	Low	53 Å²	53	77.6 Å²	77.6	28%	0.283	42%	0.415	S	S	.	.			trans	-113.3	106.5	168.2	172.7	-16	0	0	0	107.2	D2441 G2442 G2444 I2445	D2439-D2441 PolarHBondContact OD1-N 3.02Å; D2439-G2442 VanDerWaalsContact OD1-CA 3.29Å; D2439-G2442 WeakPolarHBondContact OD1-CA 3.17Å; D2439-G2442 PolarHBondContact OD1-N 2.75Å; D2439-G2444 WeakPolarHBondContact OD2-CA 3.35Å; D2439-G2444 PolarHBondContact OD2-N 3.16Å; D2439-I2445 PolarHBondContact OD2-N 3.27Å
2440	T	69.6	Low	63	Low	84 Å²	84	79.4 Å²	79.4	52%	0.515	43%	0.425	S	S	.	.	S	Bend	trans	-77.8	-25.7	-166.4	-77.9	0	0	0	0	114	D2447 D2453	T2440-D2447 WeakPolarHBondContact CB-OD1 3.14Å; T2440-D2447 WeakPolarHBondContact CB-OD2 3.2Å; T2440-D2447 PolarHBondContact N-OD1 3.12Å; T2440-D2447 PolarHBondContact OG1-OD1 3.27Å; T2440-D2447 PolarHBondContact OG1-OD2 3.5Å; T2440-D2453 WeakPolarHBondContact CB-O 3.1Å; T2440-D2453 WeakPolarHBondContact CG2-O 3.08Å
2441	D	65.3	Low	63.1	Low	61 Å²	61	76.8 Å²	76.8	33%	0.326	42%	0.421	S	S	.	.	S	Bend	trans	-108.4	-20.1	-179.9	88.7	37.8	0	0	0	115.3	D2439 D2443 N2455	D2439-D2441 PolarHBondContact OD1-N 3.02Å; D2441-D2443 WeakPolarHBondContact OD1-CB 3.43Å; D2441-D2443 PolarHBondContact OD1-N 3.42Å; D2441-N2455 WeakPolarHBondContact OD2-CB 3.22Å; D2441-N2455 PolarHBondContact OD2-ND2 2.81Å
2442	G	62.1	Low	64.1	Low	46 Å²	46	74.8 Å²	74.8	47%	0.474	41%	0.411	S	S	.	.			trans	85.1	24.3	177.5	0	0	0	0	0	115.1	D2439 G2444	D2439-G2442 VanDerWaalsContact OD1-CA 3.29Å; D2439-G2442 WeakPolarHBondContact OD1-CA 3.17Å; D2439-G2442 PolarHBondContact OD1-N 2.75Å; G2442-G2444 VanDerWaalsContact C-N 3.31Å
2443	D	71.7	Confident	64.6	Low	84 Å²	84	75.2 Å²	75.2	45%	0.449	41%	0.412	S	S	.	.	S	Bend	trans	-60.3	-41	169.3	-178.1	-87.9	0	0	0	111.3	S2201 D2441	S2201-D2443 WeakPolarHBondContact CB-O 3.35Å; S2201-D2443 PolarHBondContact OG-O 2.72Å; D2441-D2443 WeakPolarHBondContact OD1-CB 3.43Å; D2441-D2443 PolarHBondContact OD1-N 3.42Å
2444	G	66.1	Low	65.3	Low	21 Å²	21	77.7 Å²	77.7	22%	0.216	43%	0.425	C	S	.	.	S	Bend	trans	115.1	24.2	-171.8	0	0	0	0	0	113.8	C2202 D2439 G2442	C2202-G2444 PolarHBondContact SG-O 2.76Å; C2202-G2444 VanDerWaalsContact SG-O 3.33Å; D2439-G2444 WeakPolarHBondContact OD2-CA 3.35Å; D2439-G2444 PolarHBondContact OD2-N 3.16Å; G2442-G2444 VanDerWaalsContact C-N 3.31Å
2445	I	66.7	Low	65.4	Low	68 Å²	68	76.6 Å²	76.6	35%	0.349	42%	0.423	S	S	.	.	S	Bend	trans	-134.9	119.7	176.4	-56.5	177.6	0	0	0	107	D2439 L2449 D2450	D2439-I2445 PolarHBondContact OD2-N 3.27Å; I2445-L2449 HydrophobicContact CG2-CB 3.65Å; I2445-D2450 HydrophobicContact CB-CB 4.45Å; I2445-D2450 HydrophobicContact CG2-CB 4.07Å
2446	I	68.8	Low	66.4	Low	60 Å²	60	76.8 Å²	76.8	31%	0.308	43%	0.425	S	S	.	.			trans	-59.7	148.8	176.7	63.2	174.6	0	0	0	111.8	T2437 E2438 L2448 L2449 D2450	T2437-I2446 WeakPolarHBondContact O-CB 3.07Å; T2437-I2446 WeakPolarHBondContact O-CG2 3.49Å; E2438-I2446 WeakPolarHBondContact O-CA 2.93Å; I2446-L2448 PolarHBondContact O-N 2.94Å; I2446-L2449 HydrophobicContact CD1-CD1 4.18Å; I2446-L2449 HydrophobicContact CD1-CG 4.46Å; I2446-L2449 HydrophobicContact CG1-CB 4.25Å; I2446-L2449 HydrophobicContact CG1-CD1 3.98Å; I2446-L2449 HydrophobicContact CG1-CG 4.08Å; I2446-L2449 WeakPolarHBondContact O-CA 3.42Å; I2446-L2449 PolarHBondContact O-N 3.39Å; I2446-D2450 PolarHBondContact O-N 2.71Å
2447	D	70.6	Confident	66.9	Low	44 Å²	44	79 Å²	79	24%	0.235	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.9	-170.7	-65.2	-8.1	0	0	0	113.2	E2438 T2440 L2449	E2438-D2447 VanDerWaalsContact O-CG 3.29Å; E2438-D2447 PolarHBondContact O-N 3.4Å; T2440-D2447 WeakPolarHBondContact CB-OD1 3.14Å; T2440-D2447 WeakPolarHBondContact CB-OD2 3.2Å; T2440-D2447 PolarHBondContact N-OD1 3.12Å; T2440-D2447 PolarHBondContact OG1-OD1 3.27Å; T2440-D2447 PolarHBondContact OG1-OD2 3.5Å; D2447-L2449 PolarHBondContact O-N 2.97Å
2448	L	63.4	Low	67.3	Low	132 Å²	132	78.8 Å²	78.8	69%	0.691	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.1	175	-69.3	179.7	0	0	0	114.2	T2437 I2446	T2437-L2448 VanDerWaalsContact OG1-CD1 3.28Å; T2437-L2448 WeakPolarHBondContact OG1-CD1 3.46Å; I2446-L2448 PolarHBondContact O-N 2.94Å
2449	L	63.3	Low	67.8	Low	130 Å²	130	73.1 Å²	73.1	68%	0.681	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125	-17.3	-173.3	-67.1	-179.7	0	0	0	115.2	I2445 I2446 D2447	I2445-L2449 HydrophobicContact CG2-CB 3.65Å; I2446-L2449 HydrophobicContact CD1-CD1 4.18Å; I2446-L2449 HydrophobicContact CD1-CG 4.46Å; I2446-L2449 HydrophobicContact CG1-CB 4.25Å; I2446-L2449 HydrophobicContact CG1-CD1 3.98Å; I2446-L2449 HydrophobicContact CG1-CG 4.08Å; I2446-L2449 WeakPolarHBondContact O-CA 3.42Å; I2446-L2449 PolarHBondContact O-N 3.39Å; D2447-L2449 PolarHBondContact O-N 2.97Å
2450	D	65.2	Low	67.9	Low	49 Å²	49	72.6 Å²	72.6	26%	0.262	41%	0.409	S	S	.	.			trans	-86.3	-166	158.9	-148.4	-20.4	0	0	0	111.2	I2445 I2446	I2445-D2450 HydrophobicContact CB-CB 4.45Å; I2445-D2450 HydrophobicContact CG2-CB 4.07Å; I2446-D2450 PolarHBondContact O-N 2.71Å
