A0AA82N7Y2_SCHMA Loading...

Queuine tRNA-ribosyltransferase catalytic subunit 1 AlphaSync

Catalytic subunit of the queuine tRNA-ribosyltransferase (TGT) that catalyzes the base-exchange of a guanine (G) residue with queuine (Q) at position 34 (anticodon wobble position) in tRNAs with GU(N) anticodons (tRNA-Asp, -Asn, -His and -Tyr), resulting in the hypermodified nucleoside queuosine (7-(((4,5-cis-dihydroxy-2-cyclopenten-1-yl)amino)methyl)-7-deazaguanosine). Catalysis occurs through a double-displacement mechanism. The nucleophile active site attacks the C1' of nucleotide 34 to detach the guanine base from the RNA, forming a covalent enzyme-RNA intermediate. The proton acceptor active site deprotonates the incoming queuine, allowing a nucleophilic attack on the C1' of the ribose to form the product.

AlphaFold DB , UniProt , Accession A0AA82N7Y2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,338 aa.

						>A0AA82N7Y2_SCHMA|A0AA82N7Y2
MPISDSTFCVNSQHKLLTVYTDSAPNSLSELNCPNVLDSLGTFDHEGTSNRTSNAEAVGNSFVTFEVSETETCASNLSDDFQTAPEYSLHTEVYVPATFPSTLCRYTNQTNTDSYGDIVSQNLMWLAEEAVHAPLDVMTELPQDTNLMSDVHPNYKADSTLESHFYVTLPPHSEISGASQPFYSLQDESITSNNGRSEQIHMCVDSTVQTFSSELEVTSDLVRVSGFTSESKDNIIPWPNSSESCFYNSHYFKGVPNFSMNSSLCIHTMEPREASGENYVNGFTVYQGPSSSNELLDQTFEYPVCDFFPTDGHNYNSYDHSKPSYYNSFSEGFSSAVVYPDWDPNSYESEQHDCYSESIFISGFPDSVTQDNAYVSTYLIPNQNCDSRLKQSNSYPDATVHVPFCTAYETNANSFQSNNSVQCTHAFELPSATFLTDTDQQSTRNVSSVYTPAVVYPCSNTKSESLPNNTEYSSVGNVPAKCVPVIPPIISENNNTVSKKSKWICTHCSLSFTRPSHLVDHLRIHTGERPYKCILCGRQFTQASNLRRHLSSHRAWPPVSSVTTTASNGHHDSEMVPKNTEVVTNSTSCRHVSPKTWICRFCDQRFETYIQLRAHIVHHKDKQVYACVFSDCNSSFSSPNGLLNHLLEKHRGNRSDKLACHTCDQKFHDFLHLVRHLLPRRNGSNSGCPLLYIRSRKKESKLLKRNRKVISHHRSTSAQDGERSSKSSTEYSSTANYSDPTFRLLPLQRFKKDDSLFGFKCPFCVKICKSLKHIHTHLSETHSSLMNLSVFKSTLSKKTANDDTINVVSLLHNTDSSFSGGDSSKTALFLLQLEKCMLSHGNHIESNKNASPKIFVCKFCGKSFQKQKFFSDHELMCQQMPRLSVQASSALQFDILFECSQTRARCCNLWLPHCPSGPVETPVFMPVGTQGAMKGITVGQLEQLDCRILLGNTYHLGHRPGPEVLRKAGGLHKFMSWPRAILTDSGGFQMVSLNKLSEVTEEGVRFTSPHNHTEMLLTPEESVGNFQNALGSDIVMQLDHVVHVLTDDKSMKKAMERSVRWLDRHVSITAHKSQESNQNLFAITQGGLDPSMRIDCINEMLKRKDKLAGFAIGGLSGGESKDNFWRIIKLSTEHLPLDRPRYVMGVGFPIDLVVCIALGCDMFDCVYPTRTGRFGNALVPWGQLNLRQAKYATDFRPIDENCSCPTCSRPLSRAWLHSALSGRQVSSSAIISLHNLAYMLGLMKQIREAISANTFPEFVHSFFERRCYKGKKDESQSEYEGCRPPTWACDALKSVGIDISDIGRNLNGVNCYENVNDEIESKRSRNSSLNYESIESSN
					

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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	27	Very low	26.9	Very low	239 Å²	239	147.2 Å²	147.2	100%	1.177	84%	0.835	S	S	*	*				0	149.3	0	-66.5	174.8	76.8	0	0	107.8
2	P	30.5	Very low	27.1	Very low	120 Å²	120	144.1 Å²	144.1	78%	0.779	83%	0.83	S	S	*	*			trans	-88.3	160	-171.1	35.9	-36.3	0	0	0	113.2
3	I	29.1	Very low	27	Very low	174 Å²	174	145.1 Å²	145.1	89%	0.892	82%	0.822	S	S	*	*			trans	-175.8	158	132.3	-93.2	154.9	0	0	0	107.1
4	S	28	Very low	27.1	Very low	88 Å²	88	148.1 Å²	148.1	62%	0.615	83%	0.825	S	S	*	*			trans	-111.2	174.5	-154.3	63.8	0	0	0	0	116
5	D	29.8	Very low	26.8	Very low	145 Å²	145	150.5 Å²	150.5	78%	0.775	82%	0.824	S	S	*	*			trans	60.5	95.9	153.4	-49.1	-43.1	0	0	0	119.8
6	S	25.8	Very low	26.8	Very low	113 Å²	113	151.4 Å²	151.4	79%	0.79	83%	0.826	S	S	*	*			trans	-154.2	142.2	135.1	-6.6	0	0	0	0	112.3	F8	S6-F8 PolarHBondContact O-N 2.68Å
7	T	25.1	Very low	26.7	Very low	140 Å²	140	150.7 Å²	150.7	86%	0.859	82%	0.821	S	S	*	*			trans	-41.2	114.2	173.5	31.7	0	0	0	0	115.6
8	F	24.6	Very low	26.7	Very low	192 Å²	192	149.5 Å²	149.5	84%	0.842	82%	0.819	S	S	*	*			trans	-137.9	113.5	161.4	-102.5	-85.6	0	0	0	111.9	S6 V10	S6-F8 PolarHBondContact O-N 2.68Å; F8-V10 PolarHBondContact O-N 3.16Å
9	C	25.1	Very low	26.7	Very low	124 Å²	124	146.9 Å²	146.9	84%	0.838	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-69.3	122.2	166.8	-74.5	0	0	0	0	109.5	N11	C9-N11 PolarHBondContact O-N 3.26Å
10	V	26.5	Very low	26.7	Very low	139 Å²	139	149 Å²	149	84%	0.842	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-76.5	119	-175.4	179.9	0	0	0	0	110.6	F8 S12	F8-V10 PolarHBondContact O-N 3.16Å; V10-S12 PolarHBondContact O-N 2.78Å
11	N	24.3	Very low	26.7	Very low	145 Å²	145	148.3 Å²	148.3	78%	0.775	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-62.7	118.9	173.5	-79.3	-82.6	0	0	0	111.2	C9	C9-N11 PolarHBondContact O-N 3.26Å
12	S	29.4	Very low	26.7	Very low	110 Å²	110	143.3 Å²	143.3	77%	0.769	78%	0.784	S	S	*	*			trans	-106.3	107.9	162	46.9	0	0	0	0	109.8	V10	V10-S12 PolarHBondContact O-N 2.78Å
13	Q	25.4	Very low	26.7	Very low	157 Å²	157	142.2 Å²	142.2	73%	0.734	78%	0.779	S	S	*	*			trans	-84	118.6	178.5	-65.6	-177.1	2.2	0	0	110.7
14	H	28.2	Very low	26.6	Very low	187 Å²	187	137.2 Å²	137.2	87%	0.866	76%	0.764	S	S	*	*			trans	-119.9	117.9	161.3	-90	-88.8	0	0	0	112
15	K	23.6	Very low	26.8	Very low	185 Å²	185	136.8 Å²	136.8	80%	0.804	76%	0.759	S	S	*	*			trans	-74	127.6	173	-61.3	166	-176.9	167.1	0	108.6
16	L	26.6	Very low	26.7	Very low	165 Å²	165	135 Å²	135	86%	0.864	75%	0.749	S	S	*	*			trans	-118.3	108	162.5	-110.3	163.5	0	0	0	108.8
17	L	25.4	Very low	26.7	Very low	139 Å²	139	134.5 Å²	134.5	73%	0.728	75%	0.746	S	S	*	*			trans	-90	109.1	-174.4	-141.7	78.3	0	0	0	108.9	V19	L17-V19 VanDerWaalsContact C-N 3.29Å; L17-V19 HydrophobicContact CB-CG2 4.18Å; L17-V19 HydrophobicContact CD2-CG2 3.86Å; L17-V19 HydrophobicContact CG-CG2 4.19Å; L17-V19 PolarHBondContact O-N 3.02Å
18	T	25.6	Very low	26.8	Very low	129 Å²	129	136.2 Å²	136.2	79%	0.791	75%	0.749	S	S	*	*			trans	-73.3	81.6	176.6	-44.7	0	0	0	0	110.7
19	V	27.7	Very low	26.8	Very low	101 Å²	101	131.6 Å²	131.6	61%	0.612	74%	0.74	S	S	*	*			trans	-88.3	110.3	-179.7	-179.6	0	0	0	0	110.7	L17	L17-V19 VanDerWaalsContact C-N 3.29Å; L17-V19 HydrophobicContact CB-CG2 4.18Å; L17-V19 HydrophobicContact CD2-CG2 3.86Å; L17-V19 HydrophobicContact CG-CG2 4.19Å; L17-V19 PolarHBondContact O-N 3.02Å
20	Y	26.4	Very low	26.9	Very low	187 Å²	187	133.7 Å²	133.7	73%	0.733	74%	0.738	S	S	*	*			trans	-64.4	128.5	165.8	-70.3	-110	0	0	0	110	F434	Y20-F434 HydrophobicContact CE2-CZ 4.4Å
21	T	26.9	Very low	27	Very low	135 Å²	135	135.3 Å²	135.3	83%	0.828	74%	0.741	S	S	*	*			trans	-138.7	134.8	154.7	42.6	0	0	0	0	111.4
22	D	27.6	Very low	27.1	Very low	134 Å²	134	135.5 Å²	135.5	72%	0.717	74%	0.742	S	S	*	*			trans	-103.1	126.5	-179.6	-148.2	-20.5	0	0	0	109.9
23	S	28.9	Very low	27	Very low	98 Å²	98	136.1 Å²	136.1	69%	0.685	75%	0.745	S	S	*	*			trans	31.1	129.1	145.9	-48.5	0	0	0	0	121.3
24	A	27.7	Very low	27.3	Very low	69 Å²	69	134 Å²	134	57%	0.57	74%	0.744	S	S	*	*			trans	89.4	142.9	149.9	0	0	0	0	0	119.6
25	P	31.7	Very low	27.3	Very low	78 Å²	78	132.1 Å²	132.1	51%	0.506	74%	0.741	S	S	.	*			trans	-93.5	174.3	-166.8	39.3	-39.5	0	0	0	114.5
26	N	28.9	Very low	27.6	Very low	107 Å²	107	129.7 Å²	129.7	57%	0.572	74%	0.741	S	S	*	*			trans	-170.2	157.6	131.3	-102	11.3	0	0	0	111.2
27	S	25.9	Very low	27.6	Very low	104 Å²	104	128.2 Å²	128.2	73%	0.727	73%	0.733	S	S	*	*			trans	-70.3	152.8	174	44.6	0	0	0	0	113.4
28	L	26.5	Very low	27.7	Very low	176 Å²	176	127.9 Å²	127.9	92%	0.921	73%	0.733	S	S	*	*			trans	-142.7	74.1	162.5	-97.3	171.7	0	0	0	109.2
29	S	25.1	Very low	27.9	Very low	95 Å²	95	125.8 Å²	125.8	66%	0.664	72%	0.723	S	S	*	*			trans	-80.9	163	149.9	46.9	0	0	0	0	109.2
30	E	26.6	Very low	27.9	Very low	168 Å²	168	129.1 Å²	129.1	79%	0.785	74%	0.737	S	S	*	*			trans	68.3	99.6	174.3	-54	-164.4	-176	0	0	117.7
31	L	28.3	Very low	28	Very low	172 Å²	172	122.8 Å²	122.8	90%	0.901	73%	0.728	S	S	*	*				-148.8	97.5	126.7	-116.7	168.4	0	0	0	108.4
32	N	26.3	Very low	28.1	Very low	150 Å²	150	122 Å²	122	80%	0.802	72%	0.723	S	S	*	*			trans	-72.2	133.5	177.1	-78.4	-35.7	0	0	0	111
33	C	27.4	Very low	28.2	Very low	122 Å²	122	124.3 Å²	124.3	82%	0.824	73%	0.727	S	S	*	*			trans	-130	137.3	152.5	-79.4	0	0	0	0	107.9
34	P	31.5	Very low	28.2	Very low	112 Å²	112	125.6 Å²	125.6	73%	0.727	73%	0.726	S	S	*	*			trans	-95.4	158.7	-161	36.8	-37.8	0	0	0	115.8
35	N	28.3	Very low	28.4	Very low	149 Å²	149	130 Å²	130	80%	0.797	74%	0.735	S	S	*	*			trans	40	122.4	143.6	-57.1	-4.9	0	0	0	121.2
36	V	29.7	Very low	28.2	Very low	134 Å²	134	134.7 Å²	134.7	81%	0.812	75%	0.75	S	S	*	*				-176.3	107.3	110.4	148.7	0	0	0	0	105.5
37	L	26.7	Very low	28.2	Very low	133 Å²	133	133.3 Å²	133.3	70%	0.696	76%	0.761	S	S	*	*				75.8	134.8	78.1	-95.6	167.4	0	0	0	115.1
38	D	29	Very low	28.3	Very low	133 Å²	133	134.7 Å²	134.7	71%	0.711	77%	0.765	S	S	*	*			trans	69.7	144.5	161.4	-70.7	-52.3	0	0	0	120.3
39	S	29.3	Very low	28.3	Very low	85 Å²	85	130.9 Å²	130.9	59%	0.594	75%	0.754	S	S	*	*			cis	-167.6	156.3	-16.8	-123.8	0	0	0	0	112.4
40	L	27.3	Very low	28.4	Very low	171 Å²	171	133.3 Å²	133.3	90%	0.895	76%	0.759	S	S	*	*			trans	56.1	153.7	153.2	-57.7	163.7	0	0	0	119.4
41	G	28.9	Very low	28.5	Very low	53 Å²	53	136.4 Å²	136.4	55%	0.546	76%	0.764	S	S	.	*			cis	-172.9	138.5	-9	0	0	0	0	0	108.9
42	T	28.4	Very low	28.3	Very low	120 Å²	120	134.2 Å²	134.2	74%	0.736	76%	0.757	S	S	*	*				84.2	145.7	93.8	53.2	0	0	0	0	117.3
43	F	30.7	Very low	28.3	Very low	182 Å²	182	132.9 Å²	132.9	80%	0.798	76%	0.76	S	S	*	*			trans	82.3	148.4	171.7	-53.2	-73.2	0	0	0	120.4
44	D	28	Very low	28.2	Very low	124 Å²	124	135.4 Å²	135.4	66%	0.663	77%	0.765	S	S	*	*				-178.7	168	-52.1	-102.2	-43.5	0	0	0	111.5
45	H	32.3	Very low	28	Very low	161 Å²	161	134.9 Å²	134.9	75%	0.745	77%	0.77	S	S	*	*			trans	61.6	167.5	164.4	-67.9	-72.3	0	0	0	118.2
46	E	26.5	Very low	27.8	Very low	177 Å²	177	137 Å²	137	83%	0.827	78%	0.775	S	S	*	*				-161.2	154.1	-54.1	-120.3	-179.2	145.7	0	0	107.4
47	G	30.6	Very low	27.6	Very low	78 Å²	78	135.1 Å²	135.1	80%	0.804	77%	0.774	S	S	*	*			trans	177.3	114.2	179.1	0	0	0	0	0	116.2
48	T	27	Very low	27.5	Very low	133 Å²	133	135.6 Å²	135.6	82%	0.816	78%	0.782	S	S	*	*			trans	-95.4	150.2	-167.4	52.3	0	0	0	0	116.4
49	S	26.9	Very low	27.4	Very low	97 Å²	97	132.3 Å²	132.3	68%	0.678	78%	0.78	S	S	*	*			trans	108.8	135.4	133.9	82.9	0	0	0	0	121.3
50	N	26.3	Very low	27.2	Very low	145 Å²	145	135.4 Å²	135.4	78%	0.775	79%	0.79	S	S	*	*			trans	57.8	96.6	141.3	-60.9	-17.3	0	0	0	121.2
51	R	28.1	Very low	27.1	Very low	234 Å²	234	132.5 Å²	132.5	88%	0.883	78%	0.783	S	S	*	*				176.5	130.7	99.3	-98.9	173	174.7	171.3	-1.9	115.8
52	T	25.6	Very low	26.9	Very low	126 Å²	126	138.9 Å²	138.9	77%	0.773	80%	0.797	S	S	*	*			trans	35.8	100.3	144.2	58.6	0	0	0	0	120.5
53	S	26.7	Very low	26.6	Very low	121 Å²	121	138.7 Å²	138.7	85%	0.846	80%	0.795	S	S	*	*				-171.4	155.5	128.9	33.1	0	0	0	0	110.4
54	N	24.6	Very low	26.3	Very low	176 Å²	176	135.6 Å²	135.6	94%	0.941	79%	0.791	S	S	*	*			trans	-83.7	126.7	-171	-61.7	-13.3	0	0	0	112
55	A	26.4	Very low	26.1	Very low	101 Å²	101	139 Å²	139	84%	0.835	80%	0.8	S	S	*	*			trans	-156.2	136.1	160.6	0	0	0	0	0	110.2
56	E	23.9	Very low	25.7	Very low	193 Å²	193	138 Å²	138	90%	0.902	80%	0.796	S	S	*	*			trans	-89.8	139	-179.8	-62.5	168.9	115.9	0	0	111.1
57	A	26.8	Very low	25.6	Very low	95 Å²	95	135.5 Å²	135.5	79%	0.785	79%	0.792	S	S	*	*			trans	-139.3	86.4	-178.9	0	0	0	0	0	113.1
58	V	24.9	Very low	25.5	Very low	142 Å²	142	135.4 Å²	135.4	86%	0.861	78%	0.78	S	S	*	*			trans	30.1	109.7	130.8	-175.4	0	0	0	0	117.3
59	G	26	Very low	25.5	Very low	65 Å²	65	136.6 Å²	136.6	67%	0.67	78%	0.776	S	S	*	*			trans	-122.8	111.4	171.9	0	0	0	0	0	114.3	S61	G59-S61 PolarHBondContact O-N 3.13Å
60	N	25.8	Very low	25.8	Very low	150 Å²	150	137.5 Å²	137.5	80%	0.802	78%	0.778	S	S	*	*			trans	56.4	49.1	156.1	-63	-16	0	0	0	119.8	F62	N60-F62 PolarHBondContact O-N 2.82Å
61	S	24	Very low	25.8	Very low	109 Å²	109	136.9 Å²	136.9	76%	0.762	77%	0.77	S	S	*	*			trans	-71.5	107.3	159	-47.5	0	0	0	0	110.8	G59 V63	G59-S61 PolarHBondContact O-N 3.13Å; S61-V63 PolarHBondContact O-N 3.38Å
62	F	25.1	Very low	25.9	Very low	188 Å²	188	130.9 Å²	130.9	83%	0.825	76%	0.76	S	S	*	*			trans	-72.2	111	-178.9	-101.6	-86.1	0	0	0	112.6	N60 T64	N60-F62 PolarHBondContact O-N 2.82Å; F62-T64 PolarHBondContact O-N 2.57Å; F62-T64 VanDerWaalsContact O-N 3.14Å
63	V	22.6	Very low	25.9	Very low	116 Å²	116	130.4 Å²	130.4	70%	0.703	76%	0.76	S	S	*	*			trans	-67.3	108.3	174.9	179.7	0	0	0	0	110.3	S61 F65	S61-V63 PolarHBondContact O-N 3.38Å; V63-F65 HydrophobicContact CG1-CD2 4.08Å; V63-F65 HydrophobicContact CG1-CE2 3.76Å; V63-F65 HydrophobicContact CG1-CZ 4.4Å
64	T	24.2	Very low	25.9	Very low	117 Å²	117	126.7 Å²	126.7	72%	0.718	74%	0.737	S	S	*	*			trans	-98.7	110.8	175.6	34.9	0	0	0	0	111	F62 E66	F62-T64 PolarHBondContact O-N 2.57Å; F62-T64 VanDerWaalsContact O-N 3.14Å; T64-E66 PolarHBondContact O-N 3.01Å; T64-E66 VanDerWaalsContact O-N 3.16Å
65	F	23	Very low	26.1	Very low	194 Å²	194	123.9 Å²	123.9	85%	0.851	73%	0.731	S	S	*	*			trans	-80.6	82.7	168.7	-73.2	-94.2	0	0	0	109.9	V63	V63-F65 HydrophobicContact CG1-CD2 4.08Å; V63-F65 HydrophobicContact CG1-CE2 3.76Å; V63-F65 HydrophobicContact CG1-CZ 4.4Å
66	E	25	Very low	26.3	Very low	140 Å²	140	125.8 Å²	125.8	65%	0.654	73%	0.727	S	S	*	*			trans	-85.1	119.1	173.9	-76	-132.5	113.5	0	0	112.3	T64 S68 R514	T64-E66 PolarHBondContact O-N 3.01Å; T64-E66 VanDerWaalsContact O-N 3.16Å; E66-S68 PolarHBondContact O-N 3.45Å; E66-R514 IonicContact OE1-CZ 2.89Å; E66-R514 IonicContact OE1-NH2 2.77Å; E66-R514 PolarHBondContact OE1-NH2 2.95Å; E66-R514 IonicContact OE2-NH2 3.21Å
67	V	25.2	Very low	26.4	Very low	125 Å²	125	124.5 Å²	124.5	76%	0.758	73%	0.726	S	S	*	*			trans	-79	116.9	174.2	177.7	0	0	0	0	109	E69	V67-E69 PolarHBondContact O-N 3.28Å; V67-E69 VanDerWaalsContact O-N 3.13Å
68	S	27.6	Very low	26.7	Very low	77 Å²	77	124.8 Å²	124.8	54%	0.538	72%	0.722	S	S	.	*			trans	-76.4	102.1	-178.9	74.8	0	0	0	0	112.2	E66 T70	E66-S68 PolarHBondContact O-N 3.45Å; S68-T70 PolarHBondContact O-N 2.85Å
69	E	27.3	Very low	26.9	Very low	157 Å²	157	124.7 Å²	124.7	73%	0.734	72%	0.716	S	S	*	*			trans	-77	117.3	172.7	-65.3	-169	123.3	0	0	111.3	V67	V67-E69 PolarHBondContact O-N 3.28Å; V67-E69 VanDerWaalsContact O-N 3.13Å
70	T	31.9	Very low	26.9	Very low	117 Å²	117	128.4 Å²	128.4	72%	0.718	72%	0.721	S	S	*	*			trans	-98.7	112.3	163.9	39	0	0	0	0	108.6	S68 T72	S68-T70 PolarHBondContact O-N 2.85Å; T70-T72 PolarHBondContact O-N 2.85Å; T70-T72 VanDerWaalsContact O-N 3.14Å
71	E	28.2	Very low	27	Very low	131 Å²	131	128.9 Å²	128.9	61%	0.612	72%	0.716	S	S	*	*			trans	-61.2	115.4	-178.6	-77.8	-165.9	135	0	0	112	R547	E71-R547 IonicContact OE1-NH2 3.78Å; E71-R547 PolarHBondContact OE1-NH2 3.41Å; E71-R547 IonicContact OE2-CZ 3.48Å; E71-R547 IonicContact OE2-NH1 2.78Å; E71-R547 PolarHBondContact OE2-NH1 2.96Å; E71-R547 IonicContact OE2-NH2 3.66Å; E71-R547 PolarHBondContact OE2-NH2 2.9Å
72	T	30.1	Very low	27.1	Very low	108 Å²	108	131.3 Å²	131.3	66%	0.663	72%	0.716	S	S	*	*				-165.1	115.8	122.4	10.1	0	0	0	0	113.5	T70	T70-T72 PolarHBondContact O-N 2.85Å; T70-T72 VanDerWaalsContact O-N 3.14Å
73	C	25.1	Very low	27.3	Very low	116 Å²	116	129 Å²	129	78%	0.784	72%	0.717	S	S	*	*	S	Bend	trans	59.6	83.8	155.4	-59.6	0	0	0	0	118.7
74	A	26.5	Very low	27.5	Very low	44 Å²	44	127.8 Å²	127.8	36%	0.364	72%	0.719	S	S	.	*				-175.3	122.9	113.6	0	0	0	0	0	111.8
75	S	29.2	Very low	27.8	Very low	116 Å²	116	126.7 Å²	126.7	81%	0.811	71%	0.714	S	S	*	*			trans	-122.1	128.6	153.3	46.4	0	0	0	0	107.7
76	N	30.2	Very low	27.9	Very low	142 Å²	142	124.7 Å²	124.7	76%	0.759	71%	0.707	S	S	*	*			trans	-103.4	159.9	173.6	-81.6	-10.5	0	0	0	109.1
77	L	25.9	Very low	28	Very low	166 Å²	166	128.1 Å²	128.1	87%	0.869	72%	0.716	S	S	*	*			trans	-66.2	144.2	173.4	-67	149.7	0	0	0	112.4
78	S	32.7	Very low	27.9	Very low	101 Å²	101	126.7 Å²	126.7	71%	0.706	71%	0.711	S	S	*	*			trans	-159.4	110.1	143	55.3	0	0	0	0	108.2
79	D	28.7	Very low	27.9	Very low	139 Å²	139	129.7 Å²	129.7	74%	0.743	72%	0.721	S	S	*	*				32.4	137.3	115.5	-31	-27.7	0	0	0	116.5
80	D	27.1	Very low	28	Very low	143 Å²	143	129.5 Å²	129.5	77%	0.765	72%	0.719	S	S	*	*			cis	-162.6	-167.3	8.7	-141.8	-35	0	0	0	111.7
81	F	28.4	Very low	27.6	Very low	161 Å²	161	128.8 Å²	128.8	71%	0.706	72%	0.715	S	S	*	*			trans	87.9	113.8	168.1	-70.6	-93.2	0	0	0	120.8
82	Q	26	Very low	27.5	Very low	160 Å²	160	131.7 Å²	131.7	75%	0.748	73%	0.729	S	S	*	*				40.8	131.8	122.7	-58.8	174.2	4.7	0	0	119.3
83	T	28.7	Very low	27.2	Very low	140 Å²	140	131.7 Å²	131.7	86%	0.859	73%	0.728	S	S	*	*			cis	-155	170.6	15.6	-7.7	0	0	0	0	112.2
84	A	26.6	Very low	27.1	Very low	90 Å²	90	136.6 Å²	136.6	74%	0.744	73%	0.732	S	S	*	*			trans	-90.9	-173.1	-179.6	0	0	0	0	0	112.6
85	P	31.2	Very low	27.1	Very low	93 Å²	93	139.7 Å²	139.7	60%	0.604	75%	0.746	S	S	*	*			cis	-140.1	-171.5	0.4	44.7	-26.3	0	0	0	116.9
86	E	24.9	Very low	26.8	Very low	153 Å²	153	140.2 Å²	140.2	72%	0.715	75%	0.747	S	S	*	*			trans	64.7	146.8	158.1	-72.1	135.4	-129.2	0	0	119.1
87	Y	26.8	Very low	26.7	Very low	211 Å²	211	138.3 Å²	138.3	83%	0.827	75%	0.751	S	S	*	*			cis	-124.3	170.9	24.3	-93.5	-100.5	0	0	0	115.9
88	S	23.8	Very low	26.8	Very low	95 Å²	95	137 Å²	137	66%	0.664	75%	0.749	S	S	*	*			trans	-71.1	166	174.5	53.7	0	0	0	0	112.7
89	L	27.2	Very low	26.3	Very low	141 Å²	141	141.7 Å²	141.7	74%	0.738	76%	0.757	S	S	*	*			cis	-142.4	178.6	39.1	-73.1	161.3	0	0	0	110.8
90	H	28.5	Very low	26.4	Very low	153 Å²	153	140.1 Å²	140.1	71%	0.708	76%	0.755	S	S	*	*			cis	-136.9	-126.9	8.1	-144.1	-56	0	0	0	112.2
91	T	24.6	Very low	26.3	Very low	101 Å²	101	138.3 Å²	138.3	62%	0.62	75%	0.754	S	S	*	*			trans	-154	136.4	-162.2	48.6	0	0	0	0	114.8
92	E	24.8	Very low	26	Very low	193 Å²	193	136.6 Å²	136.6	90%	0.902	76%	0.756	S	S	*	*			trans	-170.2	74	133.9	-109	-178	-152.7	0	0	107.1
93	V	23.4	Very low	25.9	Very low	108 Å²	108	136.9 Å²	136.9	66%	0.655	76%	0.762	S	S	*	*				71.1	100.4	91.8	179	0	0	0	0	114.3
94	Y	24	Very low	25.5	Very low	218 Å²	218	134.9 Å²	134.9	86%	0.855	75%	0.753	S	S	*	*				-152.8	118.4	116.4	-131.5	-88.5	0	0	0	113.7
95	V	25.4	Very low	25.3	Very low	109 Å²	109	141.1 Å²	141.1	66%	0.661	76%	0.757	S	S	*	*			trans	-1.6	124.9	167.3	-168.4	0	0	0	0	120.5
96	P	23.7	Very low	24.9	Very low	128 Å²	128	146.8 Å²	146.8	83%	0.831	77%	0.768	S	S	*	*			trans	-96.4	158.8	155.4	37.4	-31.6	0	0	0	113
97	A	28.5	Very low	24.9	Very low	102 Å²	102	145.9 Å²	145.9	84%	0.843	77%	0.773	S	S	*	*			trans	-143.3	164.5	172.3	0	0	0	0	0	112.2
98	T	27.9	Very low	24.7	Very low	137 Å²	137	142.5 Å²	142.5	84%	0.84	77%	0.769	S	S	*	*			trans	-112.1	165.9	-157.7	49.8	0	0	0	0	116.8
99	F	22	Very low	24.8	Very low	200 Å²	200	146.3 Å²	146.3	88%	0.877	78%	0.776	S	S	*	*			trans	-38.8	168.8	158.8	-76.1	-87.3	0	0	0	115.9
100	P	30.2	Very low	24.8	Very low	107 Å²	107	145 Å²	145	70%	0.695	78%	0.775	S	S	*	*			cis	-136.4	-164.6	0.1	31.4	-8.1	0	0	0	115.4
101	S	24.8	Very low	24.6	Very low	105 Å²	105	144.2 Å²	144.2	73%	0.734	78%	0.776	S	S	*	*			trans	105	106.8	145	76.2	0	0	0	0	120.8
102	T	22.5	Very low	24.6	Very low	124 Å²	124	144.1 Å²	144.1	76%	0.761	78%	0.775	S	S	*	*			trans	11.9	149.2	136.8	51.6	0	0	0	0	123.8
103	L	23.6	Very low	24.6	Very low	167 Å²	167	141.9 Å²	141.9	87%	0.874	77%	0.769	S	S	*	*			trans	86.7	151.6	171.1	-70.8	106.1	0	0	0	116.4
104	C	20.9	Very low	24.7	Very low	97 Å²	97	142.6 Å²	142.6	66%	0.655	78%	0.779	S	S	*	*			cis	177.8	156.3	-33.8	-169	0	0	0	0	106.5
105	R	23.1	Very low	24.7	Very low	222 Å²	222	143.1 Å²	143.1	84%	0.838	78%	0.781	S	S	*	*			trans	77.6	117.7	175.4	-58.3	177.5	179.9	164.3	0.1	113.6
106	Y	22.9	Very low	24.7	Very low	211 Å²	211	141.6 Å²	141.6	83%	0.827	79%	0.787	S	S	*	*				70.5	104.5	72.5	-91.4	-82.6	0	0	0	112.8
107	T	24.3	Very low	24.8	Very low	135 Å²	135	142.1 Å²	142.1	83%	0.828	78%	0.783	S	S	*	*				-169.8	155.9	96.1	19	0	0	0	0	113.2
108	N	23.5	Very low	24.7	Very low	140 Å²	140	142.5 Å²	142.5	75%	0.749	77%	0.77	S	S	*	*			trans	-65.1	153.5	175.3	-44.8	-36.6	0	0	0	112.4
109	Q	25.8	Very low	24.6	Very low	174 Å²	174	140.9 Å²	140.9	81%	0.813	76%	0.759	S	S	*	*				-176.6	123.7	121.5	-100.9	162.5	1.9	0	0	109.6
110	T	25.6	Very low	25	Very low	115 Å²	115	136.2 Å²	136.2	71%	0.706	75%	0.751	S	S	*	*				56.5	138.3	100.5	66.6	0	0	0	0	114.9
111	N	24.1	Very low	25	Very low	135 Å²	135	138.8 Å²	138.8	72%	0.722	75%	0.754	S	S	*	*			cis	-163	178.9	-4.8	-125.2	13.2	0	0	0	110.2
112	T	26.5	Very low	25.1	Very low	100 Å²	100	139.4 Å²	139.4	61%	0.613	75%	0.749	S	S	*	*			trans	39.3	113.7	149.4	55.8	0	0	0	0	120.6
113	D	22.8	Very low	25.4	Very low	146 Å²	146	139.7 Å²	139.7	78%	0.781	75%	0.746	S	S	*	*				31.8	122.4	112.1	-36.8	-47	0	0	0	119.2
114	S	26.6	Very low	25.6	Very low	122 Å²	122	137.7 Å²	137.7	85%	0.853	73%	0.733	S	S	*	*				178.2	166.3	111.3	40.9	0	0	0	0	114.1
115	Y	23.2	Very low	26	Very low	230 Å²	230	142.8 Å²	142.8	90%	0.902	74%	0.739	S	S	*	*			trans	-47	157.5	176.5	-78.4	-111.3	0	0	0	116
116	G	26.5	Very low	26.2	Very low	76 Å²	76	139.2 Å²	139.2	78%	0.784	74%	0.735	S	S	*	*			trans	167.3	59.5	169	0	0	0	0	0	118.4
117	D	26.2	Very low	26.6	Very low	140 Å²	140	132.4 Å²	132.4	75%	0.749	72%	0.723	S	S	*	*			trans	-10	152.9	157.8	-70.2	-24.9	0	0	0	123.6
118	I	25.7	Very low	27.1	Very low	109 Å²	109	134.4 Å²	134.4	56%	0.559	72%	0.723	S	S	*	*			trans	90.5	122.4	133	-83	167.2	0	0	0	122.8
119	V	26.5	Very low	27.4	Very low	103 Å²	103	136.1 Å²	136.1	62%	0.624	73%	0.726	S	S	*	*			trans	76.4	96.6	145.7	169.5	0	0	0	0	122.7
120	S	29.5	Very low	27.6	Very low	102 Å²	102	131.8 Å²	131.8	71%	0.713	72%	0.721	S	S	*	*				55.6	153.4	111.3	-43.3	0	0	0	0	126.4
121	Q	30.6	Very low	27.8	Very low	162 Å²	162	131.3 Å²	131.3	76%	0.757	72%	0.717	S	S	*	*			trans	102.2	135.8	138.9	-92.2	-172.7	27.2	0	0	122.7
122	N	27.4	Very low	28.2	Very low	118 Å²	118	134 Å²	134	63%	0.631	73%	0.725	S	S	*	*			trans	75.9	149.2	143.3	-62.8	-9	0	0	0	120.9
123	L	28.2	Very low	28.4	Very low	130 Å²	130	133.5 Å²	133.5	68%	0.681	73%	0.731	S	S	*	*			cis	-163.5	163.5	-7.5	-112.4	168	0	0	0	112.5
124	M	26.8	Very low	29.1	Very low	124 Å²	124	131.8 Å²	131.8	61%	0.611	73%	0.728	S	S	*	*			trans	65.4	162.6	153.2	-78.2	141	73.7	0	0	119.9
125	W	29.6	Very low	29.4	Very low	205 Å²	205	132.8 Å²	132.8	78%	0.777	72%	0.723	S	S	*	*			cis	-154.5	157.2	15.1	-124.6	-32.4	0	0	0	112.9
126	L	28.6	Very low	29.8	Very low	146 Å²	146	128.4 Å²	128.4	76%	0.764	72%	0.715	S	S	*	*			trans	30.2	144.4	148.8	-68.6	162.9	0	0	0	121.9
127	A	31	Very low	30	Very low	69 Å²	69	130.5 Å²	130.5	57%	0.57	71%	0.712	S	S	*	*			cis	-160.9	-149.2	-3.8	0	0	0	0	0	109.7
128	E	33.6	Very low	30.1	Very low	177 Å²	177	131 Å²	131	83%	0.827	71%	0.712	S	S	*	*			cis	-159.1	-152.4	9.2	-151.4	86.3	-99.5	0	0	110.6
129	E	31	Very low	30.3	Very low	175 Å²	175	130.4 Å²	130.4	82%	0.818	71%	0.714	S	S	*	*			trans	-83.3	-169.2	-177.3	-51.2	-166.7	108.9	0	0	115.3
130	A	29.5	Very low	30.4	Very low	84 Å²	84	133.1 Å²	133.1	69%	0.694	72%	0.72	S	S	*	*			cis	-167.6	179.5	11	0	0	0	0	0	110.3
131	V	30.5	Very low	30.3	Very low	104 Å²	104	135.9 Å²	135.9	63%	0.63	73%	0.725	S	S	*	*			cis	-175.2	157.5	-24.6	135.8	0	0	0	0	111
132	H	32.1	Very low	30.5	Very low	193 Å²	193	132.7 Å²	132.7	89%	0.894	72%	0.719	S	S	*	*			trans	80.5	154.9	164.7	-72.9	-29.5	0	0	0	124.2
133	A	30.7	Very low	30.7	Very low	89 Å²	89	135 Å²	135	74%	0.736	73%	0.726	S	S	*	*			trans	-156.4	-136.4	-175.2	0	0	0	0	0	108.5
134	P	37.6	Very low	30.9	Very low	110 Å²	110	134.5 Å²	134.5	71%	0.714	72%	0.724	S	S	*	*			cis	-134.9	-146.1	-34.4	26.7	0.5	0	0	0	113.2
135	L	31.7	Very low	31	Very low	143 Å²	143	133.8 Å²	133.8	75%	0.749	73%	0.726	S	S	*	*			trans	77.6	152.9	168.7	-80.1	66.5	0	0	0	117.8
136	D	32.9	Very low	31	Very low	138 Å²	138	130.4 Å²	130.4	74%	0.738	72%	0.724	S	S	*	*			cis	-169.5	-174.6	-18.3	-104.7	10.3	0	0	0	108.8
137	V	30.9	Very low	30.8	Very low	120 Å²	120	129.9 Å²	129.9	73%	0.727	72%	0.721	S	S	*	*			cis	-157.1	176.6	12.1	93.9	0	0	0	0	114.6
138	M	28.1	Very low	30.5	Very low	151 Å²	151	134.5 Å²	134.5	74%	0.744	73%	0.733	S	S	*	*			trans	-36.5	175	165.3	-63.5	167.3	71.7	0	0	121.4
139	T	28.7	Very low	30.1	Very low	96 Å²	96	129.7 Å²	129.7	59%	0.589	72%	0.719	S	S	*	*			cis	-168.8	164.9	-3.8	17.8	0	0	0	0	114.1
140	E	29	Very low	29.8	Very low	160 Å²	160	127.8 Å²	127.8	75%	0.748	71%	0.714	S	S	*	*			trans	57.7	126.8	146.6	-70.2	158.9	-140.5	0	0	122.3
141	L	28.1	Very low	29.7	Very low	159 Å²	159	129.7 Å²	129.7	83%	0.832	72%	0.717	S	S	*	*				64	152.4	67.6	-74.8	175.9	0	0	0	115.9
142	P	34.5	Very low	29.6	Very low	96 Å²	96	132.7 Å²	132.7	62%	0.623	72%	0.724	S	S	*	*			cis	-143.3	-167.1	-20.2	40.5	-20	0	0	0	116.4
143	Q	31.9	Very low	29.5	Very low	166 Å²	166	128.1 Å²	128.1	78%	0.776	71%	0.711	S	S	*	*			trans	94.3	144.3	140	-89.2	179.1	-50.6	0	0	126
144	D	32.6	Very low	29.3	Very low	119 Å²	119	129.8 Å²	129.8	64%	0.636	71%	0.707	S	S	*	*			trans	85.1	89.7	143.7	-67.1	6.8	0	0	0	126.3
145	T	28.4	Very low	28.9	Very low	109 Å²	109	135.3 Å²	135.3	67%	0.669	72%	0.716	S	S	*	*				67.6	124.2	119	63	0	0	0	0	125
146	N	28.7	Very low	28.6	Very low	134 Å²	134	137.5 Å²	137.5	72%	0.717	72%	0.719	S	S	*	*				86	127.7	122.6	-77.8	-23.4	0	0	0	125.2
147	L	25.5	Very low	28.3	Very low	135 Å²	135	134.6 Å²	134.6	71%	0.707	71%	0.714	S	S	*	*			trans	68.8	125.3	130.7	-71.2	166.4	0	0	0	122.1
148	M	24.8	Very low	28	Very low	166 Å²	166	136.4 Å²	136.4	82%	0.818	72%	0.72	S	S	*	*			trans	68.8	153	145.7	-64.3	-178.5	86.1	0	0	117
149	S	24.1	Very low	28.2	Very low	76 Å²	76	134.5 Å²	134.5	53%	0.531	72%	0.722	S	S	.	*			cis	-161.8	-177.5	-21.8	45.8	0	0	0	0	108.8
150	D	26.2	Very low	28	Very low	136 Å²	136	135.8 Å²	135.8	73%	0.727	73%	0.729	S	S	*	*			trans	75.4	124.4	152.3	-59.5	-49.4	0	0	0	122
151	V	26.5	Very low	28	Very low	124 Å²	124	135.9 Å²	135.9	75%	0.752	73%	0.734	S	S	*	*			trans	73.8	103.5	131.5	176	0	0	0	0	119.7
152	H	27.8	Very low	27.9	Very low	167 Å²	167	136.1 Å²	136.1	77%	0.773	73%	0.731	S	S	*	*				25	157.3	111.5	-101.1	-94.7	0	0	0	120.1
153	P	32.1	Very low	27.4	Very low	96 Å²	96	135.6 Å²	135.6	62%	0.623	73%	0.73	S	S	*	*			cis	-143.9	-178.1	11.8	43.3	-24	0	0	0	117.2
154	N	24.6	Very low	27.2	Very low	124 Å²	124	135.8 Å²	135.8	66%	0.663	73%	0.73	S	S	*	*			trans	36.9	112.8	142	-59.7	-15	0	0	0	121.4
155	Y	29.8	Very low	26.8	Very low	227 Å²	227	139 Å²	139	89%	0.89	74%	0.739	S	S	*	*				-161	107.8	124.5	-114.2	-83.9	0	0	0	107.5
156	K	25.6	Very low	26.6	Very low	188 Å²	188	144 Å²	144	82%	0.817	75%	0.747	S	S	*	*				80.7	139.8	60.9	-93.5	-159.8	170.5	-168.6	0	115.9
157	A	25.8	Very low	26.3	Very low	77 Å²	77	142.3 Å²	142.3	64%	0.636	74%	0.741	S	S	*	*			trans	87.4	107.6	158.8	0	0	0	0	0	118.9
158	D	26.3	Very low	26.2	Very low	158 Å²	158	142.1 Å²	142.1	85%	0.845	75%	0.746	S	S	*	*				56.7	114.6	120.7	-42.4	-23.9	0	0	0	120.6
159	S	31.3	Very low	26.1	Very low	112 Å²	112	141 Å²	141	78%	0.783	74%	0.742	S	S	*	*				-162.9	128.4	99.2	65.2	0	0	0	0	112.3
160	T	23.8	Very low	26.4	Very low	122 Å²	122	141.7 Å²	141.7	75%	0.748	75%	0.745	S	S	*	*			trans	-82.1	135	172.4	44.2	0	0	0	0	112.4
161	L	30.5	Very low	26.6	Very low	162 Å²	162	141.5 Å²	141.5	85%	0.848	75%	0.751	S	S	*	*			trans	-140.9	116.5	149.7	-89.5	109.9	0	0	0	105
162	E	24.4	Very low	26.6	Very low	164 Å²	164	143.5 Å²	143.5	77%	0.766	75%	0.752	S	S	*	*			cis	49.1	126.6	39.2	-64.4	-163.3	168.5	0	0	113.6
163	S	24.1	Very low	26.6	Very low	85 Å²	85	140.9 Å²	140.9	59%	0.594	75%	0.753	S	S	*	*			cis	-158.5	167.8	-14.7	64.7	0	0	0	0	108.1
164	H	29.1	Very low	26.4	Very low	171 Å²	171	144.3 Å²	144.3	79%	0.792	76%	0.76	S	S	*	*				172.1	105.7	129.6	-87.2	-48.4	0	0	0	110.4
165	F	23	Very low	26.6	Very low	185 Å²	185	145.4 Å²	145.4	81%	0.811	77%	0.765	S	S	*	*			trans	-63.3	138.1	162.1	-86.2	-118	0	0	0	110	V167	F165-V167 HydrophobicContact CD1-CG2 3.85Å; F165-V167 HydrophobicContact CE1-CG2 4.45Å
166	Y	24.3	Very low	26.6	Very low	215 Å²	215	140.1 Å²	140.1	84%	0.843	76%	0.761	S	S	*	*			trans	-122.3	85	149.1	-94.9	-79.7	0	0	0	109.3
167	V	22	Very low	26.9	Very low	99 Å²	99	134.5 Å²	134.5	60%	0.6	76%	0.756	S	S	*	*			trans	-90.5	123.6	161.8	164.9	0	0	0	0	107.5	F165 L169	F165-V167 HydrophobicContact CD1-CG2 3.85Å; F165-V167 HydrophobicContact CE1-CG2 4.45Å; V167-L169 HydrophobicContact CG1-CD1 3.83Å; V167-L169 HydrophobicContact CG1-CG 3.85Å
168	T	24	Very low	27.1	Very low	130 Å²	130	135.7 Å²	135.7	80%	0.798	77%	0.766	S	S	*	*			trans	-111	91.7	178.6	-41.7	0	0	0	0	109.8
169	L	23.2	Very low	27.4	Very low	143 Å²	143	133.1 Å²	133.1	75%	0.749	76%	0.761	S	S	*	*			trans	-108.9	170.4	168.7	-68.2	171.2	0	0	0	108.7	V167	V167-L169 HydrophobicContact CG1-CD1 3.83Å; V167-L169 HydrophobicContact CG1-CG 3.85Å
170	P	30.4	Very low	27.3	Very low	91 Å²	91	136.7 Å²	136.7	59%	0.591	77%	0.765	S	S	*	*				-126.7	175.2	-90.9	30.2	-9.5	0	0	0	113.2
171	P	30.5	Very low	27.7	Very low	132 Å²	132	135.7 Å²	135.7	86%	0.857	76%	0.761	S	S	*	*			trans	-77.2	125.4	164.6	-8.9	27	0	0	0	110.9
172	H	26.3	Very low	27.7	Very low	166 Å²	166	136.2 Å²	136.2	77%	0.769	76%	0.756	S	S	*	*			trans	-88	176.6	169.2	-95.5	-98.5	0	0	0	111.9
173	S	27.3	Very low	28	Very low	112 Å²	112	139 Å²	139	78%	0.783	76%	0.761	S	S	*	*			trans	81.1	135.7	171.9	82.8	0	0	0	0	114.9
174	E	28.4	Very low	28.2	Very low	167 Å²	167	139.1 Å²	139.1	78%	0.78	76%	0.762	S	S	*	*			cis	-140.4	151.3	8.9	-72.9	-169.9	134.6	0	0	113.6
175	I	28	Very low	28.2	Very low	147 Å²	147	137.8 Å²	137.8	75%	0.754	76%	0.76	S	S	*	*			trans	45.8	127.5	139.3	-57.7	167.2	0	0	0	118.9
176	S	31	Very low	28.4	Very low	116 Å²	116	137.7 Å²	137.7	81%	0.811	76%	0.762	S	S	*	*			cis	-165.5	164.6	-2.3	52.3	0	0	0	0	109.9
177	G	31.5	Very low	28.5	Very low	70 Å²	70	133.9 Å²	133.9	72%	0.722	76%	0.757	S	S	*	*			cis	177.4	167.3	-7.5	0	0	0	0	0	114.1
178	A	30.3	Very low	28.9	Very low	103 Å²	103	138.4 Å²	138.4	85%	0.851	77%	0.771	S	S	*	*			trans	63.8	139.2	172.9	0	0	0	0	0	119
179	S	31.8	Very low	29	Very low	104 Å²	104	136.8 Å²	136.8	73%	0.727	77%	0.765	S	S	*	*			cis	-167.9	113.8	-12.8	45.4	0	0	0	0	108.7
180	Q	30	Very low	29.1	Very low	187 Å²	187	137.2 Å²	137.2	87%	0.874	77%	0.767	S	S	*	*				78.6	151.7	90	-82.9	-157	-20	0	0	116.6
181	P	32.5	Very low	28.9	Very low	101 Å²	101	138.5 Å²	138.5	66%	0.656	77%	0.773	S	S	*	*			cis	-143.5	168.3	-38.2	39.5	-21.6	0	0	0	117.1