2451	T	69.3	Low	67.7	Low	90 Å²	90	77.6 Å²	77.6	55%	0.552	42%	0.42	S	S	*	.	S	Bend	trans	-160.4	15.9	-164.4	51.5	0	0	0	0	112.3	D2453 P2459	T2451-D2453 PolarHBondContact N-OD1 2.78Å; T2451-P2459 WeakPolarHBondContact O-CA 3.46Å; T2451-P2459 WeakPolarHBondContact O-CB 3.31Å; T2451-P2459 WeakPolarHBondContact O-CG 3.27Å
2452	D	74.6	Confident	67.7	Low	24 Å²	24	80 Å²	80	13%	0.128	43%	0.432	C	S	.	.			trans	-158.6	54.6	-179.8	-161.1	31.1	0	0	0	108	D2454 N2455 D2457 I2458 P2459 D2460	D2452-D2454 PolarHBondContact O-N 2.75Å; D2452-N2455 WeakPolarHBondContact O-CA 3.18Å; D2452-N2455 PolarHBondContact O-N 3.41Å; D2452-D2457 WeakPolarHBondContact OD2-CA 3.03Å; D2452-D2457 PolarHBondContact OD2-N 3.26Å; D2452-I2458 WeakPolarHBondContact OD1-CA 3.21Å; D2452-I2458 PolarHBondContact OD1-N 3.16Å; D2452-P2459 VanDerWaalsContact OD1-N 3.11Å; D2452-D2460 WeakPolarHBondContact CA-OD2 3.32Å; D2452-D2460 PolarHBondContact N-OD2 3.05Å
2453	D	72.3	Confident	67.5	Low	38 Å²	38	81.2 Å²	81.2	20%	0.203	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-1.8	-152.6	-46.9	-25.3	0	0	0	115.8	T2440 T2451 D2460	T2440-D2453 WeakPolarHBondContact CB-O 3.1Å; T2440-D2453 WeakPolarHBondContact CG2-O 3.08Å; T2451-D2453 PolarHBondContact N-OD1 2.78Å; D2453-D2460 VanDerWaalsContact CG-CG 3.41Å; D2453-D2460 VanDerWaalsContact CG-OD2 3.25Å; D2453-D2460 PolarHBondContact N-OD1 2.78Å; D2453-D2460 PolarHBondContact N-OD2 3.35Å
2454	D	71.8	Confident	66.7	Low	103 Å²	103	80.1 Å²	80.1	55%	0.551	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.3	6.6	169.4	87.9	-21	0	0	0	114.9	D2452 D2456	D2452-D2454 PolarHBondContact O-N 2.75Å; D2454-D2456 PolarHBondContact O-N 3.48Å; D2454-D2456 VanDerWaalsContact OD1-CB 3.24Å; D2454-D2456 WeakPolarHBondContact OD1-CB 3.11Å; D2454-D2456 PolarHBondContact OD1-N 2.87Å
2455	N	64.3	Low	66.6	Low	94 Å²	94	82.5 Å²	82.5	50%	0.503	44%	0.435	S	S	.	.			trans	56.2	34.5	-178.5	-119.2	-82.7	0	0	0	115.8	D2441 D2452 D2457	D2441-N2455 WeakPolarHBondContact OD2-CB 3.22Å; D2441-N2455 PolarHBondContact OD2-ND2 2.81Å; D2452-N2455 WeakPolarHBondContact O-CA 3.18Å; D2452-N2455 PolarHBondContact O-N 3.41Å; N2455-D2457 PolarHBondContact O-N 3.46Å
2456	D	76.8	Confident	66.1	Low	94 Å²	94	83.6 Å²	83.6	50%	0.503	45%	0.448	S	S	.	.	S	Bend	trans	-73.9	-11	178.1	-179.2	-100.8	0	0	0	115.8	D2454 I2458	D2454-D2456 PolarHBondContact O-N 3.48Å; D2454-D2456 VanDerWaalsContact OD1-CB 3.24Å; D2454-D2456 WeakPolarHBondContact OD1-CB 3.11Å; D2454-D2456 PolarHBondContact OD1-N 2.87Å; D2456-I2458 WeakPolarHBondContact OD1-CD1 2.99Å; D2456-I2458 WeakPolarHBondContact OD1-CG1 3.46Å
2457	D	66.5	Low	65.8	Low	153 Å²	153	86.8 Å²	86.8	82%	0.818	47%	0.466	S	S	*	.	S	Bend	trans	73.8	22.8	-158.8	-69.1	-72.2	0	0	0	113.2	D2452 N2455	D2452-D2457 WeakPolarHBondContact OD2-CA 3.03Å; D2452-D2457 PolarHBondContact OD2-N 3.26Å; N2455-D2457 PolarHBondContact O-N 3.46Å
2458	I	64.3	Low	65	Low	69 Å²	69	87.9 Å²	87.9	35%	0.354	49%	0.488	S	S	.	.	S	Bend	trans	-136.9	89.4	179.5	-54.7	-178	0	0	0	112.9	D2452 D2456 L2462 D2463	D2452-I2458 WeakPolarHBondContact OD1-CA 3.21Å; D2452-I2458 PolarHBondContact OD1-N 3.16Å; D2456-I2458 WeakPolarHBondContact OD1-CD1 2.99Å; D2456-I2458 WeakPolarHBondContact OD1-CG1 3.46Å; I2458-L2462 HydrophobicContact CG2-CB 4.23Å; I2458-D2463 HydrophobicContact CG2-CB 4.39Å
2459	P	66.3	Low	65.2	Low	39 Å²	39	86.4 Å²	86.4	25%	0.253	48%	0.481	S	S	.	.			trans	-46.7	135.7	179.7	-39.4	40	0	0	0	117.2	T2451 D2452 Y2461 L2462	T2451-P2459 WeakPolarHBondContact O-CA 3.46Å; T2451-P2459 WeakPolarHBondContact O-CB 3.31Å; T2451-P2459 WeakPolarHBondContact O-CG 3.27Å; D2452-P2459 VanDerWaalsContact OD1-N 3.11Å; P2459-Y2461 HydrophobicContact CB-CD1 3.86Å; P2459-Y2461 HydrophobicContact CB-CE1 3.52Å; P2459-Y2461 PolarHBondContact O-N 2.89Å; P2459-L2462 WeakPolarHBondContact O-CA 3.06Å; P2459-L2462 VanDerWaalsContact O-CB 3.29Å; P2459-L2462 WeakPolarHBondContact O-CB 3.5Å; P2459-L2462 PolarHBondContact O-N 3.15Å
2460	D	66.2	Low	64.6	Low	42 Å²	42	82.6 Å²	82.6	23%	0.225	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-30.5	-161.1	-57	-77	0	0	0	114.8	D2452 D2453 L2462 D2463	D2452-D2460 WeakPolarHBondContact CA-OD2 3.32Å; D2452-D2460 PolarHBondContact N-OD2 3.05Å; D2453-D2460 VanDerWaalsContact CG-CG 3.41Å; D2453-D2460 VanDerWaalsContact CG-OD2 3.25Å; D2453-D2460 PolarHBondContact N-OD1 2.78Å; D2453-D2460 PolarHBondContact N-OD2 3.35Å; D2460-L2462 PolarHBondContact O-N 2.9Å; D2460-D2463 PolarHBondContact O-N 3.33Å
2461	Y	66	Low	63.6	Low	189 Å²	189	84.8 Å²	84.8	74%	0.741	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-1	172	76.9	-90.2	0	0	0	113.8	P2459	P2459-Y2461 HydrophobicContact CB-CD1 3.86Å; P2459-Y2461 HydrophobicContact CB-CE1 3.52Å; P2459-Y2461 PolarHBondContact O-N 2.89Å
2462	L	64.5	Low	62.3	Low	111 Å²	111	85.7 Å²	85.7	58%	0.581	49%	0.489	S	S	*	.	S	Bend	trans	-122.4	-20.8	177.9	-63	177.9	0	0	0	115.4	I2458 P2459 D2460	I2458-L2462 HydrophobicContact CG2-CB 4.23Å; P2459-L2462 WeakPolarHBondContact O-CA 3.06Å; P2459-L2462 VanDerWaalsContact O-CB 3.29Å; P2459-L2462 WeakPolarHBondContact O-CB 3.5Å; P2459-L2462 PolarHBondContact O-N 3.15Å; D2460-L2462 PolarHBondContact O-N 2.9Å
2463	D	59.8	Low	61	Low	71 Å²	71	91.4 Å²	91.4	38%	0.38	52%	0.52	S	S	.	.			trans	-87.2	-171	170.2	-143	-83.9	0	0	0	112.4	I2458 D2460 D2465	I2458-D2463 HydrophobicContact CG2-CB 4.39Å; D2460-D2463 PolarHBondContact O-N 3.33Å; D2463-D2465 PolarHBondContact OD1-N 2.68Å; D2463-D2465 VanDerWaalsContact OD1-N 3.13Å
2464	S	53.6	Low	59.3	Low	61 Å²	61	96.2 Å²	96.2	43%	0.427	54%	0.539	S	S	.	.	S	Bend	trans	-169.7	16.6	-169	-82.9	0	0	0	0	113.5	K2474	S2464-K2474 PolarHBondContact OG-NZ 3.48Å
2465	D	63.4	Low	57.9	Low	72 Å²	72	99.6 Å²	99.6	39%	0.385	55%	0.549	S	S	.	.			trans	-138.8	31.4	-174.6	-144.9	-7.6	0	0	0	110.4	D2463 D2467 G2468 G2470	D2463-D2465 PolarHBondContact OD1-N 2.68Å; D2463-D2465 VanDerWaalsContact OD1-N 3.13Å; D2465-D2467 PolarHBondContact O-N 2.74Å; D2465-G2468 PolarHBondContact O-N 2.8Å; D2465-G2470 WeakPolarHBondContact OD1-CA 3.28Å; D2465-G2470 PolarHBondContact OD1-N 3.19Å; D2465-G2470 VanDerWaalsContact OD1-N 3.15Å
2466	S	57.3	Low	56.2	Low	91 Å²	91	103.5 Å²	103.5	64%	0.636	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	12.9	-166.5	-48.1	0	0	0	0	117.3
2467	D	62.8	Low	54.5	Low	126 Å²	126	104.4 Å²	104.4	67%	0.674	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	-3.1	167.1	77.5	-18.9	0	0	0	112.8	D2465 D2469	D2465-D2467 PolarHBondContact O-N 2.74Å; D2467-D2469 PolarHBondContact O-N 2.96Å; D2467-D2469 WeakPolarHBondContact OD1-CB 3.49Å; D2467-D2469 PolarHBondContact OD1-N 2.69Å; D2467-D2469 WeakPolarHBondContact OD2-CB 3.02Å
2468	G	53.9	Low	53.1	Low	68 Å²	68	104 Å²	104	70%	0.701	56%	0.555	S	S	*	*	S	Bend	trans	67.1	7.5	-178.5	0	0	0	0	0	116.2	D2465 G2470	D2465-G2468 PolarHBondContact O-N 2.8Å; G2468-G2470 PolarHBondContact O-N 2.97Å
2469	D	66.4	Low	52.1	Low	101 Å²	101	108.2 Å²	108.2	54%	0.54	58%	0.579	S	S	.	*	S	Bend	trans	-62.3	-33.5	176.7	157.7	-81.2	0	0	0	111.8	D2467 T2471	D2467-D2469 PolarHBondContact O-N 2.96Å; D2467-D2469 WeakPolarHBondContact OD1-CB 3.49Å; D2467-D2469 PolarHBondContact OD1-N 2.69Å; D2467-D2469 WeakPolarHBondContact OD2-CB 3.02Å; D2469-T2471 VanDerWaalsContact OD1-CB 3.26Å; D2469-T2471 WeakPolarHBondContact OD1-CB 2.99Å; D2469-T2471 WeakPolarHBondContact OD1-CG2 3.43Å; D2469-T2471 PolarHBondContact OD1-N 2.7Å; D2469-T2471 PolarHBondContact OD1-OG1 2.63Å
2470	G	50.8	Low	50.7	Low	49 Å²	49	117 Å²	117	51%	0.505	61%	0.607	S	S	.	*	S	Bend	trans	90.5	26.8	-178	0	0	0	0	0	114.2	D2465 G2468	D2465-G2470 WeakPolarHBondContact OD1-CA 3.28Å; D2465-G2470 PolarHBondContact OD1-N 3.19Å; D2465-G2470 VanDerWaalsContact OD1-N 3.15Å; G2468-G2470 PolarHBondContact O-N 2.97Å
2471	T	44.3	Very low	49.1	Very low	96 Å²	96	121.2 Å²	121.2	59%	0.589	63%	0.625	S	S	*	*			trans	-127.9	87.9	172.8	63.1	0	0	0	0	115.9	D2469 D2473	D2469-T2471 VanDerWaalsContact OD1-CB 3.26Å; D2469-T2471 WeakPolarHBondContact OD1-CB 2.99Å; D2469-T2471 WeakPolarHBondContact OD1-CG2 3.43Å; D2469-T2471 PolarHBondContact OD1-N 2.7Å; D2469-T2471 PolarHBondContact OD1-OG1 2.63Å; T2471-D2473 WeakPolarHBondContact O-CA 3.1Å; T2471-D2473 PolarHBondContact O-N 2.66Å
2472	D	42.6	Very low	47.1	Very low	108 Å²	108	119.5 Å²	119.5	58%	0.578	62%	0.621	S	S	*	*			trans	-26.8	101.2	165.6	173.9	27.2	0	0	0	114.2	K2474	D2472-K2474 PolarHBondContact O-N 2.73Å; D2472-K2474 WeakPolarHBondContact OD1-CD 3.2Å; D2472-K2474 IonicContact OD1-NZ 2.64Å; D2472-K2474 PolarHBondContact OD1-NZ 3.48Å
2473	D	47.7	Very low	45.3	Very low	144 Å²	144	117.9 Å²	117.9	77%	0.77	62%	0.616	S	S	*	*			trans	-75	10.1	-154	-152.4	7.3	0	0	0	115.4	T2471 K2475	T2471-D2473 WeakPolarHBondContact O-CA 3.1Å; T2471-D2473 PolarHBondContact O-N 2.66Å; D2473-K2475 VanDerWaalsContact C-N 3.25Å; D2473-K2475 PolarHBondContact O-N 3.46Å
2474	K	36.6	Very low	44.6	Very low	140 Å²	140	120.3 Å²	120.3	61%	0.609	63%	0.634	S	S	*	*			trans	-81.6	64.7	-169.5	-66.6	167.8	-164.1	66.7	0	111.4	S2464 D2472	S2464-K2474 PolarHBondContact OG-NZ 3.48Å; D2472-K2474 PolarHBondContact O-N 2.73Å; D2472-K2474 WeakPolarHBondContact OD1-CD 3.2Å; D2472-K2474 IonicContact OD1-NZ 2.64Å; D2472-K2474 PolarHBondContact OD1-NZ 3.48Å
2475	K	42.3	Very low	43.3	Very low	173 Å²	173	124.6 Å²	124.6	75%	0.752	65%	0.652	S	S	*	*			trans	-145	46.3	-174.6	-138.6	176.3	-164.8	164.6	0	120	D2473 D2477	D2473-K2475 VanDerWaalsContact C-N 3.25Å; D2473-K2475 PolarHBondContact O-N 3.46Å; K2475-D2477 VanDerWaalsContact C-N 3.29Å; K2475-D2477 HydrophobicContact CG-CB 4.48Å; K2475-D2477 PolarHBondContact O-N 2.67Å
2476	H	28.4	Very low	41.8	Very low	177 Å²	177	124.1 Å²	124.1	82%	0.819	65%	0.654	S	S	*	*			trans	-60.9	87.9	151.7	-119.5	-39.7	0	0	0	111.4	R2478	H2476-R2478 WeakPolarHBondContact O-CG 3.38Å; H2476-R2478 PolarHBondContact O-NE 2.64Å