182	F	30	Very low	28.7	Very low	172 Å²	172	136.8 Å²	136.8	75%	0.754	76%	0.764	S	S	*	*			trans	-20.5	159.9	154.5	-80	-96.6	0	0	0	119.9
183	Y	30	Very low	28.8	Very low	223 Å²	223	135.2 Å²	135.2	88%	0.875	76%	0.761	S	S	*	*				-154.8	171.3	61	-96.6	-87.9	0	0	0	117.1
184	S	29	Very low	28.9	Very low	88 Å²	88	137.1 Å²	137.1	62%	0.615	76%	0.763	S	S	*	*			trans	-146.2	-171.5	172.9	54.7	0	0	0	0	107.8
185	L	28.3	Very low	28.8	Very low	143 Å²	143	132.9 Å²	132.9	75%	0.749	76%	0.764	S	S	*	*			cis	-169.2	148.5	18.8	-149.1	180	0	0	0	107.7
186	Q	27.6	Very low	28.8	Very low	182 Å²	182	137.7 Å²	137.7	85%	0.85	77%	0.773	S	S	*	*			trans	-177.7	167.3	140.7	-105.1	-179.1	-38.3	0	0	115.7
187	D	27.2	Very low	28.5	Very low	135 Å²	135	137.5 Å²	137.5	72%	0.722	77%	0.772	S	S	*	*			trans	-80.1	155	-165.7	-44.4	-95.3	0	0	0	115.8
188	E	29.9	Very low	28.4	Very low	194 Å²	194	142.8 Å²	142.8	91%	0.907	78%	0.777	S	S	*	*				-175.1	168	106	-102.2	-169.2	175.1	0	0	112.6
189	S	24.7	Very low	28	Very low	96 Å²	96	146.6 Å²	146.6	67%	0.671	78%	0.778	S	S	*	*			trans	-86.9	152.9	-178.5	59.7	0	0	0	0	113.6
190	I	27.2	Very low	27.8	Very low	153 Å²	153	149.4 Å²	149.4	79%	0.785	78%	0.783	S	S	*	*				-179.9	136.7	122.8	-93.8	156.2	0	0	0	113.6
191	T	25.7	Very low	27.6	Very low	118 Å²	118	147.9 Å²	147.9	72%	0.724	78%	0.775	S	S	*	*			trans	-4.4	141.2	169	66.3	0	0	0	0	124
192	S	25.6	Very low	27.2	Very low	95 Å²	95	150 Å²	150	66%	0.664	78%	0.778	S	S	*	*				102.2	147.8	126.2	78.8	0	0	0	0	122.2
193	N	28.4	Very low	27.1	Very low	133 Å²	133	148.3 Å²	148.3	71%	0.711	79%	0.786	S	S	*	*			trans	81.2	122.7	149.1	-68.2	-16.2	0	0	0	121.7
194	N	30.7	Very low	26.9	Very low	152 Å²	152	142.5 Å²	142.5	81%	0.813	77%	0.774	S	S	*	*			trans	66.8	101.7	145.3	-57	-17.9	0	0	0	117.4
195	G	26	Very low	27	Very low	79 Å²	79	145.9 Å²	145.9	81%	0.814	79%	0.785	S	S	*	*			trans	-76.5	164	167.4	0	0	0	0	0	113.1
196	R	28.2	Very low	27	Very low	247 Å²	247	142.7 Å²	142.7	93%	0.932	78%	0.775	S	S	*	*			trans	-139.6	145.5	153	-115.5	177.8	-178.9	170.6	0.2	109.6
197	S	23.4	Very low	27	Very low	113 Å²	113	141.2 Å²	141.2	79%	0.79	78%	0.778	S	S	*	*			trans	-73.8	128.3	171.9	51.3	0	0	0	0	110.4
198	E	29	Very low	27	Very low	180 Å²	180	139.8 Å²	139.8	84%	0.841	77%	0.774	S	S	*	*			trans	-141.6	124.7	161	-117.8	162.4	-135.2	0	0	109.3
199	Q	23.4	Very low	27.1	Very low	183 Å²	183	140.1 Å²	140.1	86%	0.855	78%	0.776	S	S	*	*			trans	-88	139.3	167.7	-61.6	171.8	-71	0	0	107.9
200	I	27.3	Very low	27.2	Very low	164 Å²	164	140.2 Å²	140.2	84%	0.841	77%	0.772	S	S	*	*			trans	-149	152.2	154.8	-103.7	142	0	0	0	109.2
201	H	25.1	Very low	27.3	Very low	154 Å²	154	142 Å²	142	71%	0.713	78%	0.775	S	S	*	*			trans	-92	154.3	-160.6	-105.4	-124.9	0	0	0	114.6
202	M	25	Very low	27.3	Very low	146 Å²	146	141.3 Å²	141.3	72%	0.719	78%	0.775	S	S	*	*			trans	58.9	130	142.5	-67.1	162.2	59.6	0	0	119.9	V204	M202-V204 HydrophobicContact CE-CG2 4.37Å; M202-V204 HydrophobicContact CG-CG2 4.41Å
203	C	26.8	Very low	27.4	Very low	136 Å²	136	141.4 Å²	141.4	92%	0.919	78%	0.776	S	S	*	*				-131.9	151.3	105.8	-148	0	0	0	0	109.4
204	V	26.5	Very low	27.5	Very low	102 Å²	102	143.7 Å²	143.7	62%	0.618	78%	0.782	S	S	*	*			trans	-123.5	144	-179.3	-179.7	0	0	0	0	107.1	M202	M202-V204 HydrophobicContact CE-CG2 4.37Å; M202-V204 HydrophobicContact CG-CG2 4.41Å
205	D	30.4	Very low	27.3	Very low	158 Å²	158	143.7 Å²	143.7	85%	0.845	78%	0.781	S	S	*	*			trans	-134	159	150.9	-144.2	-23.7	0	0	0	110.4
206	S	28.3	Very low	27.4	Very low	77 Å²	77	149.5 Å²	149.5	54%	0.538	79%	0.787	S	S	.	*			trans	-141.4	155.7	-139	65.7	0	0	0	0	114.6
207	T	29.2	Very low	27.3	Very low	150 Å²	150	143.1 Å²	143.1	92%	0.92	78%	0.775	S	S	*	*			trans	-152.7	136.6	147.5	-14.1	0	0	0	0	108.6
208	V	27	Very low	27.6	Very low	106 Å²	106	144.6 Å²	144.6	64%	0.642	78%	0.78	S	S	*	*			trans	-134	139.7	-161	171.2	0	0	0	0	110.4	T210	V208-T210 HydrophobicContact CG1-CG2 4.01Å
209	Q	30.6	Very low	27.5	Very low	200 Å²	200	140.5 Å²	140.5	94%	0.935	77%	0.771	S	S	*	*			trans	-154.6	152.9	140.5	-110.9	157.8	24.7	0	0	111.5
210	T	27.1	Very low	27.8	Very low	98 Å²	98	139.2 Å²	139.2	60%	0.601	77%	0.77	S	S	*	*			trans	-126.4	163.6	-154	47	0	0	0	0	113.3	V208	V208-T210 HydrophobicContact CG1-CG2 4.01Å
211	F	29.2	Very low	27.8	Very low	192 Å²	192	138.9 Å²	138.9	84%	0.842	77%	0.769	S	S	*	*				164.3	115.3	127.8	-84.5	-64.9	0	0	0	106.6
212	S	26.7	Very low	27.9	Very low	103 Å²	103	138 Å²	138	72%	0.72	77%	0.774	S	S	*	*				64.8	132.2	72.5	-153.3	0	0	0	0	112
213	S	28	Very low	27.9	Very low	97 Å²	97	141.7 Å²	141.7	68%	0.678	78%	0.78	S	S	*	*			cis	-158	-178.9	-0	22.9	0	0	0	0	107.2
214	E	30.3	Very low	27.9	Very low	181 Å²	181	141.9 Å²	141.9	85%	0.846	78%	0.777	S	S	*	*			cis	-146.8	175.5	34.2	-69.3	174.2	138	0	0	112.6
215	L	25.6	Very low	27.8	Very low	152 Å²	152	142 Å²	142	80%	0.796	78%	0.783	S	S	*	*			trans	-101.3	158.6	174.7	-88.2	66.7	0	0	0	110.4	V217	L215-V217 HydrophobicContact CD2-CG2 4.12Å
216	E	28.9	Very low	27.8	Very low	200 Å²	200	137.6 Å²	137.6	94%	0.935	77%	0.774	S	S	*	*			trans	-139.8	156.8	133.4	-139.2	169.8	-141.6	0	0	111.4
217	V	25.4	Very low	27.7	Very low	113 Å²	113	143.2 Å²	143.2	69%	0.685	79%	0.789	S	S	*	*			trans	-143.7	134.6	-166.7	174.6	0	0	0	0	109.8	L215	L215-V217 HydrophobicContact CD2-CG2 4.12Å
218	T	30.5	Very low	27.7	Very low	144 Å²	144	142.2 Å²	142.2	88%	0.883	78%	0.783	S	S	*	*			trans	-139.4	158.8	154.5	31.8	0	0	0	0	110.4
219	S	27.2	Very low	27.7	Very low	95 Å²	95	141.5 Å²	141.5	66%	0.664	78%	0.783	S	S	*	*			trans	-98.9	167	-175	54.8	0	0	0	0	112
220	D	29.8	Very low	27.4	Very low	156 Å²	156	140.6 Å²	140.6	83%	0.834	78%	0.779	S	S	*	*				-162.5	153.3	103.2	-96.8	-1.6	0	0	0	114.2
221	L	26	Very low	27.6	Very low	157 Å²	157	141.4 Å²	141.4	82%	0.822	79%	0.789	S	S	*	*			trans	-125.3	121.3	-174.3	-89.8	165.8	0	0	0	109.6
222	V	28.4	Very low	27.6	Very low	135 Å²	135	140.6 Å²	140.6	82%	0.818	79%	0.785	S	S	*	*			trans	-126.9	104.4	159.6	-177.1	0	0	0	0	109.6	V224	V222-V224 HydrophobicContact CG1-CG2 4.18Å
223	R	23.8	Very low	27.8	Very low	223 Å²	223	141.2 Å²	141.2	84%	0.842	78%	0.78	S	S	*	*			trans	-78.5	138.2	157.6	-76.3	177.2	169.9	168.2	-4.3	108.6
224	V	28.3	Very low	28	Very low	141 Å²	141	144.1 Å²	144.1	86%	0.855	79%	0.788	S	S	*	*			trans	-124.6	116.9	150.6	-178.4	0	0	0	0	108.1	V222	V222-V224 HydrophobicContact CG1-CG2 4.18Å
225	S	24.1	Very low	27.8	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	78%	0.783	S	S	*	*			trans	-129.4	102.9	174	55.7	0	0	0	0	108.5
226	G	29.1	Very low	28.1	Very low	65 Å²	65	142.7 Å²	142.7	67%	0.67	78%	0.783	S	S	*	*			trans	-138.5	120.8	165.5	0	0	0	0	0	108.8
227	F	26.3	Very low	27.9	Very low	194 Å²	194	137.2 Å²	137.2	85%	0.851	77%	0.765	S	S	*	*				81.4	133.3	62.4	-96	-79.7	0	0	0	113.6
228	T	29	Very low	27.9	Very low	130 Å²	130	141.6 Å²	141.6	80%	0.798	77%	0.77	S	S	*	*			trans	64.7	148.3	168	58.9	0	0	0	0	117.7
229	S	26.9	Very low	27.9	Very low	91 Å²	91	140.1 Å²	140.1	64%	0.636	76%	0.763	S	S	*	*			cis	-172.7	140	-25.2	49.2	0	0	0	0	110.5
230	E	25.9	Very low	27.8	Very low	181 Å²	181	141 Å²	141	85%	0.846	76%	0.76	S	S	*	*			trans	61.2	163.9	152.4	-65.3	-173.4	161.3	0	0	120.3
231	S	30.8	Very low	27.8	Very low	115 Å²	115	138.4 Å²	138.4	80%	0.804	75%	0.754	S	S	*	*			trans	67.4	145.2	171.9	77.7	0	0	0	0	117.6
232	K	28.9	Very low	27.8	Very low	175 Å²	175	135.9 Å²	135.9	76%	0.761	75%	0.749	S	S	*	*			cis	-170.4	161.5	-38	-122.7	175.4	166.9	-165.2	0	107.9
233	D	30.4	Very low	27.8	Very low	116 Å²	116	137.8 Å²	137.8	62%	0.62	75%	0.749	S	S	*	*			trans	41.2	92.2	145.6	-48.7	-26.4	0	0	0	118.3
234	N	32.2	Very low	28	Very low	158 Å²	158	132.1 Å²	132.1	85%	0.845	74%	0.744	S	S	*	*			trans	-149.6	71.6	138.1	-106.3	-43.5	0	0	0	111.2
235	I	27	Very low	27.8	Very low	146 Å²	146	130.1 Å²	130.1	75%	0.749	74%	0.735	S	S	*	*			trans	-81.2	116.6	163.3	-61.8	170.1	0	0	0	107.1	P237	I235-P237 HydrophobicContact CG2-CB 3.99Å; I235-P237 HydrophobicContact CG2-CG 4.15Å
236	I	30.4	Very low	27.8	Very low	156 Å²	156	133.4 Å²	133.4	80%	0.8	74%	0.736	S	S	*	*			trans	-109.7	109.2	158.1	-62.8	-177.6	0	0	0	106.6
237	P	26.2	Very low	27.6	Very low	85 Å²	85	139.8 Å²	139.8	55%	0.552	74%	0.742	S	S	*	*			trans	-105	155.5	-171.1	37.8	-31.3	0	0	0	113.1	I235	I235-P237 HydrophobicContact CG2-CB 3.99Å; I235-P237 HydrophobicContact CG2-CG 4.15Å
238	W	24.8	Very low	27.4	Very low	206 Å²	206	137.3 Å²	137.3	78%	0.78	74%	0.737	S	S	*	*			trans	72.7	168.7	144.3	-84.4	49.2	0	0	0	115.7	N240	W238-N240 VanDerWaalsContact CH2-ND2 3.26Å; W238-N240 WeakPolarHBondContact CH2-ND2 3.3Å; W238-N240 HydrophobicContact CZ3-CB 4.48Å; W238-N240 VanDerWaalsContact CZ3-ND2 3.3Å; W238-N240 WeakPolarHBondContact CZ3-ND2 3.26Å
239	P	30.3	Very low	27.2	Very low	113 Å²	113	135.2 Å²	135.2	73%	0.734	73%	0.728	S	S	*	*			cis	-126.1	165.6	18.9	42.5	-28.1	0	0	0	118.7
240	N	25.5	Very low	27.2	Very low	113 Å²	113	139.3 Å²	139.3	60%	0.604	74%	0.736	S	S	*	*			trans	-65.7	146.2	163.3	-58.7	-13.1	0	0	0	112	W238	W238-N240 VanDerWaalsContact CH2-ND2 3.26Å; W238-N240 WeakPolarHBondContact CH2-ND2 3.3Å; W238-N240 HydrophobicContact CZ3-CB 4.48Å; W238-N240 VanDerWaalsContact CZ3-ND2 3.3Å; W238-N240 WeakPolarHBondContact CZ3-ND2 3.26Å
241	S	29.6	Very low	27.1	Very low	102 Å²	102	139.8 Å²	139.8	71%	0.713	73%	0.732	S	S	*	*			trans	-155.5	123.7	142.2	-55.4	0	0	0	0	104.7
242	S	26.6	Very low	26.9	Very low	103 Å²	103	141.3 Å²	141.3	72%	0.72	72%	0.724	S	S	*	*				51.7	127.1	69.4	76.8	0	0	0	0	111.3
243	E	28.1	Very low	26.7	Very low	175 Å²	175	142.4 Å²	142.4	82%	0.818	73%	0.729	S	S	*	*			cis	-146.7	174.7	26.4	-63.9	173	138.5	0	0	112.8
244	S	27.3	Very low	26.4	Very low	105 Å²	105	139.8 Å²	139.8	73%	0.734	73%	0.73	S	S	*	*			trans	23.3	159.3	136	101.5	0	0	0	0	122.1
245	C	24.1	Very low	26.2	Very low	98 Å²	98	138.2 Å²	138.2	66%	0.662	73%	0.726	S	S	*	*			cis	-170.8	-179.8	-6.3	-130.1	0	0	0	0	110.9
246	F	24.8	Very low	26.4	Very low	175 Å²	175	135.5 Å²	135.5	77%	0.768	72%	0.717	S	S	*	*			trans	42	116.1	155.2	-72.1	-69	0	0	0	122.7
247	Y	24.2	Very low	26.2	Very low	199 Å²	199	133.6 Å²	133.6	78%	0.78	71%	0.709	S	S	*	*				49.4	138.7	120.1	-93.9	-96.8	0	0	0	123.4
248	N	23.3	Very low	26.3	Very low	142 Å²	142	137.7 Å²	137.7	76%	0.759	72%	0.718	S	S	*	*			trans	82.9	142.9	147.7	-81.2	-13.2	0	0	0	122.7
249	S	24	Very low	26.3	Very low	86 Å²	86	131.7 Å²	131.7	60%	0.601	71%	0.708	S	S	*	*			trans	-49.2	149.7	169.6	53.6	0	0	0	0	117
250	H	26.9	Very low	26.1	Very low	176 Å²	176	133.5 Å²	133.5	82%	0.815	71%	0.708	S	S	*	*				-173.6	122.1	123.8	-86.3	-60.8	0	0	0	107.7
251	Y	24.8	Very low	26.1	Very low	191 Å²	191	132.8 Å²	132.8	75%	0.749	70%	0.704	S	S	*	*				53.6	110.1	78.7	-103.1	-85	0	0	0	116.7
252	F	25.1	Very low	25.9	Very low	147 Å²	147	131.6 Å²	131.6	65%	0.645	70%	0.696	S	S	*	*			trans	33.2	111.7	150	-81.2	-108.8	0	0	0	120.9	E581	F252-E581 WeakPolarHBondContact CD1-OE1 3.3Å; F252-E581 WeakPolarHBondContact CE1-OE1 3.26Å
253	K	25	Very low	25.7	Very low	199 Å²	199	131.4 Å²	131.4	87%	0.865	70%	0.695	S	S	*	*				171.6	146.1	126.7	-93.7	156.2	-176.4	175.3	0	109.7
254	G	25.4	Very low	25.6	Very low	61 Å²	61	130.2 Å²	130.2	63%	0.629	69%	0.693	S	S	*	*			cis	152.4	155.3	3.7	0	0	0	0	0	112.2
255	V	27.2	Very low	25.2	Very low	125 Å²	125	131 Å²	131	76%	0.758	70%	0.697	S	S	*	*			trans	69.9	168.2	149.7	-133.6	0	0	0	0	116.5
256	P	30.4	Very low	25.2	Very low	89 Å²	89	133.6 Å²	133.6	58%	0.578	70%	0.703	S	S	*	*				-117	175.7	-79.4	38.8	-27.9	0	0	0	114.6
257	N	27.6	Very low	25.1	Very low	116 Å²	116	133.1 Å²	133.1	62%	0.62	70%	0.703	S	S	*	*				177.2	157	113.5	-93.3	-38.9	0	0	0	114.6
258	F	27.2	Very low	25.1	Very low	170 Å²	170	129.4 Å²	129.4	75%	0.746	70%	0.701	S	S	*	*			trans	35.2	125.9	153.2	-70.7	-117.6	0	0	0	118.5
259	S	24	Very low	25.1	Very low	80 Å²	80	131 Å²	131	56%	0.559	71%	0.706	S	S	*	*				64	135	54.3	89.5	0	0	0	0	112.1
260	M	26.7	Very low	25.5	Very low	152 Å²	152	135.2 Å²	135.2	75%	0.749	72%	0.716	S	S	*	*			cis	-156.7	163.5	30.5	-108.3	-172.8	176.2	0	0	110
261	N	25.6	Very low	25.6	Very low	97 Å²	97	131.6 Å²	131.6	52%	0.519	71%	0.708	S	S	.	*			trans	55.6	165.9	140.2	-59.7	21.9	0	0	0	120	M575	N261-M575 HydrophobicContact CB-CE 4.34Å; N261-M575 WeakPolarHBondContact OD1-CE 3.48Å; N261-M575 PolarHBondContact OD1-SD 2.89Å
262	S	24.7	Very low	25.6	Very low	77 Å²	77	132 Å²	132	54%	0.538	71%	0.709	S	S	.	*			cis	-166	162.5	-36.4	56.8	0	0	0	0	108.5
263	S	23.6	Very low	25.8	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	71%	0.711	S	S	*	*			trans	58.3	149.8	141.7	63.7	0	0	0	0	123
264	L	24.6	Very low	26.1	Very low	151 Å²	151	126.4 Å²	126.4	79%	0.791	70%	0.701	S	S	*	*			trans	81	123.1	148.5	-117.4	71.1	0	0	0	119.6	I266	L264-I266 HydrophobicContact CD2-CD1 4.43Å
265	C	20.7	Very low	26.2	Very low	120 Å²	120	129.3 Å²	129.3	81%	0.811	71%	0.712	S	S	*	*			trans	-68.8	148.1	148.8	-48.1	0	0	0	0	109.6
266	I	24	Very low	26.4	Very low	154 Å²	154	127 Å²	127	79%	0.79	71%	0.714	S	S	*	*			trans	-166.5	159.2	136.2	-103.9	153.4	0	0	0	109.7	L264	L264-I266 HydrophobicContact CD2-CD1 4.43Å
267	H	23.1	Very low	26.4	Very low	165 Å²	165	130.9 Å²	130.9	76%	0.764	72%	0.724	S	S	*	*			trans	-65.4	179.5	179.6	-74	-101.3	0	0	0	114.1
268	T	23.4	Very low	26.3	Very low	121 Å²	121	132 Å²	132	74%	0.742	73%	0.73	S	S	*	*			trans	86.3	139	158.7	76.3	0	0	0	0	115.9
269	M	23.8	Very low	26.4	Very low	175 Å²	175	133.6 Å²	133.6	86%	0.862	73%	0.732	S	S	*	*			cis	-156.9	166.1	-17.4	-125	168.7	172.2	0	0	109.6
270	E	31.9	Very low	26.8	Very low	174 Å²	174	135.8 Å²	135.8	81%	0.813	74%	0.742	S	S	*	*			trans	-58.5	162.6	159.4	-56.3	179.9	155	0	0	110.5
271	P	28.5	Very low	26.7	Very low	101 Å²	101	136.2 Å²	136.2	66%	0.656	75%	0.747	S	S	*	*				-149.3	135	105	30.1	-11.3	0	0	0	116.6
272	R	26.1	Very low	26.9	Very low	200 Å²	200	135.4 Å²	135.4	76%	0.755	76%	0.762	S	S	*	*				69.9	162.2	128.5	-63.6	171.3	-175.1	-117.1	7.2	117.1
273	E	28.2	Very low	26.8	Very low	148 Å²	148	141.7 Å²	141.7	69%	0.692	78%	0.78	S	S	*	*			cis	-163.4	159.3	-10.9	-108.6	156.6	-162.4	0	0	105.3
274	A	30.8	Very low	27	Very low	80 Å²	80	143.9 Å²	143.9	66%	0.661	79%	0.789	S	S	*	*			cis	-161.1	170.2	-4.8	0	0	0	0	0	110.6
275	S	28.7	Very low	27	Very low	122 Å²	122	142.1 Å²	142.1	85%	0.853	78%	0.784	S	S	*	*			trans	46.2	124.8	144.4	61.2	0	0	0	0	121.9
276	G	30.1	Very low	27.2	Very low	77 Å²	77	145.6 Å²	145.6	79%	0.794	78%	0.782	S	S	*	*			trans	173.2	71.3	165.4	0	0	0	0	0	115.9
277	E	30.7	Very low	27.4	Very low	170 Å²	170	146.3 Å²	146.3	79%	0.794	78%	0.782	S	S	*	*			trans	21.4	117.1	153	-64	171.7	174.9	0	0	119.7
278	N	26.5	Very low	27.5	Very low	140 Å²	140	141.7 Å²	141.7	75%	0.749	78%	0.779	S	S	*	*				76.8	157.2	71.3	-78.4	-32.7	0	0	0	116
279	Y	29.4	Very low	27.9	Very low	203 Å²	203	141.6 Å²	141.6	80%	0.796	78%	0.78	S	S	*	*			trans	79.4	134.5	172.1	-60.6	-82.3	0	0	0	117.6
280	V	31	Very low	28	Very low	126 Å²	126	137.7 Å²	137.7	76%	0.764	77%	0.77	S	S	*	*			cis	-158.6	161.2	-17.7	83.1	0	0	0	0	111.9
281	N	25.8	Very low	27.7	Very low	161 Å²	161	134.8 Å²	134.8	86%	0.861	77%	0.769	S	S	*	*			trans	-70.3	145.6	172.2	-70.9	-37.6	0	0	0	112.8
282	G	29	Very low	27.6	Very low	79 Å²	79	134.4 Å²	134.4	81%	0.814	77%	0.768	S	S	*	*			trans	-154.9	93.6	174.5	0	0	0	0	0	114.7
283	F	23.1	Very low	27.7	Very low	209 Å²	209	130.8 Å²	130.8	92%	0.917	76%	0.764	S	S	*	*			trans	-79.4	133.8	162.6	-80.1	-102.1	0	0	0	110.2
284	T	28.1	Very low	27.7	Very low	145 Å²	145	131 Å²	131	89%	0.89	77%	0.765	S	S	*	*			trans	-155.9	151.5	137.7	-19.6	0	0	0	0	112.1
285	V	23.5	Very low	27.7	Very low	114 Å²	114	133.2 Å²	133.2	69%	0.691	77%	0.765	S	S	*	*			trans	-93.9	150.1	172.1	168.6	0	0	0	0	108.8
286	Y	25.8	Very low	27.7	Very low	194 Å²	194	134.1 Å²	134.1	76%	0.761	76%	0.76	S	S	*	*				172.8	142.2	126.3	-96.3	-65.5	0	0	0	115.2
287	Q	29	Very low	27.5	Very low	169 Å²	169	135.8 Å²	135.8	79%	0.79	75%	0.75	S	S	*	*			trans	55.1	127.6	145.5	-81	150.2	-5.7	0	0	122.3
288	G	25.4	Very low	27.6	Very low	68 Å²	68	134.9 Å²	134.9	70%	0.701	75%	0.746	S	S	*	*			trans	-83.7	-157.1	145.3	0	0	0	0	0	111.2
289	P	31.7	Very low	27.6	Very low	118 Å²	118	133.1 Å²	133.1	77%	0.766	74%	0.741	S	S	*	*			cis	-146.4	-175.4	34.5	37.3	-14.1	0	0	0	116.8
290	S	24.9	Very low	27.4	Very low	93 Å²	93	131.8 Å²	131.8	65%	0.65	74%	0.739	S	S	*	*			trans	44.8	125.4	142.3	63.3	0	0	0	0	123.2
291	S	24.8	Very low	27.3	Very low	113 Å²	113	133 Å²	133	79%	0.79	74%	0.737	S	S	*	*			trans	65.2	151.5	142.3	67.9	0	0	0	0	118
292	S	27.3	Very low	27.5	Very low	93 Å²	93	135.3 Å²	135.3	65%	0.65	74%	0.735	S	S	*	*			cis	-166.2	160.8	34.1	55.8	0	0	0	0	114.6
293	N	27.8	Very low	27.5	Very low	124 Å²	124	137.6 Å²	137.6	66%	0.663	74%	0.735	S	S	*	*			trans	86.9	136.7	135.2	-85.2	28.9	0	0	0	124.5
294	E	29.7	Very low	27.7	Very low	153 Å²	153	132.5 Å²	132.5	72%	0.715	72%	0.721	S	S	*	*			trans	79.9	135.2	141.4	-66.8	167.5	-133.5	0	0	119.4
295	L	29.7	Very low	27.7	Very low	127 Å²	127	131.5 Å²	131.5	67%	0.665	72%	0.719	S	S	*	*			cis	-159.8	155	1.6	-106.9	159.9	0	0	0	113.1
296	L	28.7	Very low	27.7	Very low	141 Å²	141	132.3 Å²	132.3	74%	0.738	72%	0.719	S	S	*	*			trans	66.2	143.5	149.3	-64.9	164.8	0	0	0	120.6
297	D	26.8	Very low	27.9	Very low	111 Å²	111	132.7 Å²	132.7	59%	0.594	73%	0.725	S	S	*	*			cis	-166.6	173.6	-19.2	-158.8	12	0	0	0	112.1
298	Q	31	Very low	27.8	Very low	152 Å²	152	133 Å²	133	71%	0.71	72%	0.724	S	S	*	*			trans	67	109	162.6	-71.4	151.9	50.3	0	0	117.6
299	T	26.6	Very low	27.9	Very low	103 Å²	103	135.4 Å²	135.4	63%	0.632	73%	0.727	S	S	*	*			cis	91.9	121.6	33.2	70.7	0	0	0	0	116
300	F	27	Very low	27.7	Very low	174 Å²	174	134.7 Å²	134.7	76%	0.763	72%	0.721	S	S	*	*			trans	172.4	96.7	132.4	-93.2	-65	0	0	0	108
301	E	27.8	Very low	28	Very low	153 Å²	153	138.6 Å²	138.6	72%	0.715	74%	0.735	S	S	*	*				72.7	110.7	99.1	-70	-176.3	175.9	0	0	114.5
302	Y	30	Very low	28	Very low	208 Å²	208	135.7 Å²	135.7	82%	0.816	72%	0.723	S	S	*	*				85.7	151.2	68.6	-85.9	-52.8	0	0	0	113.4	V304	Y302-V304 HydrophobicContact CD1-CG2 4.15Å; Y302-V304 HydrophobicContact CE1-CG2 3.9Å
303	P	29.1	Very low	28.2	Very low	127 Å²	127	139.6 Å²	139.6	83%	0.825	73%	0.731	S	S	*	*			cis	-135.4	172.5	40	41.6	-23.6	0	0	0	119
304	V	27.2	Very low	28.1	Very low	102 Å²	102	140 Å²	140	62%	0.618	73%	0.733	S	S	*	*			trans	-102.4	158.6	171.9	172.5	0	0	0	0	109.8	Y302	Y302-V304 HydrophobicContact CD1-CG2 4.15Å; Y302-V304 HydrophobicContact CE1-CG2 3.9Å
305	C	27.8	Very low	28	Very low	124 Å²	124	141.7 Å²	141.7	84%	0.838	73%	0.734	S	S	*	*			trans	-147.1	143.7	156.5	-96.1	0	0	0	0	111.1
306	D	24.5	Very low	27.9	Very low	131 Å²	131	141.9 Å²	141.9	70%	0.701	74%	0.735	S	S	*	*			trans	-80.3	177.8	-172.5	-47.3	-96.3	0	0	0	113.6
307	F	28.7	Very low	27.6	Very low	203 Å²	203	139.6 Å²	139.6	89%	0.89	73%	0.731	S	S	*	*				-161.1	146.1	72.8	-99.2	-91.5	0	0	0	114
308	F	27.3	Very low	27.7	Very low	174 Å²	174	145 Å²	145	76%	0.763	75%	0.745	S	S	*	*			trans	-97.3	158.7	163.8	-90.5	-87.2	0	0	0	110.8	T310	F308-T310 HydrophobicContact CB-CG2 4.19Å; F308-T310 HydrophobicContact CD1-CG2 3.86Å; F308-T310 HydrophobicContact CG-CG2 4.3Å
309	P	28	Very low	27.5	Very low	119 Å²	119	144.2 Å²	144.2	77%	0.773	75%	0.745	S	S	*	*				-135.9	151.6	85.2	33.4	-17.5	0	0	0	113.2
310	T	26.5	Very low	27.5	Very low	104 Å²	104	146.8 Å²	146.8	64%	0.638	75%	0.75	S	S	*	*			cis	75.4	94.3	35.8	71.1	0	0	0	0	116.9	F308	F308-T310 HydrophobicContact CB-CG2 4.19Å; F308-T310 HydrophobicContact CD1-CG2 3.86Å; F308-T310 HydrophobicContact CG-CG2 4.3Å
311	D	31.1	Very low	27.4	Very low	174 Å²	174	143.6 Å²	143.6	93%	0.93	75%	0.75	S	S	*	*			trans	-161.1	144.3	146.9	-93.2	-34.2	0	0	0	106.7
312	G	26.1	Very low	27.3	Very low	53 Å²	53	146 Å²	146	55%	0.546	76%	0.757	S	S	.	*			cis	175.9	146.8	-7.9	0	0	0	0	0	110.8
313	H	31.8	Very low	27.3	Very low	175 Å²	175	141.4 Å²	141.4	81%	0.81	75%	0.753	S	S	*	*			trans	70.5	118.5	178.5	-44.5	-73	0	0	0	115.7
314	N	25.2	Very low	27.1	Very low	133 Å²	133	139.7 Å²	139.7	71%	0.711	74%	0.744	S	S	*	*			cis	58.8	122.7	49	-65.2	-14.8	0	0	0	113.2
315	Y	26.4	Very low	27	Very low	188 Å²	188	144.4 Å²	144.4	74%	0.737	75%	0.752	S	S	*	*				-167.7	156.9	64.9	-98.7	-74.7	0	0	0	114.7
316	N	27.4	Very low	26.9	Very low	130 Å²	130	148.8 Å²	148.8	70%	0.695	75%	0.753	S	S	*	*			trans	55.7	120.2	150.9	-62.7	-21	0	0	0	119.6
317	S	24.5	Very low	26.9	Very low	93 Å²	93	148.9 Å²	148.9	65%	0.65	75%	0.753	S	S	*	*			cis	90.1	156.9	46.4	79.7	0	0	0	0	114.5
318	Y	28	Very low	26.7	Very low	226 Å²	226	144 Å²	144	89%	0.886	74%	0.744	S	S	*	*			trans	80.9	98.4	-154.6	-63.5	-73.7	0	0	0	113.8
319	D	26.6	Very low	26.6	Very low	134 Å²	134	145.8 Å²	145.8	72%	0.717	75%	0.752	S	S	*	*			cis	100.1	144.3	20.9	-158.3	17.5	0	0	0	115.6
320	H	26	Very low	26.4	Very low	157 Å²	157	144.5 Å²	144.5	73%	0.727	75%	0.746	S	S	*	*			trans	71.9	108.7	169.3	-74.7	16.2	0	0	0	121.1
321	S	26.4	Very low	26.4	Very low	108 Å²	108	148.5 Å²	148.5	76%	0.755	76%	0.758	S	S	*	*			trans	87.5	100	134.2	75.6	0	0	0	0	121.8
322	K	25.8	Very low	26.1	Very low	202 Å²	202	143.6 Å²	143.6	88%	0.878	75%	0.748	S	S	*	*				-179.1	155.2	101.5	-94.3	164.3	-174.9	174.9	0	113
323	P	28.2	Very low	26.1	Very low	112 Å²	112	151.5 Å²	151.5	73%	0.727	77%	0.768	S	S	*	*			trans	-107.9	-171.8	-179.3	42.2	-35.9	0	0	0	113.8
324	S	25.4	Very low	25.6	Very low	91 Å²	91	148.3 Å²	148.3	64%	0.636	77%	0.765	S	S	*	*			trans	70.6	152.2	169.9	62.9	0	0	0	0	116
325	Y	25.8	Very low	25.7	Very low	201 Å²	201	147.5 Å²	147.5	79%	0.788	77%	0.77	S	S	*	*			cis	-137.1	143.2	25.5	-87.9	-96.2	0	0	0	115.8
326	Y	25	Very low	25.6	Very low	216 Å²	216	143.1 Å²	143.1	85%	0.847	77%	0.773	S	S	*	*			trans	-85	133.3	134	-125	-97.8	0	0	0	106.5
327	N	24.1	Very low	25.5	Very low	133 Å²	133	143.9 Å²	143.9	71%	0.711	78%	0.782	S	S	*	*			trans	171.5	156.2	140.4	-92.1	-14.9	0	0	0	114.8
328	S	25	Very low	25.6	Very low	100 Å²	100	145.5 Å²	145.5	70%	0.699	79%	0.788	S	S	*	*			trans	-52.9	146.7	166.4	51.6	0	0	0	0	114.8
329	F	26.1	Very low	25.3	Very low	212 Å²	212	144.8 Å²	144.8	93%	0.93	79%	0.785	S	S	*	*			trans	-133.4	116.9	151.2	-106.4	-82.3	0	0	0	111.5
330	S	23.5	Very low	25.4	Very low	93 Å²	93	143.8 Å²	143.8	65%	0.65	79%	0.786	S	S	*	*			trans	-92.1	170.6	160.7	50.4	0	0	0	0	110
331	E	25.9	Very low	25.4	Very low	187 Å²	187	142.5 Å²	142.5	87%	0.874	78%	0.784	S	S	*	*			trans	66.4	87.9	165.2	-51.2	-160.9	146.4	0	0	117.7
332	G	24.1	Very low	25.4	Very low	71 Å²	71	149.9 Å²	149.9	73%	0.732	80%	0.796	S	S	*	*				54.4	126.7	110.3	0	0	0	0	0	121.2
333	F	26	Very low	25.4	Very low	219 Å²	219	147.2 Å²	147.2	96%	0.961	79%	0.791	S	S	*	*			trans	-131.3	154.1	142.5	-106.6	-81.3	0	0	0	110.9
334	S	23.2	Very low	25.6	Very low	109 Å²	109	145.9 Å²	145.9	76%	0.762	78%	0.782	S	S	*	*			trans	-118.9	134.1	-166	57.4	0	0	0	0	113.6
335	S	27.2	Very low	25.7	Very low	115 Å²	115	146.9 Å²	146.9	80%	0.804	78%	0.78	S	S	*	*			trans	-163.6	101.9	158.1	52.7	0	0	0	0	107.1
336	A	23.4	Very low	25.7	Very low	96 Å²	96	142.6 Å²	142.6	79%	0.793	78%	0.78	S	S	*	*			cis	77.3	73.2	48.6	0	0	0	0	0	113.8
337	V	25.1	Very low	25.8	Very low	147 Å²	147	139.3 Å²	139.3	89%	0.891	77%	0.767	S	S	*	*			trans	-134.7	151.5	151	-176.3	0	0	0	0	107.2
338	V	26.2	Very low	25.8	Very low	127 Å²	127	140.5 Å²	140.5	77%	0.77	77%	0.768	S	S	*	*			trans	-114.7	158.6	-169.1	177.2	0	0	0	0	111.2
339	Y	22.6	Very low	25.9	Very low	211 Å²	211	139.6 Å²	139.6	83%	0.827	76%	0.762	S	S	*	*			trans	-32.1	158.8	158.3	-70.7	-84.3	0	0	0	115
340	P	29	Very low	25.9	Very low	113 Å²	113	137 Å²	137	73%	0.734	75%	0.753	S	S	*	*			cis	-146.7	-162.1	38.3	44.5	-23.7	0	0	0	117.1
341	D	25.2	Very low	26	Very low	130 Å²	130	138.5 Å²	138.5	70%	0.695	75%	0.749	S	S	*	*			trans	-63.4	144.1	-178.2	-41.3	-99.8	0	0	0	115.1
342	W	25.9	Very low	26.1	Very low	263 Å²	263	136.3 Å²	136.3	100%	0.996	74%	0.739	S	S	*	*				176.4	164.8	114.1	-92.1	-9.5	0	0	0	113.8
343	D	27.6	Very low	26.2	Very low	146 Å²	146	139.3 Å²	139.3	78%	0.781	74%	0.738	S	S	*	*			trans	-117.4	170	180	-168.7	47	0	0	0	107.7
344	P	32.1	Very low	26	Very low	83 Å²	83	132.8 Å²	132.8	54%	0.539	72%	0.719	S	S	.	*			cis	-125.2	-167.1	-20.5	16.4	9.5	0	0	0	112.5
345	N	26.1	Very low	26.1	Very low	112 Å²	112	137.7 Å²	137.7	60%	0.599	72%	0.722	S	S	*	*			trans	99.1	157.1	145.6	-62.2	-45.4	0	0	0	121.8	T734	N345-T734 WeakPolarHBondContact OD1-CG2 3.43Å
346	S	27.6	Very low	26	Very low	112 Å²	112	136.1 Å²	136.1	78%	0.783	71%	0.711	S	S	*	*			trans	62.9	114.7	-176.9	47.2	0	0	0	0	116.2
347	Y	25.6	Very low	26	Very low	147 Å²	147	140.2 Å²	140.2	58%	0.576	71%	0.714	S	S	*	*				91.2	119.5	50.2	-104.5	-116	0	0	0	113.3
348	E	25.3	Very low	26	Very low	157 Å²	157	137.5 Å²	137.5	73%	0.734	70%	0.701	S	S	*	*			trans	55.6	150.9	141.8	-70.1	-178.8	168.6	0	0	120
349	S	25.7	Very low	25.9	Very low	82 Å²	82	138.2 Å²	138.2	57%	0.573	70%	0.699	S	S	*	*			cis	-175.5	176.3	-23.8	55.1	0	0	0	0	107.1
350	E	26.4	Very low	25.9	Very low	156 Å²	156	136.8 Å²	136.8	73%	0.729	70%	0.698	S	S	*	*			trans	68.6	151.8	156.4	-64.1	-169.1	155.1	0	0	116.4
351	Q	26	Very low	25.6	Very low	125 Å²	125	138.5 Å²	138.5	58%	0.584	70%	0.699	S	S	*	*			cis	-158.3	162.8	-10.6	-123.5	167.2	20.2	0	0	111.7
352	H	26.9	Very low	25.5	Very low	142 Å²	142	138.1 Å²	138.1	66%	0.657	71%	0.707	S	S	*	*			trans	74.8	149.5	140.4	-80.6	-51.4	0	0	0	123.5
353	D	26.5	Very low	25.5	Very low	133 Å²	133	129.4 Å²	129.4	71%	0.711	70%	0.698	S	S	*	*			trans	76	139.4	143.3	-69.4	5.8	0	0	0	122.3
354	C	23.3	Very low	25.6	Very low	82 Å²	82	132.4 Å²	132.4	55%	0.554	71%	0.705	S	S	*	*			cis	-169.4	149	-28.4	-133.8	0	0	0	0	111.2
355	Y	24.6	Very low	25.5	Very low	213 Å²	213	133.3 Å²	133.3	84%	0.835	71%	0.711	S	S	*	*			trans	59.6	167.2	162	-71.1	-64.8	0	0	0	115.7
356	S	24.3	Very low	25.6	Very low	81 Å²	81	133 Å²	133	57%	0.566	71%	0.71	S	S	*	*			cis	-161.4	147.1	-16.4	38.3	0	0	0	0	108.1
357	E	24.5	Very low	25.6	Very low	182 Å²	182	133.2 Å²	133.2	85%	0.85	71%	0.711	S	S	*	*			trans	63.3	151.1	147.5	-73.5	160	-140	0	0	118.5
358	S	25.3	Very low	25.7	Very low	90 Å²	90	132 Å²	132	63%	0.629	72%	0.718	S	S	*	*			cis	-164.4	136.4	-10.2	51.3	0	0	0	0	111.8
359	I	22.4	Very low	25.8	Very low	143 Å²	143	129.9 Å²	129.9	73%	0.733	72%	0.716	S	S	*	*				65.2	140.8	129	-62.5	172.5	0	0	0	121.3
360	F	23.2	Very low	26	Very low	181 Å²	181	133.7 Å²	133.7	79%	0.794	73%	0.725	S	S	*	*			trans	72.6	87.1	163.8	-72.8	-48.7	0	0	0	122.7
361	I	23.1	Very low	26.4	Very low	148 Å²	148	132.4 Å²	132.4	76%	0.759	72%	0.723	S	S	*	*				27.1	114.6	113.1	-47.2	172.5	0	0	0	118.1
362	S	23.2	Very low	26.5	Very low	122 Å²	122	132.5 Å²	132.5	85%	0.853	73%	0.728	S	S	*	*				166	156.6	116.5	49.9	0	0	0	0	113
363	G	25.1	Very low	26.7	Very low	80 Å²	80	130.3 Å²	130.3	83%	0.825	73%	0.734	S	S	*	*			trans	103.2	105.6	163.1	0	0	0	0	0	118
364	F	29.9	Very low	26.7	Very low	209 Å²	209	135 Å²	135	92%	0.917	74%	0.743	S	S	*	*			trans	-93.5	154.9	155.7	-92.5	-83.5	0	0	0	108.9
365	P	30.6	Very low	26.9	Very low	103 Å²	103	136.8 Å²	136.8	67%	0.669	75%	0.751	S	S	*	*				-150.8	162.7	89.6	38.2	-18.8	0	0	0	118.1
366	D	27.2	Very low	26.9	Very low	106 Å²	106	131.2 Å²	131.2	57%	0.567	74%	0.744	S	S	*	*			trans	42.7	121.4	146.4	-52.8	-9.4	0	0	0	123.2	N419	D366-N419 PolarHBondContact OD1-ND2 3Å; D366-N419 PolarHBondContact OD2-ND2 3.05Å
367	S	28.2	Very low	27	Very low	115 Å²	115	132 Å²	132	80%	0.804	75%	0.745	S	S	*	*				176.3	131.7	110.9	40.1	0	0	0	0	117
368	V	27	Very low	27.1	Very low	122 Å²	122	133.6 Å²	133.6	74%	0.739	75%	0.745	S	S	*	*			trans	72.9	101.8	133.4	176.1	0	0	0	0	122.6
369	T	29.4	Very low	27.2	Very low	113 Å²	113	136.3 Å²	136.3	69%	0.693	75%	0.752	S	S	*	*			trans	59.6	155.2	138.6	64.2	0	0	0	0	122.2
370	Q	29.6	Very low	27.4	Very low	161 Å²	161	136.5 Å²	136.5	75%	0.752	75%	0.753	S	S	*	*			cis	-161.1	145.7	-12.3	-118.3	168.7	-50.7	0	0	109.1
371	D	34.6	Very low	27.5	Very low	130 Å²	130	133.9 Å²	133.9	70%	0.695	75%	0.754	S	S	*	*				171.7	127.7	113.4	-105.8	-14.1	0	0	0	116.1
372	N	27.9	Very low	27.7	Very low	127 Å²	127	132.6 Å²	132.6	68%	0.679	75%	0.748	S	S	*	*			trans	36.3	102.5	144	-53.3	-37.6	0	0	0	121.8
373	A	31.1	Very low	27.9	Very low	95 Å²	95	134.2 Å²	134.2	79%	0.785	74%	0.742	S	S	*	*			trans	-128.2	115	149.5	0	0	0	0	0	109.7	V375	A373-V375 PolarHBondContact O-N 3.16Å
374	Y	27.1	Very low	28	Very low	232 Å²	232	136.8 Å²	136.8	91%	0.91	74%	0.737	S	S	*	*			trans	-71.4	111.2	-176.2	-90.4	-95.9	0	0	0	112.2
375	V	26	Very low	27.8	Very low	119 Å²	119	131.9 Å²	131.9	72%	0.721	73%	0.728	S	S	*	*			trans	-99.7	109.7	165.8	-178.1	0	0	0	0	108.4	A373 T377	A373-V375 PolarHBondContact O-N 3.16Å; V375-T377 VanDerWaalsContact C-N 3.26Å; V375-T377 PolarHBondContact O-N 3.2Å
376	S	26	Very low	27.9	Very low	96 Å²	96	134.2 Å²	134.2	67%	0.671	74%	0.735	S	S	*	*			trans	-77.2	74.3	176.7	60.6	0	0	0	0	111.2	Y378	S376-Y378 PolarHBondContact O-N 3.35Å; S376-Y378 VanDerWaalsContact O-N 3.08Å
377	T	26	Very low	27.9	Very low	99 Å²	99	133.3 Å²	133.3	61%	0.607	74%	0.737	S	S	*	*			trans	-73.4	93.4	176.6	-50.5	0	0	0	0	110.3	V375 L379	V375-T377 VanDerWaalsContact C-N 3.26Å; V375-T377 PolarHBondContact O-N 3.2Å; T377-L379 VanDerWaalsContact C-N 3.33Å; T377-L379 HydrophobicContact CG2-CG 4.32Å; T377-L379 PolarHBondContact O-N 2.94Å
378	Y	27.2	Very low	27.8	Very low	215 Å²	215	137.8 Å²	137.8	84%	0.843	74%	0.736	S	S	*	*			trans	-71.8	92.8	165.1	-86.3	-81.1	0	0	0	109.7	S376	S376-Y378 PolarHBondContact O-N 3.35Å; S376-Y378 VanDerWaalsContact O-N 3.08Å
379	L	26.6	Very low	27.7	Very low	147 Å²	147	139.2 Å²	139.2	77%	0.77	74%	0.739	S	S	*	*			trans	-60	133.1	168.6	-75.7	163.7	0	0	0	109.7	T377 P381	T377-L379 VanDerWaalsContact C-N 3.33Å; T377-L379 HydrophobicContact CG2-CG 4.32Å; T377-L379 PolarHBondContact O-N 2.94Å; L379-P381 VanDerWaalsContact O-CD 3.27Å; L379-P381 WeakPolarHBondContact O-CD 3.37Å
380	I	25.9	Very low	27.5	Very low	146 Å²	146	142 Å²	142	75%	0.749	74%	0.741	S	S	*	*			trans	-91.5	108.8	167.8	-55.9	173.6	0	0	0	107	N382	I380-N382 HydrophobicContact CG2-CB 4.21Å; I380-N382 PolarHBondContact O-N 3.33Å