2477	D	40.8	Very low	40.7	Very low	113 Å²	113	127.6 Å²	127.6	60%	0.604	66%	0.658	S	S	*	*			trans	-137.9	62.2	175.1	-129.4	17.4	0	0	0	111.9	K2475	K2475-D2477 VanDerWaalsContact C-N 3.29Å; K2475-D2477 HydrophobicContact CG-CB 4.48Å; K2475-D2477 PolarHBondContact O-N 2.67Å
2478	R	37	Very low	39	Very low	143 Å²	143	129.6 Å²	129.6	54%	0.54	66%	0.663	S	S	.	*				68	70.5	94.3	-62	-179.1	-63.8	-157.5	-9.6	114.9	H2476 H2481	H2476-R2478 WeakPolarHBondContact O-CG 3.38Å; H2476-R2478 PolarHBondContact O-NE 2.64Å; R2478-H2481 HydrophobicContact CB-CB 4.31Å; R2478-H2481 WeakPolarHBondContact CD-CD2 3.08Å; R2478-H2481 WeakPolarHBondContact CG-CD2 3.02Å
2479	D	43.9	Very low	37.6	Very low	158 Å²	158	132.3 Å²	132.3	85%	0.845	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	135	147.4	-137.1	-31.9	0	0	0	108.5
2480	R	36.3	Very low	35.8	Very low	224 Å²	224	133.1 Å²	133.1	85%	0.845	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.1	52.6	-178	-55	-174.1	-171.2	162.3	8.3	118.4	K2482	R2480-K2482 PolarHBondContact O-N 3Å
2481	H	34	Very low	35.2	Very low	131 Å²	131	137.7 Å²	137.7	61%	0.606	68%	0.677	S	S	*	*			trans	-69.7	88.2	151.7	-94.8	-123	0	0	0	112.3	R2478	R2478-H2481 HydrophobicContact CB-CB 4.31Å; R2478-H2481 WeakPolarHBondContact CD-CD2 3.08Å; R2478-H2481 WeakPolarHBondContact CG-CD2 3.02Å
2482	K	24	Very low	34.8	Very low	152 Å²	152	141.1 Å²	141.1	66%	0.661	68%	0.683	S	S	*	*			trans	-143.2	145.8	161.9	-106.8	-157.8	171.1	-168.5	0	104.6	R2480	R2480-K2482 PolarHBondContact O-N 3Å
2483	T	24.9	Very low	34.5	Very low	78 Å²	78	142.2 Å²	142.2	48%	0.479	69%	0.689	S	S	.	*			cis	-162.2	103.5	-18.2	9.4	0	0	0	0	102.4	N2485	T2483-N2485 VanDerWaalsContact C-N 3.29Å
2484	T	45.6	Very low	33.8	Very low	121 Å²	121	142.1 Å²	142.1	74%	0.742	68%	0.682	S	S	*	*	S	Bend	cis	42.7	58.2	39.2	78.5	0	0	0	0	110
2485	N	27.4	Very low	33.7	Very low	151 Å²	151	142 Å²	142	81%	0.807	68%	0.683	S	S	*	*	S	Bend	trans	63.9	80.3	-178.9	-127.1	-34.8	0	0	0	117.3	T2483	T2483-N2485 VanDerWaalsContact C-N 3.29Å
2486	S	31	Very low	33.1	Very low	63 Å²	63	139.6 Å²	139.6	44%	0.441	68%	0.684	S	S	.	*			trans	49.3	129.4	132.4	-117.2	0	0	0	0	122.1
2487	K	33.8	Very low	33.2	Very low	164 Å²	164	139 Å²	139	71%	0.713	68%	0.679	S	S	*	*			trans	71.2	105.8	143.3	-61	154.6	-173.6	161.6	0	119.9
2488	E	27.5	Very low	32.6	Very low	168 Å²	168	138.1 Å²	138.1	79%	0.785	68%	0.677	S	S	*	*	S	Bend		-160.4	141	112.4	-104.9	-173.8	169.4	0	0	107.5
2489	T	23.7	Very low	32.3	Very low	125 Å²	125	137.7 Å²	137.7	77%	0.767	69%	0.685	S	S	*	*	S	Bend	cis	-128.9	98.5	22.1	55.8	0	0	0	0	114.7
2490	D	30.5	Very low	31.6	Very low	117 Å²	117	132.1 Å²	132.1	63%	0.626	66%	0.661	S	S	*	*	S	Bend		-166	128.2	116	-124.4	-24.4	0	0	0	114
2491	K	37.3	Very low	31.2	Very low	145 Å²	145	126.3 Å²	126.3	63%	0.63	64%	0.643	S	S	*	*			trans	59.7	96.4	156.4	-45	-175.7	-170.8	72	0	121.6
2492	K	36.3	Very low	30.9	Very low	168 Å²	168	122.9 Å²	122.9	73%	0.73	63%	0.633	S	S	*	*				75.2	137.3	121.9	-63	172.2	-176.1	174.6	0	122.5
2493	N	35.2	Very low	31.3	Very low	132 Å²	132	120.6 Å²	120.6	71%	0.706	64%	0.637	S	S	*	*			trans	72	158.5	134.9	-73.9	17.5	0	0	0	120.2
2494	K	33.8	Very low	31.5	Very low	141 Å²	141	122.7 Å²	122.7	61%	0.613	66%	0.655	S	S	*	*			cis	-177.4	151.8	-31	-111.7	173.5	116.6	-133.5	0	110.4
2495	E	33.9	Very low	31.5	Very low	137 Å²	137	121.8 Å²	121.8	64%	0.64	65%	0.651	S	S	*	*			trans	73.3	107.7	144.2	-70.9	166.1	150.4	0	0	123.9
2496	T	30.2	Very low	31.7	Very low	124 Å²	124	124.9 Å²	124.9	76%	0.761	66%	0.657	S	S	*	*				77	129.8	123.5	60.9	0	0	0	0	126.4
2497	K	31.2	Very low	31.9	Very low	164 Å²	164	127.5 Å²	127.5	71%	0.713	68%	0.675	S	S	*	*				102.6	108.3	120.1	-92.5	-179.2	91.1	-58.6	0	125.5
2498	T	26.8	Very low	32.2	Very low	94 Å²	94	128.5 Å²	128.5	58%	0.577	68%	0.682	S	S	*	*				60.4	143.6	120.2	63.2	0	0	0	0	126.4
2499	I	31.7	Very low	33.1	Very low	135 Å²	135	125.5 Å²	125.5	69%	0.692	68%	0.678	S	S	*	*			trans	91.3	151.4	145	-79.1	155.5	0	0	0	120.6
2500	A	29.3	Very low	34	Very low	41 Å²	41	128.5 Å²	128.5	34%	0.339	68%	0.683	S	S	.	*			cis	178.9	140.1	-34.2	0	0	0	0	0	118.5	E2547 D2548 D2549	A2500-E2547 CarbonylContact C-O 3.58Å; A2500-E2547 WeakPolarHBondContact CA-O 3.25Å; A2500-D2548 CarbonylContact C-O 3.51Å; A2500-D2548 WeakPolarHBondContact CA-O 3.25Å; A2500-D2548 VanDerWaalsContact CB-O 3.31Å; A2500-D2548 WeakPolarHBondContact CB-O 3.16Å; A2500-D2549 HydrophobicContact CB-CB 4.11Å; A2500-D2549 WeakPolarHBondContact CB-OD2 3.19Å
2501	H	28	Very low	34.4	Very low	101 Å²	101	125.7 Å²	125.7	47%	0.468	68%	0.682	S	S	.	*			trans	61.6	96.1	151.5	-93.6	-49.5	0	0	0	131.3	E2547 D2548 D2549	H2501-E2547 PolarHBondContact N-O 3.1Å; H2501-D2548 WeakPolarHBondContact CA-O 3.47Å; H2501-D2548 PolarHBondContact CD2-O 2.8Å; H2501-D2548 PolarHBondContact N-O 2.71Å; H2501-D2549 PolarHBondContact NE2-N 3.14Å; H2501-D2549 PolarHBondContact NE2-O 2.67Å
2502	S	27.8	Very low	34.5	Very low	59 Å²	59	123.4 Å²	123.4	41%	0.413	67%	0.673	S	S	.	*			trans	29.9	122.4	131.5	69.5	0	0	0	0	126.5	D2546	S2502-D2546 WeakPolarHBondContact CA-O 3.43Å; S2502-D2546 PolarHBondContact N-O 3.26Å
2503	S	32.4	Very low	34.5	Very low	104 Å²	104	119.9 Å²	119.9	73%	0.727	67%	0.67	S	S	*	*			trans	71.5	142.3	131.1	81.4	0	0	0	0	126.1
2504	S	27.7	Very low	34	Very low	123 Å²	123	122.7 Å²	122.7	86%	0.86	68%	0.676	S	S	*	*			trans	84.9	151.7	149.1	-115.4	0	0	0	0	123.8
2505	P	47.1	Very low	34	Very low	102 Å²	102	120.9 Å²	120.9	66%	0.662	68%	0.681	S	S	*	*			trans	-128.6	168.2	-152.5	44.1	-31.6	0	0	0	120.3
2506	K	30.3	Very low	34.1	Very low	216 Å²	216	119.1 Å²	119.1	94%	0.939	67%	0.671	S	S	*	*			trans	-177	172.6	151.6	-104.3	155.8	-169.9	109.6	0	117.9
2507	S	36.5	Very low	35.2	Very low	117 Å²	117	116.9 Å²	116.9	82%	0.818	66%	0.66	S	S	*	*			trans	-105	174.3	-157.3	60	0	0	0	0	120.2
2508	Q	39.2	Very low	35.7	Very low	185 Å²	185	112 Å²	112	86%	0.864	65%	0.647	S	S	*	*			trans	-92.6	-139.2	-169.3	-41.4	-175.9	14.1	0	0	116.5
2509	P	47.4	Very low	36.7	Very low	106 Å²	106	112.7 Å²	112.7	69%	0.688	65%	0.653	S	S	*	*			cis	-143.9	170.1	3.6	44.9	-23.6	0	0	0	121.3
2510	Q	41.7	Very low	36.7	Very low	187 Å²	187	112.7 Å²	112.7	87%	0.874	64%	0.644	S	S	*	*			trans	49.6	126.7	146.3	-64.5	177	28.6	0	0	127.2
2511	G	38.1	Very low	36.8	Very low	59 Å²	59	118.6 Å²	118.6	61%	0.608	66%	0.662	S	S	*	*				135.7	110.2	129.7	0	0	0	0	0	125.8
2512	H	40.2	Very low	36.9	Very low	97 Å²	97	116 Å²	116	45%	0.449	65%	0.654	S	S	.	*			trans	64.3	132.1	137.5	-35.3	-28	0	0	0	122.4	K2516 S2517 S2518	H2512-K2516 HydrophobicContact CB-CB 4.28Å; H2512-K2516 HydrophobicContact CB-CD 4.26Å; H2512-K2516 VanDerWaalsContact CE1-CD 3.43Å; H2512-K2516 WeakPolarHBondContact CE1-CD 3.33Å; H2512-K2516 PolarHBondContact CE1-NZ 2.75Å; H2512-K2516 VanDerWaalsContact ND1-CD 3.25Å; H2512-K2516 WeakPolarHBondContact ND1-CD 3.49Å; H2512-K2516 PolarHBondContact NE2-NZ 2.78Å; H2512-S2517 VanDerWaalsContact CA-O 3.23Å; H2512-S2517 WeakPolarHBondContact CA-O 3.43Å; H2512-S2517 PolarHBondContact N-O 3.43Å; H2512-S2517 PolarHBondContact ND1-O 2.69Å; H2512-S2518 PolarHBondContact CE1-OG 3.3Å; H2512-S2518 PolarHBondContact ND1-OG 2.68Å
2513	S	36.1	Very low	37	Very low	93 Å²	93	120.6 Å²	120.6	65%	0.65	67%	0.666	S	S	*	*			cis	-178.7	145.4	41.1	55.9	0	0	0	0	116.9	S2517	S2513-S2517 VanDerWaalsContact CA-N 3.34Å
2514	K	24.4	Very low	36.5	Very low	192 Å²	192	121 Å²	121	84%	0.835	66%	0.656	S	S	*	*	S	Bend		-141.9	60.4	128.9	-153.6	178.6	-169.8	178.7	0	110.8	K2516	K2514-K2516 CarbonylContact C-O 3.34Å; K2514-K2516 VanDerWaalsContact N-C 3.26Å; K2514-K2516 PolarHBondContact N-O 3.1Å
2515	S	34.5	Very low	36.4	Very low	102 Å²	102	119.3 Å²	119.3	71%	0.713	64%	0.638	S	S	*	*	S	Bend	trans	67	55.9	-171.3	-55.6	0	0	0	0	117.1
2516	K	34.8	Very low	35.2	Very low	100 Å²	100	121.1 Å²	121.1	44%	0.435	64%	0.637	S	S	.	*			cis	-107.4	-153.2	-9.8	-49	-169.7	-160.5	168.9	0	108.9	H2512 K2514 S2518	H2512-K2516 HydrophobicContact CB-CB 4.28Å; H2512-K2516 HydrophobicContact CB-CD 4.26Å; H2512-K2516 VanDerWaalsContact CE1-CD 3.43Å; H2512-K2516 WeakPolarHBondContact CE1-CD 3.33Å; H2512-K2516 PolarHBondContact CE1-NZ 2.75Å; H2512-K2516 VanDerWaalsContact ND1-CD 3.25Å; H2512-K2516 WeakPolarHBondContact ND1-CD 3.49Å; H2512-K2516 PolarHBondContact NE2-NZ 2.78Å; K2514-K2516 CarbonylContact C-O 3.34Å; K2514-K2516 VanDerWaalsContact N-C 3.26Å; K2514-K2516 PolarHBondContact N-O 3.1Å; K2516-S2518 CarbonylContact C-O 3.46Å; K2516-S2518 WeakPolarHBondContact CA-O 3.3Å; K2516-S2518 VanDerWaalsContact CB-O 3.25Å; K2516-S2518 WeakPolarHBondContact CB-O 3.42Å; K2516-S2518 PolarHBondContact N-O 2.9Å; K2516-S2518 VanDerWaalsContact N-O 3.1Å
2517	S	53.8	Low	35.1	Very low	77 Å²	77	115.4 Å²	115.4	54%	0.538	62%	0.617	S	S	.	*	S	Bend		-86.7	142.3	102.4	-37	0	0	0	0	113.3	H2512 S2513	H2512-S2517 VanDerWaalsContact CA-O 3.23Å; H2512-S2517 WeakPolarHBondContact CA-O 3.43Å; H2512-S2517 PolarHBondContact N-O 3.43Å; H2512-S2517 PolarHBondContact ND1-O 2.69Å; S2513-S2517 VanDerWaalsContact CA-N 3.34Å
2518	S	42.2	Very low	34.6	Very low	61 Å²	61	116 Å²	116	43%	0.427	61%	0.611	S	S	.	*	S	Bend		65.9	141.5	-107.2	-26.7	0	0	0	0	111.7	H2512 K2516	H2512-S2518 PolarHBondContact CE1-OG 3.3Å; H2512-S2518 PolarHBondContact ND1-OG 2.68Å; K2516-S2518 CarbonylContact C-O 3.46Å; K2516-S2518 WeakPolarHBondContact CA-O 3.3Å; K2516-S2518 VanDerWaalsContact CB-O 3.25Å; K2516-S2518 WeakPolarHBondContact CB-O 3.42Å; K2516-S2518 PolarHBondContact N-O 2.9Å; K2516-S2518 VanDerWaalsContact N-O 3.1Å
2519	P	47.6	Very low	34.3	Very low	109 Å²	109	112.9 Å²	112.9	71%	0.708	60%	0.596	S	S	*	*			trans	-80.4	135.7	-141.7	27.5	-35.8	0	0	0	114