381	P	26.3	Very low	27.3	Very low	127 Å²	127	142.8 Å²	142.8	83%	0.825	75%	0.745	S	S	*	*			trans	-72.8	107.6	166.5	30	-31.2	0	0	0	108	L379	L379-P381 VanDerWaalsContact O-CD 3.27Å; L379-P381 WeakPolarHBondContact O-CD 3.37Å
382	N	26.8	Very low	26.9	Very low	120 Å²	120	141 Å²	141	64%	0.642	74%	0.743	S	S	*	*			trans	-120	112.4	-177.6	-164.6	14.3	0	0	0	110	I380	I380-N382 HydrophobicContact CG2-CB 4.21Å; I380-N382 PolarHBondContact O-N 3.33Å
383	Q	27.9	Very low	26.8	Very low	156 Å²	156	142 Å²	142	73%	0.729	75%	0.748	S	S	*	*			trans	71.9	154.6	174	-61.2	163.9	20.3	0	0	113.9
384	N	26.9	Very low	26.6	Very low	134 Å²	134	141.5 Å²	141.5	72%	0.717	74%	0.739	S	S	*	*			cis	-155.8	173.7	25.1	-143.3	-12.3	0	0	0	115.3
385	C	26.7	Very low	26.7	Very low	106 Å²	106	140.7 Å²	140.7	72%	0.716	74%	0.736	S	S	*	*			trans	69.3	84.7	154.8	-63.6	0	0	0	0	121.2
386	D	31.4	Very low	27	Very low	152 Å²	152	139.7 Å²	139.7	81%	0.813	73%	0.731	S	S	*	*				-21.9	142.3	123.9	170.1	37.6	0	0	0	116.1
387	S	26.8	Very low	27	Very low	87 Å²	87	142.5 Å²	142.5	61%	0.608	74%	0.739	S	S	*	*				-171.8	125.6	127.4	62.8	0	0	0	0	113.9
388	R	25.8	Very low	27.2	Very low	209 Å²	209	142.8 Å²	142.8	79%	0.789	75%	0.751	S	S	*	*				153.9	118.5	114	-82.4	174.6	-160.9	-147.4	1.8	115.5
389	L	24.9	Very low	27.1	Very low	153 Å²	153	138.8 Å²	138.8	80%	0.801	75%	0.749	S	S	*	*			trans	60.8	126.6	136.5	-56.8	168.3	0	0	0	118
390	K	25.8	Very low	27.1	Very low	172 Å²	172	137.4 Å²	137.4	75%	0.748	75%	0.747	S	S	*	*			cis	-154.6	152.3	38.1	-64.2	171.4	-178.4	167.4	0	112.8
391	Q	25.8	Very low	27.1	Very low	177 Å²	177	138.9 Å²	138.9	83%	0.827	75%	0.75	S	S	*	*			trans	51.7	136.4	136.7	-69.2	164.7	-26.5	0	0	120.1
392	S	25.8	Very low	27.2	Very low	92 Å²	92	138.8 Å²	138.8	64%	0.643	75%	0.747	S	S	*	*			cis	-169.9	157.8	4.6	50.6	0	0	0	0	113.7
393	N	26.9	Very low	27.2	Very low	149 Å²	149	138.8 Å²	138.8	80%	0.797	75%	0.754	S	S	*	*			trans	74.3	148.1	154.5	-58.2	-20.3	0	0	0	120.1
394	S	26.5	Very low	27.1	Very low	84 Å²	84	140.7 Å²	140.7	59%	0.587	76%	0.76	S	S	*	*			cis	-173.1	152.5	-26.4	55.5	0	0	0	0	113.4
395	Y	28.3	Very low	27.1	Very low	215 Å²	215	139.6 Å²	139.6	84%	0.843	76%	0.762	S	S	*	*			trans	66.7	157.2	163.1	-65.8	-78	0	0	0	119.7
396	P	32.4	Very low	27	Very low	98 Å²	98	140.4 Å²	140.4	64%	0.636	76%	0.763	S	S	*	*				-145	171.7	-54.1	40.3	-22.6	0	0	0	118.6
397	D	25.9	Very low	26.7	Very low	154 Å²	154	137.1 Å²	137.1	82%	0.824	76%	0.757	S	S	*	*			trans	53.9	109.6	143.2	-62.7	-25	0	0	0	123.7
398	A	31.4	Very low	26.7	Very low	105 Å²	105	143.5 Å²	143.5	87%	0.868	77%	0.769	S	S	*	*				-154.5	124.2	124.2	0	0	0	0	0	110.9
399	T	25.3	Very low	26.6	Very low	131 Å²	131	141.4 Å²	141.4	80%	0.804	77%	0.769	S	S	*	*			trans	-79.7	167.4	-178.8	-9.4	0	0	0	0	111.7
400	V	25.4	Very low	26.6	Very low	118 Å²	118	139.2 Å²	139.2	72%	0.715	76%	0.762	S	S	*	*				-177.2	137.6	82	158.9	0	0	0	0	111.9
401	H	27.2	Very low	26.5	Very low	178 Å²	178	138.1 Å²	138.1	82%	0.824	76%	0.764	S	S	*	*			trans	45.7	125.2	159.5	-71	-52.2	0	0	0	125.2
402	V	27.2	Very low	26.5	Very low	125 Å²	125	133.5 Å²	133.5	76%	0.758	76%	0.756	S	S	*	*			trans	-111.7	146.8	144.2	-177.3	0	0	0	0	108.4
403	P	27.5	Very low	26.4	Very low	120 Å²	120	136.2 Å²	136.2	78%	0.779	76%	0.763	S	S	*	*			trans	-108.5	133.6	166.8	35.1	-26.4	0	0	0	113.7
404	F	25	Very low	26.3	Very low	195 Å²	195	134.4 Å²	134.4	86%	0.855	76%	0.762	S	S	*	*			trans	-96	159.5	167.9	-108.1	-99.5	0	0	0	111.1
405	C	26.5	Very low	26.2	Very low	112 Å²	112	138.8 Å²	138.8	76%	0.757	77%	0.771	S	S	*	*			trans	-176.1	120.1	145.8	-94.1	0	0	0	0	107.5
406	T	25.3	Very low	26	Very low	122 Å²	122	136 Å²	136	75%	0.748	77%	0.766	S	S	*	*				64.2	139	69.6	64.9	0	0	0	0	114.2
407	A	24.8	Very low	25.5	Very low	83 Å²	83	136 Å²	136	69%	0.686	77%	0.768	S	S	*	*			cis	-164.4	-165.8	-12.5	0	0	0	0	0	110
408	Y	26.9	Very low	25.5	Very low	221 Å²	221	135.6 Å²	135.6	87%	0.867	77%	0.766	S	S	*	*			trans	106.5	82.1	170.3	-67.8	-73.3	0	0	0	119.3
409	E	23.9	Very low	25.1	Very low	166 Å²	166	135.1 Å²	135.1	78%	0.776	75%	0.749	S	S	*	*				14.9	149.9	98.4	-70	174.7	-152.4	0	0	119.1
410	T	25.4	Very low	25.1	Very low	106 Å²	106	134.5 Å²	134.5	65%	0.65	75%	0.75	S	S	*	*			cis	-159	163.8	13.6	-0.7	0	0	0	0	113.8
411	N	23.7	Very low	25.1	Very low	150 Å²	150	135.2 Å²	135.2	80%	0.802	75%	0.754	S	S	*	*			trans	69.4	120.3	140.9	-72.5	-14.2	0	0	0	124.9
412	A	24.3	Very low	24.9	Very low	80 Å²	80	135 Å²	135	66%	0.661	75%	0.754	S	S	*	*				105.1	108.5	115.6	0	0	0	0	0	121.9
413	N	24.4	Very low	24.7	Very low	148 Å²	148	134.1 Å²	134.1	79%	0.791	75%	0.751	S	S	*	*			trans	79.9	125.8	131.1	-61	-7.9	0	0	0	122.1
414	S	24.7	Very low	24.6	Very low	111 Å²	111	134.2 Å²	134.2	78%	0.776	75%	0.75	S	S	*	*			trans	74.5	140.7	148.4	75.2	0	0	0	0	119
415	F	23.7	Very low	24.7	Very low	176 Å²	176	132.5 Å²	132.5	77%	0.772	75%	0.745	S	S	*	*			cis	-157.2	158.8	-9.7	-137.8	-121.7	0	0	0	109.6
416	Q	24.6	Very low	24.6	Very low	156 Å²	156	131.6 Å²	131.6	73%	0.729	75%	0.745	S	S	*	*			trans	54.2	97.7	159.7	-78.1	167.9	-23.8	0	0	121.4
417	S	23.3	Very low	24.7	Very low	98 Å²	98	134.9 Å²	134.9	69%	0.685	75%	0.749	S	S	*	*				26.1	124.9	123.2	58	0	0	0	0	121.6
418	N	24.6	Very low	24.7	Very low	147 Å²	147	139.9 Å²	139.9	79%	0.786	76%	0.759	S	S	*	*				-167.2	140.4	107.3	-97	-6.8	0	0	0	115.1
419	N	23.9	Very low	24.7	Very low	95 Å²	95	136.8 Å²	136.8	51%	0.508	76%	0.756	S	S	.	*			trans	13.1	151	164.4	-64.2	-2	0	0	0	125	D366	D366-N419 PolarHBondContact OD1-ND2 3Å; D366-N419 PolarHBondContact OD2-ND2 3.05Å
420	S	24	Very low	24.8	Very low	117 Å²	117	134.4 Å²	134.4	82%	0.818	76%	0.755	S	S	*	*			trans	79	98.7	158.8	72.9	0	0	0	0	119
421	V	25.7	Very low	24.8	Very low	133 Å²	133	134.6 Å²	134.6	81%	0.806	76%	0.761	S	S	*	*			trans	-116.8	112.2	162.5	176.5	0	0	0	0	109.1
422	Q	24.1	Very low	25	Very low	175 Å²	175	132.1 Å²	132.1	82%	0.818	76%	0.761	S	S	*	*			trans	-86.6	111.8	169.1	-71.9	-176.1	-31.1	0	0	110	T424	Q422-T424 PolarHBondContact O-N 2.78Å
423	C	23.3	Very low	25.2	Very low	105 Å²	105	133.1 Å²	133.1	71%	0.709	76%	0.759	S	S	*	*			trans	-78.1	76.5	179.3	-69.6	0	0	0	0	113.1	H425	C423-H425 VanDerWaalsContact C-N 3.33Å; C423-H425 PolarHBondContact O-N 2.84Å
424	T	24.3	Very low	25.2	Very low	122 Å²	122	133.4 Å²	133.4	75%	0.748	75%	0.753	S	S	*	*			trans	-78	72.5	174.7	56.9	0	0	0	0	112.7	Q422 A426	Q422-T424 PolarHBondContact O-N 2.78Å; T424-A426 PolarHBondContact O-N 3.36Å; T424-A426 VanDerWaalsContact O-N 3.14Å
425	H	27.6	Very low	25.2	Very low	160 Å²	160	134.2 Å²	134.2	74%	0.741	75%	0.749	S	S	*	*			trans	-83.2	81.5	174.9	-93	-74.6	0	0	0	113	C423 F427	C423-H425 VanDerWaalsContact C-N 3.33Å; C423-H425 PolarHBondContact O-N 2.84Å; H425-F427 PolarHBondContact O-N 3.41Å
426	A	24.9	Very low	25.3	Very low	93 Å²	93	131.2 Å²	131.2	77%	0.769	75%	0.745	S	S	*	*			trans	-75.8	105.1	170.8	0	0	0	0	0	111.5	T424 E428	T424-A426 PolarHBondContact O-N 3.36Å; T424-A426 VanDerWaalsContact O-N 3.14Å; A426-E428 PolarHBondContact O-N 3.04Å
427	F	26.5	Very low	25.4	Very low	190 Å²	190	131.1 Å²	131.1	83%	0.833	75%	0.749	S	S	*	*			trans	-83.4	100.2	172.5	-97	-89.7	0	0	0	111.6	H425 L429	H425-F427 PolarHBondContact O-N 3.41Å; F427-L429 PolarHBondContact O-N 3.43Å
428	E	24.9	Very low	25.5	Very low	189 Å²	189	132.9 Å²	132.9	88%	0.883	76%	0.756	S	S	*	*			trans	-68.3	115.8	171.8	-66.6	-164.6	133.4	0	0	111.7	A426	A426-E428 PolarHBondContact O-N 3.04Å
429	L	26.7	Very low	25.6	Very low	155 Å²	155	131.6 Å²	131.6	81%	0.812	75%	0.749	S	S	*	*			trans	-83.7	124	170.7	-83	169.6	0	0	0	111.4	F427 S431	F427-L429 PolarHBondContact O-N 3.43Å; L429-S431 PolarHBondContact O-N 2.71Å
430	P	27	Very low	25.8	Very low	116 Å²	116	133.4 Å²	133.4	75%	0.753	76%	0.755	S	S	*	*			trans	-74.4	128.2	-171	27.7	-34.7	0	0	0	113.4	A432	P430-A432 PolarHBondContact O-N 3.15Å
431	S	25.5	Very low	25.9	Very low	111 Å²	111	135.7 Å²	135.7	78%	0.776	75%	0.752	S	S	*	*			trans	-73.6	89.5	178.3	-71.7	0	0	0	0	113.2	L429 T433	L429-S431 PolarHBondContact O-N 2.71Å; S431-T433 PolarHBondContact O-N 3.05Å; S431-T433 VanDerWaalsContact O-N 3.07Å
432	A	26.8	Very low	25.9	Very low	97 Å²	97	135.4 Å²	135.4	80%	0.802	76%	0.756	S	S	*	*			trans	-75	88.2	176.3	0	0	0	0	0	112.8	P430	P430-A432 PolarHBondContact O-N 3.15Å
433	T	28	Very low	25.9	Very low	101 Å²	101	133.2 Å²	133.2	62%	0.62	76%	0.755	S	S	*	*			trans	-80.6	123	168.7	-34.8	0	0	0	0	110.7	S431	S431-T433 PolarHBondContact O-N 3.05Å; S431-T433 VanDerWaalsContact O-N 3.07Å
434	F	24.4	Very low	26	Very low	154 Å²	154	139.5 Å²	139.5	68%	0.675	76%	0.764	S	S	*	*			trans	-66.3	140.1	168.4	-80.2	-103.6	0	0	0	111.7	Y20	Y20-F434 HydrophobicContact CE2-CZ 4.4Å
435	L	26.5	Very low	25.9	Very low	129 Å²	129	141.6 Å²	141.6	68%	0.675	77%	0.771	S	S	*	*			trans	-178.7	94	152.6	-95.9	169.5	0	0	0	104.2
436	T	24	Very low	25.8	Very low	113 Å²	113	140.8 Å²	140.8	69%	0.693	78%	0.776	S	S	*	*				40.8	100.7	87.9	68.2	0	0	0	0	113.3
437	D	26.6	Very low	25.7	Very low	153 Å²	153	141.2 Å²	141.2	82%	0.818	77%	0.774	S	S	*	*			trans	-121.7	116.4	165	-130.9	-12.5	0	0	0	107.2
438	T	25.2	Very low	25.6	Very low	136 Å²	136	137.3 Å²	137.3	83%	0.834	77%	0.77	S	S	*	*			trans	-142.1	74.3	174.9	51.2	0	0	0	0	109.4
439	D	28.4	Very low	25.6	Very low	120 Å²	120	134.1 Å²	134.1	64%	0.642	76%	0.763	S	S	*	*			trans	-108.6	148.5	161.8	-96.7	-10.4	0	0	0	107.7
440	Q	27.4	Very low	25.6	Very low	133 Å²	133	137 Å²	137	62%	0.621	77%	0.765	S	S	*	*			cis	-164.7	164.2	-22.1	-136.8	-177	83.8	0	0	107.3
441	Q	25.9	Very low	25.4	Very low	164 Å²	164	137.5 Å²	137.5	77%	0.766	77%	0.766	S	S	*	*			trans	55.6	116.9	159.5	-57.1	171.2	29.7	0	0	119.4
442	S	26.1	Very low	25.5	Very low	127 Å²	127	138.2 Å²	138.2	89%	0.888	77%	0.768	S	S	*	*				-166.1	145.8	115	37.6	0	0	0	0	111.6
443	T	23.6	Very low	25.3	Very low	129 Å²	129	137.8 Å²	137.8	79%	0.791	76%	0.764	S	S	*	*			trans	-85.3	137.5	180	51.5	0	0	0	0	111.9
444	R	25	Very low	25.2	Very low	237 Å²	237	139.3 Å²	139.3	89%	0.894	77%	0.773	S	S	*	*			trans	-175.8	146.5	136.1	-101.7	152.9	-167.3	-163.5	2.4	112.3
445	N	23.3	Very low	25.2	Very low	167 Å²	167	137.4 Å²	137.4	89%	0.893	77%	0.774	S	S	*	*			trans	-78.5	129.5	173.6	-56.4	-16.8	0	0	0	110
446	V	26	Very low	25.1	Very low	142 Å²	142	141.4 Å²	141.4	86%	0.861	78%	0.782	S	S	*	*			trans	-144.2	141	151.5	-171	0	0	0	0	107.8
447	S	22.9	Very low	25.3	Very low	103 Å²	103	141.6 Å²	141.6	72%	0.72	79%	0.785	S	S	*	*			trans	-97.8	-171.9	-179.1	51.8	0	0	0	0	112.2
448	S	24.4	Very low	25.3	Very low	107 Å²	107	139.6 Å²	139.6	75%	0.748	78%	0.781	S	S	*	*			trans	75.1	116.1	-176.5	75.9	0	0	0	0	114.1
449	V	24.2	Very low	25.6	Very low	123 Å²	123	138.9 Å²	138.9	75%	0.745	78%	0.782	S	S	*	*				81	111.7	64.5	169.4	0	0	0	0	112
450	Y	25.9	Very low	25.5	Very low	216 Å²	216	140.2 Å²	140.2	85%	0.847	79%	0.789	S	S	*	*				-170.1	134.5	121.1	-114.1	-74.7	0	0	0	112.5
451	T	23.5	Very low	25.6	Very low	126 Å²	126	140 Å²	140	77%	0.773	80%	0.797	S	S	*	*			trans	-135	153.3	161	46.6	0	0	0	0	107.5
452	P	27.5	Very low	25.8	Very low	125 Å²	125	142 Å²	142	81%	0.812	80%	0.803	S	S	*	*			trans	-131.2	153.3	134	35	-25.5	0	0	0	112.5
453	A	23.2	Very low	25.8	Very low	88 Å²	88	141.1 Å²	141.1	73%	0.727	80%	0.797	S	S	*	*			trans	-117.3	171.8	168.5	0	0	0	0	0	109.1
454	V	25.8	Very low	26	Very low	134 Å²	134	144.5 Å²	144.5	81%	0.812	80%	0.804	S	S	*	*			trans	-129.5	134.3	165.5	-179.2	0	0	0	0	108
455	V	24	Very low	26.1	Very low	114 Å²	114	137.9 Å²	137.9	69%	0.691	79%	0.794	S	S	*	*			trans	-144.2	146.3	-178.9	175.1	0	0	0	0	107.2
456	Y	25.1	Very low	26.3	Very low	213 Å²	213	137.4 Å²	137.4	84%	0.835	79%	0.791	S	S	*	*			trans	-139.9	155.7	162.2	-84.1	-62.9	0	0	0	109.3
457	P	27.4	Very low	26.5	Very low	117 Å²	117	136.2 Å²	136.2	76%	0.76	79%	0.786	S	S	*	*				-128.7	-171	-129.4	31.1	-8.9	0	0	0	114.8
458	C	25.5	Very low	26.6	Very low	110 Å²	110	137.7 Å²	137.7	74%	0.743	79%	0.786	S	S	*	*			trans	-118.9	161.5	-178.2	-179.2	0	0	0	0	111
459	S	31.9	Very low	26.7	Very low	121 Å²	121	139.1 Å²	139.1	85%	0.846	79%	0.785	S	S	*	*			trans	-140.3	125.3	172.1	-67.4	0	0	0	0	111
460	N	27.9	Very low	26.8	Very low	148 Å²	148	139.2 Å²	139.2	79%	0.791	79%	0.786	S	S	*	*			trans	-94.7	163.3	174.5	-74.9	-35.2	0	0	0	111.1
461	T	28.5	Very low	26.9	Very low	130 Å²	130	137.8 Å²	137.8	80%	0.798	79%	0.787	S	S	*	*			trans	-155.8	127	140.8	12.9	0	0	0	0	115.2
462	K	29.1	Very low	27	Very low	205 Å²	205	142.1 Å²	142.1	89%	0.891	79%	0.791	S	S	*	*			trans	73.5	160.4	147.4	-67.8	-175.9	176.7	-173	0	120.9
463	S	26.3	Very low	27.1	Very low	109 Å²	109	141.2 Å²	141.2	76%	0.762	79%	0.787	S	S	*	*			trans	-151.5	146.6	-165.9	54	0	0	0	0	109.5
464	E	29.1	Very low	27.4	Very low	199 Å²	199	142.2 Å²	142.2	93%	0.93	79%	0.789	S	S	*	*			trans	-153.3	175.1	162.8	-114.5	156.6	-135.7	0	0	109.9
465	S	26.8	Very low	27.5	Very low	98 Å²	98	142.6 Å²	142.6	69%	0.685	79%	0.791	S	S	*	*			trans	-143.9	144.1	-137.3	58.8	0	0	0	0	118.8
466	L	27.4	Very low	27.8	Very low	157 Å²	157	140.6 Å²	140.6	82%	0.822	79%	0.794	S	S	*	*			trans	66.3	170.3	150	-71.8	165.5	0	0	0	117.7
467	P	30.7	Very low	27.9	Very low	117 Å²	117	138.3 Å²	138.3	76%	0.76	80%	0.796	S	S	*	*			cis	-126.4	-172.4	-8.2	33.4	-12.6	0	0	0	115.4
468	N	25.4	Very low	28	Very low	134 Å²	134	139.5 Å²	139.5	72%	0.717	80%	0.801	S	S	*	*			trans	-78.4	158.5	177.4	-49.2	-33.8	0	0	0	114.5
469	N	26.2	Very low	28	Very low	138 Å²	138	138.4 Å²	138.4	74%	0.738	79%	0.792	S	S	*	*				166.2	141.8	108.2	-89.8	-18.2	0	0	0	115.1
470	T	26.2	Very low	27.6	Very low	125 Å²	125	135.9 Å²	135.9	77%	0.767	78%	0.779	S	S	*	*			trans	58.6	156.9	151.4	48.7	0	0	0	0	119.1
471	E	28.4	Very low	27.7	Very low	186 Å²	186	135.9 Å²	135.9	87%	0.869	77%	0.772	S	S	*	*			cis	-142.5	-160.4	11.7	-146.7	154.7	-131.9	0	0	113
472	Y	24.9	Very low	27.5	Very low	217 Å²	217	136 Å²	136	85%	0.851	78%	0.776	S	S	*	*			trans	-125.2	176.5	-158.7	-137	-102.2	0	0	0	114.2
473	S	28.5	Very low	27.3	Very low	106 Å²	106	132.5 Å²	132.5	74%	0.741	77%	0.772	S	S	*	*			trans	84.6	152.4	170	-36.7	0	0	0	0	115.6
474	S	30.8	Very low	27.3	Very low	109 Å²	109	132.2 Å²	132.2	76%	0.762	77%	0.768	S	S	*	*			cis	179.4	160.2	-16	49.4	0	0	0	0	109.2
475	V	28	Very low	27.2	Very low	141 Å²	141	128.7 Å²	128.7	86%	0.855	76%	0.759	S	S	*	*			cis	-167.2	150.7	-16.8	137.9	0	0	0	0	106.1
476	G	29.8	Very low	27.2	Very low	73 Å²	73	130.7 Å²	130.7	75%	0.753	76%	0.761	S	S	*	*			trans	-173.7	137.2	172.1	0	0	0	0	0	114.2
477	N	27.7	Very low	27.2	Very low	164 Å²	164	128 Å²	128	88%	0.877	75%	0.753	S	S	*	*			trans	-96.4	146.7	-171.2	-65	-40.4	0	0	0	114.1
478	V	28.2	Very low	27.1	Very low	142 Å²	142	127.3 Å²	127.3	86%	0.861	75%	0.748	S	S	*	*			trans	-167.5	149.7	142.7	131.9	0	0	0	0	107.8
479	P	26.1	Very low	27.2	Very low	87 Å²	87	128.5 Å²	128.5	57%	0.565	75%	0.753	S	S	*	*			trans	-88.7	-169	-153.3	36.4	-39.6	0	0	0	116.8	N1338	P479-N1338 VanDerWaalsContact CB-OD1 3.31Å; P479-N1338 WeakPolarHBondContact CB-OD1 3.04Å; P479-N1338 WeakPolarHBondContact CG-OD1 3.37Å
480	A	24.5	Very low	27.5	Very low	68 Å²	68	127.8 Å²	127.8	56%	0.562	75%	0.748	S	S	*	*			trans	-99.8	127.2	-134	0	0	0	0	0	117.2	N1338	A480-N1338 VanDerWaalsContact N-CG 3.34Å; A480-N1338 PolarHBondContact N-ND2 2.77Å; A480-N1338 VanDerWaalsContact N-ND2 3.19Å; A480-N1338 VanDerWaalsContact O-CB 3.31Å; A480-N1338 WeakPolarHBondContact O-CB 3.4Å; A480-N1338 PolarHBondContact O-ND2 2.88Å
481	K	29.5	Very low	27.7	Very low	148 Å²	148	126.5 Å²	126.5	64%	0.643	74%	0.744	S	S	*	*	S	Bend	trans	-125.8	141.4	155.6	-77.4	172.1	176.8	142.9	0	110.2	V483 N1338	K481-V483 PolarHBondContact O-N 2.92Å; K481-N1338 WeakPolarHBondContact CE-O 3.12Å; K481-N1338 PolarHBondContact NZ-O 2.94Å
482	C	24.2	Very low	27.7	Very low	132 Å²	132	126.3 Å²	126.3	89%	0.892	74%	0.743	S	S	*	*			trans	21.7	88.7	166.2	-60.6	0	0	0	0	118.7
483	V	25.4	Very low	28.1	Very low	133 Å²	133	123.3 Å²	123.3	81%	0.806	74%	0.742	S	S	*	*			trans	-70.6	130.6	169.4	-178.7	0	0	0	0	110.7	K481	K481-V483 PolarHBondContact O-N 2.92Å
484	P	25.7	Very low	28.1	Very low	103 Å²	103	124.9 Å²	124.9	67%	0.669	74%	0.742	S	S	*	*			trans	-74.5	135.6	174.9	30.1	-34.1	0	0	0	111.7	I486	P484-I486 PolarHBondContact O-N 3.18Å
485	V	25.9	Very low	28.2	Very low	124 Å²	124	127.5 Å²	127.5	75%	0.752	75%	0.747	S	S	*	*			trans	-80.4	101.3	176.2	-179.3	0	0	0	0	109.7
486	I	27.3	Very low	28.3	Very low	140 Å²	140	127 Å²	127	72%	0.718	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-65.4	130.5	169.7	-58.6	173.2	0	0	0	108.4	P484	P484-I486 PolarHBondContact O-N 3.18Å
487	P	28.9	Very low	28.5	Very low	102 Å²	102	130.2 Å²	130.2	66%	0.662	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-60	138.1	174.5	-23.1	33.9	0	0	0	111.5	I489	P487-I489 PolarHBondContact O-N 2.86Å
488	P	28.2	Very low	28.6	Very low	101 Å²	101	127.3 Å²	127.3	66%	0.656	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-64.3	123.9	178.4	25.9	-33.4	0	0	0	110.5	I490	P488-I490 PolarHBondContact O-N 2.87Å; P488-I490 VanDerWaalsContact O-N 3.16Å
489	I	27.1	Very low	29.1	Very low	160 Å²	160	130.2 Å²	130.2	82%	0.821	74%	0.743	S	S	*	*			trans	-67.7	111.3	177.5	-58.3	172.1	0	0	0	108.4	P487	P487-I489 PolarHBondContact O-N 2.86Å
490	I	31.6	Very low	29.7	Very low	123 Å²	123	135.8 Å²	135.8	63%	0.631	76%	0.758	S	S	*	*			trans	-96.7	103.3	171.2	-59.4	177.9	0	0	0	107.1	P488 E492	P488-I490 PolarHBondContact O-N 2.87Å; P488-I490 VanDerWaalsContact O-N 3.16Å; I490-E492 PolarHBondContact O-N 2.86Å
491	S	30.9	Very low	30.4	Very low	97 Å²	97	137.9 Å²	137.9	68%	0.678	77%	0.769	S	S	*	*			trans	-66.5	121	177.9	56.1	0	0	0	0	111.1	N493	S491-N493 PolarHBondContact O-N 2.93Å
492	E	28.8	Very low	32.1	Very low	182 Å²	182	137.2 Å²	137.2	85%	0.85	77%	0.766	S	S	*	*			trans	-62.6	129.5	164.5	-62.2	-170.4	149.7	0	0	109.3	I490	I490-E492 PolarHBondContact O-N 2.86Å
493	N	33.7	Very low	34.8	Very low	154 Å²	154	136.1 Å²	136.1	82%	0.824	74%	0.743	S	S	*	*			trans	-136	111.9	170.3	-149.1	-11.7	0	0	0	109.2	S491 N495	S491-N493 PolarHBondContact O-N 2.93Å; N493-N495 PolarHBondContact O-N 3.47Å
494	N	27.8	Very low	37.5	Very low	140 Å²	140	134.6 Å²	134.6	75%	0.749	73%	0.729	S	S	*	*			trans	-72.4	124.5	-171.9	-74.6	-63.7	0	0	0	110.9
495	N	33.9	Very low	40.2	Very low	163 Å²	163	129.8 Å²	129.8	87%	0.872	70%	0.698	S	S	*	*			trans	-157.8	153.6	141.7	-105.3	-47.7	0	0	0	112.1	N493	N493-N495 PolarHBondContact O-N 3.47Å
496	T	29.3	Very low	42.9	Very low	130 Å²	130	129.7 Å²	129.7	80%	0.798	70%	0.698	S	S	*	*			trans	-81	136.3	-169.9	45.4	0	0	0	0	112.7
497	V	34.2	Very low	45.3	Very low	142 Å²	142	129 Å²	129	86%	0.861	69%	0.691	S	S	*	*			trans	175.6	150.5	139.1	146.4	0	0	0	0	110.1
498	S	30.5	Very low	47.7	Very low	102 Å²	102	126.5 Å²	126.5	71%	0.713	68%	0.676	S	S	*	*			trans	-72.7	123.2	-166.4	48.5	0	0	0	0	116.5
499	K	37.2	Very low	50	Low	203 Å²	203	126.5 Å²	126.5	88%	0.883	68%	0.678	S	S	*	*	S	Bend	trans	175.9	159.7	136.5	-96.1	150.2	-171.6	169	0	111.4	S501	K499-S501 PolarHBondContact O-N 3.03Å
500	K	40.3	Very low	52.6	Low	204 Å²	204	123.4 Å²	123.4	89%	0.887	66%	0.663	S	S	*	*			trans	-36.3	121	179.8	-65.9	179.5	176.9	-178.7	0	112.7	K502	K500-K502 PolarHBondContact O-N 3.06Å
501	S	38	Very low	54.9	Low	112 Å²	112	119.9 Å²	119.9	78%	0.783	65%	0.649	S	S	*	*			trans	-57.9	124.6	-179.7	40.8	0	0	0	0	111.3	K499	K499-S501 PolarHBondContact O-N 3.03Å
502	K	64.6	Low	57.4	Low	135 Å²	135	117.2 Å²	117.2	59%	0.587	63%	0.625	S	S	*	*			trans	-109.3	133.9	179.3	-87.2	175.1	158.7	-147.8	0	108.4	K500 I504 S511	K500-K502 PolarHBondContact O-N 3.06Å; K502-I504 HydrophobicContact CB-CG1 4.15Å; K502-I504 PolarHBondContact O-N 3.07Å; K502-S511 WeakPolarHBondContact CE-OG 3.11Å; K502-S511 PolarHBondContact NZ-OG 3.47Å
503	W	82.3	Confident	60	Low	108 Å²	108	114.3 Å²	114.3	41%	0.409	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.8	98	174.4	-62.5	90.9	0	0	0	108.3	F512 P515 L518	W503-F512 HydrophobicContact CB-CB 4.26Å; W503-F512 PolarHBondContact N-O 3.05Å; W503-F512 WeakPolarHBondContact O-CD2 3.39Å; W503-F512 PolarHBondContact O-N 3.27Å; W503-P515 HydrophobicContact CD2-CB 3.79Å; W503-P515 HydrophobicContact CD2-CG 4.48Å; W503-P515 HydrophobicContact CE3-CB 3.93Å; W503-P515 HydrophobicContact CG-CB 4.35Å; W503-P515 HydrophobicContact CH2-CB 4.21Å; W503-P515 HydrophobicContact CZ2-CB 4.08Å; W503-P515 HydrophobicContact CZ2-CG 4.1Å; W503-P515 HydrophobicContact CZ3-CB 4.14Å; W503-L518 HydrophobicContact CB-CB 4.03Å; W503-L518 HydrophobicContact CB-CD2 3.9Å; W503-L518 HydrophobicContact CE3-CD2 4.44Å
504	I	81.3	Confident	62.3	Low	101 Å²	101	111.6 Å²	111.6	52%	0.518	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.8	136.1	-172.1	-58.9	173.2	0	0	0	110.4	K502 L510	K502-I504 HydrophobicContact CB-CG1 4.15Å; K502-I504 PolarHBondContact O-N 3.07Å; I504-L510 WeakPolarHBondContact CA-O 3.34Å
505	C	82.4	Confident	65	Low	2 Å²	2	107.9 Å²	107.9	1%	0.014	58%	0.582	C	S	.	*			trans	-75.5	126.2	171.2	-176.5	0	0	0	0	111.9	H507 S509 L510 F512 L518 H521	C505-H507 PolarHBondContact O-N 2.96Å; C505-H507 PolarHBondContact SG-N 3.21Å; C505-S509 WeakPolarHBondContact O-CA 3.16Å; C505-S509 PolarHBondContact O-N 3.48Å; C505-L510 PolarHBondContact N-O 3Å; C505-F512 HydrophobicContact CB-CE2 4.33Å; C505-L518 HydrophobicContact CB-CD1 3.88Å; C505-H521 VanDerWaalsContact CB-NE2 3.25Å; C505-H521 WeakPolarHBondContact CB-NE2 3.42Å; C505-H521 PolarHBondContact SG-NE2 3Å
506	T	82.2	Confident	67.3	Low	122 Å²	122	103.2 Å²	103.2	75%	0.748	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-22.5	174.4	46.8	0	0	0	0	114.1
507	H	78.1	Confident	70	Confident	125 Å²	125	101.2 Å²	101.2	58%	0.579	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-13.2	-173.6	-62.4	-76.5	0	0	0	115.2	C505 H525	C505-H507 PolarHBondContact O-N 2.96Å; C505-H507 PolarHBondContact SG-N 3.21Å; H507-H525 HydrophobicContact CB-CB 4.22Å; H507-H525 WeakPolarHBondContact CB-ND1 3.25Å
508	C	79	Confident	72.5	Confident	51 Å²	51	95 Å²	95	35%	0.345	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.2	15.9	177.8	77.6	0	0	0	0	115.3	L510 H521 H525	C508-L510 PolarHBondContact O-N 2.83Å; C508-H521 PolarHBondContact SG-CE1 3.14Å; C508-H521 PolarHBondContact SG-NE2 3.48Å; C508-H525 PolarHBondContact SG-NE2 2.79Å
509	S	77.7	Confident	75.1	Confident	100 Å²	100	93.6 Å²	93.6	70%	0.699	49%	0.493	S	S	*	.			trans	59.7	4.7	175.4	-50.1	0	0	0	0	117	C505 S511	C505-S509 WeakPolarHBondContact O-CA 3.16Å; C505-S509 PolarHBondContact O-N 3.48Å; S509-S511 PolarHBondContact O-N 2.71Å
510	L	80.6	Confident	77.3	Confident	96 Å²	96	86.1 Å²	86.1	50%	0.503	46%	0.462	S	S	.	.			trans	-64.5	134.4	175.7	-74.5	178.6	0	0	0	110.7	I504 C505 C508 F512	I504-L510 WeakPolarHBondContact CA-O 3.34Å; C505-L510 PolarHBondContact N-O 3Å; C508-L510 PolarHBondContact O-N 2.83Å; L510-F512 HydrophobicContact CB-CE2 3.67Å; L510-F512 HydrophobicContact CB-CZ 3.75Å; L510-F512 HydrophobicContact CD1-CZ 4.27Å; L510-F512 WeakPolarHBondContact O-CE2 3.43Å
511	S	80.9	Confident	79.4	Confident	48 Å²	48	77.2 Å²	77.2	34%	0.336	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.6	-177	69.1	0	0	0	0	112.6	K502 S509	K502-S511 WeakPolarHBondContact CE-OG 3.11Å; K502-S511 PolarHBondContact NZ-OG 3.47Å; S509-S511 PolarHBondContact O-N 2.71Å
512	F	83.8	Confident	81.6	Confident	41 Å²	41	73.6 Å²	73.6	18%	0.18	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	149.4	-178.3	-59.2	-84.1	0	0	0	112	W503 C505 L510 H517 L518 H521	W503-F512 HydrophobicContact CB-CB 4.26Å; W503-F512 PolarHBondContact N-O 3.05Å; W503-F512 WeakPolarHBondContact O-CD2 3.39Å; W503-F512 PolarHBondContact O-N 3.27Å; C505-F512 HydrophobicContact CB-CE2 4.33Å; L510-F512 HydrophobicContact CB-CE2 3.67Å; L510-F512 HydrophobicContact CB-CZ 3.75Å; L510-F512 HydrophobicContact CD1-CZ 4.27Å; L510-F512 WeakPolarHBondContact O-CE2 3.43Å; F512-H517 HydrophobicContact CB-CB 4.05Å; F512-H517 HydrophobicContact CD1-CB 3.84Å; F512-H517 HydrophobicContact CG-CB 4.23Å; F512-L518 HydrophobicContact CB-CB 4.28Å; F512-L518 HydrophobicContact CD2-CB 4.05Å; F512-L518 HydrophobicContact CD2-CD1 3.92Å; F512-L518 HydrophobicContact CE2-CD1 4.23Å; F512-L518 HydrophobicContact CG-CB 4.33Å; F512-H521 HydrophobicContact CE1-CB 3.9Å; F512-H521 HydrophobicContact CE2-CB 3.93Å; F512-H521 AromaticContact CE2-CD2 3.22Å; F512-H521 WeakPolarHBondContact CE2-CD2 3.4Å; F512-H521 AromaticContact CE2-CG 3.56Å; F512-H521 AromaticContact CE2-NE2 3.85Å; F512-H521 HydrophobicContact CZ-CB 3.49Å; F512-H521 VanDerWaalsContact CZ-CB 3.49Å; F512-H521 AromaticContact CZ-CD2 3.4Å; F512-H521 VanDerWaalsContact CZ-CD2 3.4Å; F512-H521 WeakPolarHBondContact CZ-CD2 3.16Å; F512-H521 AromaticContact CZ-CG 3.21Å; F512-H521 AromaticContact CZ-ND1 3.74Å; F512-H521 AromaticContact CZ-NE2 3.97Å
513	T	83	Confident	82.7	Confident	121 Å²	121	68.7 Å²	68.7	74%	0.742	37%	0.373	S	S	*	.	S	Bend	trans	-85.8	-15.7	-179.3	48.7	0	0	0	0	114
514	R	82.3	Confident	82.5	Confident	98 Å²	98	68.9 Å²	68.9	37%	0.37	38%	0.381	S	S	.	.	S	Bend	trans	-138	143.6	178.1	-72.8	-178.7	168.6	156.3	-5.9	109.4	E66 S516 H517 L518	E66-R514 IonicContact OE1-CZ 2.89Å; E66-R514 IonicContact OE1-NH2 2.77Å; E66-R514 PolarHBondContact OE1-NH2 2.95Å; E66-R514 IonicContact OE2-NH2 3.21Å; R514-S516 VanDerWaalsContact C-N 3.26Å; R514-S516 PolarHBondContact O-N 3.47Å; R514-H517 WeakPolarHBondContact O-CB 3.37Å; R514-H517 PolarHBondContact O-N 3.02Å; R514-H517 VanDerWaalsContact O-N 3.09Å; R514-L518 PolarHBondContact O-N 3.23Å
515	P	84.5	Confident	82.5	Confident	61 Å²	61	67.7 Å²	67.7	40%	0.396	37%	0.373	S	S	.	.	H	α-helix	trans	-64.5	-31.4	-179.3	24.4	-31.5	0	0	0	112.1	W503 H517 L518 V519	W503-P515 HydrophobicContact CD2-CB 3.79Å; W503-P515 HydrophobicContact CD2-CG 4.48Å; W503-P515 HydrophobicContact CE3-CB 3.93Å; W503-P515 HydrophobicContact CG-CB 4.35Å; W503-P515 HydrophobicContact CH2-CB 4.21Å; W503-P515 HydrophobicContact CZ2-CB 4.08Å; W503-P515 HydrophobicContact CZ2-CG 4.1Å; W503-P515 HydrophobicContact CZ3-CB 4.14Å; P515-H517 VanDerWaalsContact C-N 3.27Å; P515-H517 PolarHBondContact O-N 2.89Å; P515-L518 WeakPolarHBondContact O-CB 3.33Å; P515-L518 PolarHBondContact O-N 2.98Å; P515-L518 VanDerWaalsContact O-N 3.1Å; P515-V519 WeakPolarHBondContact O-CG2 3.43Å; P515-V519 PolarHBondContact O-N 3.15Å
516	S	82.3	Confident	82.4	Confident	66 Å²	66	71.5 Å²	71.5	46%	0.462	40%	0.396	S	S	.	.	H	α-helix	trans	-58.7	-36	172.9	53.7	0	0	0	0	113.2	R514 V519 D520	R514-S516 VanDerWaalsContact C-N 3.26Å; R514-S516 PolarHBondContact O-N 3.47Å; S516-V519 PolarHBondContact O-N 3.4Å; S516-D520 WeakPolarHBondContact O-CB 3.44Å; S516-D520 PolarHBondContact O-N 3.38Å
517	H	84.5	Confident	82.1	Confident	88 Å²	88	67.1 Å²	67.1	41%	0.407	38%	0.376	S	S	.	.	H	α-helix	trans	-72.7	-33.9	175.7	-64.3	-177.5	0	0	0	111.8	F512 R514 P515 H521	F512-H517 HydrophobicContact CB-CB 4.05Å; F512-H517 HydrophobicContact CD1-CB 3.84Å; F512-H517 HydrophobicContact CG-CB 4.23Å; R514-H517 WeakPolarHBondContact O-CB 3.37Å; R514-H517 PolarHBondContact O-N 3.02Å; R514-H517 VanDerWaalsContact O-N 3.09Å; P515-H517 VanDerWaalsContact C-N 3.27Å; P515-H517 PolarHBondContact O-N 2.89Å; H517-H521 VanDerWaalsContact O-CB 3.23Å; H517-H521 WeakPolarHBondContact O-CB 3.35Å; H517-H521 PolarHBondContact O-N 2.98Å
518	L	87.9	Confident	82.1	Confident	12 Å²	12	65.1 Å²	65.1	6%	0.063	37%	0.367	C	S	.	.	H	α-helix	trans	-64.2	-44.3	170.7	173.4	61	0	0	0	110.6	W503 C505 F512 R514 P515 H521 L522	W503-L518 HydrophobicContact CB-CB 4.03Å; W503-L518 HydrophobicContact CB-CD2 3.9Å; W503-L518 HydrophobicContact CE3-CD2 4.44Å; C505-L518 HydrophobicContact CB-CD1 3.88Å; F512-L518 HydrophobicContact CB-CB 4.28Å; F512-L518 HydrophobicContact CD2-CB 4.05Å; F512-L518 HydrophobicContact CD2-CD1 3.92Å; F512-L518 HydrophobicContact CE2-CD1 4.23Å; F512-L518 HydrophobicContact CG-CB 4.33Å; R514-L518 PolarHBondContact O-N 3.23Å; P515-L518 WeakPolarHBondContact O-CB 3.33Å; P515-L518 PolarHBondContact O-N 2.98Å; P515-L518 VanDerWaalsContact O-N 3.1Å; L518-H521 CarbonylContact O-C 3.49Å; L518-H521 PolarHBondContact O-N 3.27Å; L518-L522 HydrophobicContact CD1-CD1 4.1Å; L518-L522 HydrophobicContact CD1-CD2 4.47Å; L518-L522 HydrophobicContact CD1-CG 3.97Å; L518-L522 HydrophobicContact CG-CD1 3.95Å; L518-L522 HydrophobicContact CG-CG 4.3Å; L518-L522 WeakPolarHBondContact O-CB 3.38Å; L518-L522 WeakPolarHBondContact O-CG 3.47Å; L518-L522 PolarHBondContact O-N 3.3Å
519	V	84.9	Confident	82.3	Confident	72 Å²	72	68.9 Å²	68.9	44%	0.436	37%	0.374	S	S	.	.	H	α-helix	trans	-62.8	-47.6	176.6	173.1	0	0	0	0	111.9	P515 S516 H521 L522 R523	P515-V519 WeakPolarHBondContact O-CG2 3.43Å; P515-V519 PolarHBondContact O-N 3.15Å; S516-V519 PolarHBondContact O-N 3.4Å; V519-H521 PolarHBondContact O-N 2.92Å; V519-L522 PolarHBondContact O-N 3Å; V519-R523 PolarHBondContact O-N 3.44Å
520	D	82.8	Confident	82.4	Confident	46 Å²	46	67.8 Å²	67.8	25%	0.246	36%	0.364	C	S	.	.	H	α-helix	trans	-62.9	-24	176.5	-95.2	16.1	0	0	0	113.1	S516 R523 Q542	S516-D520 WeakPolarHBondContact O-CB 3.44Å; S516-D520 PolarHBondContact O-N 3.38Å; D520-R523 IonicContact OD1-CZ 2.85Å; D520-R523 IonicContact OD1-NH1 3.57Å; D520-R523 PolarHBondContact OD1-NH1 3.2Å; D520-R523 IonicContact OD1-NH2 3.62Å; D520-R523 PolarHBondContact OD1-NH2 2.92Å; D520-Q542 HydrophobicContact CB-CG 4.46Å