2520	R	32.6	Very low	33.7	Very low	136 Å²	136	115.5 Å²	115.5	51%	0.513	61%	0.605	S	S	.	*			trans	-177.9	150.5	134.4	-102	163.9	166.2	-165.8	-5.5	111.6	T2522 E2524	R2520-T2522 HydrophobicContact CB-CG2 4.34Å; R2520-T2522 HydrophobicContact CG-CG2 3.26Å; R2520-E2524 IonicContact CZ-OE1 2.73Å; R2520-E2524 VanDerWaalsContact CZ-OE1 3.28Å; R2520-E2524 IonicContact NE-OE1 2.55Å; R2520-E2524 PolarHBondContact NE-OE1 3.25Å; R2520-E2524 VanDerWaalsContact NE-OE1 3.13Å; R2520-E2524 VanDerWaalsContact NH2-CD 3.33Å; R2520-E2524 IonicContact NH2-OE1 2.74Å; R2520-E2524 PolarHBondContact NH2-OE1 3.1Å; R2520-E2524 IonicContact NH2-OE2 2.82Å; R2520-E2524 PolarHBondContact NH2-OE2 2.97Å; R2520-E2524 VanDerWaalsContact NH2-OE2 3.14Å
2521	K	31	Very low	33.3	Very low	164 Å²	164	110.7 Å²	110.7	71%	0.713	59%	0.591	S	S	*	*	S	Bend	cis	-102.4	119.5	-1.9	-93.6	86.8	-153.4	-29.5	0	109.7
2522	T	29.7	Very low	33.3	Very low	47 Å²	47	110.4 Å²	110.4	29%	0.288	58%	0.58	S	S	.	*				52.1	90	69.5	74.2	0	0	0	0	113.3	R2520 E2524	R2520-T2522 HydrophobicContact CB-CG2 4.34Å; R2520-T2522 HydrophobicContact CG-CG2 3.26Å; T2522-E2524 HydrophobicContact CG2-CG 3.95Å; T2522-E2524 WeakPolarHBondContact CG2-OE1 3.17Å
2523	K	29.9	Very low	33.3	Very low	156 Å²	156	113 Å²	113	68%	0.678	60%	0.596	S	S	*	*				-87.7	133.9	88.8	-103.3	157.5	162.7	-73.5	0	107.5	D2525	K2523-D2525 HydrophobicContact CB-CB 4.23Å; K2523-D2525 WeakPolarHBondContact CD-OD2 3.48Å; K2523-D2525 WeakPolarHBondContact CE-OD2 3.23Å; K2523-D2525 HydrophobicContact CG-CB 4.45Å; K2523-D2525 IonicContact NZ-OD1 2.68Å; K2523-D2525 PolarHBondContact NZ-OD1 2.71Å; K2523-D2525 IonicContact NZ-OD2 3.1Å; K2523-D2525 PolarHBondContact NZ-OD2 3.19Å
2524	E	20.9	Very low	33.1	Very low	112 Å²	112	113.5 Å²	113.5	52%	0.523	59%	0.591	S	S	.	*			cis	43.7	31.5	13	-70.9	170.2	-137.7	0	0	111.6	R2520 T2522	R2520-E2524 IonicContact CZ-OE1 2.73Å; R2520-E2524 VanDerWaalsContact CZ-OE1 3.28Å; R2520-E2524 IonicContact NE-OE1 2.55Å; R2520-E2524 PolarHBondContact NE-OE1 3.25Å; R2520-E2524 VanDerWaalsContact NE-OE1 3.13Å; R2520-E2524 VanDerWaalsContact NH2-CD 3.33Å; R2520-E2524 IonicContact NH2-OE1 2.74Å; R2520-E2524 PolarHBondContact NH2-OE1 3.1Å; R2520-E2524 IonicContact NH2-OE2 2.82Å; R2520-E2524 PolarHBondContact NH2-OE2 2.97Å; R2520-E2524 VanDerWaalsContact NH2-OE2 3.14Å; T2522-E2524 HydrophobicContact CG2-CG 3.95Å; T2522-E2524 WeakPolarHBondContact CG2-OE1 3.17Å
2525	D	25.5	Very low	33.8	Very low	87 Å²	87	107.4 Å²	107.4	47%	0.465	57%	0.573	S	S	.	*				-84.7	126.9	111.4	-70	-36.1	0	0	0	102.8	K2523	K2523-D2525 HydrophobicContact CB-CB 4.23Å; K2523-D2525 WeakPolarHBondContact CD-OD2 3.48Å; K2523-D2525 WeakPolarHBondContact CE-OD2 3.23Å; K2523-D2525 HydrophobicContact CG-CB 4.45Å; K2523-D2525 IonicContact NZ-OD1 2.68Å; K2523-D2525 PolarHBondContact NZ-OD1 2.71Å; K2523-D2525 IonicContact NZ-OD2 3.1Å; K2523-D2525 PolarHBondContact NZ-OD2 3.19Å
2526	H	23.4	Very low	34.1	Very low	141 Å²	141	108.6 Å²	108.6	65%	0.653	57%	0.571	S	S	*	*				65.5	120.4	61	-58.8	-58	0	0	0	110.2
2527	D	28.1	Very low	34.2	Very low	95 Å²	95	109.5 Å²	109.5	51%	0.508	58%	0.581	S	S	.	*			cis	-160.9	141.5	-4.3	-103.1	-20	0	0	0	103.5
2528	N	25.2	Very low	33.5	Very low	130 Å²	130	112.6 Å²	112.6	70%	0.695	59%	0.591	S	S	*	*	S	Bend		31.4	60.9	51.5	-160.2	111.1	0	0	0	111.1
2529	E	34.1	Very low	33.3	Very low	120 Å²	120	116.8 Å²	116.8	56%	0.561	61%	0.609	S	S	*	*			trans	63.9	87.3	163.8	-47.4	159.1	113.5	0	0	114.6
2530	D	34.2	Very low	32.9	Very low	161 Å²	161	118.9 Å²	118.9	86%	0.861	61%	0.614	S	S	*	*	S	Bend		-128.6	84.9	120.3	-121.5	-4	0	0	0	107.1
2531	S	32.1	Very low	33.3	Very low	85 Å²	85	119.9 Å²	119.9	59%	0.594	63%	0.63	S	S	*	*	S	Bend	cis	-162.2	131.6	10.5	57.3	0	0	0	0	113.9
2532	S	38.7	Very low	33.3	Very low	53 Å²	53	118 Å²	118	37%	0.371	63%	0.627	S	S	.	*			trans	34.5	149.4	131.1	71.4	0	0	0	0	121.3
2533	I	40.2	Very low	33.4	Very low	153 Å²	153	121 Å²	121	79%	0.785	64%	0.642	S	S	*	*			trans	72.4	117.1	155.5	-64.3	157.7	0	0	0	112.2
2534	N	33	Very low	33.5	Very low	102 Å²	102	119.8 Å²	119.8	55%	0.545	64%	0.642	S	S	.	*			cis	-162.8	158.1	9.6	-141.1	62.5	0	0	0	111.5
2535	S	37.2	Very low	34	Very low	65 Å²	65	122.9 Å²	122.9	46%	0.455	66%	0.657	S	S	.	*			trans	34.9	111.9	145.3	57.8	0	0	0	0	118.9
2536	D	41.7	Very low	34.4	Very low	127 Å²	127	124.2 Å²	124.2	68%	0.679	66%	0.664	S	S	*	*			cis	-161.9	157.9	-0.4	-78	-63	0	0	0	105.8
2537	N	37.4	Very low	34.8	Very low	118 Å²	118	124.3 Å²	124.3	63%	0.631	67%	0.665	S	S	*	*			cis	-162.7	171.5	-18.7	-86	-24.9	0	0	0	106.1
2538	D	38.2	Very low	35.1	Very low	143 Å²	143	125.4 Å²	125.4	77%	0.765	67%	0.671	S	S	*	*			cis	77.7	84.5	22.5	-62.3	54.1	0	0	0	113.8
2539	D	39.3	Very low	35.5	Very low	148 Å²	148	123.4 Å²	123.4	79%	0.791	66%	0.66	S	S	*	*			cis	-158.5	170.8	10.8	-50	-54.7	0	0	0	106.6
2540	D	37.8	Very low	35.6	Very low	153 Å²	153	125.4 Å²	125.4	82%	0.818	68%	0.675	S	S	*	*			cis	-166.6	165.5	-2.4	-96	-24.4	0	0	0	109.2
2541	D	42.2	Very low	35.3	Very low	158 Å²	158	125.8 Å²	125.8	85%	0.845	68%	0.677	S	S	*	*			trans	-133.8	132.4	171.5	156.8	41	0	0	0	108.9
2542	D	31.2	Very low	35.1	Very low	124 Å²	124	125.7 Å²	125.7	66%	0.663	69%	0.689	S	S	*	*			trans	-174.4	145.5	-170	-124.2	-23.6	0	0	0	122.5
2543	N	30.3	Very low	34.8	Very low	110 Å²	110	132.4 Å²	132.4	59%	0.588	72%	0.715	S	S	*	*				102.2	103.9	127.7	-90.4	-51.4	0	0	0	127.5
2544	N	33.4	Very low	34.3	Very low	130 Å²	130	131.5 Å²	131.5	70%	0.695	71%	0.712	S	S	*	*			trans	72.2	123	147.1	-46	-81.1	0	0	0	120.2
2545	E	29.9	Very low	34.1	Very low	177 Å²	177	133.6 Å²	133.6	83%	0.827	72%	0.722	S	S	*	*			cis	73.5	124.8	17	-56.3	-172.1	166.1	0	0	120.1
2546	D	34.6	Very low	33.9	Very low	115 Å²	115	134.1 Å²	134.1	62%	0.615	74%	0.739	S	S	*	*			trans	-177.6	148.3	133	-94.2	-33.8	0	0	0	107	S2502	S2502-D2546 WeakPolarHBondContact CA-O 3.43Å; S2502-D2546 PolarHBondContact N-O 3.26Å
2547	E	32.6	Very low	33.4	Very low	143 Å²	143	138.2 Å²	138.2	67%	0.668	75%	0.75	S	S	*	*			trans	-137.6	115.6	-159	-54.2	171.3	117.1	0	0	118.5	A2500 H2501	A2500-E2547 CarbonylContact C-O 3.58Å; A2500-E2547 WeakPolarHBondContact CA-O 3.25Å; H2501-E2547 PolarHBondContact N-O 3.1Å
2548	D	33.5	Very low	33.4	Very low	118 Å²	118	137.8 Å²	137.8	63%	0.631	75%	0.754	S	S	*	*			trans	64.8	166.2	158.7	-51	-27.7	0	0	0	124.3	A2500 H2501	A2500-D2548 CarbonylContact C-O 3.51Å; A2500-D2548 WeakPolarHBondContact CA-O 3.25Å; A2500-D2548 VanDerWaalsContact CB-O 3.31Å; A2500-D2548 WeakPolarHBondContact CB-O 3.16Å; H2501-D2548 WeakPolarHBondContact CA-O 3.47Å; H2501-D2548 PolarHBondContact CD2-O 2.8Å; H2501-D2548 PolarHBondContact N-O 2.71Å
2549	D	34.5	Very low	33	Very low	89 Å²	89	140.1 Å²	140.1	48%	0.476	76%	0.762	S	S	.	*			trans	143.9	113.7	159.3	-100.7	-4.7	0	0	0	112.7	A2500 H2501	A2500-D2549 HydrophobicContact CB-CB 4.11Å; A2500-D2549 WeakPolarHBondContact CB-OD2 3.19Å; H2501-D2549 PolarHBondContact NE2-N 3.14Å; H2501-D2549 PolarHBondContact NE2-O 2.67Å
2550	D	34.7	Very low	32.7	Very low	162 Å²	162	139.5 Å²	139.5	87%	0.866	77%	0.765	S	S	*	*			trans	-55.4	-176.5	-175.4	-83.1	-63	0	0	0	120.8
2551	D	29.4	Very low	32.6	Very low	168 Å²	168	142.2 Å²	142.2	90%	0.898	77%	0.769	S	S	*	*			trans	84.7	97	170.8	-72.9	-23.5	0	0	0	116.9
2552	G	27.6	Very low	32.3	Very low	83 Å²	83	140.9 Å²	140.9	86%	0.856	77%	0.767	S	S	*	*			trans	-93.3	170.3	-174.5	0	0	0	0	0	117.7
2553	E	32.7	Very low	32.5	Very low	194 Å²	194	144.3 Å²	144.3	91%	0.907	77%	0.77	S	S	*	*			trans	-148.5	103.1	173	-150	177	-137.6	0	0	113
2554	N	29.4	Very low	32.5	Very low	135 Å²	135	142.8 Å²	142.8	72%	0.722	77%	0.769	S	S	*	*			trans	69.7	154.5	135.9	-150.7	50.2	0	0	0	123.1
2555	D	29.7	Very low	32.4	Very low	145 Å²	145	143.3 Å²	143.3	78%	0.775	77%	0.77	S	S	*	*			trans	76.5	80.7	163.2	-60.7	-41.8	0	0	0	120.8
2556	G	31.1	Very low	32.5	Very low	77 Å²	77	140.2 Å²	140.2	79%	0.794	76%	0.763	S	S	*	*			trans	-107.9	-118	175.3	0	0	0	0	0	115.8
2557	K	32.9	Very low	32.1	Very low	212 Å²	212	141.4 Å²	141.4	92%	0.922	77%	0.768	S	S	*	*			trans	160.6	165.2	163.1	-98.1	179.5	175.8	-168.5	0	110.1
2558	P	35.7	Very low	32.7	Very low	109 Å²	109	138.9 Å²	138.9	71%	0.708	77%	0.766	S	S	*	*			trans	-122.9	159.6	-161	41.6	-30.1	0	0	0	116.9
2559	M	30.7	Very low	33.1	Very low	192 Å²	192	139.5 Å²	139.5	95%	0.946	77%	0.769	S	S	*	*			trans	-163	162.1	137.6	-104.5	161.1	175.7	0	0	109
2560	T	33.8	Very low	32.8	Very low	136 Å²	136	142.2 Å²	142.2	83%	0.834	78%	0.782	S	S	*	*			trans	-137.6	150.3	-143.6	47.7	0	0	0	0	117.1
2561	K	35.1	Very low	32.7	Very low	209 Å²	209	144.4 Å²	144.4	91%	0.909	78%	0.784	S	S	*	*			trans	-79.2	167.9	172.6	-59.7	-173.3	174.6	-168.6	0	114.3
2562	T	36.8	Very low	32.7	Very low	131 Å²	131	147.1 Å²	147.1	80%	0.804	78%	0.782	S	S	*	*			trans	-98.4	165.3	159.1	37.2	0	0	0	0	110.6
2563	R	33.8	Very low	32.8	Very low	195 Å²	195	150.7 Å²	150.7	74%	0.736	78%	0.779	S	S	*	*			cis	84.6	97	-2.8	-133.9	-78	83.6	94.9	-7	118.1
2564	S	30	Very low	32.7	Very low	79 Å²	79	150.7 Å²	150.7	55%	0.552	78%	0.779	S	S	*	*			trans	-65	173.4	177.3	70.4	0	0	0	0	115.4
2565	I	32.8	Very low	32.8	Very low	141 Å²	141	150.9 Å²	150.9	72%	0.723	78%	0.78	S	S	*	*			trans	-137.2	111.5	168.4	-64.5	-174.9	0	0	0	111.2	S2568	I2565-S2568 VanDerWaalsContact CG2-OG 3.25Å; I2565-S2568 WeakPolarHBondContact CG2-OG 3.17Å
2566	V	30.8	Very low	32.9	Very low	112 Å²	112	149.8 Å²	149.8	68%	0.679	77%	0.773	S	S	*	*			trans	-63.1	144.5	166.9	169.7	0	0	0	0	110.9	S2568	V2566-S2568 VanDerWaalsContact O-CB 3.31Å; V2566-S2568 WeakPolarHBondContact O-CB 3.2Å; V2566-S2568 PolarHBondContact O-N 2.55Å; V2566-S2568 PolarHBondContact O-OG 3.13Å
2567	L	27.5	Very low	33.2	Very low	140 Å²	140	155.6 Å²	155.6	73%	0.733	78%	0.777	S	S	*	*			trans	-4.5	82.9	167.6	-86.1	161.8	0	0	0	115.5	I2569	L2567-I2569 WeakPolarHBondContact O-CA 3.46Å