521	H	84.3	Confident	82.5	Confident	16 Å²	16	66.8 Å²	66.8	7%	0.074	35%	0.354	C	S	.	.	H	α-helix	trans	-85.1	-37.9	173.2	163.9	68.1	0	0	0	113	C505 C508 F512 H517 L518 V519 R523 I524 H525	C505-H521 VanDerWaalsContact CB-NE2 3.25Å; C505-H521 WeakPolarHBondContact CB-NE2 3.42Å; C505-H521 PolarHBondContact SG-NE2 3Å; C508-H521 PolarHBondContact SG-CE1 3.14Å; C508-H521 PolarHBondContact SG-NE2 3.48Å; F512-H521 HydrophobicContact CE1-CB 3.9Å; F512-H521 HydrophobicContact CE2-CB 3.93Å; F512-H521 AromaticContact CE2-CD2 3.22Å; F512-H521 WeakPolarHBondContact CE2-CD2 3.4Å; F512-H521 AromaticContact CE2-CG 3.56Å; F512-H521 AromaticContact CE2-NE2 3.85Å; F512-H521 HydrophobicContact CZ-CB 3.49Å; F512-H521 VanDerWaalsContact CZ-CB 3.49Å; F512-H521 AromaticContact CZ-CD2 3.4Å; F512-H521 VanDerWaalsContact CZ-CD2 3.4Å; F512-H521 WeakPolarHBondContact CZ-CD2 3.16Å; F512-H521 AromaticContact CZ-CG 3.21Å; F512-H521 AromaticContact CZ-ND1 3.74Å; F512-H521 AromaticContact CZ-NE2 3.97Å; H517-H521 VanDerWaalsContact O-CB 3.23Å; H517-H521 WeakPolarHBondContact O-CB 3.35Å; H517-H521 PolarHBondContact O-N 2.98Å; L518-H521 CarbonylContact O-C 3.49Å; L518-H521 PolarHBondContact O-N 3.27Å; V519-H521 PolarHBondContact O-N 2.92Å; H521-R523 PolarHBondContact O-N 3.44Å; H521-I524 WeakPolarHBondContact O-CA 3.46Å; H521-I524 WeakPolarHBondContact O-CB 3.41Å; H521-I524 WeakPolarHBondContact O-CG1 3.31Å; H521-I524 PolarHBondContact O-N 3.16Å; H521-H525 AromaticContact CE1-CD2 3.78Å; H521-H525 AromaticContact CE1-NE2 3.33Å; H521-H525 PolarHBondContact CE1-NE2 3.03Å; H521-H525 VanDerWaalsContact CE1-NE2 3.33Å; H521-H525 AromaticContact NE2-CD2 3.66Å; H521-H525 AromaticContact NE2-NE2 3.38Å; H521-H525 PolarHBondContact NE2-NE2 3.2Å
522	L	85	Confident	82.2	Confident	36 Å²	36	71 Å²	71	19%	0.188	37%	0.367	C	S	.	.	H	α-helix	trans	-59.4	-29.3	176.2	-77.4	168.6	0	0	0	111.7	L518 V519 I524 H525 T526	L518-L522 HydrophobicContact CD1-CD1 4.1Å; L518-L522 HydrophobicContact CD1-CD2 4.47Å; L518-L522 HydrophobicContact CD1-CG 3.97Å; L518-L522 HydrophobicContact CG-CD1 3.95Å; L518-L522 HydrophobicContact CG-CG 4.3Å; L518-L522 WeakPolarHBondContact O-CB 3.38Å; L518-L522 WeakPolarHBondContact O-CG 3.47Å; L518-L522 PolarHBondContact O-N 3.3Å; V519-L522 PolarHBondContact O-N 3Å; L522-I524 PolarHBondContact O-N 2.83Å; L522-I524 VanDerWaalsContact O-N 3.13Å; L522-H525 CarbonylContact O-C 3.46Å; L522-H525 WeakPolarHBondContact O-CA 3.48Å; L522-H525 WeakPolarHBondContact O-CB 3.42Å; L522-H525 PolarHBondContact O-N 3.18Å; L522-T526 PolarHBondContact O-N 3.42Å
523	R	87.2	Confident	81.8	Confident	33 Å²	33	69.1 Å²	69.1	13%	0.125	36%	0.359	C	S	.	.	H	α-helix	trans	-60.8	-16.4	169.7	-62.9	-159.3	-159.7	99	19.6	115.1	V519 D520 H521 G527 E528 T541	V519-R523 PolarHBondContact O-N 3.44Å; D520-R523 IonicContact OD1-CZ 2.85Å; D520-R523 IonicContact OD1-NH1 3.57Å; D520-R523 PolarHBondContact OD1-NH1 3.2Å; D520-R523 IonicContact OD1-NH2 3.62Å; D520-R523 PolarHBondContact OD1-NH2 2.92Å; H521-R523 PolarHBondContact O-N 3.44Å; R523-G527 CarbonylContact O-C 3.42Å; R523-G527 WeakPolarHBondContact O-CA 3.28Å; R523-G527 PolarHBondContact O-N 3.32Å; R523-G527 VanDerWaalsContact O-N 3.15Å; R523-E528 HydrophobicContact CB-CB 4.09Å; R523-E528 HydrophobicContact CG-CB 3.93Å; R523-E528 IonicContact NE-OE2 2.63Å; R523-E528 PolarHBondContact O-N 2.99Å; R523-T541 HydrophobicContact CB-CG2 4.49Å; R523-T541 PolarHBondContact NH1-O 3.37Å
524	I	78.2	Confident	80.6	Confident	111 Å²	111	70.6 Å²	70.6	57%	0.569	36%	0.36	S	S	*	.	H	α-helix	trans	-74.9	-34.1	170.7	-54.3	176.7	0	0	0	110	H521 L522	H521-I524 WeakPolarHBondContact O-CA 3.46Å; H521-I524 WeakPolarHBondContact O-CB 3.41Å; H521-I524 WeakPolarHBondContact O-CG1 3.31Å; H521-I524 PolarHBondContact O-N 3.16Å; L522-I524 PolarHBondContact O-N 2.83Å; L522-I524 VanDerWaalsContact O-N 3.13Å
525	H	81.7	Confident	79.3	Confident	76 Å²	76	70.4 Å²	70.4	35%	0.352	37%	0.366	S	S	.	.	H	α-helix	trans	-84.1	-41.4	177.7	-66.5	-72.7	0	0	0	113.1	H507 C508 H521 L522 G527	H507-H525 HydrophobicContact CB-CB 4.22Å; H507-H525 WeakPolarHBondContact CB-ND1 3.25Å; C508-H525 PolarHBondContact SG-NE2 2.79Å; H521-H525 AromaticContact CE1-CD2 3.78Å; H521-H525 AromaticContact CE1-NE2 3.33Å; H521-H525 PolarHBondContact CE1-NE2 3.03Å; H521-H525 VanDerWaalsContact CE1-NE2 3.33Å; H521-H525 AromaticContact NE2-CD2 3.66Å; H521-H525 AromaticContact NE2-NE2 3.38Å; H521-H525 PolarHBondContact NE2-NE2 3.2Å; L522-H525 CarbonylContact O-C 3.46Å; L522-H525 WeakPolarHBondContact O-CA 3.48Å; L522-H525 WeakPolarHBondContact O-CB 3.42Å; L522-H525 PolarHBondContact O-N 3.18Å; H525-G527 PolarHBondContact O-N 2.9Å
526	T	79.6	Confident	78.8	Confident	82 Å²	82	70.4 Å²	70.4	50%	0.503	37%	0.367	S	S	.	.	S	Bend	trans	-76.2	-12.6	174.5	67.5	0	0	0	0	113	L522 E528	L522-T526 PolarHBondContact O-N 3.42Å; T526-E528 PolarHBondContact O-N 3.04Å; T526-E528 VanDerWaalsContact OG1-CD 3.31Å; T526-E528 VanDerWaalsContact OG1-CG 3.32Å; T526-E528 WeakPolarHBondContact OG1-CG 3.47Å; T526-E528 PolarHBondContact OG1-OE1 2.77Å
527	G	76.6	Confident	78.3	Confident	31 Å²	31	69 Å²	69	32%	0.32	36%	0.362	S	S	.	.			trans	73	1.8	-177.4	0	0	0	0	0	114.8	R523 H525 R529	R523-G527 CarbonylContact O-C 3.42Å; R523-G527 WeakPolarHBondContact O-CA 3.28Å; R523-G527 PolarHBondContact O-N 3.32Å; R523-G527 VanDerWaalsContact O-N 3.15Å; H525-G527 PolarHBondContact O-N 2.9Å; G527-R529 PolarHBondContact O-N 3.37Å; G527-R529 PolarHBondContact O-NH1 3.39Å
528	E	76.9	Confident	78	Confident	82 Å²	82	70.8 Å²	70.8	38%	0.383	37%	0.366	S	S	.	.			trans	-57	126.6	-178.5	-83.9	171.1	-128.4	0	0	113.6	R523 T526 P530 T541	R523-E528 HydrophobicContact CB-CB 4.09Å; R523-E528 HydrophobicContact CG-CB 3.93Å; R523-E528 IonicContact NE-OE2 2.63Å; R523-E528 PolarHBondContact O-N 2.99Å; T526-E528 PolarHBondContact O-N 3.04Å; T526-E528 VanDerWaalsContact OG1-CD 3.31Å; T526-E528 VanDerWaalsContact OG1-CG 3.32Å; T526-E528 WeakPolarHBondContact OG1-CG 3.47Å; T526-E528 PolarHBondContact OG1-OE1 2.77Å; E528-P530 VanDerWaalsContact C-CD 3.44Å; E528-P530 WeakPolarHBondContact O-CD 3.42Å; E528-T541 WeakPolarHBondContact O-CG2 3.48Å
529	R	83.1	Confident	77.8	Confident	130 Å²	130	75.3 Å²	75.3	49%	0.491	39%	0.387	S	S	.	.			trans	-125.4	64	177.3	-66	168.5	173.8	85.2	-10.3	111.6	G527 Y531 Q539 F540 T541	G527-R529 PolarHBondContact O-N 3.37Å; G527-R529 PolarHBondContact O-NH1 3.39Å; R529-Y531 PolarHBondContact O-N 3.05Å; R529-Q539 HydrophobicContact CB-CB 3.48Å; R529-Q539 VanDerWaalsContact CB-CB 3.48Å; R529-Q539 HydrophobicContact CG-CB 4.44Å; R529-Q539 WeakPolarHBondContact O-CB 3.27Å; R529-F540 CarbonylContact C-O 3.54Å; R529-F540 VanDerWaalsContact CA-O 3.27Å; R529-F540 WeakPolarHBondContact CA-O 3.43Å; R529-T541 HydrophobicContact CG-CG2 4.04Å
530	P	81.1	Confident	77.7	Confident	78 Å²	78	74 Å²	74	51%	0.506	38%	0.375	S	S	.	.			trans	-65.1	-11.4	-170.7	25.7	-34.7	0	0	0	114.8	E528 K532	E528-P530 VanDerWaalsContact C-CD 3.44Å; E528-P530 WeakPolarHBondContact O-CD 3.42Å; P530-K532 PolarHBondContact O-N 2.82Å
531	Y	81.2	Confident	77.8	Confident	74 Å²	74	73.3 Å²	73.3	29%	0.29	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	79.6	-178.3	-55.3	-78.6	0	0	0	111.3	R529 F540 T541 Q542 A543	R529-Y531 PolarHBondContact O-N 3.05Å; Y531-F540 WeakPolarHBondContact CB-O 3.33Å; Y531-F540 WeakPolarHBondContact CD2-O 2.8Å; Y531-F540 PolarHBondContact N-O 2.76Å; Y531-F540 VanDerWaalsContact N-O 3.11Å; Y531-F540 WeakPolarHBondContact O-CD2 3.26Å; Y531-F540 PolarHBondContact O-N 3.28Å; Y531-T541 WeakPolarHBondContact CE2-O 3.46Å; Y531-Q542 VanDerWaalsContact CD2-CA 3.47Å; Y531-A543 HydrophobicContact CD1-CB 3.88Å; Y531-A543 HydrophobicContact CE1-CB 3.6Å; Y531-A543 HydrophobicContact CE2-CB 4.48Å; Y531-A543 HydrophobicContact CG-CB 4.44Å
532	K	76.2	Confident	77.7	Confident	138 Å²	138	75.2 Å²	75.2	60%	0.6	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	137.8	174.8	-170.1	179.7	-179.6	-174.9	0	111.6	P530 Q539	P530-K532 PolarHBondContact O-N 2.82Å; K532-Q539 HydrophobicContact CB-CG 4.28Å; K532-Q539 HydrophobicContact CG-CG 4.2Å
533	C	74.2	Confident	77.6	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.007	39%	0.387	C	S	.	.			trans	-85.2	120.3	171	-175.1	0	0	0	0	111.8	L535 C536 G537 R538 F540 L546 H549	C533-L535 PolarHBondContact O-N 3.38Å; C533-L535 PolarHBondContact SG-N 3.37Å; C533-L535 VanDerWaalsContact SG-N 3.37Å; C533-C536 PolarHBondContact O-N 3.39Å; C533-G537 WeakPolarHBondContact O-CA 3.46Å; C533-G537 PolarHBondContact O-N 2.99Å; C533-R538 WeakPolarHBondContact CB-O 3.44Å; C533-R538 PolarHBondContact N-O 2.6Å; C533-F540 HydrophobicContact CB-CE2 4.3Å; C533-L546 HydrophobicContact CB-CD1 3.67Å; C533-H549 PolarHBondContact SG-CD2 3.35Å; C533-H549 PolarHBondContact SG-NE2 2.89Å; C533-H549 VanDerWaalsContact SG-NE2 3.36Å
534	I	58.2	Low	77.4	Confident	152 Å²	152	75.9 Å²	75.9	78%	0.779	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-20.2	175.6	68.8	-177	0	0	0	114	L550	I534-L550 HydrophobicContact CG1-CD2 4.48Å
535	L	55.4	Low	77.6	Confident	93 Å²	93	72.2 Å²	72.2	49%	0.487	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-10.8	-174.7	-59.3	179.6	0	0	0	114.9	C533 L550 H553	C533-L535 PolarHBondContact O-N 3.38Å; C533-L535 PolarHBondContact SG-N 3.37Å; C533-L535 VanDerWaalsContact SG-N 3.37Å; L535-L550 HydrophobicContact CD1-CD2 4.06Å; L535-L550 HydrophobicContact CG-CD2 4.28Å; L535-H553 HydrophobicContact CD1-CB 3.55Å
536	C	73.9	Confident	77.7	Confident	61 Å²	61	69.9 Å²	69.9	41%	0.412	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.2	21.6	171.2	71.8	0	0	0	0	115.4	C533 R538 H549	C533-C536 PolarHBondContact O-N 3.39Å; C536-R538 PolarHBondContact O-N 3.17Å; C536-H549 PolarHBondContact SG-CE1 3.47Å; C536-H549 PolarHBondContact SG-NE2 3.49Å
537	G	71	Confident	77.7	Confident	36 Å²	36	72.2 Å²	72.2	37%	0.371	37%	0.368	S	S	.	.			trans	70.9	-17.6	176.2	0	0	0	0	0	116.5	C533 Q539	C533-G537 WeakPolarHBondContact O-CA 3.46Å; C533-G537 PolarHBondContact O-N 2.99Å; G537-Q539 PolarHBondContact O-N 3.03Å
538	R	78.8	Confident	77.7	Confident	127 Å²	127	78.6 Å²	78.6	48%	0.479	38%	0.382	S	S	.	.			trans	-55	126.2	-178.2	-74.5	-172.1	-176.9	-135.8	-2.3	112	C533 C536 F540	C533-R538 WeakPolarHBondContact CB-O 3.44Å; C533-R538 PolarHBondContact N-O 2.6Å; C536-R538 PolarHBondContact O-N 3.17Å; R538-F540 HydrophobicContact CB-CE2 3.96Å; R538-F540 HydrophobicContact CB-CZ 3.96Å; R538-F540 VanDerWaalsContact O-CE2 3.32Å; R538-F540 WeakPolarHBondContact O-CE2 3.45Å
539	Q	83.5	Confident	77.6	Confident	107 Å²	107	75.5 Å²	75.5	50%	0.5	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	144.7	-179.4	-56.4	-178.4	0.3	0	0	111.4	R529 K532 G537	R529-Q539 HydrophobicContact CB-CB 3.48Å; R529-Q539 VanDerWaalsContact CB-CB 3.48Å; R529-Q539 HydrophobicContact CG-CB 4.44Å; R529-Q539 WeakPolarHBondContact O-CB 3.27Å; K532-Q539 HydrophobicContact CB-CG 4.28Å; K532-Q539 HydrophobicContact CG-CG 4.2Å; G537-Q539 PolarHBondContact O-N 3.03Å
540	F	83.6	Confident	76.7	Confident	43 Å²	43	72 Å²	72	19%	0.189	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.6	-179.4	-57.9	-84.7	0	0	0	111.7	R529 Y531 C533 R538 Q542 N545 L546 H549	R529-F540 CarbonylContact C-O 3.54Å; R529-F540 VanDerWaalsContact CA-O 3.27Å; R529-F540 WeakPolarHBondContact CA-O 3.43Å; Y531-F540 WeakPolarHBondContact CB-O 3.33Å; Y531-F540 WeakPolarHBondContact CD2-O 2.8Å; Y531-F540 PolarHBondContact N-O 2.76Å; Y531-F540 VanDerWaalsContact N-O 3.11Å; Y531-F540 WeakPolarHBondContact O-CD2 3.26Å; Y531-F540 PolarHBondContact O-N 3.28Å; C533-F540 HydrophobicContact CB-CE2 4.3Å; R538-F540 HydrophobicContact CB-CE2 3.96Å; R538-F540 HydrophobicContact CB-CZ 3.96Å; R538-F540 VanDerWaalsContact O-CE2 3.32Å; R538-F540 WeakPolarHBondContact O-CE2 3.45Å; F540-Q542 VanDerWaalsContact C-N 3.32Å; F540-N545 HydrophobicContact CB-CB 4Å; F540-N545 HydrophobicContact CD1-CB 3.82Å; F540-N545 HydrophobicContact CG-CB 4.09Å; F540-L546 HydrophobicContact CD2-CB 4.02Å; F540-L546 HydrophobicContact CD2-CD1 4.13Å; F540-L546 HydrophobicContact CE2-CD1 4.26Å; F540-H549 HydrophobicContact CE1-CB 4.24Å; F540-H549 HydrophobicContact CE2-CB 3.79Å; F540-H549 AromaticContact CE2-CD2 3.5Å; F540-H549 AromaticContact CE2-CG 3.66Å; F540-H549 HydrophobicContact CZ-CB 3.51Å; F540-H549 AromaticContact CZ-CD2 3.66Å; F540-H549 AromaticContact CZ-CG 3.37Å; F540-H549 AromaticContact CZ-ND1 3.88Å
541	T	83.6	Confident	76.1	Confident	32 Å²	32	72 Å²	72	20%	0.196	36%	0.36	C	S	.	.	S	Bend	trans	-73	-20.9	176.8	53.8	0	0	0	0	113.5	R523 E528 R529 Y531	R523-T541 HydrophobicContact CB-CG2 4.49Å; R523-T541 PolarHBondContact NH1-O 3.37Å; E528-T541 WeakPolarHBondContact O-CG2 3.48Å; R529-T541 HydrophobicContact CG-CG2 4.04Å; Y531-T541 WeakPolarHBondContact CE2-O 3.46Å
542	Q	83.7	Confident	75.4	Confident	57 Å²	57	69.2 Å²	69.2	27%	0.266	35%	0.351	S	S	.	.	S	Bend	trans	-139.1	143.6	-173.8	-64.5	175.4	-14.8	0	0	112.5	D520 Y531 F540 S544 N545 L546	D520-Q542 HydrophobicContact CB-CG 4.46Å; Y531-Q542 VanDerWaalsContact CD2-CA 3.47Å; F540-Q542 VanDerWaalsContact C-N 3.32Å; Q542-S544 VanDerWaalsContact C-N 3.29Å; Q542-S544 PolarHBondContact O-N 3.33Å; Q542-S544 PolarHBondContact OE1-OG 3.49Å; Q542-N545 PolarHBondContact O-N 3.08Å; Q542-N545 VanDerWaalsContact O-N 3.12Å; Q542-N545 PolarHBondContact OE1-ND2 3.45Å; Q542-L546 PolarHBondContact O-N 2.99Å
543	A	81.8	Confident	74.4	Confident	37 Å²	37	65.6 Å²	65.6	31%	0.306	34%	0.336	S	S	.	.	H	α-helix	trans	-62.3	-32	178.8	0	0	0	0	0	113.6	Y531 N545 L546 R547	Y531-A543 HydrophobicContact CD1-CB 3.88Å; Y531-A543 HydrophobicContact CE1-CB 3.6Å; Y531-A543 HydrophobicContact CE2-CB 4.48Å; Y531-A543 HydrophobicContact CG-CB 4.44Å; A543-N545 VanDerWaalsContact C-N 3.3Å; A543-N545 PolarHBondContact O-N 2.96Å; A543-L546 PolarHBondContact O-N 3.39Å; A543-R547 WeakPolarHBondContact O-CG 3.34Å; A543-R547 PolarHBondContact O-N 3.19Å
544	S	83.4	Confident	73	Confident	45 Å²	45	75.8 Å²	75.8	32%	0.315	38%	0.375	S	S	.	.	H	α-helix	trans	-58.6	-40.7	174	55.8	0	0	0	0	111.9	Q542 R547 R548	Q542-S544 VanDerWaalsContact C-N 3.29Å; Q542-S544 PolarHBondContact O-N 3.33Å; Q542-S544 PolarHBondContact OE1-OG 3.49Å; S544-R547 PolarHBondContact O-N 3.16Å; S544-R548 VanDerWaalsContact O-CB 3.3Å; S544-R548 WeakPolarHBondContact O-CB 3.34Å; S544-R548 PolarHBondContact O-N 3.39Å
545	N	82.4	Confident	72	Confident	34 Å²	34	71.5 Å²	71.5	18%	0.182	36%	0.362	C	S	.	.	H	α-helix	trans	-71.2	-39.8	178.5	-75.3	-49.2	0	0	0	112.2	F540 Q542 A543 R548 H549	F540-N545 HydrophobicContact CB-CB 4Å; F540-N545 HydrophobicContact CD1-CB 3.82Å; F540-N545 HydrophobicContact CG-CB 4.09Å; Q542-N545 PolarHBondContact O-N 3.08Å; Q542-N545 VanDerWaalsContact O-N 3.12Å; Q542-N545 PolarHBondContact OE1-ND2 3.45Å; A543-N545 VanDerWaalsContact C-N 3.3Å; A543-N545 PolarHBondContact O-N 2.96Å; N545-R548 CarbonylContact O-C 3.6Å; N545-R548 PolarHBondContact O-N 3.33Å; N545-R548 PolarHBondContact OD1-NE 2.98Å; N545-R548 PolarHBondContact OD1-NH2 3.01Å; N545-H549 WeakPolarHBondContact O-CB 3.32Å; N545-H549 PolarHBondContact O-N 3.35Å
546	L	83.4	Confident	70.6	Confident	28 Å²	28	73.5 Å²	73.5	15%	0.147	36%	0.363	C	S	.	.	H	α-helix	trans	-61.8	-46.6	170.8	175.6	58.4	0	0	0	111.5	C533 F540 Q542 A543 R548 H549 L550	C533-L546 HydrophobicContact CB-CD1 3.67Å; F540-L546 HydrophobicContact CD2-CB 4.02Å; F540-L546 HydrophobicContact CD2-CD1 4.13Å; F540-L546 HydrophobicContact CE2-CD1 4.26Å; Q542-L546 PolarHBondContact O-N 2.99Å; A543-L546 PolarHBondContact O-N 3.39Å; L546-R548 VanDerWaalsContact C-N 3.33Å; L546-R548 PolarHBondContact O-N 2.81Å; L546-H549 PolarHBondContact O-N 2.65Å; L546-L550 HydrophobicContact CD1-CD1 4.03Å; L546-L550 HydrophobicContact CD1-CD2 4.41Å; L546-L550 HydrophobicContact CD1-CG 3.91Å; L546-L550 HydrophobicContact CG-CD1 3.98Å; L546-L550 HydrophobicContact CG-CG 4.34Å; L546-L550 WeakPolarHBondContact O-CG 3.13Å; L546-L550 PolarHBondContact O-N 3.24Å
547	R	80.2	Confident	68.5	Low	131 Å²	131	75.7 Å²	75.7	49%	0.494	38%	0.376	S	S	.	.	H	α-helix	trans	-56.8	-43.7	174.5	-73.9	-176.7	-73.6	158	0.4	112.1	E71 A543 S544 H549 S551	E71-R547 IonicContact OE1-NH2 3.78Å; E71-R547 PolarHBondContact OE1-NH2 3.41Å; E71-R547 IonicContact OE2-CZ 3.48Å; E71-R547 IonicContact OE2-NH1 2.78Å; E71-R547 PolarHBondContact OE2-NH1 2.96Å; E71-R547 IonicContact OE2-NH2 3.66Å; E71-R547 PolarHBondContact OE2-NH2 2.9Å; A543-R547 WeakPolarHBondContact O-CG 3.34Å; A543-R547 PolarHBondContact O-N 3.19Å; S544-R547 PolarHBondContact O-N 3.16Å; R547-H549 PolarHBondContact O-N 2.93Å; R547-S551 PolarHBondContact O-N 2.81Å
548	R	75.9	Confident	66.5	Low	165 Å²	165	78.7 Å²	78.7	62%	0.623	39%	0.389	S	S	*	.	H	α-helix	trans	-69	-16.1	175.7	-176.5	168.8	68.2	138.5	-3.1	114.1	S544 N545 L546 S551	S544-R548 VanDerWaalsContact O-CB 3.3Å; S544-R548 WeakPolarHBondContact O-CB 3.34Å; S544-R548 PolarHBondContact O-N 3.39Å; N545-R548 CarbonylContact O-C 3.6Å; N545-R548 PolarHBondContact O-N 3.33Å; N545-R548 PolarHBondContact OD1-NE 2.98Å; N545-R548 PolarHBondContact OD1-NH2 3.01Å; L546-R548 VanDerWaalsContact C-N 3.33Å; L546-R548 PolarHBondContact O-N 2.81Å; R548-S551 PolarHBondContact O-OG 3.33Å
549	H	74.5	Confident	64.2	Low	17 Å²	17	78.8 Å²	78.8	8%	0.079	40%	0.404	C	S	.	.	H	α-helix	trans	-95.8	-40.7	176.4	172.7	68.5	0	0	0	112.2	C533 C536 F540 N545 L546 R547 S551 S552 H553	C533-H549 PolarHBondContact SG-CD2 3.35Å; C533-H549 PolarHBondContact SG-NE2 2.89Å; C533-H549 VanDerWaalsContact SG-NE2 3.36Å; C536-H549 PolarHBondContact SG-CE1 3.47Å; C536-H549 PolarHBondContact SG-NE2 3.49Å; F540-H549 HydrophobicContact CE1-CB 4.24Å; F540-H549 HydrophobicContact CE2-CB 3.79Å; F540-H549 AromaticContact CE2-CD2 3.5Å; F540-H549 AromaticContact CE2-CG 3.66Å; F540-H549 HydrophobicContact CZ-CB 3.51Å; F540-H549 AromaticContact CZ-CD2 3.66Å; F540-H549 AromaticContact CZ-CG 3.37Å; F540-H549 AromaticContact CZ-ND1 3.88Å; N545-H549 WeakPolarHBondContact O-CB 3.32Å; N545-H549 PolarHBondContact O-N 3.35Å; L546-H549 PolarHBondContact O-N 2.65Å; R547-H549 PolarHBondContact O-N 2.93Å; H549-S551 PolarHBondContact O-N 3.21Å; H549-S552 PolarHBondContact O-N 3.32Å; H549-S552 PolarHBondContact O-OG 3.12Å; H549-H553 AromaticContact CD2-NE2 3.82Å; H549-H553 AromaticContact CE1-NE2 3.36Å; H549-H553 PolarHBondContact CE1-NE2 2.89Å; H549-H553 AromaticContact NE2-CD2 3.83Å; H549-H553 AromaticContact NE2-CE1 3.96Å; H549-H553 AromaticContact NE2-NE2 2.99Å; H549-H553 PolarHBondContact NE2-NE2 3.4Å
550	L	64.4	Low	61.8	Low	56 Å²	56	77.9 Å²	77.9	29%	0.293	41%	0.409	S	S	.	.	H	α-helix	trans	-57.3	-36	174.4	-72.4	168.7	0	0	0	112.5	I534 L535 L546 S552 H553	I534-L550 HydrophobicContact CG1-CD2 4.48Å; L535-L550 HydrophobicContact CD1-CD2 4.06Å; L535-L550 HydrophobicContact CG-CD2 4.28Å; L546-L550 HydrophobicContact CD1-CD1 4.03Å; L546-L550 HydrophobicContact CD1-CD2 4.41Å; L546-L550 HydrophobicContact CD1-CG 3.91Å; L546-L550 HydrophobicContact CG-CD1 3.98Å; L546-L550 HydrophobicContact CG-CG 4.34Å; L546-L550 WeakPolarHBondContact O-CG 3.13Å; L546-L550 PolarHBondContact O-N 3.24Å; L550-S552 PolarHBondContact O-N 3.32Å; L550-H553 PolarHBondContact O-N 3.09Å
551	S	68.2	Low	59.1	Low	77 Å²	77	80.9 Å²	80.9	54%	0.538	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.4	174.2	61.8	0	0	0	0	114.6	R547 R548 H549	R547-S551 PolarHBondContact O-N 2.81Å; R548-S551 PolarHBondContact O-OG 3.33Å; H549-S551 PolarHBondContact O-N 3.21Å
552	S	66.4	Low	56.5	Low	16 Å²	16	86.5 Å²	86.5	11%	0.112	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-6.3	176.4	61.5	0	0	0	0	115	H549 L550 Y609 R613	H549-S552 PolarHBondContact O-N 3.32Å; H549-S552 PolarHBondContact O-OG 3.12Å; L550-S552 PolarHBondContact O-N 3.32Å; S552-Y609 PolarHBondContact O-OH 3.02Å; S552-R613 PolarHBondContact OG-NH1 2.88Å
553	H	56.2	Low	53.9	Low	62 Å²	62	89.4 Å²	89.4	29%	0.287	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-34	170.4	-69.3	-69.2	0	0	0	112.3	L535 H549 L550 A555	L535-H553 HydrophobicContact CD1-CB 3.55Å; H549-H553 AromaticContact CD2-NE2 3.82Å; H549-H553 AromaticContact CE1-NE2 3.36Å; H549-H553 PolarHBondContact CE1-NE2 2.89Å; H549-H553 AromaticContact NE2-CD2 3.83Å; H549-H553 AromaticContact NE2-CE1 3.96Å; H549-H553 AromaticContact NE2-NE2 2.99Å; H549-H553 PolarHBondContact NE2-NE2 3.4Å; L550-H553 PolarHBondContact O-N 3.09Å; H553-A555 PolarHBondContact O-N 3.44Å
554	R	44.2	Very low	51.2	Low	216 Å²	216	94.4 Å²	94.4	82%	0.815	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	20.6	179.2	-62.4	-172	175.5	-152	-4.2	114.7
555	A	37.2	Very low	48.6	Very low	61 Å²	61	98.9 Å²	98.9	50%	0.504	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-17.2	-168.7	0	0	0	0	0	114.8	H553	H553-A555 PolarHBondContact O-N 3.44Å
556	W	26.8	Very low	46.1	Very low	135 Å²	135	101.7 Å²	101.7	51%	0.511	57%	0.572	S	S	.	*			trans	-150.9	120.6	-178.7	-70.5	92.5	0	0	0	109.9
557	P	29.8	Very low	43.5	Very low	107 Å²	107	104.7 Å²	104.7	70%	0.695	60%	0.595	S	S	*	*			trans	-63.9	149.3	158.3	-13.6	28.9	0	0	0	109.4	V559	P557-V559 PolarHBondContact O-N 3.36Å
558	P	29.5	Very low	41.2	Very low	99 Å²	99	104.4 Å²	104.4	64%	0.643	60%	0.603	S	S	*	*			trans	-66.7	126.3	164.1	29.3	-31.8	0	0	0	108.8	S560	P558-S560 PolarHBondContact O-N 2.59Å
559	V	30.6	Very low	39	Very low	129 Å²	129	99.4 Å²	99.4	78%	0.782	60%	0.603	S	S	*	*			trans	-70.8	104.4	166	179.7	0	0	0	0	107.4	P557	P557-V559 PolarHBondContact O-N 3.36Å
560	S	31.3	Very low	37	Very low	89 Å²	89	106.5 Å²	106.5	62%	0.622	64%	0.636	S	S	*	*			trans	-83.3	143.3	160.9	-64.8	0	0	0	0	108.6	P558	P558-S560 PolarHBondContact O-N 2.59Å
561	S	28.6	Very low	35.4	Very low	105 Å²	105	110.7 Å²	110.7	73%	0.734	65%	0.654	S	S	*	*			trans	-56.6	132	-179.1	45.8	0	0	0	0	113.6
562	V	29.1	Very low	33.7	Very low	151 Å²	151	113.2 Å²	113.2	92%	0.915	66%	0.661	S	S	*	*			trans	-115.3	127.4	140.2	178.9	0	0	0	0	106
563	T	28	Very low	32	Very low	118 Å²	118	117.1 Å²	117.1	72%	0.724	69%	0.688	S	S	*	*			trans	-90.1	153.7	-171.9	34.7	0	0	0	0	112.8
564	T	25.8	Very low	30.8	Very low	141 Å²	141	120.9 Å²	120.9	87%	0.865	71%	0.706	S	S	*	*			trans	-68.9	125.3	178.6	46	0	0	0	0	113
565	T	27.2	Very low	30.1	Very low	140 Å²	140	115 Å²	115	86%	0.859	69%	0.689	S	S	*	*			trans	-150.4	151.4	160	49.4	0	0	0	0	107.5
566	A	29.8	Very low	29.9	Very low	92 Å²	92	118.3 Å²	118.3	76%	0.76	70%	0.702	S	S	*	*			cis	-137.4	146.2	-12.4	0	0	0	0	0	108.4
567	S	30.4	Very low	30.2	Very low	91 Å²	91	116.3 Å²	116.3	64%	0.636	71%	0.707	S	S	*	*	S	Bend		-178.6	148.7	94.9	34.9	0	0	0	0	107.6
568	N	31.4	Very low	30.2	Very low	126 Å²	126	118.7 Å²	118.7	67%	0.674	71%	0.706	S	S	*	*			cis	-129.1	164.8	-6.3	-63.2	-65.6	0	0	0	108
569	G	29.4	Very low	30.2	Very low	59 Å²	59	119.5 Å²	119.5	61%	0.608	71%	0.705	S	S	*	*			cis	176.5	-175.2	-2	0	0	0	0	0	110.9
570	H	32.7	Very low	30.1	Very low	167 Å²	167	118.2 Å²	118.2	77%	0.773	70%	0.698	S	S	*	*			trans	70.4	117.9	171	-65.5	-69.3	0	0	0	120.9
571	H	31.8	Very low	29.9	Very low	144 Å²	144	119.6 Å²	119.6	67%	0.667	69%	0.694	S	S	*	*			trans	54.7	141.6	136.5	-55	-56.4	0	0	0	121.9
572	D	30.5	Very low	29.8	Very low	130 Å²	130	120.4 Å²	120.4	70%	0.695	70%	0.695	S	S	*	*			cis	-161.6	169.6	-13.9	-96.6	-21.1	0	0	0	108.1
573	S	31.3	Very low	29.8	Very low	97 Å²	97	118.8 Å²	118.8	68%	0.678	69%	0.685	S	S	*	*			trans	32.7	147.7	154.7	-74	0	0	0	0	123.2
574	E	30.8	Very low	29.7	Very low	142 Å²	142	119.4 Å²	119.4	66%	0.664	69%	0.689	S	S	*	*			cis	-165.2	164.7	-8	-116.5	166.2	114.9	0	0	110.3
575	M	29.3	Very low	29.7	Very low	91 Å²	91	120 Å²	120	45%	0.448	69%	0.686	S	S	.	*			trans	27.4	125.5	151.3	-60.4	-172.7	-160.5	0	0	122.1	N261	N261-M575 HydrophobicContact CB-CE 4.34Å; N261-M575 WeakPolarHBondContact OD1-CE 3.48Å; N261-M575 PolarHBondContact OD1-SD 2.89Å
576	V	32.8	Very low	29.6	Very low	131 Å²	131	118.6 Å²	118.6	79%	0.794	68%	0.683	S	S	*	*				72.6	131.7	61.1	166.6	0	0	0	0	113.2
577	P	33.1	Very low	29.4	Very low	93 Å²	93	120.1 Å²	120.1	60%	0.604	68%	0.683	S	S	*	*			cis	-151.1	-163.7	-21.2	43.8	-23.1	0	0	0	116.7
578	K	30.6	Very low	29.3	Very low	158 Å²	158	121 Å²	121	69%	0.687	69%	0.688	S	S	*	*			trans	82.7	129.8	144.8	-81.2	177.9	-175.4	177	0	122.4
579	N	28.9	Very low	28.8	Very low	116 Å²	116	120.2 Å²	120.2	62%	0.62	69%	0.692	S	S	*	*			trans	90.7	98.3	136.5	-72.8	25.7	0	0	0	123.5
580	T	29.1	Very low	28.7	Very low	101 Å²	101	128.1 Å²	128.1	62%	0.62	70%	0.703	S	S	*	*				99.6	121.4	107	-59.2	0	0	0	0	121.2
581	E	26.4	Very low	28.4	Very low	118 Å²	118	128 Å²	128	55%	0.551	70%	0.703	S	S	*	*			trans	79.4	100	149.9	-78.9	155.9	-140.7	0	0	124.5	F252	F252-E581 WeakPolarHBondContact CD1-OE1 3.3Å; F252-E581 WeakPolarHBondContact CE1-OE1 3.26Å
582	V	27.8	Very low	28.3	Very low	123 Å²	123	127.7 Å²	127.7	75%	0.745	71%	0.711	S	S	*	*				81.5	102.3	111.2	169.8	0	0	0	0	121.4
583	V	28.5	Very low	28.2	Very low	117 Å²	117	126 Å²	126	71%	0.709	71%	0.709	S	S	*	*				62.7	113.4	128.9	-176.2	0	0	0	0	120.4
584	T	26.4	Very low	28.5	Very low	131 Å²	131	125.1 Å²	125.1	80%	0.804	70%	0.701	S	S	*	*				-160.3	162.3	109.2	10.2	0	0	0	0	113.9
585	N	24.8	Very low	29	Very low	152 Å²	152	124.9 Å²	124.9	81%	0.813	70%	0.698	S	S	*	*			trans	-52.1	130.3	-172.3	-52.6	-45	0	0	0	116.2
586	S	24.9	Very low	30.2	Very low	112 Å²	112	123.2 Å²	123.2	78%	0.783	69%	0.693	S	S	*	*				-170.7	171.6	123.5	53.8	0	0	0	0	113.4
587	T	26.3	Very low	31.7	Very low	124 Å²	124	121 Å²	121	76%	0.761	67%	0.671	S	S	*	*			trans	-10.6	154.1	169	41.3	0	0	0	0	123.1
588	S	28.2	Very low	33	Very low	108 Å²	108	120.6 Å²	120.6	76%	0.755	66%	0.662	S	S	*	*			trans	65.3	87.1	152.2	53.7	0	0	0	0	119.6
589	C	21.3	Very low	34.8	Very low	111 Å²	111	113 Å²	113	75%	0.75	63%	0.629	S	S	*	*				21.5	116.8	121	-172.4	0	0	0	0	118.5
590	R	26.3	Very low	35.9	Very low	224 Å²	224	115.9 Å²	115.9	85%	0.845	63%	0.631	S	S	*	*			trans	-151.7	106.6	137	-107.7	155.2	-158.8	-161.1	5.3	113.4
591	H	27.1	Very low	37.3	Very low	164 Å²	164	114.3 Å²	114.3	76%	0.759	62%	0.616	S	S	*	*			trans	62.9	58.9	140.7	-52.5	177.9	0	0	0	119.2
592	V	29.1	Very low	39.4	Very low	138 Å²	138	110.6 Å²	110.6	84%	0.836	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-79.7	121.7	138.1	178.2	0	0	0	0	106.7
593	S	29.5	Very low	41.4	Very low	94 Å²	94	110.3 Å²	110.3	66%	0.657	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-51.5	130.4	-176.9	57.5	0	0	0	0	111.2	K595	S593-K595 PolarHBondContact O-N 3.05Å
594	P	37.3	Very low	43.6	Very low	79 Å²	79	109.8 Å²	109.8	51%	0.513	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-59.4	131.7	-175.8	24.4	-33.6	0	0	0	109.7	T596 E607	P594-T596 HydrophobicContact CG-CG2 4.45Å; P594-T596 PolarHBondContact O-N 3.45Å; P594-E607 HydrophobicContact CB-CB 4.44Å
595	K	42.2	Very low	46.2	Very low	137 Å²	137	111.7 Å²	111.7	60%	0.596	58%	0.579	S	S	*	*			trans	-66.3	87.4	172.3	-78	-168.6	173.3	-170.4	0	108.4	S593 W597	S593-K595 PolarHBondContact O-N 3.05Å; K595-W597 PolarHBondContact O-N 3.04Å; K595-W597 PolarHBondContact O-NE1 2.9Å
596	T	53.6	Low	48.9	Very low	57 Å²	57	106 Å²	106	35%	0.35	55%	0.547	S	S	.	.			trans	-67.7	107.3	-175	54.8	0	0	0	0	110.6	P594 I598 R605 F606	P594-T596 HydrophobicContact CG-CG2 4.45Å; P594-T596 PolarHBondContact O-N 3.45Å; T596-I598 PolarHBondContact O-N 3.38Å; T596-R605 HydrophobicContact CG2-CB 4.48Å; T596-F606 CarbonylContact C-O 3.57Å; T596-F606 WeakPolarHBondContact CA-O 3.5Å
597	W	63.7	Low	50.9	Low	85 Å²	85	106.7 Å²	106.7	32%	0.322	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	102.8	174.6	-64.2	87.5	0	0	0	108.9	K595 F606 Y609 L612	K595-W597 PolarHBondContact O-N 3.04Å; K595-W597 PolarHBondContact O-NE1 2.9Å; W597-F606 HydrophobicContact CB-CB 4.29Å; W597-F606 WeakPolarHBondContact CB-O 3.45Å; W597-F606 PolarHBondContact N-O 3.31Å; W597-F606 WeakPolarHBondContact O-CD2 3.38Å; W597-F606 PolarHBondContact O-N 2.82Å; W597-Y609 VanDerWaalsContact CD1-N 3.3Å; W597-Y609 HydrophobicContact CD2-CD2 4.24Å; W597-Y609 AromaticContact CE3-CD2 3.79Å; W597-Y609 HydrophobicContact CE3-CD2 3.79Å; W597-Y609 HydrophobicContact CE3-CG 4.4Å; W597-Y609 HydrophobicContact CH2-CD2 4.36Å; W597-Y609 HydrophobicContact CH2-CG 4.37Å; W597-Y609 AromaticContact CZ3-CD2 3.85Å; W597-Y609 HydrophobicContact CZ3-CD2 3.85Å; W597-Y609 HydrophobicContact CZ3-CE2 4.46Å; W597-Y609 HydrophobicContact CZ3-CG 4.31Å; W597-L612 HydrophobicContact CB-CB 3.63Å; W597-L612 HydrophobicContact CB-CD2 3.69Å; W597-L612 HydrophobicContact CB-CG 4.13Å; W597-L612 HydrophobicContact CD2-CD2 4.49Å; W597-L612 HydrophobicContact CE3-CD2 3.98Å; W597-L612 HydrophobicContact CG-CB 4.38Å; W597-L612 HydrophobicContact CG-CD2 4.42Å
598	I	61.5	Low	52.6	Low	83 Å²	83	103.4 Å²	103.4	43%	0.426	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	132.7	-178.8	-47.6	-174.3	0	0	0	109.8	T596 R600 D603 R605	T596-I598 PolarHBondContact O-N 3.38Å; I598-R600 PolarHBondContact O-N 2.88Å; I598-D603 HydrophobicContact CG2-CB 4.43Å; I598-R605 HydrophobicContact CG1-CG 4.31Å
599	C	68.6	Low	54.1	Low	0 Å²	0	101.6 Å²	101.6	0%	0	50%	0.495	C	S	.	.			trans	-88.8	105	173.4	-165.1	0	0	0	0	112.7	F601 C602 D603 Q604 F606 L612 H615 H619	C599-F601 PolarHBondContact O-N 2.98Å; C599-C602 PolarHBondContact O-N 3.39Å; C599-D603 WeakPolarHBondContact O-CA 3.46Å; C599-D603 PolarHBondContact O-N 2.66Å; C599-Q604 PolarHBondContact N-O 2.94Å; C599-F606 HydrophobicContact CB-CE2 4.08Å; C599-L612 HydrophobicContact CB-CD1 3.53Å; C599-H615 WeakPolarHBondContact CB-CD2 3.32Å; C599-H615 WeakPolarHBondContact CB-NE2 3.37Å; C599-H615 PolarHBondContact SG-CD2 2.8Å; C599-H615 PolarHBondContact SG-NE2 3.21Å; C599-H615 VanDerWaalsContact SG-NE2 3.42Å; C599-H619 PolarHBondContact SG-CD2 3.13Å
600	R	52.5	Low	56.2	Low	175 Å²	175	100.9 Å²	100.9	66%	0.66	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	10.3	174.2	71.3	170.1	-157.6	176.6	9.9	118.1	I598	I598-R600 PolarHBondContact O-N 2.88Å
601	F	56.6	Low	58.5	Low	69 Å²	69	93.7 Å²	93.7	30%	0.303	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-21.1	177.8	-64.3	-61.1	0	0	0	112.9	C599 H619 V624 S635	C599-F601 PolarHBondContact O-N 2.98Å; F601-H619 VanDerWaalsContact CB-CE1 3.49Å; F601-H619 WeakPolarHBondContact CB-CE1 3.32Å; F601-H619 HydrophobicContact CD2-CB 3.87Å; F601-H619 AromaticContact CD2-CD2 3.96Å; F601-H619 AromaticContact CD2-CG 3.82Å; F601-H619 HydrophobicContact CE2-CB 4.32Å; F601-H619 HydrophobicContact CG-CB 4.43Å; F601-V624 HydrophobicContact CB-CG2 4.39Å; F601-S635 PolarHBondContact O-OG 3.34Å
602	C	71.2	Confident	60.6	Low	40 Å²	40	86.3 Å²	86.3	27%	0.27	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-163.2	28.1	174.9	70.4	0	0	0	0	113.8	C599 Q604 H615 H619	C599-C602 PolarHBondContact O-N 3.39Å; C602-Q604 PolarHBondContact O-N 3.3Å; C602-H615 PolarHBondContact SG-CE1 2.81Å; C602-H619 PolarHBondContact SG-CE1 3.45Å; C602-H619 PolarHBondContact SG-NE2 3.05Å; C602-H619 VanDerWaalsContact SG-NE2 3.4Å
603	D	70	Confident	62.1	Low	117 Å²	117	83.8 Å²	83.8	63%	0.626	40%	0.4	S	S	*	.			trans	48.8	10.2	172.8	-53.5	-38.9	0	0	0	119.1	I598 C599 R605	I598-D603 HydrophobicContact CG2-CB 4.43Å; C599-D603 WeakPolarHBondContact O-CA 3.46Å; C599-D603 PolarHBondContact O-N 2.66Å; D603-R605 PolarHBondContact O-N 2.79Å
604	Q	75.5	Confident	64	Low	105 Å²	105	81.8 Å²	81.8	49%	0.491	39%	0.389	S	S	.	.			trans	-58.7	131.3	171.1	-70.3	-166.4	-26.8	0	0	110.3	C599 C602 F606 H615	C599-Q604 PolarHBondContact N-O 2.94Å; C602-Q604 PolarHBondContact O-N 3.3Å; Q604-F606 HydrophobicContact CB-CE1 4.46Å; Q604-F606 HydrophobicContact CB-CE2 3.57Å; Q604-F606 HydrophobicContact CB-CZ 3.45Å; Q604-F606 VanDerWaalsContact CB-CZ 3.45Å; Q604-F606 HydrophobicContact CG-CZ 4.49Å; Q604-F606 WeakPolarHBondContact O-CD2 3.41Å; Q604-F606 WeakPolarHBondContact O-CE2 3.43Å; Q604-H615 PolarHBondContact OE1-CE1 2.84Å; Q604-H615 PolarHBondContact OE1-ND1 2.93Å
605	R	81.1	Confident	65.7	Low	172 Å²	172	78.8 Å²	78.8	65%	0.649	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	139.4	178.1	-59.6	-168.1	179.4	-153.1	3.4	109.8	T596 I598 D603	T596-R605 HydrophobicContact CG2-CB 4.48Å; I598-R605 HydrophobicContact CG1-CG 4.31Å; D603-R605 PolarHBondContact O-N 2.79Å
606	F	79.8	Confident	66.2	Low	32 Å²	32	73.9 Å²	73.9	14%	0.14	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.8	178.8	-60.5	-73.8	0	0	0	110.5	T596 W597 C599 Q604 T608 Q611 L612 H615	T596-F606 CarbonylContact C-O 3.57Å; T596-F606 WeakPolarHBondContact CA-O 3.5Å; W597-F606 HydrophobicContact CB-CB 4.29Å; W597-F606 WeakPolarHBondContact CB-O 3.45Å; W597-F606 PolarHBondContact N-O 3.31Å; W597-F606 WeakPolarHBondContact O-CD2 3.38Å; W597-F606 PolarHBondContact O-N 2.82Å; C599-F606 HydrophobicContact CB-CE2 4.08Å; Q604-F606 HydrophobicContact CB-CE1 4.46Å; Q604-F606 HydrophobicContact CB-CE2 3.57Å; Q604-F606 HydrophobicContact CB-CZ 3.45Å; Q604-F606 VanDerWaalsContact CB-CZ 3.45Å; Q604-F606 HydrophobicContact CG-CZ 4.49Å; Q604-F606 WeakPolarHBondContact O-CD2 3.41Å; Q604-F606 WeakPolarHBondContact O-CE2 3.43Å; F606-T608 PolarHBondContact O-N 3.07Å; F606-Q611 HydrophobicContact CB-CB 3.75Å; F606-Q611 HydrophobicContact CD1-CB 3.76Å; F606-Q611 HydrophobicContact CG-CB 4.03Å; F606-L612 HydrophobicContact CB-CB 4.11Å; F606-L612 HydrophobicContact CD2-CB 4.01Å; F606-L612 HydrophobicContact CD2-CD1 3.76Å; F606-L612 HydrophobicContact CE2-CD1 4.19Å; F606-L612 HydrophobicContact CG-CB 4.28Å; F606-H615 HydrophobicContact CD2-CB 4.46Å; F606-H615 HydrophobicContact CE1-CB 4.02Å; F606-H615 HydrophobicContact CE2-CB 3.78Å; F606-H615 AromaticContact CE2-CD2 3.29Å; F606-H615 WeakPolarHBondContact CE2-CD2 3.38Å; F606-H615 AromaticContact CE2-CG 3.41Å; F606-H615 VanDerWaalsContact CE2-CG 3.41Å; F606-H615 AromaticContact CE2-ND1 3.88Å; F606-H615 AromaticContact CE2-NE2 3.68Å; F606-H615 HydrophobicContact CZ-CB 3.54Å; F606-H615 AromaticContact CZ-CD2 3.57Å; F606-H615 AromaticContact CZ-CE1 3.68Å; F606-H615 AromaticContact CZ-CG 3.2Å; F606-H615 AromaticContact CZ-ND1 3.3Å; F606-H615 VanDerWaalsContact CZ-ND1 3.3Å; F606-H615 WeakPolarHBondContact CZ-ND1 3.29Å; F606-H615 AromaticContact CZ-NE2 3.85Å
607	E	68.8	Low	66.3	Low	126 Å²	126	74 Å²	74	59%	0.589	35%	0.349	S	S	*	.	S	Bend	trans	-67.7	-27.3	-179	-55.5	154.3	140.7	0	0	111.5	P594 Q611	P594-E607 HydrophobicContact CB-CB 4.44Å; E607-Q611 PolarHBondContact OE2-NE2 3.34Å
608	T	61.8	Low	65.9	Low	55 Å²	55	74.7 Å²	74.7	34%	0.337	36%	0.356	S	S	.	.	S	Bend	trans	-128.1	150.4	-179.3	71.8	0	0	0	0	113.4	F606 I610 Q611 L612	F606-T608 PolarHBondContact O-N 3.07Å; T608-I610 PolarHBondContact O-N 3.06Å; T608-I610 VanDerWaalsContact O-N 3.16Å; T608-I610 PolarHBondContact OG1-N 3.15Å; T608-Q611 PolarHBondContact O-N 3.22Å; T608-Q611 WeakPolarHBondContact OG1-CG 3.37Å; T608-Q611 PolarHBondContact OG1-N 2.86Å; T608-Q611 VanDerWaalsContact OG1-N 3.12Å; T608-Q611 PolarHBondContact OG1-OE1 3.48Å; T608-L612 PolarHBondContact O-N 2.92Å
609	Y	58.1	Low	65.6	Low	71 Å²	71	72 Å²	72	28%	0.278	34%	0.341	S	S	.	.	H	α-helix	trans	-61.7	-19.9	169.6	-176.8	-128.7	0	0	0	112.6	S552 W597 L612 R613	S552-Y609 PolarHBondContact O-OH 3.02Å; W597-Y609 VanDerWaalsContact CD1-N 3.3Å; W597-Y609 HydrophobicContact CD2-CD2 4.24Å; W597-Y609 AromaticContact CE3-CD2 3.79Å; W597-Y609 HydrophobicContact CE3-CD2 3.79Å; W597-Y609 HydrophobicContact CE3-CG 4.4Å; W597-Y609 HydrophobicContact CH2-CD2 4.36Å; W597-Y609 HydrophobicContact CH2-CG 4.37Å; W597-Y609 AromaticContact CZ3-CD2 3.85Å; W597-Y609 HydrophobicContact CZ3-CD2 3.85Å; W597-Y609 HydrophobicContact CZ3-CE2 4.46Å; W597-Y609 HydrophobicContact CZ3-CG 4.31Å; Y609-L612 HydrophobicContact CD2-CD2 4.34Å; Y609-R613 WeakPolarHBondContact O-CB 3.43Å; Y609-R613 PolarHBondContact O-N 2.84Å
610	I	66.7	Low	64.4	Low	96 Å²	96	79.5 Å²	79.5	49%	0.492	37%	0.374	S	S	.	.	H	α-helix	trans	-69.4	-51.8	174.2	-49.5	178.3	0	0	0	109.6	T608 R613 A614	T608-I610 PolarHBondContact O-N 3.06Å; T608-I610 VanDerWaalsContact O-N 3.16Å; T608-I610 PolarHBondContact OG1-N 3.15Å; I610-R613 PolarHBondContact O-N 2.73Å; I610-A614 WeakPolarHBondContact O-CB 3.28Å; I610-A614 PolarHBondContact O-N 3.17Å
611	Q	74.5	Confident	63.8	Low	73 Å²	73	76.8 Å²	76.8	34%	0.341	37%	0.372	S	S	.	.	H	α-helix	trans	-58.3	-49.4	174.6	-72.1	162.7	-17	0	0	110.6	F606 E607 T608 R613 A614 H615	F606-Q611 HydrophobicContact CB-CB 3.75Å; F606-Q611 HydrophobicContact CD1-CB 3.76Å; F606-Q611 HydrophobicContact CG-CB 4.03Å; E607-Q611 PolarHBondContact OE2-NE2 3.34Å; T608-Q611 PolarHBondContact O-N 3.22Å; T608-Q611 WeakPolarHBondContact OG1-CG 3.37Å; T608-Q611 PolarHBondContact OG1-N 2.86Å; T608-Q611 VanDerWaalsContact OG1-N 3.12Å; T608-Q611 PolarHBondContact OG1-OE1 3.48Å; Q611-R613 VanDerWaalsContact C-N 3.3Å; Q611-R613 PolarHBondContact O-N 3.19Å; Q611-A614 PolarHBondContact O-N 2.82Å; Q611-H615 WeakPolarHBondContact O-CB 3.32Å; Q611-H615 PolarHBondContact O-N 3.04Å
612	L	70.8	Confident	63	Low	9 Å²	9	78.8 Å²	78.8	5%	0.047	38%	0.381	C	S	.	.	H	α-helix	trans	-58	-42	175	176.1	66.5	0	0	0	111.4	W597 C599 F606 T608 Y609 H615 I616	W597-L612 HydrophobicContact CB-CB 3.63Å; W597-L612 HydrophobicContact CB-CD2 3.69Å; W597-L612 HydrophobicContact CB-CG 4.13Å; W597-L612 HydrophobicContact CD2-CD2 4.49Å; W597-L612 HydrophobicContact CE3-CD2 3.98Å; W597-L612 HydrophobicContact CG-CB 4.38Å; W597-L612 HydrophobicContact CG-CD2 4.42Å; C599-L612 HydrophobicContact CB-CD1 3.53Å; F606-L612 HydrophobicContact CB-CB 4.11Å; F606-L612 HydrophobicContact CD2-CB 4.01Å; F606-L612 HydrophobicContact CD2-CD1 3.76Å; F606-L612 HydrophobicContact CE2-CD1 4.19Å; F606-L612 HydrophobicContact CG-CB 4.28Å; T608-L612 PolarHBondContact O-N 2.92Å; Y609-L612 HydrophobicContact CD2-CD2 4.34Å; L612-H615 CarbonylContact O-C 3.56Å; L612-H615 PolarHBondContact O-N 3.07Å; L612-I616 HydrophobicContact CD1-CD1 3.78Å; L612-I616 HydrophobicContact CD1-CG1 3.95Å; L612-I616 HydrophobicContact CD2-CD1 3.99Å; L612-I616 HydrophobicContact CG-CD1 3.69Å; L612-I616 HydrophobicContact CG-CG1 4.2Å; L612-I616 WeakPolarHBondContact O-CB 3.23Å; L612-I616 WeakPolarHBondContact O-CG1 3.37Å; L612-I616 PolarHBondContact O-N 3.43Å
613	R	60.9	Low	61.4	Low	85 Å²	85	81 Å²	81	32%	0.321	39%	0.387	S	S	.	.	H	α-helix	trans	-69.3	-38	-179.3	-177.6	175.7	179.9	144.5	0.4	112.4	S552 Y609 I610 Q611 H615 I616 V617	S552-R613 PolarHBondContact OG-NH1 2.88Å; Y609-R613 WeakPolarHBondContact O-CB 3.43Å; Y609-R613 PolarHBondContact O-N 2.84Å; I610-R613 PolarHBondContact O-N 2.73Å; Q611-R613 VanDerWaalsContact C-N 3.3Å; Q611-R613 PolarHBondContact O-N 3.19Å; R613-H615 VanDerWaalsContact C-N 3.34Å; R613-I616 PolarHBondContact O-N 2.81Å; R613-V617 WeakPolarHBondContact O-CG2 3.27Å; R613-V617 PolarHBondContact O-N 2.95Å
614	A	68.3	Low	60.1	Low	51 Å²	51	77.8 Å²	77.8	42%	0.421	37%	0.372	S	S	.	.	H	α-helix	trans	-63.5	-42.2	172.4	0	0	0	0	0	110.8	I610 Q611 V617 H618	I610-A614 WeakPolarHBondContact O-CB 3.28Å; I610-A614 PolarHBondContact O-N 3.17Å; Q611-A614 PolarHBondContact O-N 2.82Å; A614-V617 WeakPolarHBondContact O-CA 3.22Å; A614-V617 WeakPolarHBondContact O-CB 3.48Å; A614-V617 PolarHBondContact O-N 2.73Å; A614-V617 VanDerWaalsContact O-N 3.16Å; A614-H618 PolarHBondContact O-N 2.72Å
615	H	73.6	Confident	58.8	Low	16 Å²	16	73.8 Å²	73.8	7%	0.074	35%	0.352	C	S	.	.	H	α-helix	trans	-67.7	-37.2	174.3	174.7	88.6	0	0	0	113.4	C599 C602 Q604 F606 Q611 L612 R613 V617 H618 H619	C599-H615 WeakPolarHBondContact CB-CD2 3.32Å; C599-H615 WeakPolarHBondContact CB-NE2 3.37Å; C599-H615 PolarHBondContact SG-CD2 2.8Å; C599-H615 PolarHBondContact SG-NE2 3.21Å; C599-H615 VanDerWaalsContact SG-NE2 3.42Å; C602-H615 PolarHBondContact SG-CE1 2.81Å; Q604-H615 PolarHBondContact OE1-CE1 2.84Å; Q604-H615 PolarHBondContact OE1-ND1 2.93Å; F606-H615 HydrophobicContact CD2-CB 4.46Å; F606-H615 HydrophobicContact CE1-CB 4.02Å; F606-H615 HydrophobicContact CE2-CB 3.78Å; F606-H615 AromaticContact CE2-CD2 3.29Å; F606-H615 WeakPolarHBondContact CE2-CD2 3.38Å; F606-H615 AromaticContact CE2-CG 3.41Å; F606-H615 VanDerWaalsContact CE2-CG 3.41Å; F606-H615 AromaticContact CE2-ND1 3.88Å; F606-H615 AromaticContact CE2-NE2 3.68Å; F606-H615 HydrophobicContact CZ-CB 3.54Å; F606-H615 AromaticContact CZ-CD2 3.57Å; F606-H615 AromaticContact CZ-CE1 3.68Å; F606-H615 AromaticContact CZ-CG 3.2Å; F606-H615 AromaticContact CZ-ND1 3.3Å; F606-H615 VanDerWaalsContact CZ-ND1 3.3Å; F606-H615 WeakPolarHBondContact CZ-ND1 3.29Å; F606-H615 AromaticContact CZ-NE2 3.85Å; Q611-H615 WeakPolarHBondContact O-CB 3.32Å; Q611-H615 PolarHBondContact O-N 3.04Å; L612-H615 CarbonylContact O-C 3.56Å; L612-H615 PolarHBondContact O-N 3.07Å; R613-H615 VanDerWaalsContact C-N 3.34Å; H615-V617 VanDerWaalsContact C-N 3.26Å; H615-V617 PolarHBondContact O-N 3.3Å; H615-H618 CarbonylContact O-C 3.46Å; H615-H618 WeakPolarHBondContact O-CA 3.44Å; H615-H618 VanDerWaalsContact O-CB 3.29Å; H615-H618 WeakPolarHBondContact O-CB 3.24Å; H615-H618 PolarHBondContact O-N 3.37Å; H615-H619 AromaticContact CD2-CD2 3.56Å; H615-H619 AromaticContact CD2-NE2 3.53Å; H615-H619 AromaticContact CE1-NE2 3.35Å; H615-H619 PolarHBondContact CE1-NE2 3.05Å; H615-H619 VanDerWaalsContact CE1-NE2 3.35Å; H615-H619 AromaticContact NE2-CD2 3.41Å; H615-H619 PolarHBondContact NE2-CD2 3.09Å; H615-H619 AromaticContact NE2-NE2 2.85Å; H615-H619 PolarHBondContact NE2-NE2 2.72Å; H615-H619 PolarHBondContact O-CD2 2.89Å; H615-H619 VanDerWaalsContact O-CD2 3.24Å; H615-H619 PolarHBondContact O-N 3.42Å
616	I	53.1	Low	57.3	Low	34 Å²	34	68.4 Å²	68.4	17%	0.174	35%	0.345	C	S	.	.	H	α-helix	trans	-68.9	-24.6	171.1	-73.4	175.8	0	0	0	111.6	L612 R613 H619 K620	L612-I616 HydrophobicContact CD1-CD1 3.78Å; L612-I616 HydrophobicContact CD1-CG1 3.95Å; L612-I616 HydrophobicContact CD2-CD1 3.99Å; L612-I616 HydrophobicContact CG-CD1 3.69Å; L612-I616 HydrophobicContact CG-CG1 4.2Å; L612-I616 WeakPolarHBondContact O-CB 3.23Å; L612-I616 WeakPolarHBondContact O-CG1 3.37Å; L612-I616 PolarHBondContact O-N 3.43Å; R613-I616 PolarHBondContact O-N 2.81Å; I616-H619 CarbonylContact O-C 3.6Å; I616-H619 PolarHBondContact O-N 2.69Å; I616-K620 WeakPolarHBondContact O-CG 3.5Å; I616-K620 PolarHBondContact O-N 2.75Å; I616-K620 VanDerWaalsContact O-N 3.12Å
617	V	55.6	Low	56.3	Low	61 Å²	61	67.7 Å²	67.7	37%	0.37	34%	0.344	S	S	.	.	H	α-helix	trans	-69.2	-41.4	166	167.7	0	0	0	0	110.1	R613 A614 H615 H619 K620 D621	R613-V617 WeakPolarHBondContact O-CG2 3.27Å; R613-V617 PolarHBondContact O-N 2.95Å; A614-V617 WeakPolarHBondContact O-CA 3.22Å; A614-V617 WeakPolarHBondContact O-CB 3.48Å; A614-V617 PolarHBondContact O-N 2.73Å; A614-V617 VanDerWaalsContact O-N 3.16Å; H615-V617 VanDerWaalsContact C-N 3.26Å; H615-V617 PolarHBondContact O-N 3.3Å; V617-H619 PolarHBondContact O-N 3.32Å; V617-K620 WeakPolarHBondContact O-CA 3.41Å; V617-K620 WeakPolarHBondContact O-CB 3.45Å; V617-K620 PolarHBondContact O-N 2.91Å; V617-D621 WeakPolarHBondContact CG1-OD2 3.19Å; V617-D621 PolarHBondContact O-N 3.3Å
618	H	55.8	Low	55.2	Low	99 Å²	99	65.4 Å²	65.4	46%	0.458	34%	0.338	S	S	.	.	H	α-helix	trans	-57.8	-31	168.2	-64.1	-36.5	0	0	0	113.5	A614 H615 K622	A614-H618 PolarHBondContact O-N 2.72Å; H615-H618 CarbonylContact O-C 3.46Å; H615-H618 WeakPolarHBondContact O-CA 3.44Å; H615-H618 VanDerWaalsContact O-CB 3.29Å; H615-H618 WeakPolarHBondContact O-CB 3.24Å; H615-H618 PolarHBondContact O-N 3.37Å; H618-K622 HydrophobicContact CB-CD 4.4Å; H618-K622 WeakPolarHBondContact O-CA 3.47Å; H618-K622 WeakPolarHBondContact O-CB 3.23Å; H618-K622 VanDerWaalsContact O-CG 3.28Å; H618-K622 WeakPolarHBondContact O-CG 3.31Å; H618-K622 PolarHBondContact O-N 2.95Å
619	H	55.1	Low	54.8	Low	26 Å²	26	66.3 Å²	66.3	12%	0.12	34%	0.337	C	S	.	.	H	α-helix	trans	-80.4	-7.6	170.9	-70.3	-67.7	0	0	0	115.5	C599 F601 C602 H615 I616 V617 K622 V624	C599-H619 PolarHBondContact SG-CD2 3.13Å; F601-H619 VanDerWaalsContact CB-CE1 3.49Å; F601-H619 WeakPolarHBondContact CB-CE1 3.32Å; F601-H619 HydrophobicContact CD2-CB 3.87Å; F601-H619 AromaticContact CD2-CD2 3.96Å; F601-H619 AromaticContact CD2-CG 3.82Å; F601-H619 HydrophobicContact CE2-CB 4.32Å; F601-H619 HydrophobicContact CG-CB 4.43Å; C602-H619 PolarHBondContact SG-CE1 3.45Å; C602-H619 PolarHBondContact SG-NE2 3.05Å; C602-H619 VanDerWaalsContact SG-NE2 3.4Å; H615-H619 AromaticContact CD2-CD2 3.56Å; H615-H619 AromaticContact CD2-NE2 3.53Å; H615-H619 AromaticContact CE1-NE2 3.35Å; H615-H619 PolarHBondContact CE1-NE2 3.05Å; H615-H619 VanDerWaalsContact CE1-NE2 3.35Å; H615-H619 AromaticContact NE2-CD2 3.41Å; H615-H619 PolarHBondContact NE2-CD2 3.09Å; H615-H619 AromaticContact NE2-NE2 2.85Å; H615-H619 PolarHBondContact NE2-NE2 2.72Å; H615-H619 PolarHBondContact O-CD2 2.89Å; H615-H619 VanDerWaalsContact O-CD2 3.24Å; H615-H619 PolarHBondContact O-N 3.42Å; I616-H619 CarbonylContact O-C 3.6Å; I616-H619 PolarHBondContact O-N 2.69Å; V617-H619 PolarHBondContact O-N 3.32Å; H619-K622 CarbonylContact C-O 3.55Å; H619-V624 HydrophobicContact CB-CG2 4.14Å; H619-V624 WeakPolarHBondContact ND1-CG2 3.46Å
620	K	41.6	Very low	54	Low	158 Å²	158	68.3 Å²	68.3	69%	0.687	36%	0.362	S	S	*	.	H	α-helix	trans	-92.1	-33.9	169.9	-77	174.9	177.4	175.5	0	111.9	I616 V617	I616-K620 WeakPolarHBondContact O-CG 3.5Å; I616-K620 PolarHBondContact O-N 2.75Å; I616-K620 VanDerWaalsContact O-N 3.12Å; V617-K620 WeakPolarHBondContact O-CA 3.41Å; V617-K620 WeakPolarHBondContact O-CB 3.45Å; V617-K620 PolarHBondContact O-N 2.91Å
621	D	40.4	Very low	53.6	Low	117 Å²	117	70 Å²	70	63%	0.626	37%	0.371	S	S	*	.	H	α-helix	trans	-97.7	-27.2	-174.7	-55.6	-29.1	0	0	0	112.3	V617	V617-D621 WeakPolarHBondContact CG1-OD2 3.19Å; V617-D621 PolarHBondContact O-N 3.3Å
622	K	39.4	Very low	53	Low	111 Å²	111	67.5 Å²	67.5	48%	0.483	36%	0.362	S	S	.	.	S	Bend	trans	-95.1	131.5	162.2	-52	171.9	-176.1	175.5	0	107.8	H618 H619 V624	H618-K622 HydrophobicContact CB-CD 4.4Å; H618-K622 WeakPolarHBondContact O-CA 3.47Å; H618-K622 WeakPolarHBondContact O-CB 3.23Å; H618-K622 VanDerWaalsContact O-CG 3.28Å; H618-K622 WeakPolarHBondContact O-CG 3.31Å; H618-K622 PolarHBondContact O-N 2.95Å; H619-K622 CarbonylContact C-O 3.55Å; K622-V624 PolarHBondContact O-N 2.91Å
623	Q	39.2	Very low	52.5	Low	86 Å²	86	75.1 Å²	75.1	40%	0.402	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-68.2	134.2	170.1	-64.9	-166.6	0.6	0	0	109	Y625	Q623-Y625 HydrophobicContact CB-CD2 4.42Å; Q623-Y625 HydrophobicContact CB-CE1 4.42Å; Q623-Y625 HydrophobicContact CB-CE2 3.76Å; Q623-Y625 WeakPolarHBondContact O-CD2 3.42Å; Q623-Y625 WeakPolarHBondContact O-CE2 3.49Å
624	V	42.3	Very low	52.5	Low	50 Å²	50	73.1 Å²	73.1	30%	0.303	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-87	126.3	168.6	-173.2	0	0	0	0	107.3	F601 H619 K622	F601-V624 HydrophobicContact CB-CG2 4.39Å; H619-V624 HydrophobicContact CB-CG2 4.14Å; H619-V624 WeakPolarHBondContact ND1-CG2 3.46Å; K622-V624 PolarHBondContact O-N 2.91Å
625	Y	48.6	Very low	51.6	Low	21 Å²	21	73 Å²	73	8%	0.082	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	103.3	-176.1	-63.4	-92.6	0	0	0	108	Q623 F636 P639 L642 L678 P679	Q623-Y625 HydrophobicContact CB-CD2 4.42Å; Q623-Y625 HydrophobicContact CB-CE1 4.42Å; Q623-Y625 HydrophobicContact CB-CE2 3.76Å; Q623-Y625 WeakPolarHBondContact O-CD2 3.42Å; Q623-Y625 WeakPolarHBondContact O-CE2 3.49Å; Y625-F636 PolarHBondContact N-O 3.34Å; Y625-F636 WeakPolarHBondContact O-CD2 3.45Å; Y625-F636 PolarHBondContact O-N 2.7Å; Y625-P639 HydrophobicContact CD1-CB 4.22Å; Y625-P639 HydrophobicContact CD2-CB 4.46Å; Y625-P639 HydrophobicContact CE1-CB 3.8Å; Y625-P639 HydrophobicContact CE2-CB 4.07Å; Y625-P639 VanDerWaalsContact CE2-CD 3.42Å; Y625-P639 HydrophobicContact CE2-CG 4.22Å; Y625-L642 HydrophobicContact CD1-CD2 4.39Å; Y625-L678 HydrophobicContact CD1-CD2 3.98Å; Y625-L678 HydrophobicContact CE1-CD2 4.21Å; Y625-P679 HydrophobicContact CE1-CG 4.16Å
626	A	48.5	Very low	51.3	Low	60 Å²	60	74.3 Å²	74.3	50%	0.496	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	156.7	174	0	0	0	0	0	111	L642	A626-L642 WeakPolarHBondContact O-CD1 3.41Å
627	C	58.4	Low	51.1	Low	17 Å²	17	76.3 Å²	76.3	12%	0.115	42%	0.421	C	S	.	.			trans	-62.7	152	165.9	-161.8	0	0	0	0	111	C632 S634 H645 H650	C627-C632 HydrophobicContact CB-CB 3.98Å; C627-S634 PolarHBondContact N-O 3.19Å; C627-H645 PolarHBondContact SG-NE2 3.19Å; C627-H645 VanDerWaalsContact SG-NE2 3.38Å; C627-H650 PolarHBondContact SG-NE2 3.09Å
628	V	47.4	Very low	50.8	Low	77 Å²	77	75.5 Å²	75.5	47%	0.467	42%	0.418	S	S	.	.	S	Bend	trans	-98	-10.5	-179.6	-57.6	0	0	0	0	113.3	L677	V628-L677 HydrophobicContact CG1-CD1 4.27Å; V628-L677 HydrophobicContact CG1-CD2 4.33Å; V628-L677 HydrophobicContact CG2-CD1 3.68Å
629	F	51.8	Low	50.6	Low	75 Å²	75	72.7 Å²	72.7	33%	0.329	41%	0.408	S	S	.	.	S	Bend	trans	-87.9	129.4	178.4	-64.1	-82	0	0	0	109	D631 C632 L646 H650	F629-D631 WeakPolarHBondContact CB-OD1 3.38Å; F629-D631 PolarHBondContact O-N 3.49Å; F629-C632 PolarHBondContact O-N 2.8Å; F629-L646 HydrophobicContact CD2-CD2 4.01Å; F629-L646 HydrophobicContact CE2-CD2 3.84Å; F629-H650 HydrophobicContact CD2-CB 3.98Å; F629-H650 AromaticContact CD2-CD2 3.96Å; F629-H650 AromaticContact CD2-CE1 3.74Å; F629-H650 AromaticContact CD2-CG 3.48Å; F629-H650 VanDerWaalsContact CD2-CG 3.48Å; F629-H650 AromaticContact CD2-ND1 3.34Å; F629-H650 VanDerWaalsContact CD2-ND1 3.34Å; F629-H650 WeakPolarHBondContact CD2-ND1 3.19Å; F629-H650 HydrophobicContact CE2-CB 3.65Å; F629-H650 AromaticContact CE2-CG 3.72Å; F629-H650 AromaticContact CE2-ND1 3.88Å; F629-H650 AromaticContact CG-CE1 3.92Å; F629-H650 AromaticContact CG-ND1 3.67Å; F629-H650 HydrophobicContact CZ-CB 4.37Å
630	S	42	Very low	51.1	Low	112 Å²	112	76.6 Å²	76.6	78%	0.783	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-14.4	-168.8	47.7	0	0	0	0	114.7	C632	S630-C632 VanDerWaalsContact C-N 3.32Å
631	D	57.3	Low	52.6	Low	131 Å²	131	70 Å²	70	70%	0.701	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-5.2	171.6	58.5	-14.1	0	0	0	113.1	F629 H650	F629-D631 WeakPolarHBondContact CB-OD1 3.38Å; F629-D631 PolarHBondContact O-N 3.49Å; D631-H650 IonicContact OD1-CE1 3.7Å
632	C	62.1	Low	53.8	Low	22 Å²	22	64.9 Å²	64.9	15%	0.149	38%	0.379	C	S	.	.			trans	-124.1	101.6	-168.3	-170.9	0	0	0	0	114.6	C627 F629 S630 S634 H645 H650	C627-C632 HydrophobicContact CB-CB 3.98Å; F629-C632 PolarHBondContact O-N 2.8Å; S630-C632 VanDerWaalsContact C-N 3.32Å; C632-S634 PolarHBondContact O-N 2.85Å; C632-S634 PolarHBondContact SG-OG 2.65Å; C632-S634 VanDerWaalsContact SG-OG 3.33Å; C632-H645 PolarHBondContact SG-CE1 2.7Å; C632-H645 PolarHBondContact SG-NE2 3.21Å; C632-H650 PolarHBondContact SG-NE2 2.75Å; C632-H650 VanDerWaalsContact SG-NE2 3.38Å
633	N	61.9	Low	55.1	Low	169 Å²	169	61.3 Å²	61.3	90%	0.904	37%	0.366	S	S	*	.			trans	-75.6	17.2	178.1	-70.8	-38.1	0	0	0	115.2
634	S	59.6	Low	56.6	Low	43 Å²	43	61.1 Å²	61.1	30%	0.301	37%	0.367	S	S	.	.			trans	-81.6	134.3	-173.1	-58.5	0	0	0	0	113.4	C627 C632 H645	C627-S634 PolarHBondContact N-O 3.19Å; C632-S634 PolarHBondContact O-N 2.85Å; C632-S634 PolarHBondContact SG-OG 2.65Å; C632-S634 VanDerWaalsContact SG-OG 3.33Å; S634-H645 PolarHBondContact OG-CE1 2.75Å
635	S	50.7	Low	58.3	Low	48 Å²	48	59.3 Å²	59.3	34%	0.336	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.8	177.4	69.8	0	0	0	0	113.3	F601	F601-S635 PolarHBondContact O-OG 3.34Å
636	F	66.5	Low	59	Low	43 Å²	43	58.3 Å²	58.3	19%	0.189	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135.1	-172.7	-58.7	-78	0	0	0	113.2	Y625 S638 G641 L642 H645	Y625-F636 PolarHBondContact N-O 3.34Å; Y625-F636 WeakPolarHBondContact O-CD2 3.45Å; Y625-F636 PolarHBondContact O-N 2.7Å; F636-S638 PolarHBondContact O-N 3.35Å; F636-G641 VanDerWaalsContact CD1-C 3.43Å; F636-G641 WeakPolarHBondContact CD1-O 3.41Å; F636-G641 VanDerWaalsContact CG-C 3.4Å; F636-L642 HydrophobicContact CB-CB 4.12Å; F636-L642 HydrophobicContact CD2-CB 3.9Å; F636-L642 HydrophobicContact CD2-CD1 3.87Å; F636-L642 HydrophobicContact CE2-CD1 4.23Å; F636-L642 HydrophobicContact CG-CB 4.19Å; F636-L642 VanDerWaalsContact CG-N 3.34Å; F636-H645 HydrophobicContact CD1-CB 4.43Å; F636-H645 HydrophobicContact CD2-CB 4.27Å; F636-H645 HydrophobicContact CE1-CB 3.65Å; F636-H645 HydrophobicContact CE2-CB 3.48Å; F636-H645 VanDerWaalsContact CE2-CB 3.48Å; F636-H645 AromaticContact CE2-CD2 3.43Å; F636-H645 VanDerWaalsContact CE2-CD2 3.43Å; F636-H645 WeakPolarHBondContact CE2-CD2 3.26Å; F636-H645 AromaticContact CE2-CG 3.34Å; F636-H645 HydrophobicContact CZ-CB 3.13Å; F636-H645 AromaticContact CZ-CD2 3.77Å; F636-H645 AromaticContact CZ-CG 3.17Å; F636-H645 AromaticContact CZ-ND1 3.59Å
637	S	48.2	Very low	59.8	Low	77 Å²	77	57.6 Å²	57.6	54%	0.538	34%	0.339	S	S	.	.	S	Bend	trans	-77.6	0.3	179.1	58.6	0	0	0	0	114.4
638	S	49.3	Very low	60.6	Low	43 Å²	43	63.5 Å²	63.5	30%	0.301	37%	0.365	S	S	.	.	S	Bend	trans	-153.1	155.5	178.3	71.7	0	0	0	0	110.9	F636 N640 G641 L642	F636-S638 PolarHBondContact O-N 3.35Å; S638-N640 PolarHBondContact O-N 2.8Å; S638-G641 PolarHBondContact O-N 3.48Å; S638-G641 VanDerWaalsContact O-N 3.15Å; S638-G641 PolarHBondContact OG-N 2.63Å; S638-L642 PolarHBondContact O-N 2.79Å
639	P	52.2	Low	61.7	Low	40 Å²	40	67.5 Å²	67.5	26%	0.26	38%	0.376	S	S	.	.	H	α-helix	trans	-67.2	-25	176.6	27.7	-32.9	0	0	0	111.9	Y625 L643 L678	Y625-P639 HydrophobicContact CD1-CB 4.22Å; Y625-P639 HydrophobicContact CD2-CB 4.46Å; Y625-P639 HydrophobicContact CE1-CB 3.8Å; Y625-P639 HydrophobicContact CE2-CB 4.07Å; Y625-P639 VanDerWaalsContact CE2-CD 3.42Å; Y625-P639 HydrophobicContact CE2-CG 4.22Å; P639-L643 VanDerWaalsContact O-CB 3.28Å; P639-L643 WeakPolarHBondContact O-CB 3.16Å; P639-L643 PolarHBondContact O-N 2.72Å; P639-L678 HydrophobicContact CB-CD2 3.87Å
640	N	66.5	Low	62.6	Low	108 Å²	108	65.6 Å²	65.6	58%	0.578	37%	0.368	S	S	*	.	H	α-helix	trans	-70.8	-35.9	173.7	-70.8	27.3	0	0	0	111.5	S638 L643 N644	S638-N640 PolarHBondContact O-N 2.8Å; N640-L643 PolarHBondContact O-N 3.26Å; N640-N644 WeakPolarHBondContact O-CB 3.28Å; N640-N644 PolarHBondContact O-N 2.86Å; N640-N644 PolarHBondContact O-OD1 2.79Å
641	G	72.4	Confident	63.4	Low	20 Å²	20	68.1 Å²	68.1	21%	0.206	36%	0.361	C	S	.	.	H	α-helix	trans	-61.5	-47.3	172.8	0	0	0	0	0	111.5	F636 S638 L643 N644 H645	F636-G641 VanDerWaalsContact CD1-C 3.43Å; F636-G641 WeakPolarHBondContact CD1-O 3.41Å; F636-G641 VanDerWaalsContact CG-C 3.4Å; S638-G641 PolarHBondContact O-N 3.48Å; S638-G641 VanDerWaalsContact O-N 3.15Å; S638-G641 PolarHBondContact OG-N 2.63Å; G641-L643 PolarHBondContact O-N 3.13Å; G641-N644 PolarHBondContact O-N 3.44Å; G641-H645 WeakPolarHBondContact O-CB 3.36Å; G641-H645 PolarHBondContact O-N 3.07Å
642	L	65.9	Low	63.3	Low	9 Å²	9	64.7 Å²	64.7	5%	0.047	36%	0.357	C	S	.	.	H	α-helix	trans	-63.1	-42.4	174.6	176.5	63.2	0	0	0	111.5	Y625 A626 F636 S638 H645 L646 L678	Y625-L642 HydrophobicContact CD1-CD2 4.39Å; A626-L642 WeakPolarHBondContact O-CD1 3.41Å; F636-L642 HydrophobicContact CB-CB 4.12Å; F636-L642 HydrophobicContact CD2-CB 3.9Å; F636-L642 HydrophobicContact CD2-CD1 3.87Å; F636-L642 HydrophobicContact CE2-CD1 4.23Å; F636-L642 HydrophobicContact CG-CB 4.19Å; F636-L642 VanDerWaalsContact CG-N 3.34Å; S638-L642 PolarHBondContact O-N 2.79Å; L642-H645 PolarHBondContact O-N 3.18Å; L642-L646 HydrophobicContact CD1-CD1 3.71Å; L642-L646 HydrophobicContact CD1-CD2 4.49Å; L642-L646 HydrophobicContact CD1-CG 3.82Å; L642-L646 HydrophobicContact CD2-CD1 4.19Å; L642-L646 HydrophobicContact CG-CD1 3.62Å; L642-L646 HydrophobicContact CG-CG 4.19Å; L642-L646 VanDerWaalsContact O-CB 3.25Å; L642-L646 WeakPolarHBondContact O-CB 3.37Å; L642-L646 WeakPolarHBondContact O-CG 3.32Å; L642-L646 PolarHBondContact O-N 3.15Å; L642-L678 HydrophobicContact CD2-CD2 3.98Å
643	L	65.8	Low	62.4	Low	37 Å²	37	71.7 Å²	71.7	19%	0.194	39%	0.393	C	S	.	.	H	α-helix	trans	-60.1	-46.2	176.9	174.9	62	0	0	0	112.1	P639 N640 G641 L646 L647 L671 V674	P639-L643 VanDerWaalsContact O-CB 3.28Å; P639-L643 WeakPolarHBondContact O-CB 3.16Å; P639-L643 PolarHBondContact O-N 2.72Å; N640-L643 PolarHBondContact O-N 3.26Å; G641-L643 PolarHBondContact O-N 3.13Å; L643-L646 PolarHBondContact O-N 3.12Å; L643-L647 HydrophobicContact CD1-CD1 3.77Å; L643-L647 HydrophobicContact CD1-CG 4.18Å; L643-L647 HydrophobicContact CG-CD1 3.89Å; L643-L647 WeakPolarHBondContact O-CB 3.41Å; L643-L647 WeakPolarHBondContact O-CG 3.23Å; L643-L647 PolarHBondContact O-N 2.85Å; L643-L671 HydrophobicContact CD1-CD1 3.97Å; L643-V674 HydrophobicContact CB-CG1 4.42Å; L643-V674 HydrophobicContact CD1-CB 3.98Å; L643-V674 HydrophobicContact CD1-CG1 3.6Å; L643-V674 HydrophobicContact CD1-CG2 4.37Å
644	N	71.7	Confident	61.7	Low	82 Å²	82	72.8 Å²	72.8	44%	0.439	38%	0.384	S	S	.	.	H	α-helix	trans	-62.6	-49.7	176.9	-75.5	17.2	0	0	0	110.9	N640 G641 L646 L647 E648	N640-N644 WeakPolarHBondContact O-CB 3.28Å; N640-N644 PolarHBondContact O-N 2.86Å; N640-N644 PolarHBondContact O-OD1 2.79Å; G641-N644 PolarHBondContact O-N 3.44Å; N644-L646 VanDerWaalsContact C-N 3.34Å; N644-L646 PolarHBondContact O-N 3.46Å; N644-L647 CarbonylContact O-C 3.38Å; N644-L647 WeakPolarHBondContact O-CA 3.46Å; N644-L647 WeakPolarHBondContact O-CB 3.34Å; N644-L647 PolarHBondContact O-N 3.07Å; N644-E648 WeakPolarHBondContact O-CB 3.32Å; N644-E648 VanDerWaalsContact O-CG 3.28Å; N644-E648 WeakPolarHBondContact O-CG 3.41Å; N644-E648 PolarHBondContact O-N 3.04Å
645	H	77.5	Confident	61	Low	11 Å²	11	74.9 Å²	74.9	5%	0.051	40%	0.399	C	S	.	.	H	α-helix	trans	-57.6	-44.8	177.1	163.5	74	0	0	0	113	C627 C632 S634 F636 G641 L642 L647 E648 K649 H650	C627-H645 PolarHBondContact SG-NE2 3.19Å; C627-H645 VanDerWaalsContact SG-NE2 3.38Å; C632-H645 PolarHBondContact SG-CE1 2.7Å; C632-H645 PolarHBondContact SG-NE2 3.21Å; S634-H645 PolarHBondContact OG-CE1 2.75Å; F636-H645 HydrophobicContact CD1-CB 4.43Å; F636-H645 HydrophobicContact CD2-CB 4.27Å; F636-H645 HydrophobicContact CE1-CB 3.65Å; F636-H645 HydrophobicContact CE2-CB 3.48Å; F636-H645 VanDerWaalsContact CE2-CB 3.48Å; F636-H645 AromaticContact CE2-CD2 3.43Å; F636-H645 VanDerWaalsContact CE2-CD2 3.43Å; F636-H645 WeakPolarHBondContact CE2-CD2 3.26Å; F636-H645 AromaticContact CE2-CG 3.34Å; F636-H645 HydrophobicContact CZ-CB 3.13Å; F636-H645 AromaticContact CZ-CD2 3.77Å; F636-H645 AromaticContact CZ-CG 3.17Å; F636-H645 AromaticContact CZ-ND1 3.59Å; G641-H645 WeakPolarHBondContact O-CB 3.36Å; G641-H645 PolarHBondContact O-N 3.07Å; L642-H645 PolarHBondContact O-N 3.18Å; H645-L647 VanDerWaalsContact C-N 3.3Å; H645-L647 PolarHBondContact O-N 3.44Å; H645-E648 PolarHBondContact O-N 2.99Å; H645-K649 WeakPolarHBondContact O-CB 3.37Å; H645-K649 PolarHBondContact O-N 3.24Å; H645-H650 AromaticContact CE1-CD2 3.97Å; H645-H650 AromaticContact CE1-NE2 3.74Å; H645-H650 AromaticContact NE2-CD2 3.48Å; H645-H650 PolarHBondContact NE2-CD2 3.07Å; H645-H650 AromaticContact NE2-NE2 3.32Å; H645-H650 PolarHBondContact NE2-NE2 3.06Å
646	L	62.8	Low	61	Low	1 Å²	1	79.5 Å²	79.5	1%	0.005	42%	0.419	C	S	.	.	H	α-helix	trans	-59.7	-43.3	173.9	-74.4	171.4	0	0	0	110.1	F629 L642 L643 N644 E648 H650 R651 F670 V674	F629-L646 HydrophobicContact CD2-CD2 4.01Å; F629-L646 HydrophobicContact CE2-CD2 3.84Å; L642-L646 HydrophobicContact CD1-CD1 3.71Å; L642-L646 HydrophobicContact CD1-CD2 4.49Å; L642-L646 HydrophobicContact CD1-CG 3.82Å; L642-L646 HydrophobicContact CD2-CD1 4.19Å; L642-L646 HydrophobicContact CG-CD1 3.62Å; L642-L646 HydrophobicContact CG-CG 4.19Å; L642-L646 VanDerWaalsContact O-CB 3.25Å; L642-L646 WeakPolarHBondContact O-CB 3.37Å; L642-L646 WeakPolarHBondContact O-CG 3.32Å; L642-L646 PolarHBondContact O-N 3.15Å; L643-L646 PolarHBondContact O-N 3.12Å; N644-L646 VanDerWaalsContact C-N 3.34Å; N644-L646 PolarHBondContact O-N 3.46Å; L646-E648 VanDerWaalsContact C-N 3.33Å; L646-E648 PolarHBondContact O-N 2.82Å; L646-H650 HydrophobicContact CD2-CB 4.36Å; L646-H650 CarbonylContact O-C 3.53Å; L646-H650 WeakPolarHBondContact O-CA 3.1Å; L646-H650 PolarHBondContact O-N 2.88Å; L646-R651 PolarHBondContact O-N 2.82Å; L646-F670 VanDerWaalsContact C-CZ 3.48Å; L646-F670 HydrophobicContact CB-CE1 3.64Å; L646-F670 HydrophobicContact CB-CZ 3.64Å; L646-F670 HydrophobicContact CD2-CZ 4.26Å; L646-F670 WeakPolarHBondContact O-CE1 3.37Å; L646-F670 WeakPolarHBondContact O-CZ 3.31Å; L646-V674 HydrophobicContact CB-CG2 3.93Å; L646-V674 HydrophobicContact CD1-CB 4.33Å; L646-V674 HydrophobicContact CD1-CG1 3.67Å; L646-V674 HydrophobicContact CD1-CG2 3.75Å; L646-V674 HydrophobicContact CG-CG2 4.43Å