2568	S	44.2	Very low	33.2	Very low	89 Å²	89	148.6 Å²	148.6	62%	0.622	77%	0.765	S	S	*	*			trans	-115.7	91.5	-168.7	-81.5	0	0	0	0	114.6	I2565 V2566	I2565-S2568 VanDerWaalsContact CG2-OG 3.25Å; I2565-S2568 WeakPolarHBondContact CG2-OG 3.17Å; V2566-S2568 VanDerWaalsContact O-CB 3.31Å; V2566-S2568 WeakPolarHBondContact O-CB 3.2Å; V2566-S2568 PolarHBondContact O-N 2.55Å; V2566-S2568 PolarHBondContact O-OG 3.13Å
2569	I	41.8	Very low	33.2	Very low	132 Å²	132	149 Å²	149	68%	0.677	77%	0.765	S	S	*	*			cis	-136.1	141	-17	-65.5	82	0	0	0	105	L2567 K2571	L2567-I2569 WeakPolarHBondContact O-CA 3.46Å; I2569-K2571 PolarHBondContact O-N 2.68Å
2570	L	29.5	Very low	33.4	Very low	145 Å²	145	148.3 Å²	148.3	76%	0.759	76%	0.76	S	S	*	*	S	Bend	trans	-55	125.7	176.3	-86.2	167.5	0	0	0	111.2
2571	K	30.7	Very low	33.4	Very low	208 Å²	208	147.7 Å²	147.7	90%	0.904	75%	0.751	S	S	*	*	S	Bend	trans	74.5	69.2	-170.4	-56.8	157.6	-175.8	142.8	0	114.9	I2569	I2569-K2571 PolarHBondContact O-N 2.68Å
2572	R	29.8	Very low	33.4	Very low	226 Å²	226	144.8 Å²	144.8	85%	0.853	75%	0.746	S	S	*	*			trans	-55.8	159.4	163	-161	173.1	-178.9	140.4	-6.4	111.9
2573	I	30.8	Very low	33.3	Very low	157 Å²	157	145.6 Å²	145.6	81%	0.805	75%	0.745	S	S	*	*			trans	88.3	92.2	168.3	-46.4	159.2	0	0	0	117
2574	E	30.9	Very low	33.4	Very low	195 Å²	195	141.1 Å²	141.1	91%	0.911	74%	0.744	S	S	*	*				-166.9	176	102.3	-131.7	-178.4	-152	0	0	111.7
2575	N	30.1	Very low	33.6	Very low	138 Å²	138	140.5 Å²	140.5	74%	0.738	75%	0.75	S	S	*	*			trans	-91.4	127.4	-162.2	-97.6	-43.5	0	0	0	116.7
2576	I	32.8	Very low	33.6	Very low	122 Å²	122	141.7 Å²	141.7	63%	0.626	75%	0.752	S	S	*	*			trans	68.2	135.6	133.6	-58.7	165.1	0	0	0	119.7
2577	F	36	Very low	33.7	Very low	200 Å²	200	142 Å²	142	88%	0.877	75%	0.75	S	S	*	*			trans	144.4	111.6	135.3	-79.4	-62.3	0	0	0	111.3
2578	G	32.9	Very low	33.9	Very low	65 Å²	65	140.3 Å²	140.3	67%	0.67	75%	0.746	S	S	*	*			cis	141.7	174.9	-5	0	0	0	0	0	113.4
2579	V	35.5	Very low	33.4	Very low	118 Å²	118	144.6 Å²	144.6	72%	0.715	76%	0.756	S	S	*	*			trans	80	148.6	159.3	-172.9	0	0	0	0	115.5
2580	E	35	Very low	32.9	Very low	177 Å²	177	145.9 Å²	145.9	83%	0.827	76%	0.759	S	S	*	*	S	Bend	cis	-139.7	132.9	14.5	-151.2	171.2	-86.9	0	0	108.5
2581	D	34.9	Very low	33.1	Very low	122 Å²	122	146 Å²	146	65%	0.652	76%	0.761	S	S	*	*			cis	-158.7	175.3	-13.2	-90.3	-14.6	0	0	0	107.1
2582	D	34.6	Very low	33.2	Very low	148 Å²	148	142.7 Å²	142.7	79%	0.791	75%	0.753	S	S	*	*			trans	73.6	154.8	177.2	-61.7	16	0	0	0	118.1
2583	D	35.6	Very low	33.2	Very low	148 Å²	148	136.3 Å²	136.3	79%	0.791	74%	0.743	S	S	*	*			cis	171.2	162.8	-45.1	-97.8	-12.2	0	0	0	114.1
2584	S	36.1	Very low	33.2	Very low	101 Å²	101	135.7 Å²	135.7	71%	0.706	74%	0.74	S	S	*	*			cis	-174.3	153.3	-10	49.4	0	0	0	0	114.7
2585	G	32.7	Very low	33.1	Very low	67 Å²	67	134.4 Å²	134.4	69%	0.691	73%	0.734	S	S	*	*			trans	76.4	152.4	148.7	0	0	0	0	0	119.1
2586	H	34	Very low	33.1	Very low	166 Å²	166	136 Å²	136	77%	0.769	74%	0.737	S	S	*	*			cis	-168.1	163.4	2.8	-94.5	-77.3	0	0	0	106.5
2587	D	33.2	Very low	33	Very low	117 Å²	117	136.5 Å²	136.5	63%	0.626	74%	0.74	S	S	*	*			cis	-159.4	139.3	4	-105.6	-29.4	0	0	0	106.4
2588	T	31.7	Very low	32.8	Very low	106 Å²	106	133.3 Å²	133.3	65%	0.65	73%	0.727	S	S	*	*				64.1	160.2	81.1	69.2	0	0	0	0	115.6
2589	E	33	Very low	32.8	Very low	179 Å²	179	136.8 Å²	136.8	84%	0.836	73%	0.73	S	S	*	*			cis	-141.7	155.3	5.7	-51.4	168.1	124.7	0	0	107.1
2590	E	32.2	Very low	33	Very low	158 Å²	158	141.7 Å²	141.7	74%	0.738	75%	0.745	S	S	*	*			cis	-171	-178.6	-30.5	-106.9	167.3	105.2	0	0	108.8
2591	D	31.8	Very low	32.9	Very low	149 Å²	149	140 Å²	140	80%	0.797	74%	0.741	S	S	*	*			trans	104.7	145.9	152.2	-63.5	-26.5	0	0	0	127.8
2592	D	33.5	Very low	32.8	Very low	137 Å²	137	140.9 Å²	140.9	73%	0.733	75%	0.746	S	S	*	*			trans	76.9	77.6	144.6	-72.1	-1.4	0	0	0	127.3
2593	S	30.9	Very low	32.7	Very low	92 Å²	92	140.5 Å²	140.5	64%	0.643	74%	0.743	S	S	*	*				50.8	147.6	104.6	85.4	0	0	0	0	126.6
2594	L	30.9	Very low	32.5	Very low	144 Å²	144	140.1 Å²	140.1	75%	0.754	74%	0.741	S	S	*	*			trans	90.9	137	145.8	-74.7	168.4	0	0	0	122.1
2595	E	28.7	Very low	32.2	Very low	168 Å²	168	142.5 Å²	142.5	79%	0.785	74%	0.743	S	S	*	*			trans	30	146.2	142.5	-68.1	176.2	146.3	0	0	123.2
2596	E	29.3	Very low	32.2	Very low	172 Å²	172	147.5 Å²	147.5	80%	0.804	75%	0.746	S	S	*	*			trans	77.5	138.3	156.1	-80.6	-171.9	155.1	0	0	120.4
2597	I	31.3	Very low	32.1	Very low	132 Å²	132	146.2 Å²	146.2	68%	0.677	75%	0.745	S	S	*	*			trans	90.4	116.2	135.7	-82.3	167.1	0	0	0	120.8
2598	H	30.9	Very low	32	Very low	134 Å²	134	148.5 Å²	148.5	62%	0.62	75%	0.754	S	S	*	*			trans	79.5	145	148	-97.3	-89.1	0	0	0	122.3
2599	D	33.7	Very low	32	Very low	137 Å²	137	152 Å²	152	73%	0.733	76%	0.762	S	S	*	*			trans	-61.2	133.7	160	-20.9	-93.1	0	0	0	109.8
2600	H	38.4	Very low	31.9	Very low	222 Å²	222	149.5 Å²	149.5	100%	1.028	76%	0.756	S	S	*	*			trans	-156.7	0	140.3	-137.1	-46.2	0	0	0	112.3

Retrieved 2,600 of 2,600 residues in 1482.2 ms (Link to these results)

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