647	L	66.9	Low	60.5	Low	45 Å²	45	85.7 Å²	85.7	24%	0.236	45%	0.446	C	S	.	.	H	α-helix	trans	-72	-15.3	176.2	-72.3	169	0	0	0	115.4	L643 N644 H645 R651 F670	L643-L647 HydrophobicContact CD1-CD1 3.77Å; L643-L647 HydrophobicContact CD1-CG 4.18Å; L643-L647 HydrophobicContact CG-CD1 3.89Å; L643-L647 WeakPolarHBondContact O-CB 3.41Å; L643-L647 WeakPolarHBondContact O-CG 3.23Å; L643-L647 PolarHBondContact O-N 2.85Å; N644-L647 CarbonylContact O-C 3.38Å; N644-L647 WeakPolarHBondContact O-CA 3.46Å; N644-L647 WeakPolarHBondContact O-CB 3.34Å; N644-L647 PolarHBondContact O-N 3.07Å; H645-L647 VanDerWaalsContact C-N 3.3Å; H645-L647 PolarHBondContact O-N 3.44Å; L647-R651 VanDerWaalsContact O-CB 3.25Å; L647-R651 WeakPolarHBondContact O-CB 3.41Å; L647-R651 WeakPolarHBondContact O-CD 3.12Å; L647-F670 HydrophobicContact CD2-CD1 3.86Å; L647-F670 HydrophobicContact CD2-CE1 4.25Å; L647-F670 HydrophobicContact CG-CE1 4.44Å
648	E	73.2	Confident	61.3	Low	141 Å²	141	83.6 Å²	83.6	66%	0.659	43%	0.429	S	S	*	.	H	α-helix	trans	-105.6	-37	-177.4	-74.9	166.7	-160.4	0	0	112.6	N644 H645 L646	N644-E648 WeakPolarHBondContact O-CB 3.32Å; N644-E648 VanDerWaalsContact O-CG 3.28Å; N644-E648 WeakPolarHBondContact O-CG 3.41Å; N644-E648 PolarHBondContact O-N 3.04Å; H645-E648 PolarHBondContact O-N 2.99Å; L646-E648 VanDerWaalsContact C-N 3.33Å; L646-E648 PolarHBondContact O-N 2.82Å
649	K	72	Confident	62.3	Low	160 Å²	160	83.6 Å²	83.6	70%	0.696	43%	0.431	S	S	*	.	H	α-helix	trans	-105.7	-29.1	-176.3	-63.4	-63.2	-172.5	174.1	0	114	H645	H645-K649 WeakPolarHBondContact O-CB 3.37Å; H645-K649 PolarHBondContact O-N 3.24Å
650	H	69.6	Low	63	Low	35 Å²	35	81.8 Å²	81.8	16%	0.162	42%	0.42	C	S	.	.	S	Bend	trans	-115.1	5.5	-173.3	-61.8	-79.8	0	0	0	114.3	C627 F629 D631 C632 H645 L646 G652 F670	C627-H650 PolarHBondContact SG-NE2 3.09Å; F629-H650 HydrophobicContact CD2-CB 3.98Å; F629-H650 AromaticContact CD2-CD2 3.96Å; F629-H650 AromaticContact CD2-CE1 3.74Å; F629-H650 AromaticContact CD2-CG 3.48Å; F629-H650 VanDerWaalsContact CD2-CG 3.48Å; F629-H650 AromaticContact CD2-ND1 3.34Å; F629-H650 VanDerWaalsContact CD2-ND1 3.34Å; F629-H650 WeakPolarHBondContact CD2-ND1 3.19Å; F629-H650 HydrophobicContact CE2-CB 3.65Å; F629-H650 AromaticContact CE2-CG 3.72Å; F629-H650 AromaticContact CE2-ND1 3.88Å; F629-H650 AromaticContact CG-CE1 3.92Å; F629-H650 AromaticContact CG-ND1 3.67Å; F629-H650 HydrophobicContact CZ-CB 4.37Å; D631-H650 IonicContact OD1-CE1 3.7Å; C632-H650 PolarHBondContact SG-NE2 2.75Å; C632-H650 VanDerWaalsContact SG-NE2 3.38Å; H645-H650 AromaticContact CE1-CD2 3.97Å; H645-H650 AromaticContact CE1-NE2 3.74Å; H645-H650 AromaticContact NE2-CD2 3.48Å; H645-H650 PolarHBondContact NE2-CD2 3.07Å; H645-H650 AromaticContact NE2-NE2 3.32Å; H645-H650 PolarHBondContact NE2-NE2 3.06Å; L646-H650 HydrophobicContact CD2-CB 4.36Å; L646-H650 CarbonylContact O-C 3.53Å; L646-H650 WeakPolarHBondContact O-CA 3.1Å; L646-H650 PolarHBondContact O-N 2.88Å; H650-G652 PolarHBondContact O-N 2.73Å; H650-F670 HydrophobicContact CB-CE2 3.99Å; H650-F670 HydrophobicContact CB-CZ 3.86Å; H650-F670 WeakPolarHBondContact O-CE2 3.39Å
651	R	59.9	Low	62.6	Low	165 Å²	165	85.3 Å²	85.3	62%	0.623	43%	0.433	S	S	*	.			trans	-78	10	179.9	-162.2	178.7	175.6	-174.1	2.7	114.5	L646 L647	L646-R651 PolarHBondContact O-N 2.82Å; L647-R651 VanDerWaalsContact O-CB 3.25Å; L647-R651 WeakPolarHBondContact O-CB 3.41Å; L647-R651 WeakPolarHBondContact O-CD 3.12Å
652	G	54.1	Low	61.6	Low	60 Å²	60	87 Å²	87	62%	0.619	44%	0.438	S	S	*	.	S	Bend	trans	-60.7	146.2	180	0	0	0	0	0	112.9	H650 R654	H650-G652 PolarHBondContact O-N 2.73Å; G652-R654 VanDerWaalsContact C-N 3.34Å; G652-R654 PolarHBondContact O-N 2.94Å
653	N	44	Very low	61.8	Low	169 Å²	169	87.8 Å²	87.8	90%	0.904	45%	0.445	S	S	*	.	S	Bend	trans	-66.8	80.8	-172	-74.1	-17.8	0	0	0	113.5
654	R	46.6	Very low	62	Low	192 Å²	192	92 Å²	92	73%	0.725	47%	0.467	S	S	*	.			trans	-114.1	60.5	164.1	-67.6	-173.7	176.6	-174.7	0.4	109.9	G652 D656 K657	G652-R654 VanDerWaalsContact C-N 3.34Å; G652-R654 PolarHBondContact O-N 2.94Å; R654-D656 PolarHBondContact O-N 2.93Å; R654-K657 PolarHBondContact O-N 3.47Å
655	S	45.7	Very low	62	Low	87 Å²	87	89 Å²	89	61%	0.608	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-34.4	-178.8	42.1	0	0	0	0	113.8
656	D	49.7	Very low	62	Low	144 Å²	144	93.6 Å²	93.6	77%	0.77	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-6.2	-166.3	-33.6	-36.7	0	0	0	112.8	R654	R654-D656 PolarHBondContact O-N 2.93Å
657	K	57.5	Low	62.3	Low	173 Å²	173	94.9 Å²	94.9	75%	0.752	48%	0.476	S	S	*	.			trans	-127.4	17.6	-169.9	-63.3	-173	178.9	-179.9	0	114.4	R654 A659	R654-K657 PolarHBondContact O-N 3.47Å; K657-A659 VanDerWaalsContact C-N 3.31Å; K657-A659 PolarHBondContact O-N 3.38Å
658	L	64.5	Low	62.3	Low	33 Å²	33	99.7 Å²	99.7	17%	0.173	50%	0.497	C	S	.	.			trans	-73.8	76.4	175.6	-68.7	173.5	0	0	0	112.2	K666 F667 F670 L673	L658-K666 CarbonylContact O-C 3.53Å; L658-K666 WeakPolarHBondContact O-CA 3.36Å; L658-F667 PolarHBondContact O-N 3.12Å; L658-F670 HydrophobicContact CD2-CB 4.46Å; L658-F670 HydrophobicContact CD2-CD2 3.96Å; L658-L673 HydrophobicContact CD2-CD2 4.11Å
659	A	69.4	Low	61.8	Low	43 Å²	43	95.5 Å²	95.5	36%	0.355	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.4	176.4	0	0	0	0	0	112.6	K657 H661 Q665 K666	K657-A659 VanDerWaalsContact C-N 3.31Å; K657-A659 PolarHBondContact O-N 3.38Å; A659-H661 PolarHBondContact O-N 3.24Å; A659-Q665 CarbonylContact C-O 3.47Å; A659-Q665 VanDerWaalsContact CA-O 3.29Å; A659-Q665 WeakPolarHBondContact CA-O 3.27Å; A659-K666 HydrophobicContact CB-CG 4.42Å
660	C	66.9	Low	61.4	Low	2 Å²	2	89 Å²	89	1%	0.014	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	111.6	169.9	177.3	0	0	0	0	110.8	T662 C663 D664 Q665 F667 L673 H676	C660-T662 PolarHBondContact O-N 3.04Å; C660-C663 PolarHBondContact O-N 3.45Å; C660-D664 WeakPolarHBondContact O-CA 3.23Å; C660-D664 PolarHBondContact O-N 3.34Å; C660-Q665 HydrophobicContact CB-CB 4.39Å; C660-Q665 PolarHBondContact N-O 3.27Å; C660-F667 HydrophobicContact CB-CE2 4.12Å; C660-L673 HydrophobicContact CB-CD1 4.11Å; C660-H676 WeakPolarHBondContact CB-NE2 3.34Å; C660-H676 PolarHBondContact SG-CD2 3.46Å; C660-H676 PolarHBondContact SG-NE2 3.01Å
661	H	57.8	Low	61	Low	183 Å²	183	90.8 Å²	90.8	85%	0.847	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-20	179.5	-179.4	62.2	0	0	0	114.8	A659	A659-H661 PolarHBondContact O-N 3.24Å
662	T	52	Low	61.5	Low	54 Å²	54	85.8 Å²	85.8	33%	0.331	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-17.4	178.7	-27.6	0	0	0	0	114	C660 L690 L691	C660-T662 PolarHBondContact O-N 3.04Å; T662-L690 HydrophobicContact CG2-CB 3.77Å; T662-L690 WeakPolarHBondContact O-CD1 3.21Å; T662-L691 HydrophobicContact CG2-CD2 3.87Å; T662-L691 HydrophobicContact CG2-CG 4Å; T662-L691 WeakPolarHBondContact OG1-CD2 3.23Å; T662-L691 WeakPolarHBondContact OG1-CG 3.46Å
663	C	70.1	Confident	62.5	Low	27 Å²	27	83.3 Å²	83.3	18%	0.182	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-152.3	17.3	-176.3	79.4	0	0	0	0	115.3	C660 Q665 H676 L690	C660-C663 PolarHBondContact O-N 3.45Å; C663-Q665 PolarHBondContact O-N 3.25Å; C663-H676 PolarHBondContact SG-CE1 2.85Å; C663-H676 PolarHBondContact SG-NE2 3.28Å; C663-H676 VanDerWaalsContact SG-NE2 3.36Å; C663-L690 HydrophobicContact CB-CD1 3.81Å; C663-L690 HydrophobicContact CB-CG 4.36Å
664	D	70.2	Confident	63.4	Low	124 Å²	124	75.3 Å²	75.3	66%	0.663	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	22.1	-179.7	-55.7	-45.8	0	0	0	115.9	C660 K666	C660-D664 WeakPolarHBondContact O-CA 3.23Å; C660-D664 PolarHBondContact O-N 3.34Å; D664-K666 PolarHBondContact O-N 3.48Å; D664-K666 VanDerWaalsContact O-N 3.13Å
665	Q	72.7	Confident	64.3	Low	21 Å²	21	72.2 Å²	72.2	10%	0.098	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	112.6	179.5	-178.1	162.1	8.2	0	0	110.2	A659 C660 C663 F667 H676 V709 I710	A659-Q665 CarbonylContact C-O 3.47Å; A659-Q665 VanDerWaalsContact CA-O 3.29Å; A659-Q665 WeakPolarHBondContact CA-O 3.27Å; C660-Q665 HydrophobicContact CB-CB 4.39Å; C660-Q665 PolarHBondContact N-O 3.27Å; C663-Q665 PolarHBondContact O-N 3.25Å; Q665-F667 HydrophobicContact CB-CE2 3.96Å; Q665-F667 HydrophobicContact CB-CZ 3.87Å; Q665-F667 VanDerWaalsContact CD-CZ 3.42Å; Q665-F667 HydrophobicContact CG-CE1 3.78Å; Q665-F667 HydrophobicContact CG-CE2 3.75Å; Q665-F667 HydrophobicContact CG-CZ 3.3Å; Q665-F667 WeakPolarHBondContact O-CD2 3.27Å; Q665-F667 WeakPolarHBondContact O-CE2 3.45Å; Q665-H676 PolarHBondContact OE1-CE1 2.81Å; Q665-H676 PolarHBondContact OE1-ND1 3.48Å; Q665-H676 VanDerWaalsContact OE1-ND1 3.1Å; Q665-V709 PolarHBondContact NE2-O 3.13Å; Q665-V709 VanDerWaalsContact NE2-O 3.13Å; Q665-I710 HydrophobicContact CB-CD1 3.95Å; Q665-I710 HydrophobicContact CB-CG1 3.89Å; Q665-I710 HydrophobicContact CG-CD1 3.99Å; Q665-I710 HydrophobicContact CG-CG1 3.6Å
666	K	76.4	Confident	65.6	Low	107 Å²	107	68.1 Å²	68.1	47%	0.465	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	143.1	171.3	-62.7	-175.7	-179.5	-177.7	0	111.4	L658 A659 D664	L658-K666 CarbonylContact O-C 3.53Å; L658-K666 WeakPolarHBondContact O-CA 3.36Å; A659-K666 HydrophobicContact CB-CG 4.42Å; D664-K666 PolarHBondContact O-N 3.48Å; D664-K666 VanDerWaalsContact O-N 3.13Å
667	F	69.5	Low	66.2	Low	27 Å²	27	62.6 Å²	62.6	12%	0.118	31%	0.305	C	S	.	.			trans	-125.7	145.8	175.7	-61.4	-78.3	0	0	0	110.8	L658 C660 Q665 D669 H672 L673 H676	L658-F667 PolarHBondContact O-N 3.12Å; C660-F667 HydrophobicContact CB-CE2 4.12Å; Q665-F667 HydrophobicContact CB-CE2 3.96Å; Q665-F667 HydrophobicContact CB-CZ 3.87Å; Q665-F667 VanDerWaalsContact CD-CZ 3.42Å; Q665-F667 HydrophobicContact CG-CE1 3.78Å; Q665-F667 HydrophobicContact CG-CE2 3.75Å; Q665-F667 HydrophobicContact CG-CZ 3.3Å; Q665-F667 WeakPolarHBondContact O-CD2 3.27Å; Q665-F667 WeakPolarHBondContact O-CE2 3.45Å; F667-D669 WeakPolarHBondContact CB-O 3.33Å; F667-H672 HydrophobicContact CB-CB 4.25Å; F667-H672 HydrophobicContact CD1-CB 3.71Å; F667-H672 HydrophobicContact CG-CB 4.29Å; F667-L673 HydrophobicContact CB-CB 4.22Å; F667-L673 HydrophobicContact CD2-CB 3.62Å; F667-L673 HydrophobicContact CD2-CD1 3.63Å; F667-L673 HydrophobicContact CD2-CG 4.18Å; F667-L673 HydrophobicContact CE2-CB 4.26Å; F667-L673 HydrophobicContact CE2-CD1 3.62Å; F667-L673 HydrophobicContact CG-CB 3.99Å; F667-H676 HydrophobicContact CE1-CB 3.84Å; F667-H676 HydrophobicContact CE2-CB 3.97Å; F667-H676 AromaticContact CE2-CG 3.98Å; F667-H676 HydrophobicContact CZ-CB 3.29Å; F667-H676 AromaticContact CZ-CD2 3.87Å; F667-H676 AromaticContact CZ-CG 3.33Å; F667-H676 AromaticContact CZ-ND1 3.49Å; F667-H676 WeakPolarHBondContact CZ-ND1 3.11Å
668	H	65.9	Low	66.2	Low	147 Å²	147	56 Å²	56	68%	0.681	28%	0.278	S	S	*	.	S	Bend	trans	-81.5	-18.4	179.4	57.6	-94.5	0	0	0	113	H672	H668-H672 AromaticContact CE1-CE1 3.74Å; H668-H672 AromaticContact CE1-CG 3.84Å; H668-H672 AromaticContact CE1-ND1 3.58Å; H668-H672 AromaticContact NE2-CE1 3.36Å; H668-H672 PolarHBondContact NE2-CE1 3.18Å; H668-H672 AromaticContact NE2-CG 3.93Å; H668-H672 AromaticContact NE2-ND1 3.21Å; H668-H672 PolarHBondContact NE2-ND1 3.32Å
669	D	62.3	Low	65.4	Low	53 Å²	53	57.4 Å²	57.4	28%	0.283	29%	0.289	S	S	.	.	S	Bend	trans	-142.9	165.6	170.9	71.6	42.1	0	0	0	110.7	F667 L671 H672	F667-D669 WeakPolarHBondContact CB-O 3.33Å; D669-L671 VanDerWaalsContact C-N 3.35Å; D669-L671 WeakPolarHBondContact OD1-CA 3.4Å; D669-L671 WeakPolarHBondContact OD1-CB 3.38Å; D669-L671 PolarHBondContact OD1-N 3.31Å; D669-H672 IonicContact OD1-CG 3.37Å; D669-H672 PolarHBondContact OD1-N 3.29Å; D669-H672 IonicContact OD1-ND1 2.88Å; D669-H672 PolarHBondContact OD1-ND1 3.04Å; D669-H672 IonicContact OD2-CE1 2.84Å; D669-H672 PolarHBondContact OD2-CE1 2.92Å; D669-H672 IonicContact OD2-ND1 3.21Å; D669-H672 PolarHBondContact OD2-ND1 2.84Å
670	F	64.1	Low	64.4	Low	22 Å²	22	59.3 Å²	59.3	10%	0.096	29%	0.287	C	S	.	.	H	α-helix	trans	-67.1	-34.2	179.8	-175	-90.7	0	0	0	112.7	L646 L647 H650 L658 H672 L673 V674	L646-F670 VanDerWaalsContact C-CZ 3.48Å; L646-F670 HydrophobicContact CB-CE1 3.64Å; L646-F670 HydrophobicContact CB-CZ 3.64Å; L646-F670 HydrophobicContact CD2-CZ 4.26Å; L646-F670 WeakPolarHBondContact O-CE1 3.37Å; L646-F670 WeakPolarHBondContact O-CZ 3.31Å; L647-F670 HydrophobicContact CD2-CD1 3.86Å; L647-F670 HydrophobicContact CD2-CE1 4.25Å; L647-F670 HydrophobicContact CG-CE1 4.44Å; H650-F670 HydrophobicContact CB-CE2 3.99Å; H650-F670 HydrophobicContact CB-CZ 3.86Å; H650-F670 WeakPolarHBondContact O-CE2 3.39Å; L658-F670 HydrophobicContact CD2-CB 4.46Å; L658-F670 HydrophobicContact CD2-CD2 3.96Å; F670-H672 VanDerWaalsContact C-N 3.32Å; F670-H672 PolarHBondContact O-N 2.73Å; F670-L673 WeakPolarHBondContact O-CB 3.11Å; F670-L673 PolarHBondContact O-N 3.08Å; F670-V674 HydrophobicContact CD1-CG2 3.85Å; F670-V674 HydrophobicContact CE1-CG2 3.44Å; F670-V674 VanDerWaalsContact CE1-CG2 3.44Å; F670-V674 HydrophobicContact CZ-CG2 4.03Å; F670-V674 WeakPolarHBondContact O-CG2 3.01Å; F670-V674 PolarHBondContact O-N 3.08Å
671	L	62.1	Low	63.1	Low	74 Å²	74	69.4 Å²	69.4	39%	0.387	33%	0.325	S	S	.	.	H	α-helix	trans	-63.2	-37.9	-178.8	178.2	64	0	0	0	111.6	L643 D669 V674 R675	L643-L671 HydrophobicContact CD1-CD1 3.97Å; D669-L671 VanDerWaalsContact C-N 3.35Å; D669-L671 WeakPolarHBondContact OD1-CA 3.4Å; D669-L671 WeakPolarHBondContact OD1-CB 3.38Å; D669-L671 PolarHBondContact OD1-N 3.31Å; L671-V674 PolarHBondContact O-N 3.26Å; L671-R675 WeakPolarHBondContact O-CB 3.08Å; L671-R675 VanDerWaalsContact O-CG 3.26Å; L671-R675 WeakPolarHBondContact O-CG 3.05Å; L671-R675 PolarHBondContact O-N 3.13Å
672	H	69.2	Low	62.1	Low	59 Å²	59	67.3 Å²	67.3	27%	0.273	32%	0.32	S	S	.	.	H	α-helix	trans	-71	-34.6	176.4	-75.4	92.3	0	0	0	112.5	F667 H668 D669 F670 R675 H676	F667-H672 HydrophobicContact CB-CB 4.25Å; F667-H672 HydrophobicContact CD1-CB 3.71Å; F667-H672 HydrophobicContact CG-CB 4.29Å; H668-H672 AromaticContact CE1-CE1 3.74Å; H668-H672 AromaticContact CE1-CG 3.84Å; H668-H672 AromaticContact CE1-ND1 3.58Å; H668-H672 AromaticContact NE2-CE1 3.36Å; H668-H672 PolarHBondContact NE2-CE1 3.18Å; H668-H672 AromaticContact NE2-CG 3.93Å; H668-H672 AromaticContact NE2-ND1 3.21Å; H668-H672 PolarHBondContact NE2-ND1 3.32Å; D669-H672 IonicContact OD1-CG 3.37Å; D669-H672 PolarHBondContact OD1-N 3.29Å; D669-H672 IonicContact OD1-ND1 2.88Å; D669-H672 PolarHBondContact OD1-ND1 3.04Å; D669-H672 IonicContact OD2-CE1 2.84Å; D669-H672 PolarHBondContact OD2-CE1 2.92Å; D669-H672 IonicContact OD2-ND1 3.21Å; D669-H672 PolarHBondContact OD2-ND1 2.84Å; F670-H672 VanDerWaalsContact C-N 3.32Å; F670-H672 PolarHBondContact O-N 2.73Å; H672-R675 PolarHBondContact O-N 3.26Å; H672-H676 WeakPolarHBondContact O-CB 3.33Å; H672-H676 PolarHBondContact O-N 3.2Å
673	L	75.3	Confident	61.4	Low	9 Å²	9	67.6 Å²	67.6	5%	0.047	33%	0.333	C	S	.	.	H	α-helix	trans	-61.5	-45.6	168.5	175.8	59.4	0	0	0	110.9	L658 C660 F667 F670 R675 H676 L677	L658-L673 HydrophobicContact CD2-CD2 4.11Å; C660-L673 HydrophobicContact CB-CD1 4.11Å; F667-L673 HydrophobicContact CB-CB 4.22Å; F667-L673 HydrophobicContact CD2-CB 3.62Å; F667-L673 HydrophobicContact CD2-CD1 3.63Å; F667-L673 HydrophobicContact CD2-CG 4.18Å; F667-L673 HydrophobicContact CE2-CB 4.26Å; F667-L673 HydrophobicContact CE2-CD1 3.62Å; F667-L673 HydrophobicContact CG-CB 3.99Å; F670-L673 WeakPolarHBondContact O-CB 3.11Å; F670-L673 PolarHBondContact O-N 3.08Å; L673-R675 PolarHBondContact O-N 2.89Å; L673-H676 WeakPolarHBondContact O-CA 3Å; L673-H676 WeakPolarHBondContact O-CB 3.39Å; L673-H676 PolarHBondContact O-N 3.34Å; L673-H676 VanDerWaalsContact O-N 3.09Å; L673-L677 HydrophobicContact CD1-CD1 4Å; L673-L677 HydrophobicContact CD1-CG 4.21Å; L673-L677 HydrophobicContact CG-CD1 3.99Å; L673-L677 WeakPolarHBondContact O-CG 3.43Å; L673-L677 PolarHBondContact O-N 2.75Å
674	V	64	Low	60.2	Low	1 Å²	1	70 Å²	70	1%	0.006	35%	0.35	C	S	.	.	H	α-helix	trans	-65.3	-40.6	176.3	-173.4	0	0	0	0	112.1	L643 L646 F670 L671 H676 L677 L678	L643-V674 HydrophobicContact CB-CG1 4.42Å; L643-V674 HydrophobicContact CD1-CB 3.98Å; L643-V674 HydrophobicContact CD1-CG1 3.6Å; L643-V674 HydrophobicContact CD1-CG2 4.37Å; L646-V674 HydrophobicContact CB-CG2 3.93Å; L646-V674 HydrophobicContact CD1-CB 4.33Å; L646-V674 HydrophobicContact CD1-CG1 3.67Å; L646-V674 HydrophobicContact CD1-CG2 3.75Å; L646-V674 HydrophobicContact CG-CG2 4.43Å; F670-V674 HydrophobicContact CD1-CG2 3.85Å; F670-V674 HydrophobicContact CE1-CG2 3.44Å; F670-V674 VanDerWaalsContact CE1-CG2 3.44Å; F670-V674 HydrophobicContact CZ-CG2 4.03Å; F670-V674 WeakPolarHBondContact O-CG2 3.01Å; F670-V674 PolarHBondContact O-N 3.08Å; L671-V674 PolarHBondContact O-N 3.26Å; V674-H676 PolarHBondContact O-N 2.94Å; V674-H676 VanDerWaalsContact O-N 3.16Å; V674-L677 PolarHBondContact O-N 2.95Å; V674-L677 VanDerWaalsContact O-N 3.12Å; V674-L678 HydrophobicContact CG1-CD1 3.86Å; V674-L678 HydrophobicContact CG1-CG 4.05Å; V674-L678 WeakPolarHBondContact O-CG 3.17Å; V674-L678 PolarHBondContact O-N 2.93Å
675	R	65.4	Low	59.3	Low	127 Å²	127	67.5 Å²	67.5	48%	0.479	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-16.4	173.5	-71	175.3	79.8	-177.4	11.1	113.7	L671 H672 L673 S686	L671-R675 WeakPolarHBondContact O-CB 3.08Å; L671-R675 VanDerWaalsContact O-CG 3.26Å; L671-R675 WeakPolarHBondContact O-CG 3.05Å; L671-R675 PolarHBondContact O-N 3.13Å; H672-R675 PolarHBondContact O-N 3.26Å; L673-R675 PolarHBondContact O-N 2.89Å; R675-S686 PolarHBondContact O-OG 3.43Å; R675-S686 VanDerWaalsContact O-OG 3.07Å
676	H	73.7	Confident	58.5	Low	1 Å²	1	68.8 Å²	68.8	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-87.1	-38.9	171.4	177	97	0	0	0	112.5	C660 C663 Q665 F667 H672 L673 V674 S686 G687 C688	C660-H676 WeakPolarHBondContact CB-NE2 3.34Å; C660-H676 PolarHBondContact SG-CD2 3.46Å; C660-H676 PolarHBondContact SG-NE2 3.01Å; C663-H676 PolarHBondContact SG-CE1 2.85Å; C663-H676 PolarHBondContact SG-NE2 3.28Å; C663-H676 VanDerWaalsContact SG-NE2 3.36Å; Q665-H676 PolarHBondContact OE1-CE1 2.81Å; Q665-H676 PolarHBondContact OE1-ND1 3.48Å; Q665-H676 VanDerWaalsContact OE1-ND1 3.1Å; F667-H676 HydrophobicContact CE1-CB 3.84Å; F667-H676 HydrophobicContact CE2-CB 3.97Å; F667-H676 AromaticContact CE2-CG 3.98Å; F667-H676 HydrophobicContact CZ-CB 3.29Å; F667-H676 AromaticContact CZ-CD2 3.87Å; F667-H676 AromaticContact CZ-CG 3.33Å; F667-H676 AromaticContact CZ-ND1 3.49Å; F667-H676 WeakPolarHBondContact CZ-ND1 3.11Å; H672-H676 WeakPolarHBondContact O-CB 3.33Å; H672-H676 PolarHBondContact O-N 3.2Å; L673-H676 WeakPolarHBondContact O-CA 3Å; L673-H676 WeakPolarHBondContact O-CB 3.39Å; L673-H676 PolarHBondContact O-N 3.34Å; L673-H676 VanDerWaalsContact O-N 3.09Å; V674-H676 PolarHBondContact O-N 2.94Å; V674-H676 VanDerWaalsContact O-N 3.16Å; H676-S686 WeakPolarHBondContact CA-O 3.48Å; H676-S686 PolarHBondContact ND1-O 2.6Å; H676-G687 CarbonylContact O-C 3.49Å; H676-G687 VanDerWaalsContact O-CA 3.31Å; H676-G687 WeakPolarHBondContact O-CA 3.21Å; H676-C688 VanDerWaalsContact CE1-CA 3.4Å; H676-C688 WeakPolarHBondContact CE1-CA 3.43Å; H676-C688 VanDerWaalsContact NE2-CB 3.25Å; H676-C688 WeakPolarHBondContact NE2-CB 3.5Å; H676-C688 PolarHBondContact NE2-SG 3.38Å; H676-C688 WeakPolarHBondContact O-CB 3.28Å; H676-C688 PolarHBondContact O-N 3.07Å
677	L	62	Low	57.6	Low	28 Å²	28	63.9 Å²	63.9	15%	0.147	33%	0.328	C	S	.	.	H	α-helix	trans	-74.5	-26	-179.5	-63.6	164.6	0	0	0	113.2	V628 L673 V674 P679 L691	V628-L677 HydrophobicContact CG1-CD1 4.27Å; V628-L677 HydrophobicContact CG1-CD2 4.33Å; V628-L677 HydrophobicContact CG2-CD1 3.68Å; L673-L677 HydrophobicContact CD1-CD1 4Å; L673-L677 HydrophobicContact CD1-CG 4.21Å; L673-L677 HydrophobicContact CG-CD1 3.99Å; L673-L677 WeakPolarHBondContact O-CG 3.43Å; L673-L677 PolarHBondContact O-N 2.75Å; V674-L677 PolarHBondContact O-N 2.95Å; V674-L677 VanDerWaalsContact O-N 3.12Å; L677-P679 WeakPolarHBondContact O-CD 3.29Å; L677-L691 HydrophobicContact CD2-CD1 3.73Å
678	L	56.7	Low	56.9	Low	35 Å²	35	63.4 Å²	63.4	18%	0.183	33%	0.328	C	S	.	.	S	Bend	trans	-75.8	129.3	-175	-75.1	173.4	0	0	0	114.7	Y625 P639 L642 V674 R680	Y625-L678 HydrophobicContact CD1-CD2 3.98Å; Y625-L678 HydrophobicContact CE1-CD2 4.21Å; P639-L678 HydrophobicContact CB-CD2 3.87Å; L642-L678 HydrophobicContact CD2-CD2 3.98Å; V674-L678 HydrophobicContact CG1-CD1 3.86Å; V674-L678 HydrophobicContact CG1-CG 4.05Å; V674-L678 WeakPolarHBondContact O-CG 3.17Å; V674-L678 PolarHBondContact O-N 2.93Å; L678-R680 PolarHBondContact O-N 3.1Å
679	P	48	Very low	56.3	Low	62 Å²	62	59.9 Å²	59.9	40%	0.403	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-52.6	124.1	170.4	-30.2	34.4	0	0	0	114.7	Y625 L677 R681	Y625-P679 HydrophobicContact CE1-CG 4.16Å; L677-P679 WeakPolarHBondContact O-CD 3.29Å; P679-R681 PolarHBondContact O-N 2.91Å
680	R	49.3	Very low	55.6	Low	83 Å²	83	62.6 Å²	62.6	31%	0.313	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-77.1	118.8	-177.4	-52	-179	-168.2	179.5	7.4	111.8	L678 S684 N685 G687 N706	L678-R680 PolarHBondContact O-N 3.1Å; R680-S684 WeakPolarHBondContact CD-O 3.46Å; R680-S684 PolarHBondContact NE-O 3.01Å; R680-S684 PolarHBondContact NH1-O 3.26Å; R680-N685 PolarHBondContact NH2-O 3.49Å; R680-G687 PolarHBondContact NH2-O 2.72Å; R680-N706 PolarHBondContact NH2-ND2 3.28Å; R680-N706 PolarHBondContact NH2-OD1 2.8Å
681	R	39.5	Very low	54.6	Low	214 Å²	214	65.8 Å²	65.8	81%	0.808	35%	0.349	S	S	*	.	S	Bend	trans	-75.2	-33.5	165.1	-84.9	-177.5	169.1	170	-5.4	113.1	P679	P679-R681 PolarHBondContact O-N 2.91Å
682	N	35.5	Very low	53.5	Low	139 Å²	139	69 Å²	69	74%	0.743	36%	0.357	S	S	*	.	S	Bend	trans	-127.4	145.9	179.2	-77	-32.2	0	0	0	111.3	S684	N682-S684 VanDerWaalsContact C-N 3.25Å; N682-S684 PolarHBondContact O-N 2.74Å
683	G	38.5	Very low	51.5	Low	59 Å²	59	74.4 Å²	74.4	61%	0.608	39%	0.386	S	S	*	.			trans	-72.4	39.3	-163.4	0	0	0	0	0	118.6
684	S	44.4	Very low	49.4	Very low	77 Å²	77	82.4 Å²	82.4	54%	0.538	42%	0.416	S	S	.	.			trans	-83.3	158.4	173.4	68.3	0	0	0	0	112.1	R680 N682 S686	R680-S684 WeakPolarHBondContact CD-O 3.46Å; R680-S684 PolarHBondContact NE-O 3.01Å; R680-S684 PolarHBondContact NH1-O 3.26Å; N682-S684 VanDerWaalsContact C-N 3.25Å; N682-S684 PolarHBondContact O-N 2.74Å; S684-S686 PolarHBondContact O-N 2.82Å
685	N	51.5	Low	47.7	Very low	72 Å²	72	87.6 Å²	87.6	39%	0.385	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	6.7	-155.9	-113.4	24	0	0	0	118.2	R680 R705	R680-N685 PolarHBondContact NH2-O 3.49Å; N685-R705 PolarHBondContact ND2-O 3.05Å; N685-R705 WeakPolarHBondContact OD1-CD 3.49Å; N685-R705 WeakPolarHBondContact OD1-CG 3.35Å
686	S	55.5	Low	46	Very low	49 Å²	49	88.7 Å²	88.7	34%	0.343	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-28.5	-163	63	0	0	0	0	117.1	R675 H676 S684	R675-S686 PolarHBondContact O-OG 3.43Å; R675-S686 VanDerWaalsContact O-OG 3.07Å; H676-S686 WeakPolarHBondContact CA-O 3.48Å; H676-S686 PolarHBondContact ND1-O 2.6Å; S684-S686 PolarHBondContact O-N 2.82Å
687	G	56.8	Low	44	Very low	3 Å²	3	97.7 Å²	97.7	3%	0.031	50%	0.496	C	S	.	.	S	Bend	trans	-77.3	157.8	-169.7	0	0	0	0	0	117.4	H676 R680 N706	H676-G687 CarbonylContact O-C 3.49Å; H676-G687 VanDerWaalsContact O-CA 3.31Å; H676-G687 WeakPolarHBondContact O-CA 3.21Å; R680-G687 PolarHBondContact NH2-O 2.72Å; G687-N706 PolarHBondContact O-ND2 3.41Å
688	C	56.1	Low	42.4	Very low	18 Å²	18	105.3 Å²	105.3	12%	0.122	53%	0.527	C	S	.	.			trans	-61.5	132.1	-178.2	-170.5	0	0	0	0	113.6	H676 L690 L691	H676-C688 VanDerWaalsContact CE1-CA 3.4Å; H676-C688 WeakPolarHBondContact CE1-CA 3.43Å; H676-C688 VanDerWaalsContact NE2-CB 3.25Å; H676-C688 WeakPolarHBondContact NE2-CB 3.5Å; H676-C688 PolarHBondContact NE2-SG 3.38Å; H676-C688 WeakPolarHBondContact O-CB 3.28Å; H676-C688 PolarHBondContact O-N 3.07Å; C688-L690 PolarHBondContact SG-N 2.77Å; C688-L691 HydrophobicContact CB-CB 4.15Å; C688-L691 HydrophobicContact CB-CD1 3.91Å; C688-L691 HydrophobicContact CB-CG 4.2Å
689	P	52.7	Low	41.1	Very low	72 Å²	72	113.5 Å²	113.5	47%	0.468	57%	0.565	S	S	.	*	S	Bend	trans	-76.3	-18.3	175.9	28.2	-31.2	0	0	0	114.5
690	L	48.1	Very low	40.3	Very low	111 Å²	111	114.7 Å²	114.7	58%	0.581	57%	0.574	S	S	*	*	S	Bend	trans	-108	-7.3	-170.1	-65.6	177.4	0	0	0	114.7	T662 C663 C688	T662-L690 HydrophobicContact CG2-CB 3.77Å; T662-L690 WeakPolarHBondContact O-CD1 3.21Å; C663-L690 HydrophobicContact CB-CD1 3.81Å; C663-L690 HydrophobicContact CB-CG 4.36Å; C688-L690 PolarHBondContact SG-N 2.77Å
691	L	42.2	Very low	39.5	Very low	89 Å²	89	119.6 Å²	119.6	47%	0.466	60%	0.598	S	S	.	*	S	Bend	trans	-90	9.5	176.9	-74.8	172.2	0	0	0	114.8	T662 L677 C688	T662-L691 HydrophobicContact CG2-CD2 3.87Å; T662-L691 HydrophobicContact CG2-CG 4Å; T662-L691 WeakPolarHBondContact OG1-CD2 3.23Å; T662-L691 WeakPolarHBondContact OG1-CG 3.46Å; L677-L691 HydrophobicContact CD2-CD1 3.73Å; C688-L691 HydrophobicContact CB-CB 4.15Å; C688-L691 HydrophobicContact CB-CD1 3.91Å; C688-L691 HydrophobicContact CB-CG 4.2Å
692	Y	38.5	Very low	39	Very low	142 Å²	142	115.6 Å²	115.6	56%	0.557	59%	0.592	S	S	*	*			trans	-140.7	94.2	-174.8	-165.8	-99.7	0	0	0	114	R694	Y692-R694 HydrophobicContact CD1-CB 4.4Å; Y692-R694 HydrophobicContact CE1-CB 3.81Å; Y692-R694 HydrophobicContact CE2-CB 4.48Å; Y692-R694 WeakPolarHBondContact OH-CD 2.93Å; Y692-R694 PolarHBondContact OH-NH1 2.87Å
693	I	28.9	Very low	39	Very low	172 Å²	172	116.5 Å²	116.5	88%	0.882	60%	0.596	S	S	*	*			trans	-107.2	112.6	168.2	-57.5	176.8	0	0	0	108.2
694	R	29.6	Very low	38.8	Very low	177 Å²	177	120.1 Å²	120.1	67%	0.668	60%	0.595	S	S	*	*			trans	-145	128.1	178.9	-148.9	176.4	-171.7	-178.8	1.3	111.4	Y692	Y692-R694 HydrophobicContact CD1-CB 4.4Å; Y692-R694 HydrophobicContact CE1-CB 3.81Å; Y692-R694 HydrophobicContact CE2-CB 4.48Å; Y692-R694 WeakPolarHBondContact OH-CD 2.93Å; Y692-R694 PolarHBondContact OH-NH1 2.87Å
695	S	28.4	Very low	38.1	Very low	110 Å²	110	123.9 Å²	123.9	77%	0.769	60%	0.597	S	S	*	*			trans	-80.2	123.7	-170.2	57.9	0	0	0	0	114.1
696	R	30.5	Very low	37	Very low	150 Å²	150	123 Å²	123	57%	0.566	59%	0.593	S	S	*	*	S	Bend	trans	171.5	128.1	131.9	-94.7	176.5	-173.8	-154.5	4	110.7	K698	R696-K698 PolarHBondContact O-N 3.35Å
697	K	30.9	Very low	35.9	Very low	190 Å²	190	132.7 Å²	132.7	83%	0.826	62%	0.622	S	S	*	*	S	Bend	trans	12.9	82.4	163.7	-63.3	176.1	178.9	171	0	117.7
698	K	28.9	Very low	34.6	Very low	187 Å²	187	141.2 Å²	141.2	81%	0.813	66%	0.658	S	S	*	*			trans	-163	40.9	161.5	-121.7	166.2	-170.2	171.4	0	116.6	R696 S700	R696-K698 PolarHBondContact O-N 3.35Å; K698-S700 VanDerWaalsContact C-N 3.35Å; K698-S700 PolarHBondContact O-N 2.63Å
699	E	29.2	Very low	33.3	Very low	207 Å²	207	145 Å²	145	97%	0.967	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	76.1	177.8	-66.5	-166.9	131.1	0	0	113.9
700	S	32.5	Very low	32.2	Very low	87 Å²	87	146.7 Å²	146.7	61%	0.608	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-161.2	-32.5	164.5	56.9	0	0	0	0	115.5	K698	K698-S700 VanDerWaalsContact C-N 3.35Å; K698-S700 PolarHBondContact O-N 2.63Å
701	K	32.1	Very low	31.2	Very low	187 Å²	187	146 Å²	146	81%	0.813	69%	0.689	S	S	*	*	S	Bend	trans	-103.8	2.7	-165.4	-71.8	-172.1	176	-176.6	0	117.5
702	L	29.1	Very low	30.5	Very low	130 Å²	130	149.3 Å²	149.3	68%	0.681	70%	0.701	S	S	*	*	S	Bend	trans	-120.9	-21.7	-179.5	-92.5	164.6	0	0	0	117	K704	L702-K704 PolarHBondContact O-N 2.84Å
703	L	33.9	Very low	29.8	Very low	157 Å²	157	149.3 Å²	149.3	82%	0.822	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-25.2	171.7	-107.5	70.9	0	0	0	112.9	R705	L703-R705 PolarHBondContact O-N 3.11Å; L703-R705 VanDerWaalsContact O-N 3.14Å
704	K	34.9	Very low	29.7	Very low	136 Å²	136	152.5 Å²	152.5	59%	0.591	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	4.3	-178.3	-79.8	-166.9	166.4	-172.4	0	115.5	L702 D753 S755	L702-K704 PolarHBondContact O-N 2.84Å; K704-D753 IonicContact NZ-OD1 2.72Å; K704-D753 PolarHBondContact NZ-OD1 3.16Å; K704-D753 IonicContact NZ-OD2 2.77Å; K704-D753 PolarHBondContact NZ-OD2 3.35Å; K704-S755 PolarHBondContact NZ-OG 3.02Å
705	R	29.7	Very low	29.5	Very low	156 Å²	156	149.5 Å²	149.5	59%	0.589	71%	0.714	S	S	*	*	S	Bend	trans	-119.4	-23.3	-172.8	-130.9	-179.3	170.5	153.9	1.6	118.2	N685 L703	N685-R705 PolarHBondContact ND2-O 3.05Å; N685-R705 WeakPolarHBondContact OD1-CD 3.49Å; N685-R705 WeakPolarHBondContact OD1-CG 3.35Å; L703-R705 PolarHBondContact O-N 3.11Å; L703-R705 VanDerWaalsContact O-N 3.14Å
706	N	29.5	Very low	29.5	Very low	54 Å²	54	150.7 Å²	150.7	29%	0.289	72%	0.716	S	S	.	*	S	Bend	trans	-90.6	-0.8	-174.7	-97.3	32.3	0	0	0	115.6	R680 G687 K708	R680-N706 PolarHBondContact NH2-ND2 3.28Å; R680-N706 PolarHBondContact NH2-OD1 2.8Å; G687-N706 PolarHBondContact O-ND2 3.41Å; N706-K708 PolarHBondContact O-N 2.78Å
707	R	31.8	Very low	29.4	Very low	251 Å²	251	149 Å²	149	95%	0.947	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	36.6	-174.4	-144.3	179.1	-159.5	174.5	7	114.6
708	K	29.5	Very low	29.4	Very low	183 Å²	183	144.9 Å²	144.9	80%	0.796	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137	5.6	-172	-120.7	-171.9	-177.9	-169.3	0	117	N706	N706-K708 PolarHBondContact O-N 2.78Å
709	V	27.6	Very low	29.4	Very low	97 Å²	97	144.1 Å²	144.1	59%	0.588	73%	0.728	S	S	*	*	S	Bend	trans	-145.4	84.5	172.6	-168.8	0	0	0	0	110.8	Q665	Q665-V709 PolarHBondContact NE2-O 3.13Å; Q665-V709 VanDerWaalsContact NE2-O 3.13Å
710	I	29.5	Very low	29.4	Very low	107 Å²	107	141.4 Å²	141.4	55%	0.549	72%	0.72	S	S	.	*				-157.8	89.9	129.5	-62.5	104.3	0	0	0	104.8	Q665	Q665-I710 HydrophobicContact CB-CD1 3.95Å; Q665-I710 HydrophobicContact CB-CG1 3.89Å; Q665-I710 HydrophobicContact CG-CD1 3.99Å; Q665-I710 HydrophobicContact CG-CG1 3.6Å
711	S	27.9	Very low	29.3	Very low	97 Å²	97	141.1 Å²	141.1	68%	0.678	73%	0.731	S	S	*	*			trans	-146.8	50.7	178.8	61.5	0	0	0	0	110.5
712	H	26.9	Very low	29.1	Very low	158 Å²	158	139.4 Å²	139.4	73%	0.731	73%	0.726	S	S	*	*			trans	-148.3	153.5	169.5	-84.9	-78.2	0	0	0	109.5
713	H	25.4	Very low	29	Very low	142 Å²	142	142.7 Å²	142.7	66%	0.657	73%	0.729	S	S	*	*	S	Bend	trans	71.1	66.9	177.6	-50.3	-76.7	0	0	0	118.2
714	R	24.9	Very low	28.8	Very low	240 Å²	240	139.8 Å²	139.8	91%	0.906	72%	0.722	S	S	*	*				-167.3	97.9	122.8	-107.9	177.7	-179.7	175.6	-0.6	111.8
715	S	26.9	Very low	28.4	Very low	114 Å²	114	138.1 Å²	138.1	80%	0.797	73%	0.727	S	S	*	*			trans	-173.1	85.3	166.9	55.8	0	0	0	0	111
716	T	27.4	Very low	28.4	Very low	134 Å²	134	139.7 Å²	139.7	82%	0.822	74%	0.738	S	S	*	*			trans	-169.4	153.8	169.3	-0.4	0	0	0	0	108.1
717	S	29.4	Very low	28.3	Very low	115 Å²	115	141.8 Å²	141.8	80%	0.804	76%	0.757	S	S	*	*			trans	59.1	97.7	-158.7	63.6	0	0	0	0	112
718	A	30.6	Very low	28.1	Very low	103 Å²	103	134.6 Å²	134.6	85%	0.851	75%	0.746	S	S	*	*			cis	70.8	131.5	41.8	0	0	0	0	0	113
719	Q	29.5	Very low	27.9	Very low	171 Å²	171	131.6 Å²	131.6	80%	0.799	74%	0.743	S	S	*	*	S	Bend	trans	-90.5	168.7	-171.5	-64.7	171.9	-119.9	0	0	112.6
720	D	28.9	Very low	27.9	Very low	151 Å²	151	135 Å²	135	81%	0.807	75%	0.752	S	S	*	*			trans	61.2	113.4	153.1	-49.1	-30.9	0	0	0	118.1
721	G	30.2	Very low	27.8	Very low	80 Å²	80	139.9 Å²	139.9	83%	0.825	77%	0.765	S	S	*	*			trans	-173.6	104.7	177.6	0	0	0	0	0	111.5
722	E	26.9	Very low	27.7	Very low	152 Å²	152	139.8 Å²	139.8	71%	0.71	76%	0.764	S	S	*	*			trans	-59.1	162.9	-167.4	-53.2	-175.6	132.4	0	0	118
723	R	27.8	Very low	27.6	Very low	199 Å²	199	136.3 Å²	136.3	75%	0.751	76%	0.758	S	S	*	*			trans	78.6	113.7	134.9	-90.3	171.9	173.7	126.2	0.5	122
724	S	28.9	Very low	27.6	Very low	95 Å²	95	133.5 Å²	133.5	66%	0.664	75%	0.751	S	S	*	*				69.7	94.2	124.2	70.5	0	0	0	0	121.9
725	S	26.3	Very low	27.8	Very low	102 Å²	102	126.6 Å²	126.6	71%	0.713	75%	0.745	S	S	*	*				75.2	148.5	112.8	76.6	0	0	0	0	122.3
726	K	31.5	Very low	27.8	Very low	188 Å²	188	128.9 Å²	128.9	82%	0.817	75%	0.748	S	S	*	*			trans	91	93.3	159.5	-62.4	-173.2	178.7	-177	0	119.3
727	S	26.4	Very low	27.7	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	75%	0.747	S	S	*	*				68.8	139.1	120.1	63.9	0	0	0	0	122.4
728	S	26.8	Very low	27.6	Very low	100 Å²	100	131.2 Å²	131.2	70%	0.699	74%	0.741	S	S	*	*			trans	67.9	135.5	143.4	57	0	0	0	0	118.6
729	T	26.4	Very low	27.5	Very low	120 Å²	120	133.3 Å²	133.3	74%	0.736	74%	0.738	S	S	*	*			cis	-163.5	175.7	-1.9	6.7	0	0	0	0	111.5
730	E	27.9	Very low	27.6	Very low	167 Å²	167	129.6 Å²	129.6	78%	0.78	73%	0.728	S	S	*	*			trans	85.8	121.3	149.4	-78.6	163.1	-156.7	0	0	122.9
731	Y	26.1	Very low	27.5	Very low	210 Å²	210	127.1 Å²	127.1	82%	0.824	72%	0.719	S	S	*	*			trans	78.7	85.9	139.7	-91.9	-102.9	0	0	0	124.1
732	S	25.9	Very low	27.1	Very low	95 Å²	95	133.4 Å²	133.4	66%	0.664	72%	0.724	S	S	*	*				94.8	137.6	109.5	75.4	0	0	0	0	123.3
733	S	25.3	Very low	27	Very low	86 Å²	86	136.9 Å²	136.9	60%	0.601	73%	0.73	S	S	*	*			trans	92.7	102.9	147.7	70.9	0	0	0	0	122.3
734	T	25.9	Very low	26.8	Very low	82 Å²	82	135.8 Å²	135.8	50%	0.503	74%	0.738	S	S	.	*			trans	63.6	115.2	132.8	58	0	0	0	0	122.6	N345	N345-T734 WeakPolarHBondContact OD1-CG2 3.43Å
735	A	29.7	Very low	26.6	Very low	95 Å²	95	139.4 Å²	139.4	79%	0.785	75%	0.75	S	S	*	*			trans	-163.4	131.9	142.5	0	0	0	0	0	113
736	N	25.5	Very low	26.5	Very low	162 Å²	162	140.6 Å²	140.6	87%	0.866	76%	0.755	S	S	*	*			trans	-89.3	141	170.5	-70.9	-35.9	0	0	0	111.9
737	Y	26.1	Very low	26.2	Very low	203 Å²	203	139.6 Å²	139.6	80%	0.796	76%	0.757	S	S	*	*			trans	-175.6	104.2	161.6	-112.4	-82.6	0	0	0	107.3
738	S	26.6	Very low	26.4	Very low	96 Å²	96	143.4 Å²	143.4	67%	0.671	76%	0.764	S	S	*	*				63.5	121.9	68.4	83.4	0	0	0	0	116.7
739	D	28.9	Very low	26.7	Very low	147 Å²	147	147.9 Å²	147.9	79%	0.786	77%	0.766	S	S	*	*			trans	-8.9	155.2	149.7	-146.3	45	0	0	0	117.1
740	P	32	Very low	26.8	Very low	92 Å²	92	149.2 Å²	149.2	60%	0.597	76%	0.762	S	S	*	*			cis	-162.7	-169.2	39.6	47.8	-24.4	0	0	0	121.7
741	T	25.5	Very low	27.2	Very low	99 Å²	99	149.5 Å²	149.5	61%	0.607	76%	0.76	S	S	*	*			trans	77.9	111.9	149.4	50.9	0	0	0	0	123.1
742	F	21.6	Very low	27.5	Very low	212 Å²	212	146.5 Å²	146.5	93%	0.93	75%	0.751	S	S	*	*			trans	-68.4	141.9	137.8	-96.3	-114.7	0	0	0	111.1
743	R	25.2	Very low	27.9	Very low	226 Å²	226	145.2 Å²	145.2	85%	0.853	74%	0.737	S	S	*	*			trans	-146	143.7	162.8	-76.1	-164.2	172.2	175.7	0.8	113.5
744	L	23.7	Very low	28.4	Very low	175 Å²	175	148.3 Å²	148.3	92%	0.916	75%	0.747	S	S	*	*			trans	-92	157	-174.6	-68.2	161.4	0	0	0	113.4
745	L	25	Very low	28.8	Very low	172 Å²	172	148.5 Å²	148.5	90%	0.901	75%	0.752	S	S	*	*			trans	-115.7	133.6	-178.1	-69.3	172.6	0	0	0	113.1
746	P	24.5	Very low	28.9	Very low	126 Å²	126	149.1 Å²	149.1	82%	0.818	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-100.4	139.4	163.2	-5.2	25.5	0	0	0	113.3
747	L	24.2	Very low	29.5	Very low	167 Å²	167	150.9 Å²	150.9	87%	0.874	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-77.4	135.8	180	-67.4	157.9	0	0	0	112.7
748	Q	32	Very low	30.3	Very low	180 Å²	180	142 Å²	142	84%	0.841	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-100.2	136.7	169.4	-79.1	-163.9	-17.3	0	0	112.9
749	R	31.7	Very low	31.7	Very low	194 Å²	194	140.5 Å²	140.5	73%	0.732	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-71.6	145.3	-173.3	-68.7	172.5	169.4	153.1	-5.3	113
750	F	30.1	Very low	33	Very low	147 Å²	147	139.5 Å²	139.5	65%	0.645	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-56.6	133	163	-61.6	-93.2	0	0	0	110.8	F829	F750-F829 HydrophobicContact CE1-CD2 4.35Å; F750-F829 HydrophobicContact CE1-CE2 4.02Å; F750-F829 HydrophobicContact CE2-CD2 4.07Å; F750-F829 HydrophobicContact CE2-CE2 4.35Å; F750-F829 AromaticContact CZ-CD2 3.57Å; F750-F829 HydrophobicContact CZ-CD2 3.57Å; F750-F829 AromaticContact CZ-CE2 3.69Å; F750-F829 HydrophobicContact CZ-CE2 3.69Å
751	K	36.2	Very low	34.7	Very low	174 Å²	174	135.1 Å²	135.1	76%	0.757	65%	0.653	S	S	*	*			trans	-137.1	153.8	168.1	-83.3	-167.9	169.6	-171.7	0	109.7
752	K	32.3	Very low	36	Very low	146 Å²	146	133.5 Å²	133.5	64%	0.635	64%	0.644	S	S	*	*			trans	-51.8	148.4	171.4	-70.8	174.2	176.4	172	0	110.4
753	D	33.1	Very low	37.9	Very low	68 Å²	68	126.2 Å²	126.2	36%	0.364	61%	0.612	S	S	.	*			trans	-99.7	108.1	163.5	-166.8	-32	0	0	0	109.5	K704 S755 L756	K704-D753 IonicContact NZ-OD1 2.72Å; K704-D753 PolarHBondContact NZ-OD1 3.16Å; K704-D753 IonicContact NZ-OD2 2.77Å; K704-D753 PolarHBondContact NZ-OD2 3.35Å; D753-S755 PolarHBondContact O-N 2.9Å; D753-S755 PolarHBondContact OD1-N 2.74Å; D753-S755 PolarHBondContact OD1-OG 3.03Å; D753-L756 CarbonylContact O-C 3.51Å; D753-L756 PolarHBondContact O-N 2.81Å
754	D	35.7	Very low	40.1	Very low	152 Å²	152	117.4 Å²	117.4	81%	0.813	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	15.2	-178.7	-46.9	-53.4	0	0	0	114.1
755	S	34.5	Very low	42.1	Very low	86 Å²	86	115.1 Å²	115.1	60%	0.601	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	-0.1	169.6	32.4	0	0	0	0	114.4	K704 D753	K704-S755 PolarHBondContact NZ-OG 3.02Å; D753-S755 PolarHBondContact O-N 2.9Å; D753-S755 PolarHBondContact OD1-N 2.74Å; D753-S755 PolarHBondContact OD1-OG 3.03Å
756	L	32.8	Very low	44.1	Very low	108 Å²	108	112.7 Å²	112.7	57%	0.565	56%	0.56	S	S	*	*	S	Bend	trans	-154.9	103.2	171.6	-101.4	161.6	0	0	0	108.3	D753 G758 I767	D753-L756 CarbonylContact O-C 3.51Å; D753-L756 PolarHBondContact O-N 2.81Å; L756-G758 PolarHBondContact O-N 2.98Å; L756-I767 HydrophobicContact CD1-CD1 4.14Å
757	F	37.8	Very low	46	Very low	199 Å²	199	110.6 Å²	110.6	87%	0.873	54%	0.541	S	S	*	.	S	Bend	trans	-58.1	92.4	-179.1	-94.3	-93.7	0	0	0	111.8	K769	F757-K769 VanDerWaalsContact O-CA 3.32Å; F757-K769 WeakPolarHBondContact O-CA 3.27Å
758	G	42	Very low	48	Very low	15 Å²	15	102.9 Å²	102.9	16%	0.155	50%	0.501	C	S	.	.	S	Bend	trans	169.1	173.4	176.2	0	0	0	0	0	116.4	L756 C768	L756-G758 PolarHBondContact O-N 2.98Å; G758-C768 CarbonylContact C-O 3.58Å; G758-C768 WeakPolarHBondContact CA-O 3.28Å
759	F	57.2	Low	49.1	Very low	66 Å²	66	101.4 Å²	101.4	29%	0.289	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.1	-178.8	-63.5	-103.5	0	0	0	108.4	C768 L771 I774	F759-C768 PolarHBondContact N-O 2.66Å; F759-C768 PolarHBondContact O-N 2.78Å; F759-L771 HydrophobicContact CD1-CD2 3.63Å; F759-L771 HydrophobicContact CD1-CG 4.22Å; F759-L771 HydrophobicContact CE1-CD1 4.43Å; F759-L771 HydrophobicContact CE1-CD2 3.53Å; F759-L771 HydrophobicContact CE1-CG 3.74Å; F759-L771 HydrophobicContact CE2-CG 4.09Å; F759-L771 HydrophobicContact CG-CD2 4.19Å; F759-L771 HydrophobicContact CZ-CD1 4.36Å; F759-L771 HydrophobicContact CZ-CD2 4.02Å; F759-L771 HydrophobicContact CZ-CG 3.68Å; F759-I774 HydrophobicContact CB-CB 4.36Å; F759-I774 HydrophobicContact CB-CD1 3.93Å
760	K	55.4	Low	50.5	Low	125 Å²	125	94.1 Å²	94.1	54%	0.543	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	134.3	178.3	-162.3	-154.4	169.2	-165.1	0	110.8	C764 K766 I767 I774	K760-C764 WeakPolarHBondContact CE-O 3.48Å; K760-K766 WeakPolarHBondContact CA-O 3.26Å; K760-I767 HydrophobicContact CB-CG1 4.47Å; K760-I767 HydrophobicContact CG-CG1 4.22Å; K760-I774 WeakPolarHBondContact O-CD1 3.21Å
761	C	67.7	Low	52	Low	1 Å²	1	88.2 Å²	88.2	1%	0.007	45%	0.446	C	S	.	.			trans	-62.8	141.3	166	-168.3	0	0	0	0	111.1	F763 C764 K766 H777	C761-F763 PolarHBondContact SG-N 3.06Å; C761-F763 VanDerWaalsContact SG-N 3.37Å; C761-C764 VanDerWaalsContact O-O 3.07Å; C761-K766 PolarHBondContact N-O 3.26Å; C761-H777 VanDerWaalsContact CB-NE2 3.28Å; C761-H777 WeakPolarHBondContact CB-NE2 3.25Å; C761-H777 PolarHBondContact SG-NE2 3.13Å
762	P	52.9	Low	53.6	Low	64 Å²	64	87.4 Å²	87.4	42%	0.416	44%	0.442	S	S	.	.	S	Bend	trans	-77.1	-29.5	168.4	31.6	-35	0	0	0	112.3	F829	P762-F829 VanDerWaalsContact CD-CZ 3.44Å; P762-F829 HydrophobicContact CG-CD1 3.85Å; P762-F829 HydrophobicContact CG-CD2 4.2Å; P762-F829 HydrophobicContact CG-CE1 3.47Å; P762-F829 VanDerWaalsContact CG-CE1 3.47Å; P762-F829 HydrophobicContact CG-CE2 3.84Å; P762-F829 HydrophobicContact CG-CG 4.2Å; P762-F829 HydrophobicContact CG-CZ 3.46Å; P762-F829 VanDerWaalsContact CG-CZ 3.46Å
763	F	61.9	Low	55.7	Low	60 Å²	60	83.8 Å²	83.8	26%	0.263	43%	0.428	S	S	.	.	S	Bend	trans	-88	-8.7	-172.8	-48.3	-60.2	0	0	0	114.1	C761 L778 H782 L785 T826 F829	C761-F763 PolarHBondContact SG-N 3.06Å; C761-F763 VanDerWaalsContact SG-N 3.37Å; F763-L778 HydrophobicContact CD2-CD2 3.51Å; F763-L778 HydrophobicContact CE2-CD2 3.69Å; F763-H782 VanDerWaalsContact CB-CE1 3.46Å; F763-H782 WeakPolarHBondContact CB-CE1 3.45Å; F763-H782 PolarHBondContact O-CE1 3.29Å; F763-L785 HydrophobicContact CB-CD1 4.14Å; F763-L785 HydrophobicContact CD1-CD1 3.64Å; F763-L785 HydrophobicContact CD2-CD1 3.73Å; F763-L785 HydrophobicContact CE1-CD1 3.91Å; F763-L785 HydrophobicContact CE2-CD1 3.99Å; F763-L785 HydrophobicContact CG-CD1 3.56Å; F763-L785 HydrophobicContact CZ-CD1 4.08Å; F763-T826 HydrophobicContact CE1-CG2 4.05Å; F763-T826 HydrophobicContact CZ-CG2 4.03Å; F763-F829 HydrophobicContact CE2-CD1 4.11Å; F763-F829 AromaticContact CE2-CE1 3.93Å; F763-F829 HydrophobicContact CE2-CE1 3.93Å; F763-F829 AromaticContact CZ-CD1 3.92Å; F763-F829 HydrophobicContact CZ-CD1 3.92Å; F763-F829 HydrophobicContact CZ-CE1 4.22Å
764	C	72.3	Confident	57.4	Low	40 Å²	40	80.8 Å²	80.8	27%	0.27	41%	0.411	S	S	.	.	S	Bend	trans	-156.2	-167.9	169.6	78.2	0	0	0	0	112.8	K760 C761 K766 H777 H782	K760-C764 WeakPolarHBondContact CE-O 3.48Å; C761-C764 VanDerWaalsContact O-O 3.07Å; C764-K766 VanDerWaalsContact SG-CB 3.57Å; C764-K766 PolarHBondContact SG-N 3.21Å; C764-K766 VanDerWaalsContact SG-N 3.38Å; C764-H777 PolarHBondContact SG-CE1 2.86Å; C764-H777 PolarHBondContact SG-NE2 3.17Å; C764-H782 PolarHBondContact SG-NE2 3.11Å; C764-H782 VanDerWaalsContact SG-NE2 3.4Å
765	V	64.9	Low	59.2	Low	127 Å²	127	77.6 Å²	77.6	77%	0.77	39%	0.391	S	S	*	.	S	Bend	trans	-83.3	-7.4	-177.5	-139.2	0	0	0	0	114
766	K	67	Low	61.2	Low	121 Å²	121	75.9 Å²	75.9	53%	0.526	38%	0.377	S	S	.	.			trans	-63.7	135.8	-172.7	-165.2	80.9	173.9	-165.4	0	112.1	K760 C761 C764 H777	K760-K766 WeakPolarHBondContact CA-O 3.26Å; C761-K766 PolarHBondContact N-O 3.26Å; C764-K766 VanDerWaalsContact SG-CB 3.57Å; C764-K766 PolarHBondContact SG-N 3.21Å; C764-K766 VanDerWaalsContact SG-N 3.38Å; K766-H777 WeakPolarHBondContact CB-NE2 3.22Å
767	I	63.9	Low	63.4	Low	83 Å²	83	71 Å²	71	43%	0.426	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.7	167.6	-58.4	173.6	0	0	0	107.7	L756 K760	L756-I767 HydrophobicContact CD1-CD1 4.14Å; K760-I767 HydrophobicContact CB-CG1 4.47Å; K760-I767 HydrophobicContact CG-CG1 4.22Å
768	C	67.2	Low	64.9	Low	5 Å²	5	61.6 Å²	61.6	3%	0.034	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.6	-170.7	-72.2	0	0	0	0	111.2	G758 F759 S770 H773 I774 H777	G758-C768 CarbonylContact C-O 3.58Å; G758-C768 WeakPolarHBondContact CA-O 3.28Å; F759-C768 PolarHBondContact N-O 2.66Å; F759-C768 PolarHBondContact O-N 2.78Å; C768-S770 PolarHBondContact O-N 3.48Å; C768-H773 VanDerWaalsContact CB-C 3.49Å; C768-H773 HydrophobicContact CB-CB 3.74Å; C768-H773 PolarHBondContact SG-O 3.18Å; C768-I774 HydrophobicContact CB-CB 3.96Å; C768-I774 HydrophobicContact CB-CG1 4.37Å; C768-H777 WeakPolarHBondContact SG-CB 3.48Å
769	K	54.6	Low	66.3	Low	148 Å²	148	63.4 Å²	63.4	64%	0.643	32%	0.321	S	S	*	.	S	Bend	trans	-62.6	-9.6	-165.1	64.7	-175	175.9	-178	0	117.6	F757 H773	F757-K769 VanDerWaalsContact O-CA 3.32Å; F757-K769 WeakPolarHBondContact O-CA 3.27Å; K769-H773 WeakPolarHBondContact CE-CE1 3.31Å; K769-H773 WeakPolarHBondContact CE-NE2 3.48Å; K769-H773 HydrophobicContact CG-CB 4.48Å
770	S	62	Low	67.3	Low	42 Å²	42	67 Å²	67	29%	0.294	34%	0.338	S	S	.	.	S	Bend	trans	-156.3	173	166.6	68	0	0	0	0	110.8	C768 K772 H773 I774	C768-S770 PolarHBondContact O-N 3.48Å; S770-K772 PolarHBondContact O-N 2.97Å; S770-K772 PolarHBondContact OG-N 2.89Å; S770-H773 CarbonylContact O-C 3.52Å; S770-H773 WeakPolarHBondContact O-CA 3.31Å; S770-H773 WeakPolarHBondContact O-CB 3.28Å; S770-H773 PolarHBondContact O-N 3.25Å; S770-H773 PolarHBondContact OG-ND1 3Å; S770-I774 PolarHBondContact O-N 3.43Å
771	L	61.6	Low	68.3	Low	22 Å²	22	65 Å²	65	12%	0.115	34%	0.337	C	S	.	.	H	α-helix	trans	-56.8	-36.3	172.7	-71.7	170.7	0	0	0	112.4	F759 H773 I774 H775 M837 H840	F759-L771 HydrophobicContact CD1-CD2 3.63Å; F759-L771 HydrophobicContact CD1-CG 4.22Å; F759-L771 HydrophobicContact CE1-CD1 4.43Å; F759-L771 HydrophobicContact CE1-CD2 3.53Å; F759-L771 HydrophobicContact CE1-CG 3.74Å; F759-L771 HydrophobicContact CE2-CG 4.09Å; F759-L771 HydrophobicContact CG-CD2 4.19Å; F759-L771 HydrophobicContact CZ-CD1 4.36Å; F759-L771 HydrophobicContact CZ-CD2 4.02Å; F759-L771 HydrophobicContact CZ-CG 3.68Å; L771-H773 PolarHBondContact O-N 2.85Å; L771-I774 HydrophobicContact CD2-CG2 4.15Å; L771-I774 WeakPolarHBondContact O-CG2 3.39Å; L771-I774 PolarHBondContact O-N 2.87Å; L771-I774 VanDerWaalsContact O-N 3.13Å; L771-H775 PolarHBondContact O-N 3.48Å; L771-M837 HydrophobicContact CB-CE 3.68Å; L771-M837 HydrophobicContact CB-SD 4.02Å; L771-H840 HydrophobicContact CD1-CB 4.32Å; L771-H840 VanDerWaalsContact CD1-CD2 3.47Å; L771-H840 WeakPolarHBondContact CD1-CD2 3.17Å
772	K	69.8	Low	68.6	Low	158 Å²	158	66.1 Å²	66.1	69%	0.687	34%	0.342	S	S	*	.	H	α-helix	trans	-56.4	-40.5	171.7	-170.3	171.4	-177	173.4	0	111.5	S770 T776	S770-K772 PolarHBondContact O-N 2.97Å; S770-K772 PolarHBondContact OG-N 2.89Å; K772-T776 WeakPolarHBondContact O-CB 3.25Å; K772-T776 PolarHBondContact O-N 3.24Å; K772-T776 PolarHBondContact O-OG1 2.96Å
773	H	74.7	Confident	69.1	Low	70 Å²	70	66.6 Å²	66.6	32%	0.324	35%	0.347	S	S	.	.	H	α-helix	trans	-76.1	-27.5	177.6	-64.4	83.1	0	0	0	113.8	C768 K769 S770 L771 H777	C768-H773 VanDerWaalsContact CB-C 3.49Å; C768-H773 HydrophobicContact CB-CB 3.74Å; C768-H773 PolarHBondContact SG-O 3.18Å; K769-H773 WeakPolarHBondContact CE-CE1 3.31Å; K769-H773 WeakPolarHBondContact CE-NE2 3.48Å; K769-H773 HydrophobicContact CG-CB 4.48Å; S770-H773 CarbonylContact O-C 3.52Å; S770-H773 WeakPolarHBondContact O-CA 3.31Å; S770-H773 WeakPolarHBondContact O-CB 3.28Å; S770-H773 PolarHBondContact O-N 3.25Å; S770-H773 PolarHBondContact OG-ND1 3Å; L771-H773 PolarHBondContact O-N 2.85Å; H773-H777 WeakPolarHBondContact O-CB 3.38Å; H773-H777 PolarHBondContact O-N 2.76Å
774	I	69.6	Low	68.8	Low	5 Å²	5	68.4 Å²	68.4	3%	0.026	37%	0.367	C	S	.	.	H	α-helix	trans	-72.6	-38.6	172.8	-152.7	170.6	0	0	0	109.9	F759 K760 C768 S770 L771 L778 L833	F759-I774 HydrophobicContact CB-CB 4.36Å; F759-I774 HydrophobicContact CB-CD1 3.93Å; K760-I774 WeakPolarHBondContact O-CD1 3.21Å; C768-I774 HydrophobicContact CB-CB 3.96Å; C768-I774 HydrophobicContact CB-CG1 4.37Å; S770-I774 PolarHBondContact O-N 3.43Å; L771-I774 HydrophobicContact CD2-CG2 4.15Å; L771-I774 WeakPolarHBondContact O-CG2 3.39Å; L771-I774 PolarHBondContact O-N 2.87Å; L771-I774 VanDerWaalsContact O-N 3.13Å; I774-L778 HydrophobicContact CG1-CD1 4.28Å; I774-L778 HydrophobicContact CG1-CG 4.48Å; I774-L778 VanDerWaalsContact O-CB 3.27Å; I774-L778 WeakPolarHBondContact O-CB 3.16Å; I774-L778 WeakPolarHBondContact O-CD1 3.27Å; I774-L778 WeakPolarHBondContact O-CG 3.33Å; I774-L778 PolarHBondContact O-N 2.85Å; I774-L833 HydrophobicContact CG2-CD1 4.01Å
775	H	73.5	Confident	67.8	Low	85 Å²	85	69.9 Å²	69.9	39%	0.394	37%	0.372	S	S	.	.	H	α-helix	trans	-59.4	-52	170.4	-173	-61.7	0	0	0	111.6	L771 H777 L778 S779 M837	L771-H775 PolarHBondContact O-N 3.48Å; H775-H777 PolarHBondContact O-N 3.36Å; H775-L778 PolarHBondContact O-N 3.4Å; H775-S779 PolarHBondContact O-N 3.31Å; H775-S779 PolarHBondContact O-OG 2.73Å; H775-S779 VanDerWaalsContact O-OG 3.06Å; H775-M837 HydrophobicContact CB-SD 4.09Å
776	T	76	Confident	67	Low	49 Å²	49	65.7 Å²	65.7	30%	0.301	34%	0.344	S	S	.	.	H	α-helix	trans	-55.5	-50.5	177.4	-64.7	0	0	0	0	112	K772 L778 S779 E780	K772-T776 WeakPolarHBondContact O-CB 3.25Å; K772-T776 PolarHBondContact O-N 3.24Å; K772-T776 PolarHBondContact O-OG1 2.96Å; T776-L778 PolarHBondContact O-N 3.09Å; T776-S779 WeakPolarHBondContact CA-OG 3.49Å; T776-S779 PolarHBondContact O-N 3.11Å; T776-S779 VanDerWaalsContact O-N 3.16Å; T776-S779 PolarHBondContact O-OG 2.88Å; T776-E780 HydrophobicContact CG2-CG 4.28Å; T776-E780 WeakPolarHBondContact CG2-OE1 3.41Å; T776-E780 WeakPolarHBondContact O-CB 3.19Å; T776-E780 VanDerWaalsContact O-CG 3.27Å; T776-E780 WeakPolarHBondContact O-CG 3.48Å; T776-E780 PolarHBondContact O-N 3.32Å
777	H	79.8	Confident	66.1	Low	7 Å²	7	65.1 Å²	65.1	3%	0.032	35%	0.347	C	S	.	.	H	α-helix	trans	-62.8	-38.4	177.3	163.7	48.9	0	0	0	113	C761 C764 K766 C768 H773 H775 E780 T781 H782	C761-H777 VanDerWaalsContact CB-NE2 3.28Å; C761-H777 WeakPolarHBondContact CB-NE2 3.25Å; C761-H777 PolarHBondContact SG-NE2 3.13Å; C764-H777 PolarHBondContact SG-CE1 2.86Å; C764-H777 PolarHBondContact SG-NE2 3.17Å; K766-H777 WeakPolarHBondContact CB-NE2 3.22Å; C768-H777 WeakPolarHBondContact SG-CB 3.48Å; H773-H777 WeakPolarHBondContact O-CB 3.38Å; H773-H777 PolarHBondContact O-N 2.76Å; H775-H777 PolarHBondContact O-N 3.36Å; H777-E780 PolarHBondContact O-N 2.75Å; H777-T781 VanDerWaalsContact CE1-CB 3.45Å; H777-T781 WeakPolarHBondContact CE1-CB 3.35Å; H777-T781 PolarHBondContact CE1-OG1 2.98Å; H777-T781 WeakPolarHBondContact ND1-CB 3.49Å; H777-T781 PolarHBondContact ND1-OG1 3.12Å; H777-T781 WeakPolarHBondContact O-CA 3.17Å; H777-T781 VanDerWaalsContact O-CB 3.31Å; H777-T781 WeakPolarHBondContact O-CB 3.36Å; H777-T781 PolarHBondContact O-N 2.99Å; H777-T781 PolarHBondContact O-OG1 2.87Å; H777-H782 AromaticContact CE1-CD2 3.53Å; H777-H782 AromaticContact CE1-NE2 3.36Å; H777-H782 PolarHBondContact CE1-NE2 3.01Å; H777-H782 AromaticContact NE2-CD2 3.54Å; H777-H782 AromaticContact NE2-NE2 3.4Å; H777-H782 PolarHBondContact NE2-NE2 2.98Å
778	L	69.2	Low	65	Low	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-42.8	174	-73.7	167.3	0	0	0	110.6	F763 I774 H775 T776 H782 S783 M786 L833	F763-L778 HydrophobicContact CD2-CD2 3.51Å; F763-L778 HydrophobicContact CE2-CD2 3.69Å; I774-L778 HydrophobicContact CG1-CD1 4.28Å; I774-L778 HydrophobicContact CG1-CG 4.48Å; I774-L778 VanDerWaalsContact O-CB 3.27Å; I774-L778 WeakPolarHBondContact O-CB 3.16Å; I774-L778 WeakPolarHBondContact O-CD1 3.27Å; I774-L778 WeakPolarHBondContact O-CG 3.33Å; I774-L778 PolarHBondContact O-N 2.85Å; H775-L778 PolarHBondContact O-N 3.4Å; T776-L778 PolarHBondContact O-N 3.09Å; L778-H782 HydrophobicContact CD2-CB 4.16Å; L778-H782 CarbonylContact O-C 2.92Å; L778-H782 WeakPolarHBondContact O-CA 3.43Å; L778-H782 WeakPolarHBondContact O-CB 3.39Å; L778-H782 PolarHBondContact O-N 3.43Å; L778-S783 PolarHBondContact O-N 2.86Å; L778-M786 HydrophobicContact CB-CE 3.88Å; L778-M786 HydrophobicContact CB-CG 3.6Å; L778-M786 HydrophobicContact CB-SD 3.69Å; L778-M786 HydrophobicContact CD1-SD 4.22Å; L778-M786 HydrophobicContact CG-SD 4.46Å; L778-M786 WeakPolarHBondContact O-CG 3.19Å; L778-L833 HydrophobicContact CD1-CD1 3.85Å; L778-L833 HydrophobicContact CD1-CD2 4.36Å
779	S	72.2	Confident	63.6	Low	54 Å²	54	66.6 Å²	66.6	38%	0.378	36%	0.36	S	S	.	.	H	α-helix	trans	-69.9	-29	176.3	49	0	0	0	0	114.5	H775 T776 S783	H775-S779 PolarHBondContact O-N 3.31Å; H775-S779 PolarHBondContact O-OG 2.73Å; H775-S779 VanDerWaalsContact O-OG 3.06Å; T776-S779 WeakPolarHBondContact CA-OG 3.49Å; T776-S779 PolarHBondContact O-N 3.11Å; T776-S779 VanDerWaalsContact O-N 3.16Å; T776-S779 PolarHBondContact O-OG 2.88Å; S779-S783 WeakPolarHBondContact O-CB 3.4Å
780	E	77.5	Confident	62.6	Low	140 Å²	140	64.4 Å²	64.4	65%	0.654	36%	0.359	S	S	*	.	H	α-helix	trans	-90.1	-37.9	-177.4	-71.7	169.2	171.6	0	0	113.5	T776 H777	T776-E780 HydrophobicContact CG2-CG 4.28Å; T776-E780 WeakPolarHBondContact CG2-OE1 3.41Å; T776-E780 WeakPolarHBondContact O-CB 3.19Å; T776-E780 VanDerWaalsContact O-CG 3.27Å; T776-E780 WeakPolarHBondContact O-CG 3.48Å; T776-E780 PolarHBondContact O-N 3.32Å; H777-E780 PolarHBondContact O-N 2.75Å
781	T	76.1	Confident	61.2	Low	85 Å²	85	67.2 Å²	67.2	52%	0.521	37%	0.366	S	S	.	.	H	α-helix	trans	-112.6	-16.6	-171.1	-37.4	0	0	0	0	112.9	H777	H777-T781 VanDerWaalsContact CE1-CB 3.45Å; H777-T781 WeakPolarHBondContact CE1-CB 3.35Å; H777-T781 PolarHBondContact CE1-OG1 2.98Å; H777-T781 WeakPolarHBondContact ND1-CB 3.49Å; H777-T781 PolarHBondContact ND1-OG1 3.12Å; H777-T781 WeakPolarHBondContact O-CA 3.17Å; H777-T781 VanDerWaalsContact O-CB 3.31Å; H777-T781 WeakPolarHBondContact O-CB 3.36Å; H777-T781 PolarHBondContact O-N 2.99Å; H777-T781 PolarHBondContact O-OG1 2.87Å
782	H	74.6	Confident	59.8	Low	23 Å²	23	71.3 Å²	71.3	11%	0.106	38%	0.383	C	S	.	.			trans	-131.7	35.9	-179.8	-59	-65.8	0	0	0	110.8	F763 C764 H777 L778 S784 L785 M786	F763-H782 VanDerWaalsContact CB-CE1 3.46Å; F763-H782 WeakPolarHBondContact CB-CE1 3.45Å; F763-H782 PolarHBondContact O-CE1 3.29Å; C764-H782 PolarHBondContact SG-NE2 3.11Å; C764-H782 VanDerWaalsContact SG-NE2 3.4Å; H777-H782 AromaticContact CE1-CD2 3.53Å; H777-H782 AromaticContact CE1-NE2 3.36Å; H777-H782 PolarHBondContact CE1-NE2 3.01Å; H777-H782 AromaticContact NE2-CD2 3.54Å; H777-H782 AromaticContact NE2-NE2 3.4Å; H777-H782 PolarHBondContact NE2-NE2 2.98Å; L778-H782 HydrophobicContact CD2-CB 4.16Å; L778-H782 CarbonylContact O-C 2.92Å; L778-H782 WeakPolarHBondContact O-CA 3.43Å; L778-H782 WeakPolarHBondContact O-CB 3.39Å; L778-H782 PolarHBondContact O-N 3.43Å; H782-S784 PolarHBondContact O-N 2.76Å; H782-L785 HydrophobicContact CB-CB 4.36Å; H782-L785 HydrophobicContact CB-CD1 4.26Å; H782-L785 WeakPolarHBondContact O-CA 3.39Å; H782-L785 WeakPolarHBondContact O-CB 3.33Å; H782-L785 PolarHBondContact O-N 3.28Å; H782-M786 PolarHBondContact O-N 3.42Å; H782-M786 VanDerWaalsContact O-N 3.1Å
783	S	62.3	Low	58.1	Low	75 Å²	75	67.1 Å²	67.1	52%	0.524	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-37.6	-176	52.2	0	0	0	0	113.2	L778 S779 L785 M786 N787	L778-S783 PolarHBondContact O-N 2.86Å; S779-S783 WeakPolarHBondContact O-CB 3.4Å; S783-L785 VanDerWaalsContact C-N 3.29Å; S783-L785 PolarHBondContact O-N 3.17Å; S783-M786 PolarHBondContact O-N 3.1Å; S783-N787 PolarHBondContact O-N 3.02Å
784	S	55.8	Low	56	Low	97 Å²	97	68 Å²	68	68%	0.678	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.2	173.2	51.2	0	0	0	0	113.8	H782	H782-S784 PolarHBondContact O-N 2.76Å
785	L	51.9	Low	54.1	Low	71 Å²	71	74 Å²	74	37%	0.372	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-15.9	177	-57.8	177.6	0	0	0	112.9	F763 H782 S783	F763-L785 HydrophobicContact CB-CD1 4.14Å; F763-L785 HydrophobicContact CD1-CD1 3.64Å; F763-L785 HydrophobicContact CD2-CD1 3.73Å; F763-L785 HydrophobicContact CE1-CD1 3.91Å; F763-L785 HydrophobicContact CE2-CD1 3.99Å; F763-L785 HydrophobicContact CG-CD1 3.56Å; F763-L785 HydrophobicContact CZ-CD1 4.08Å; H782-L785 HydrophobicContact CB-CB 4.36Å; H782-L785 HydrophobicContact CB-CD1 4.26Å; H782-L785 WeakPolarHBondContact O-CA 3.39Å; H782-L785 WeakPolarHBondContact O-CB 3.33Å; H782-L785 PolarHBondContact O-N 3.28Å; S783-L785 VanDerWaalsContact C-N 3.29Å; S783-L785 PolarHBondContact O-N 3.17Å
786	M	48	Very low	52.1	Low	39 Å²	39	74.4 Å²	74.4	19%	0.192	43%	0.428	C	S	.	.			trans	-95	11.6	176.9	-72.9	-68.1	-85.7	0	0	113.5	L778 H782 S783 L788 L830	L778-M786 HydrophobicContact CB-CE 3.88Å; L778-M786 HydrophobicContact CB-CG 3.6Å; L778-M786 HydrophobicContact CB-SD 3.69Å; L778-M786 HydrophobicContact CD1-SD 4.22Å; L778-M786 HydrophobicContact CG-SD 4.46Å; L778-M786 WeakPolarHBondContact O-CG 3.19Å; H782-M786 PolarHBondContact O-N 3.42Å; H782-M786 VanDerWaalsContact O-N 3.1Å; S783-M786 PolarHBondContact O-N 3.1Å; M786-L788 PolarHBondContact O-N 2.88Å; M786-L830 HydrophobicContact SD-CD2 4.34Å
787	N	46.8	Very low	49.8	Very low	110 Å²	110	80.6 Å²	80.6	59%	0.588	45%	0.451	S	S	*	.			trans	-78.1	60.7	-176.7	-149.9	-11.3	0	0	0	112.1	S783 S789	S783-N787 PolarHBondContact O-N 3.02Å; N787-S789 PolarHBondContact O-N 3.04Å; N787-S789 PolarHBondContact O-OG 3.07Å; N787-S789 PolarHBondContact OD1-OG 2.79Å
788	L	40.8	Very low	47.2	Very low	49 Å²	49	90.2 Å²	90.2	26%	0.257	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	3.7	-174.9	-95.4	72.6	0	0	0	114.9	M786 V790 F791 K792	M786-L788 PolarHBondContact O-N 2.88Å; L788-V790 VanDerWaalsContact C-N 3.26Å; L788-V790 PolarHBondContact O-N 2.77Å; L788-F791 HydrophobicContact CG-CB 4.49Å; L788-F791 PolarHBondContact O-N 2.98Å; L788-F791 VanDerWaalsContact O-N 3.12Å; L788-K792 PolarHBondContact O-N 3.01Å
789	S	38.3	Very low	45.2	Very low	69 Å²	69	96 Å²	96	48%	0.483	53%	0.529	S	S	.	.	H	α-helix	trans	-55.1	-40.5	174	51.6	0	0	0	0	112.1	N787 S793	N787-S789 PolarHBondContact O-N 3.04Å; N787-S789 PolarHBondContact O-OG 3.07Å; N787-S789 PolarHBondContact OD1-OG 2.79Å; S789-S793 WeakPolarHBondContact O-CB 3.28Å; S789-S793 PolarHBondContact O-N 3.35Å; S789-S793 PolarHBondContact O-OG 2.98Å
790	V	34.7	Very low	43.1	Very low	102 Å²	102	97.8 Å²	97.8	62%	0.618	55%	0.546	S	S	*	.	H	α-helix	trans	-68.9	-38.3	175.6	-174.9	0	0	0	0	111.9	L788 S793 T794	L788-V790 VanDerWaalsContact C-N 3.26Å; L788-V790 PolarHBondContact O-N 2.77Å; V790-S793 PolarHBondContact O-OG 3.25Å; V790-T794 PolarHBondContact O-OG1 3.01Å
791	F	32.2	Very low	40.6	Very low	101 Å²	101	98.6 Å²	98.6	44%	0.443	56%	0.555	S	S	.	*	H	α-helix	trans	-74.9	-40.4	-177.4	-130.3	-95.6	0	0	0	112.3	L788 L795 L831	L788-F791 HydrophobicContact CG-CB 4.49Å; L788-F791 PolarHBondContact O-N 2.98Å; L788-F791 VanDerWaalsContact O-N 3.12Å; F791-L795 HydrophobicContact CD1-CD1 3.9Å; F791-L795 HydrophobicContact CE1-CD1 4.15Å; F791-L795 PolarHBondContact O-N 3.44Å; F791-L831 HydrophobicContact CE1-CD2 4.12Å
792	K	32.5	Very low	38.3	Very low	108 Å²	108	102.1 Å²	102.1	47%	0.47	57%	0.57	S	S	.	*	H	α-helix	trans	-79.3	-30.5	-176.4	-70.9	-173.1	170.8	-179.6	0	114.3	L788 S796 E834	L788-K792 PolarHBondContact O-N 3.01Å; K792-S796 WeakPolarHBondContact O-CB 3.44Å; K792-S796 PolarHBondContact O-OG 2.88Å; K792-E834 WeakPolarHBondContact CE-OE1 3.5Å; K792-E834 IonicContact NZ-OE1 2.69Å; K792-E834 PolarHBondContact NZ-OE1 2.88Å
793	S	33.3	Very low	36.1	Very low	70 Å²	70	108.2 Å²	108.2	49%	0.49	60%	0.604	S	S	.	*	H	α-helix	trans	-67.1	-41.5	171.8	50.9	0	0	0	0	112	S789 V790 S796	S789-S793 WeakPolarHBondContact O-CB 3.28Å; S789-S793 PolarHBondContact O-N 3.35Å; S789-S793 PolarHBondContact O-OG 2.98Å; V790-S793 PolarHBondContact O-OG 3.25Å; S793-S796 PolarHBondContact O-N 3.38Å
794	T	31.8	Very low	34.5	Very low	88 Å²	88	110.9 Å²	110.9	54%	0.54	62%	0.617	S	S	.	*	H	α-helix	trans	-68.4	-38.2	-178.8	-51	0	0	0	0	112.7	V790 S796	V790-T794 PolarHBondContact O-OG1 3.01Å; T794-S796 VanDerWaalsContact C-N 3.33Å; T794-S796 PolarHBondContact O-N 2.98Å
795	L	29.1	Very low	33.2	Very low	132 Å²	132	112.4 Å²	112.4	69%	0.691	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-8.4	179.1	-78.9	165.1	0	0	0	115.1	F791	F791-L795 HydrophobicContact CD1-CD1 3.9Å; F791-L795 HydrophobicContact CE1-CD1 4.15Å; F791-L795 PolarHBondContact O-N 3.44Å
796	S	30.1	Very low	32.2	Very low	94 Å²	94	113.3 Å²	113.3	66%	0.657	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-9.6	-176	-58.8	0	0	0	0	114.5	K792 S793 T794 K798	K792-S796 WeakPolarHBondContact O-CB 3.44Å; K792-S796 PolarHBondContact O-OG 2.88Å; S793-S796 PolarHBondContact O-N 3.38Å; T794-S796 VanDerWaalsContact C-N 3.33Å; T794-S796 PolarHBondContact O-N 2.98Å; S796-K798 PolarHBondContact O-N 3.14Å; S796-K798 VanDerWaalsContact O-N 3.15Å
797	K	27.6	Very low	31.3	Very low	178 Å²	178	117.1 Å²	117.1	77%	0.774	65%	0.647	S	S	*	*			trans	-87	78.3	178.3	-73.3	-169.9	174.6	-174.9	0	112.1	T799	K797-T799 PolarHBondContact O-N 3.33Å
798	K	26	Very low	30.5	Very low	209 Å²	209	116 Å²	116	91%	0.909	64%	0.644	S	S	*	*			trans	-73.1	92.9	156.5	-79.8	-170.5	172.5	-170.9	0	109.3	S796	S796-K798 PolarHBondContact O-N 3.14Å; S796-K798 VanDerWaalsContact O-N 3.15Å
799	T	27.4	Very low	30	Very low	123 Å²	123	116.6 Å²	116.6	76%	0.755	65%	0.652	S	S	*	*			trans	-133.8	144.9	165	43.6	0	0	0	0	108.3	K797	K797-T799 PolarHBondContact O-N 3.33Å
800	A	27.1	Very low	29.7	Very low	90 Å²	90	119 Å²	119	74%	0.744	66%	0.659	S	S	*	*			trans	-74.4	171.7	-162.7	0	0	0	0	0	115
801	N	26.8	Very low	29.5	Very low	157 Å²	157	118.9 Å²	118.9	84%	0.84	65%	0.654	S	S	*	*	S	Bend	trans	81.1	156.1	171.4	-55.4	3.1	0	0	0	116
802	D	27.2	Very low	29.4	Very low	159 Å²	159	121 Å²	121	85%	0.85	67%	0.665	S	S	*	*			trans	-62.5	134.7	-174.6	-64.8	-78.8	0	0	0	112.9
803	D	28.7	Very low	29.2	Very low	151 Å²	151	122.9 Å²	122.9	81%	0.807	68%	0.68	S	S	*	*				-163.2	157.1	113.2	-116.1	-33.6	0	0	0	111.1	I805	D803-I805 PolarHBondContact O-N 2.88Å
804	T	27.3	Very low	29	Very low	131 Å²	131	125.1 Å²	125.1	80%	0.804	69%	0.692	S	S	*	*			trans	-70.4	96.7	-176.7	52.7	0	0	0	0	112.1	N806	T804-N806 PolarHBondContact O-N 3.43Å
805	I	29.9	Very low	28.7	Very low	130 Å²	130	128.1 Å²	128.1	67%	0.667	70%	0.704	S	S	*	*			trans	-69.6	83.4	164.9	-57.7	-176.8	0	0	0	108.7	D803 V807 L810	D803-I805 PolarHBondContact O-N 2.88Å; I805-V807 PolarHBondContact O-N 3.05Å; I805-V807 VanDerWaalsContact O-N 3.08Å; I805-L810 HydrophobicContact CG2-CD1 4.32Å
806	N	30.3	Very low	28.6	Very low	90 Å²	90	127.3 Å²	127.3	48%	0.481	71%	0.71	S	S	.	*			trans	-65.9	104.8	176.9	-172.6	-9.9	0	0	0	109.1	T804 V808 S809	T804-N806 PolarHBondContact O-N 3.43Å; N806-V808 PolarHBondContact O-N 3.36Å; N806-V808 VanDerWaalsContact OD1-CB 3.31Å; N806-V808 WeakPolarHBondContact OD1-CB 3.22Å; N806-V808 WeakPolarHBondContact OD1-CG2 3.1Å; N806-V808 PolarHBondContact OD1-N 2.67Å; N806-S809 PolarHBondContact O-N 2.96Å; N806-S809 PolarHBondContact O-OG 3.26Å
807	V	28.7	Very low	28.5	Very low	118 Å²	118	127.9 Å²	127.9	72%	0.715	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-13.2	-176.7	-176.9	0	0	0	0	112.5	I805	I805-V807 PolarHBondContact O-N 3.05Å; I805-V807 VanDerWaalsContact O-N 3.08Å
808	V	31.1	Very low	28.6	Very low	86 Å²	86	129.5 Å²	129.5	52%	0.521	72%	0.721	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.7	-38.2	170.5	-173.3	0	0	0	0	112.4	N806 L810 L811 H812	N806-V808 PolarHBondContact O-N 3.36Å; N806-V808 VanDerWaalsContact OD1-CB 3.31Å; N806-V808 WeakPolarHBondContact OD1-CB 3.22Å; N806-V808 WeakPolarHBondContact OD1-CG2 3.1Å; N806-V808 PolarHBondContact OD1-N 2.67Å; V808-L810 VanDerWaalsContact C-N 3.34Å; V808-L810 PolarHBondContact O-N 2.95Å; V808-L811 PolarHBondContact O-N 2.93Å; V808-H812 PolarHBondContact O-CD2 2.75Å
809	S	30.6	Very low	28.6	Very low	63 Å²	63	125.5 Å²	125.5	44%	0.441	72%	0.72	S	S	.	*	G	3₁₀ helix	trans	-71	-27.1	-172.8	67.2	0	0	0	0	113.6	N806 L811 H812	N806-S809 PolarHBondContact O-N 2.96Å; N806-S809 PolarHBondContact O-OG 3.26Å; S809-L811 PolarHBondContact O-N 3.39Å; S809-L811 VanDerWaalsContact O-N 3.15Å; S809-H812 PolarHBondContact O-N 3.09Å; S809-H812 VanDerWaalsContact O-N 3.08Å
810	L	31.8	Very low	28.7	Very low	119 Å²	119	122.8 Å²	122.8	62%	0.623	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-69.7	-3.2	174.6	-78.9	163.9	0	0	0	114.2	I805 V808	I805-L810 HydrophobicContact CG2-CD1 4.32Å; V808-L810 VanDerWaalsContact C-N 3.34Å; V808-L810 PolarHBondContact O-N 2.95Å
811	L	29.7	Very low	29	Very low	99 Å²	99	121.7 Å²	121.7	52%	0.518	71%	0.714	S	S	.	*	G	3₁₀ helix	trans	-95.2	-4.4	170.1	-69.8	170.5	0	0	0	113.7	V808 S809	V808-L811 PolarHBondContact O-N 2.93Å; S809-L811 PolarHBondContact O-N 3.39Å; S809-L811 VanDerWaalsContact O-N 3.15Å
812	H	30.9	Very low	29.6	Very low	146 Å²	146	118.5 Å²	118.5	68%	0.676	70%	0.696	S	S	*	*	S	Bend	trans	-96.8	-10.2	-175.7	-78.1	-86.9	0	0	0	115.1	V808 S809	V808-H812 PolarHBondContact O-CD2 2.75Å; S809-H812 PolarHBondContact O-N 3.09Å; S809-H812 VanDerWaalsContact O-N 3.08Å
813	N	27.1	Very low	29.9	Very low	147 Å²	147	113.6 Å²	113.6	79%	0.786	67%	0.674	S	S	*	*	S	Bend	trans	-121.7	51.6	-174	-74.2	-25.3	0	0	0	113.1
814	T	28.9	Very low	30.3	Very low	118 Å²	118	109.9 Å²	109.9	72%	0.724	66%	0.66	S	S	*	*	S	Bend	trans	-138.2	114.5	163.2	56.6	0	0	0	0	109.8
815	D	26.7	Very low	30.9	Very low	151 Å²	151	109.8 Å²	109.8	81%	0.807	65%	0.649	S	S	*	*			trans	-66.7	146.9	-166.3	-63.4	-78.9	0	0	0	115.8	S817	D815-S817 PolarHBondContact O-N 3.45Å
816	S	26.1	Very low	31.5	Very low	115 Å²	115	105.6 Å²	105.6	80%	0.804	63%	0.629	S	S	*	*	S	Bend	trans	36.6	80.6	151.3	63.9	0	0	0	0	117.9
817	S	29	Very low	32.2	Very low	106 Å²	106	103 Å²	103	74%	0.741	62%	0.621	S	S	*	*			trans	179.7	-4.7	146.3	42.8	0	0	0	0	117.5	D815	D815-S817 PolarHBondContact O-N 3.45Å
818	F	29.3	Very low	33.2	Very low	211 Å²	211	102.2 Å²	102.2	93%	0.925	61%	0.612	S	S	*	*			trans	-117.8	105.9	-174.9	-94.1	-91.8	0	0	0	115.2
819	S	25.2	Very low	34.1	Very low	126 Å²	126	99.3 Å²	99.3	88%	0.881	59%	0.592	S	S	*	*			trans	-94.4	107.2	171.8	45.7	0	0	0	0	112.3
820	G	29.2	Very low	35.3	Very low	66 Å²	66	98.1 Å²	98.1	68%	0.68	58%	0.58	S	S	*	*	S	Bend	trans	109.8	108.3	157.8	0	0	0	0	0	118.2	D822	G820-D822 VanDerWaalsContact C-N 3.33Å; G820-D822 PolarHBondContact O-N 3.41Å
821	G	33.8	Very low	36.3	Very low	67 Å²	67	96.2 Å²	96.2	69%	0.691	57%	0.57	S	S	*	*	S	Bend	trans	65.4	-6.3	134.2	0	0	0	0	0	122.3
822	D	39.3	Very low	37.4	Very low	90 Å²	90	96.8 Å²	96.8	48%	0.481	57%	0.571	S	S	.	*			trans	-106.7	-2.4	-170.6	-94.7	9.9	0	0	0	116.2	G820 S824 K825 T826	G820-D822 VanDerWaalsContact C-N 3.33Å; G820-D822 PolarHBondContact O-N 3.41Å; D822-S824 PolarHBondContact O-N 2.85Å; D822-K825 PolarHBondContact O-N 2.78Å; D822-K825 WeakPolarHBondContact OD1-CD 3.38Å; D822-K825 WeakPolarHBondContact OD1-CE 3.44Å; D822-K825 IonicContact OD1-NZ 3.48Å; D822-K825 PolarHBondContact OD1-NZ 3.08Å; D822-T826 PolarHBondContact O-N 3.21Å; D822-T826 VanDerWaalsContact O-N 3.1Å; D822-T826 PolarHBondContact O-OG1 2.92Å
823	S	33.9	Very low	38.5	Very low	55 Å²	55	90.7 Å²	90.7	39%	0.385	54%	0.543	S	S	.	.	H	α-helix	trans	-60	-47.9	178.8	56.9	0	0	0	0	112.7	K825 T826 A827	S823-K825 VanDerWaalsContact C-N 3.3Å; S823-K825 PolarHBondContact O-N 3.05Å; S823-T826 WeakPolarHBondContact O-CB 3.33Å; S823-T826 PolarHBondContact O-N 2.97Å; S823-T826 VanDerWaalsContact O-N 3.13Å; S823-A827 PolarHBondContact O-N 3.2Å
824	S	36.6	Very low	39.7	Very low	73 Å²	73	86.8 Å²	86.8	51%	0.51	52%	0.52	S	S	.	.	H	α-helix	trans	-61.4	-36.9	-179.5	-36.9	0	0	0	0	112.7	D822 L828	D822-S824 PolarHBondContact O-N 2.85Å; S824-L828 WeakPolarHBondContact O-CB 3.22Å; S824-L828 WeakPolarHBondContact O-CG 3.49Å; S824-L828 PolarHBondContact O-N 3.45Å
825	K	40.3	Very low	40.8	Very low	130 Å²	130	88.7 Å²	88.7	57%	0.565	52%	0.518	S	S	*	.	H	α-helix	trans	-70.8	-35.9	177.9	-57.7	175	-158.4	153.1	0	111.2	D822 S823 F829	D822-K825 PolarHBondContact O-N 2.78Å; D822-K825 WeakPolarHBondContact OD1-CD 3.38Å; D822-K825 WeakPolarHBondContact OD1-CE 3.44Å; D822-K825 IonicContact OD1-NZ 3.48Å; D822-K825 PolarHBondContact OD1-NZ 3.08Å; S823-K825 VanDerWaalsContact C-N 3.3Å; S823-K825 PolarHBondContact O-N 3.05Å; K825-F829 WeakPolarHBondContact O-CB 3.05Å; K825-F829 PolarHBondContact O-N 3.45Å
826	T	43.7	Very low	41.7	Very low	41 Å²	41	83.4 Å²	83.4	25%	0.252	49%	0.493	S	S	.	.	H	α-helix	trans	-67.6	-45.9	176.8	-58	0	0	0	0	111.3	F763 D822 S823 F829 L830	F763-T826 HydrophobicContact CE1-CG2 4.05Å; F763-T826 HydrophobicContact CZ-CG2 4.03Å; D822-T826 PolarHBondContact O-N 3.21Å; D822-T826 VanDerWaalsContact O-N 3.1Å; D822-T826 PolarHBondContact O-OG1 2.92Å; S823-T826 WeakPolarHBondContact O-CB 3.33Å; S823-T826 PolarHBondContact O-N 2.97Å; S823-T826 VanDerWaalsContact O-N 3.13Å; T826-F829 PolarHBondContact O-N 2.92Å; T826-L830 HydrophobicContact CG2-CD1 4.47Å; T826-L830 WeakPolarHBondContact O-CG 3.31Å; T826-L830 PolarHBondContact O-N 3.31Å; T826-L830 VanDerWaalsContact O-N 3.07Å
827	A	45.4	Very low	42.9	Very low	37 Å²	37	80 Å²	80	31%	0.306	47%	0.465	S	S	.	.	H	α-helix	trans	-61.4	-46.5	174.7	0	0	0	0	0	112.1	S823 F829 L830 L831	S823-A827 PolarHBondContact O-N 3.2Å; A827-F829 VanDerWaalsContact C-N 3.32Å; A827-F829 PolarHBondContact O-N 3.25Å; A827-L830 PolarHBondContact O-N 3.26Å; A827-L831 WeakPolarHBondContact O-CB 3.44Å; A827-L831 WeakPolarHBondContact O-CG 3.15Å; A827-L831 PolarHBondContact O-N 3.47Å
828	L	48	Very low	44	Very low	101 Å²	101	81 Å²	81	53%	0.529	46%	0.461	S	S	.	.	H	α-helix	trans	-57.6	-42.6	174	-84.5	165.7	0	0	0	112.2	S824 Q832	S824-L828 WeakPolarHBondContact O-CB 3.22Å; S824-L828 WeakPolarHBondContact O-CG 3.49Å; S824-L828 PolarHBondContact O-N 3.45Å; L828-Q832 WeakPolarHBondContact O-CB 3.47Å; L828-Q832 PolarHBondContact O-N 3.11Å
829	F	50.5	Low	44.7	Very low	24 Å²	24	74.6 Å²	74.6	11%	0.105	44%	0.443	C	S	.	.	H	α-helix	trans	-61.7	-48.1	177.4	172.9	-101.9	0	0	0	112.6	F750 P762 F763 K825 T826 A827 Q832 L833	F750-F829 HydrophobicContact CE1-CD2 4.35Å; F750-F829 HydrophobicContact CE1-CE2 4.02Å; F750-F829 HydrophobicContact CE2-CD2 4.07Å; F750-F829 HydrophobicContact CE2-CE2 4.35Å; F750-F829 AromaticContact CZ-CD2 3.57Å; F750-F829 HydrophobicContact CZ-CD2 3.57Å; F750-F829 AromaticContact CZ-CE2 3.69Å; F750-F829 HydrophobicContact CZ-CE2 3.69Å; P762-F829 VanDerWaalsContact CD-CZ 3.44Å; P762-F829 HydrophobicContact CG-CD1 3.85Å; P762-F829 HydrophobicContact CG-CD2 4.2Å; P762-F829 HydrophobicContact CG-CE1 3.47Å; P762-F829 VanDerWaalsContact CG-CE1 3.47Å; P762-F829 HydrophobicContact CG-CE2 3.84Å; P762-F829 HydrophobicContact CG-CG 4.2Å; P762-F829 HydrophobicContact CG-CZ 3.46Å; P762-F829 VanDerWaalsContact CG-CZ 3.46Å; F763-F829 HydrophobicContact CE2-CD1 4.11Å; F763-F829 AromaticContact CE2-CE1 3.93Å; F763-F829 HydrophobicContact CE2-CE1 3.93Å; F763-F829 AromaticContact CZ-CD1 3.92Å; F763-F829 HydrophobicContact CZ-CD1 3.92Å; F763-F829 HydrophobicContact CZ-CE1 4.22Å; K825-F829 WeakPolarHBondContact O-CB 3.05Å; K825-F829 PolarHBondContact O-N 3.45Å; T826-F829 PolarHBondContact O-N 2.92Å; A827-F829 VanDerWaalsContact C-N 3.32Å; A827-F829 PolarHBondContact O-N 3.25Å; F829-Q832 WeakPolarHBondContact O-CB 3.12Å; F829-Q832 PolarHBondContact O-N 2.91Å; F829-L833 HydrophobicContact CE1-CD1 3.75Å; F829-L833 HydrophobicContact CE2-CD1 4.04Å; F829-L833 HydrophobicContact CZ-CD1 3.31Å; F829-L833 WeakPolarHBondContact O-CB 3.37Å; F829-L833 PolarHBondContact O-N 2.84Å
830	L	56	Low	45.7	Very low	38 Å²	38	74.8 Å²	74.8	20%	0.199	43%	0.429	C	S	.	.	H	α-helix	trans	-64.8	-42.6	-178.6	-67.7	173.7	0	0	0	111.6	M786 T826 A827 Q832 L833 E834	M786-L830 HydrophobicContact SD-CD2 4.34Å; T826-L830 HydrophobicContact CG2-CD1 4.47Å; T826-L830 WeakPolarHBondContact O-CG 3.31Å; T826-L830 PolarHBondContact O-N 3.31Å; T826-L830 VanDerWaalsContact O-N 3.07Å; A827-L830 PolarHBondContact O-N 3.26Å; L830-Q832 PolarHBondContact O-N 2.83Å; L830-L833 PolarHBondContact O-N 3.16Å; L830-L833 VanDerWaalsContact O-N 3.16Å; L830-E834 PolarHBondContact O-N 2.94Å
831	L	53.1	Low	46.2	Very low	79 Å²	79	74.1 Å²	74.1	41%	0.414	42%	0.422	S	S	.	.	H	α-helix	trans	-60.6	-42.1	173.1	-74.5	167.5	0	0	0	112.3	F791 A827 L833 K835	F791-L831 HydrophobicContact CE1-CD2 4.12Å; A827-L831 WeakPolarHBondContact O-CB 3.44Å; A827-L831 WeakPolarHBondContact O-CG 3.15Å; A827-L831 PolarHBondContact O-N 3.47Å; L831-L833 VanDerWaalsContact C-N 3.28Å; L831-L833 PolarHBondContact O-N 3.28Å; L831-K835 VanDerWaalsContact O-CB 3.23Å; L831-K835 WeakPolarHBondContact O-CB 3.43Å; L831-K835 PolarHBondContact O-N 2.75Å
832	Q	51.8	Low	46.1	Very low	111 Å²	111	77.6 Å²	77.6	52%	0.519	43%	0.425	S	S	.	.	H	α-helix	trans	-63.3	-36.5	175.8	-145	80.3	-11.7	0	0	111.6	L828 F829 L830 C836	L828-Q832 WeakPolarHBondContact O-CB 3.47Å; L828-Q832 PolarHBondContact O-N 3.11Å; F829-Q832 WeakPolarHBondContact O-CB 3.12Å; F829-Q832 PolarHBondContact O-N 2.91Å; L830-Q832 PolarHBondContact O-N 2.83Å; Q832-C836 VanDerWaalsContact O-CB 3.22Å; Q832-C836 WeakPolarHBondContact O-CB 3.42Å; Q832-C836 PolarHBondContact O-N 3.01Å
833	L	55.5	Low	45.8	Very low	18 Å²	18	82.2 Å²	82.2	9%	0.094	44%	0.443	C	S	.	.	H	α-helix	trans	-77.7	-39.9	-176.8	-162.9	146.5	0	0	0	112.2	I774 L778 F829 L830 L831 C836 M837	I774-L833 HydrophobicContact CG2-CD1 4.01Å; L778-L833 HydrophobicContact CD1-CD1 3.85Å; L778-L833 HydrophobicContact CD1-CD2 4.36Å; F829-L833 HydrophobicContact CE1-CD1 3.75Å; F829-L833 HydrophobicContact CE2-CD1 4.04Å; F829-L833 HydrophobicContact CZ-CD1 3.31Å; F829-L833 WeakPolarHBondContact O-CB 3.37Å; F829-L833 PolarHBondContact O-N 2.84Å; L830-L833 PolarHBondContact O-N 3.16Å; L830-L833 VanDerWaalsContact O-N 3.16Å; L831-L833 VanDerWaalsContact C-N 3.28Å; L831-L833 PolarHBondContact O-N 3.28Å; L833-C836 PolarHBondContact O-N 3.01Å; L833-M837 HydrophobicContact CD2-CG 4.01Å; L833-M837 WeakPolarHBondContact O-CB 3.21Å; L833-M837 VanDerWaalsContact O-CG 3.25Å; L833-M837 WeakPolarHBondContact O-CG 3.25Å; L833-M837 PolarHBondContact O-N 3.39Å
834	E	52.7	Low	45.4	Very low	66 Å²	66	86.7 Å²	86.7	31%	0.308	46%	0.461	S	S	.	.	H	α-helix	trans	-63.1	-45.3	170.5	-173	165.2	-133.1	0	0	110.5	K792 L830 C836 M837 L838	K792-E834 WeakPolarHBondContact CE-OE1 3.5Å; K792-E834 IonicContact NZ-OE1 2.69Å; K792-E834 PolarHBondContact NZ-OE1 2.88Å; L830-E834 PolarHBondContact O-N 2.94Å; E834-C836 VanDerWaalsContact C-N 3.27Å; E834-C836 PolarHBondContact O-N 3.25Å; E834-M837 PolarHBondContact O-N 3.49Å; E834-M837 VanDerWaalsContact O-N 3.17Å; E834-L838 HydrophobicContact CG-CD1 4.09Å; E834-L838 HydrophobicContact CG-CG 4.47Å; E834-L838 WeakPolarHBondContact O-CB 3.37Å; E834-L838 VanDerWaalsContact O-CG 3.3Å; E834-L838 WeakPolarHBondContact O-CG 3.34Å; E834-L838 PolarHBondContact O-N 3.24Å
835	K	52.1	Low	45	Very low	158 Å²	158	91.4 Å²	91.4	69%	0.687	48%	0.475	S	S	*	.	H	α-helix	trans	-60.1	-35.4	175.4	-165.1	167.4	-171.2	167.3	0	112.8	L831 S839	L831-K835 VanDerWaalsContact O-CB 3.23Å; L831-K835 WeakPolarHBondContact O-CB 3.43Å; L831-K835 PolarHBondContact O-N 2.75Å; K835-S839 PolarHBondContact O-N 2.67Å; K835-S839 VanDerWaalsContact O-N 3.15Å; K835-S839 PolarHBondContact O-OG 3.35Å
836	C	44.7	Very low	44.4	Very low	40 Å²	40	90.3 Å²	90.3	27%	0.27	48%	0.484	S	S	.	.	H	α-helix	trans	-76.9	-34.5	176.1	-168	0	0	0	0	112.9	Q832 L833 E834 S839 H840	Q832-C836 VanDerWaalsContact O-CB 3.22Å; Q832-C836 WeakPolarHBondContact O-CB 3.42Å; Q832-C836 PolarHBondContact O-N 3.01Å; L833-C836 PolarHBondContact O-N 3.01Å; E834-C836 VanDerWaalsContact C-N 3.27Å; E834-C836 PolarHBondContact O-N 3.25Å; C836-S839 WeakPolarHBondContact CA-OG 3.42Å; C836-S839 PolarHBondContact O-N 2.65Å; C836-S839 PolarHBondContact O-OG 2.77Å; C836-H840 PolarHBondContact O-CD2 3.17Å; C836-H840 PolarHBondContact O-N 3.2Å
837	M	50.6	Low	43.7	Very low	43 Å²	43	96 Å²	96	21%	0.212	51%	0.513	C	S	.	.	H	α-helix	trans	-68.5	-40.6	172.8	-73.1	-95.8	48.6	0	0	111.3	L771 H775 L833 E834 S839 H840 G841	L771-M837 HydrophobicContact CB-CE 3.68Å; L771-M837 HydrophobicContact CB-SD 4.02Å; H775-M837 HydrophobicContact CB-SD 4.09Å; L833-M837 HydrophobicContact CD2-CG 4.01Å; L833-M837 WeakPolarHBondContact O-CB 3.21Å; L833-M837 VanDerWaalsContact O-CG 3.25Å; L833-M837 WeakPolarHBondContact O-CG 3.25Å; L833-M837 PolarHBondContact O-N 3.39Å; E834-M837 PolarHBondContact O-N 3.49Å; E834-M837 VanDerWaalsContact O-N 3.17Å; M837-S839 PolarHBondContact O-N 2.84Å; M837-H840 CarbonylContact O-C 3.31Å; M837-H840 PolarHBondContact O-N 3.48Å; M837-G841 WeakPolarHBondContact O-CA 3.24Å; M837-G841 PolarHBondContact O-N 3.34Å
838	L	52	Low	42.9	Very low	126 Å²	126	103.1 Å²	103.1	66%	0.66	54%	0.537	S	S	*	.	H	α-helix	trans	-63	-38.4	173.5	-70.6	167.9	0	0	0	112.1	E834 H840	E834-L838 HydrophobicContact CG-CD1 4.09Å; E834-L838 HydrophobicContact CG-CG 4.47Å; E834-L838 WeakPolarHBondContact O-CB 3.37Å; E834-L838 VanDerWaalsContact O-CG 3.3Å; E834-L838 WeakPolarHBondContact O-CG 3.34Å; E834-L838 PolarHBondContact O-N 3.24Å; L838-H840 PolarHBondContact O-N 3.48Å
839	S	45.6	Very low	42	Very low	78 Å²	78	106.3 Å²	106.3	55%	0.545	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.3	-8.6	175.9	63.4	0	0	0	0	115.1	K835 C836 M837	K835-S839 PolarHBondContact O-N 2.67Å; K835-S839 VanDerWaalsContact O-N 3.15Å; K835-S839 PolarHBondContact O-OG 3.35Å; C836-S839 WeakPolarHBondContact CA-OG 3.42Å; C836-S839 PolarHBondContact O-N 2.65Å; C836-S839 PolarHBondContact O-OG 2.77Å; M837-S839 PolarHBondContact O-N 2.84Å
840	H	45.5	Very low	41.1	Very low	130 Å²	130	109.9 Å²	109.9	60%	0.602	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.5	5.6	-178.8	-66.1	-52.2	0	0	0	113.9	L771 C836 M837 L838	L771-H840 HydrophobicContact CD1-CB 4.32Å; L771-H840 VanDerWaalsContact CD1-CD2 3.47Å; L771-H840 WeakPolarHBondContact CD1-CD2 3.17Å; C836-H840 PolarHBondContact O-CD2 3.17Å; C836-H840 PolarHBondContact O-N 3.2Å; M837-H840 CarbonylContact O-C 3.31Å; M837-H840 PolarHBondContact O-N 3.48Å; L838-H840 PolarHBondContact O-N 3.48Å
841	G	38.5	Very low	39.9	Very low	52 Å²	52	113.2 Å²	113.2	54%	0.536	62%	0.615	S	S	.	*	S	Bend	trans	-91.1	-19.9	-171.8	0	0	0	0	0	115.4	M837	M837-G841 WeakPolarHBondContact O-CA 3.24Å; M837-G841 PolarHBondContact O-N 3.34Å
842	N	32.2	Very low	39.3	Very low	140 Å²	140	114.5 Å²	114.5	75%	0.749	63%	0.628	S	S	*	*			trans	-110.6	142.2	-175.6	-67.5	-16.9	0	0	0	111.4
843	H	33.1	Very low	39	Very low	186 Å²	186	117.1 Å²	117.1	86%	0.861	64%	0.637	S	S	*	*			trans	100.2	58.7	-174.4	-58.8	-59.8	0	0	0	116.8
844	I	26.4	Very low	39.6	Very low	149 Å²	149	121 Å²	121	76%	0.764	66%	0.657	S	S	*	*			trans	-103.8	134.3	140.4	-65.7	174.4	0	0	0	105.7
845	E	27.5	Very low	40.5	Very low	173 Å²	173	120.4 Å²	120.4	81%	0.808	65%	0.654	S	S	*	*			trans	63.1	148.3	-178.5	-71.3	150.5	-130.1	0	0	114.9
846	S	28.2	Very low	41.3	Very low	106 Å²	106	117 Å²	117	74%	0.741	65%	0.646	S	S	*	*			cis	-150.8	-171.9	-11.4	60.3	0	0	0	0	110.4
847	N	29.2	Very low	42.8	Very low	161 Å²	161	115.1 Å²	115.1	86%	0.861	63%	0.633	S	S	*	*			trans	65.3	118.9	175.1	-93	-19.8	0	0	0	119.8
848	K	28.1	Very low	43.4	Very low	186 Å²	186	119.4 Å²	119.4	81%	0.809	65%	0.651	S	S	*	*			trans	-90.5	175.9	164	-61.5	167.6	-177.6	172.4	0	108.6
849	N	28.3	Very low	43.6	Very low	169 Å²	169	115.5 Å²	115.5	90%	0.904	63%	0.629	S	S	*	*			trans	76.7	51.1	171.3	-50.7	-4.8	0	0	0	116.7
850	A	31.3	Very low	44.2	Very low	98 Å²	98	114.8 Å²	114.8	81%	0.81	62%	0.623	S	S	*	*			trans	-127.8	135.8	158.1	0	0	0	0	0	110.2
851	S	31.5	Very low	44.8	Very low	109 Å²	109	111 Å²	111	76%	0.762	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-70.5	147.1	172.7	46.2	0	0	0	0	110.7	K853	S851-K853 PolarHBondContact O-N 2.86Å; S851-K853 VanDerWaalsContact O-N 3.17Å
852	P	40.2	Very low	45.9	Very low	105 Å²	105	113.9 Å²	113.9	68%	0.682	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-67.7	117.3	-176.9	26.7	-33.7	0	0	0	110.4	I854	P852-I854 PolarHBondContact O-N 2.84Å; P852-I854 VanDerWaalsContact O-N 3.14Å
853	K	45.7	Very low	47.3	Very low	166 Å²	166	111.1 Å²	111.1	72%	0.722	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-59.9	117.9	170.6	-83.1	-169.9	171.7	-177.2	0	109.5	S851 F855	S851-K853 PolarHBondContact O-N 2.86Å; S851-K853 VanDerWaalsContact O-N 3.17Å; K853-F855 HydrophobicContact CB-CE1 4.21Å; K853-F855 HydrophobicContact CB-CE2 3.87Å; K853-F855 HydrophobicContact CB-CZ 3.64Å; K853-F855 HydrophobicContact CD-CE1 4.31Å; K853-F855 HydrophobicContact CD-CZ 4.17Å; K853-F855 WeakPolarHBondContact O-CD2 3.47Å; K853-F855 WeakPolarHBondContact O-CE2 3.47Å
854	I	67.3	Low	49.6	Very low	100 Å²	100	104.1 Å²	104.1	51%	0.513	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-91.1	122	170.7	-58.2	177.8	0	0	0	107.2	P852 V856	P852-I854 PolarHBondContact O-N 2.84Å; P852-I854 VanDerWaalsContact O-N 3.14Å; I854-V856 HydrophobicContact CG2-CG2 4.03Å
855	F	73.1	Confident	51.8	Low	53 Å²	53	104.9 Å²	104.9	23%	0.232	58%	0.576	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.2	109.5	177.8	-55.7	-84	0	0	0	108.2	K853 F864 Q867 F870	K853-F855 HydrophobicContact CB-CE1 4.21Å; K853-F855 HydrophobicContact CB-CE2 3.87Å; K853-F855 HydrophobicContact CB-CZ 3.64Å; K853-F855 HydrophobicContact CD-CE1 4.31Å; K853-F855 HydrophobicContact CD-CZ 4.17Å; K853-F855 WeakPolarHBondContact O-CD2 3.47Å; K853-F855 WeakPolarHBondContact O-CE2 3.47Å; F855-F864 PolarHBondContact N-O 2.85Å; F855-F864 PolarHBondContact O-N 2.78Å; F855-Q867 HydrophobicContact CE1-CB 4.49Å; F855-Q867 HydrophobicContact CE2-CB 4.16Å; F855-Q867 HydrophobicContact CZ-CB 4.12Å; F855-F870 HydrophobicContact CB-CB 3.62Å; F855-F870 HydrophobicContact CB-CD1 4.25Å; F855-F870 HydrophobicContact CB-CD2 3.49Å; F855-F870 VanDerWaalsContact CB-CD2 3.49Å; F855-F870 HydrophobicContact CB-CE2 4.18Å; F855-F870 HydrophobicContact CB-CG 3.52Å; F855-F870 HydrophobicContact CG-CB 4.38Å; F855-F870 HydrophobicContact CG-CG 4.4Å
856	V	68.9	Low	54.1	Low	86 Å²	86	103.2 Å²	103.2	52%	0.521	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.2	120.4	-177.1	-176.5	0	0	0	0	109	I854 K858 F870	I854-V856 HydrophobicContact CG2-CG2 4.03Å; V856-K858 PolarHBondContact O-N 3.36Å; V856-F870 WeakPolarHBondContact O-CE2 3.46Å
857	C	75.3	Confident	56.4	Low	1 Å²	1	102.2 Å²	102.2	1%	0.007	55%	0.55	C	S	.	.			trans	-71.6	114.8	-177.9	-166.5	0	0	0	0	111	F859 C860 G861 K862 F864 F870 H873	C857-F859 PolarHBondContact O-N 3.36Å; C857-F859 VanDerWaalsContact SG-CA 3.58Å; C857-F859 PolarHBondContact SG-N 3.33Å; C857-F859 VanDerWaalsContact SG-N 3.45Å; C857-C860 PolarHBondContact O-N 3Å; C857-G861 WeakPolarHBondContact O-CA 3.42Å; C857-G861 PolarHBondContact O-N 2.85Å; C857-K862 PolarHBondContact N-O 3.1Å; C857-F864 HydrophobicContact CB-CE2 4.2Å; C857-F870 HydrophobicContact CB-CD2 4.43Å; C857-F870 HydrophobicContact CB-CE2 4.39Å; C857-H873 PolarHBondContact SG-CD2 3Å
858	K	62.7	Low	58.5	Low	134 Å²	134	101.4 Å²	101.4	58%	0.583	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-19.8	169.8	69.7	-177.1	-167.5	-93.9	0	113.3	V856 E874 R882	V856-K858 PolarHBondContact O-N 3.36Å; K858-E874 IonicContact NZ-OE1 2.77Å; K858-E874 PolarHBondContact NZ-OE1 2.78Å; K858-R882 PolarHBondContact O-NH2 2.83Å
859	F	57.8	Low	60.7	Low	43 Å²	43	98.1 Å²	98.1	19%	0.189	52%	0.524	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.4	-95	160.4	24.2	-143.5	0	0	0	113.3	C857 E874 C877 Q878 R882	C857-F859 PolarHBondContact O-N 3.36Å; C857-F859 VanDerWaalsContact SG-CA 3.58Å; C857-F859 PolarHBondContact SG-N 3.33Å; C857-F859 VanDerWaalsContact SG-N 3.45Å; F859-E874 HydrophobicContact CD2-CG 3.9Å; F859-E874 HydrophobicContact CE2-CG 3.73Å; F859-C877 HydrophobicContact CB-CB 4.11Å; F859-Q878 HydrophobicContact CD2-CG 4.03Å; F859-Q878 HydrophobicContact CE1-CG 4.03Å; F859-Q878 HydrophobicContact CE2-CG 3.33Å; F859-Q878 HydrophobicContact CZ-CG 3.35Å; F859-R882 PolarHBondContact O-NH1 3.4Å; F859-R882 PolarHBondContact O-NH2 3.03Å
860	C	58.2	Low	63.4	Low	64 Å²	64	91.3 Å²	91.3	43%	0.432	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	16.7	-173.4	69.4	0	0	0	0	114.8	C857 K862 H873	C857-C860 PolarHBondContact O-N 3Å; C860-K862 PolarHBondContact O-N 2.78Å; C860-K862 VanDerWaalsContact O-N 3.15Å; C860-K862 VanDerWaalsContact SG-CD 3.52Å; C860-K862 VanDerWaalsContact SG-CG 3.5Å; C860-H873 PolarHBondContact SG-CE1 2.89Å; C860-H873 PolarHBondContact SG-NE2 3.04Å
861	G	56.8	Low	65.5	Low	49 Å²	49	88.9 Å²	88.9	51%	0.505	46%	0.464	S	S	.	.			trans	73.8	-4	-179.1	0	0	0	0	0	115.3	C857 S863	C857-G861 WeakPolarHBondContact O-CA 3.42Å; C857-G861 PolarHBondContact O-N 2.85Å; G861-S863 PolarHBondContact O-N 3.48Å
862	K	62.9	Low	67.4	Low	113 Å²	113	87.2 Å²	87.2	49%	0.491	45%	0.446	S	S	.	.			trans	-59.9	133.6	175.6	-75.1	177.5	-172	173.5	0	110.9	C857 C860 F864	C857-K862 PolarHBondContact N-O 3.1Å; C860-K862 PolarHBondContact O-N 2.78Å; C860-K862 VanDerWaalsContact O-N 3.15Å; C860-K862 VanDerWaalsContact SG-CD 3.52Å; C860-K862 VanDerWaalsContact SG-CG 3.5Å; K862-F864 HydrophobicContact CB-CE2 3.61Å; K862-F864 HydrophobicContact CB-CZ 3.81Å; K862-F864 WeakPolarHBondContact O-CD2 3.45Å; K862-F864 VanDerWaalsContact O-CE2 3.27Å; K862-F864 WeakPolarHBondContact O-CE2 3.39Å
863	S	61.6	Low	69.1	Low	82 Å²	82	83.9 Å²	83.9	57%	0.573	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.2	-178.4	55.8	0	0	0	0	111.5	G861	G861-S863 PolarHBondContact O-N 3.48Å
864	F	81.6	Confident	70.5	Confident	39 Å²	39	77.2 Å²	77.2	17%	0.171	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.2	-174.2	-59.8	-92.9	0	0	0	110.6	F855 C857 K862 K866 F869 F870 H873	F855-F864 PolarHBondContact N-O 2.85Å; F855-F864 PolarHBondContact O-N 2.78Å; C857-F864 HydrophobicContact CB-CE2 4.2Å; K862-F864 HydrophobicContact CB-CE2 3.61Å; K862-F864 HydrophobicContact CB-CZ 3.81Å; K862-F864 WeakPolarHBondContact O-CD2 3.45Å; K862-F864 VanDerWaalsContact O-CE2 3.27Å; K862-F864 WeakPolarHBondContact O-CE2 3.39Å; F864-K866 VanDerWaalsContact C-N 3.3Å; F864-F869 HydrophobicContact CD1-CB 3.72Å; F864-F869 HydrophobicContact CE1-CB 4.38Å; F864-F869 HydrophobicContact CG-CB 4.49Å; F864-F870 HydrophobicContact CB-CB 3.95Å; F864-F870 HydrophobicContact CD2-CB 4.15Å; F864-F870 HydrophobicContact CD2-CD2 4.41Å; F864-F870 HydrophobicContact CG-CB 4.17Å; F864-H873 HydrophobicContact CE1-CB 4.1Å; F864-H873 HydrophobicContact CE2-CB 4.14Å; F864-H873 AromaticContact CE2-CD2 3.31Å; F864-H873 WeakPolarHBondContact CE2-CD2 3.22Å; F864-H873 AromaticContact CE2-CG 3.88Å; F864-H873 HydrophobicContact CZ-CB 3.6Å; F864-H873 AromaticContact CZ-CD2 3.33Å; F864-H873 WeakPolarHBondContact CZ-CD2 3.25Å; F864-H873 AromaticContact CZ-CG 3.43Å; F864-H873 VanDerWaalsContact CZ-CG 3.43Å
865	Q	71	Confident	70.6	Confident	166 Å²	166	76.9 Å²	76.9	78%	0.776	39%	0.392	S	S	*	.	S	Bend	trans	-86.2	1.5	178.3	-64.3	177.7	-12.3	0	0	113.4
866	K	76.4	Confident	70.1	Confident	137 Å²	137	80.2 Å²	80.2	60%	0.596	41%	0.409	S	S	*	.	S	Bend	trans	-141.2	128.2	-179.6	-62.4	-171.3	-179.6	-175.5	0	110.1	F864 K868 F869 F870	F864-K866 VanDerWaalsContact C-N 3.3Å; K866-K868 PolarHBondContact O-N 3.17Å; K866-K868 VanDerWaalsContact O-N 3.16Å; K866-F869 HydrophobicContact CB-CD2 4.05Å; K866-F869 HydrophobicContact CD-CD2 4.3Å; K866-F869 HydrophobicContact CD-CE2 4.05Å; K866-F869 HydrophobicContact CG-CD2 4.5Å; K866-F869 PolarHBondContact O-N 2.78Å; K866-F869 VanDerWaalsContact O-N 3.15Å; K866-F870 PolarHBondContact O-N 2.88Å
867	Q	76.3	Confident	69.6	Low	86 Å²	86	76.8 Å²	76.8	40%	0.402	39%	0.389	S	S	.	.	H	α-helix	trans	-51.4	-39.2	179.5	178.7	61.5	26.2	0	0	112.5	F855 F870 S871	F855-Q867 HydrophobicContact CE1-CB 4.49Å; F855-Q867 HydrophobicContact CE2-CB 4.16Å; F855-Q867 HydrophobicContact CZ-CB 4.12Å; Q867-F870 WeakPolarHBondContact O-CB 3.34Å; Q867-F870 PolarHBondContact O-N 3.28Å; Q867-S871 PolarHBondContact NE2-OG 3.1Å; Q867-S871 WeakPolarHBondContact O-CB 3.14Å; Q867-S871 PolarHBondContact O-N 2.95Å; Q867-S871 PolarHBondContact O-OG 3.17Å
868	K	74.5	Confident	69	Low	143 Å²	143	81.2 Å²	81.2	62%	0.622	41%	0.41	S	S	*	.	H	α-helix	trans	-59.2	-52.7	178.6	176.4	165	-179.1	170.9	0	112.4	K866 F870 S871 D872	K866-K868 PolarHBondContact O-N 3.17Å; K866-K868 VanDerWaalsContact O-N 3.16Å; K868-F870 VanDerWaalsContact C-N 3.25Å; K868-F870 PolarHBondContact O-N 2.9Å; K868-S871 PolarHBondContact O-N 3.32Å; K868-D872 WeakPolarHBondContact CE-OD1 3.45Å; K868-D872 WeakPolarHBondContact CE-OD2 3.45Å; K868-D872 VanDerWaalsContact CG-OD2 3.28Å; K868-D872 WeakPolarHBondContact CG-OD2 3.44Å; K868-D872 WeakPolarHBondContact O-CB 3.29Å; K868-D872 PolarHBondContact O-N 2.92Å
869	F	73.4	Confident	68.5	Low	118 Å²	118	81.5 Å²	81.5	52%	0.518	41%	0.413	S	S	.	.	H	α-helix	trans	-65.9	-31.3	-179.4	-62.2	-43.3	0	0	0	112.4	F864 K866 H873	F864-F869 HydrophobicContact CD1-CB 3.72Å; F864-F869 HydrophobicContact CE1-CB 4.38Å; F864-F869 HydrophobicContact CG-CB 4.49Å; K866-F869 HydrophobicContact CB-CD2 4.05Å; K866-F869 HydrophobicContact CD-CD2 4.3Å; K866-F869 HydrophobicContact CD-CE2 4.05Å; K866-F869 HydrophobicContact CG-CD2 4.5Å; K866-F869 PolarHBondContact O-N 2.78Å; K866-F869 VanDerWaalsContact O-N 3.15Å; F869-H873 WeakPolarHBondContact O-CB 3.33Å; F869-H873 PolarHBondContact O-N 3.41Å; F869-H873 VanDerWaalsContact O-N 3.11Å
870	F	84.2	Confident	67.5	Low	26 Å²	26	85.2 Å²	85.2	11%	0.114	43%	0.433	C	S	.	.	H	α-helix	trans	-61.7	-48.2	168.4	164.7	-91.1	0	0	0	111.6	F855 V856 C857 F864 K866 Q867 K868 H873 E874	F855-F870 HydrophobicContact CB-CB 3.62Å; F855-F870 HydrophobicContact CB-CD1 4.25Å; F855-F870 HydrophobicContact CB-CD2 3.49Å; F855-F870 VanDerWaalsContact CB-CD2 3.49Å; F855-F870 HydrophobicContact CB-CE2 4.18Å; F855-F870 HydrophobicContact CB-CG 3.52Å; F855-F870 HydrophobicContact CG-CB 4.38Å; F855-F870 HydrophobicContact CG-CG 4.4Å; V856-F870 WeakPolarHBondContact O-CE2 3.46Å; C857-F870 HydrophobicContact CB-CD2 4.43Å; C857-F870 HydrophobicContact CB-CE2 4.39Å; F864-F870 HydrophobicContact CB-CB 3.95Å; F864-F870 HydrophobicContact CD2-CB 4.15Å; F864-F870 HydrophobicContact CD2-CD2 4.41Å; F864-F870 HydrophobicContact CG-CB 4.17Å; K866-F870 PolarHBondContact O-N 2.88Å; Q867-F870 WeakPolarHBondContact O-CB 3.34Å; Q867-F870 PolarHBondContact O-N 3.28Å; K868-F870 VanDerWaalsContact C-N 3.25Å; K868-F870 PolarHBondContact O-N 2.9Å; F870-H873 PolarHBondContact O-N 3.22Å; F870-E874 WeakPolarHBondContact CE1-OE2 3.31Å; F870-E874 VanDerWaalsContact CZ-OE2 3.24Å; F870-E874 WeakPolarHBondContact CZ-OE2 3.37Å; F870-E874 WeakPolarHBondContact O-CA 3.47Å; F870-E874 WeakPolarHBondContact O-CB 3.47Å; F870-E874 PolarHBondContact O-N 2.79Å
871	S	76	Confident	66.4	Low	47 Å²	47	86.3 Å²	86.3	33%	0.329	44%	0.439	S	S	.	.	H	α-helix	trans	-71	-43.1	-177.2	-68.9	0	0	0	0	113.2	Q867 K868 H873 E874 L875	Q867-S871 PolarHBondContact NE2-OG 3.1Å; Q867-S871 WeakPolarHBondContact O-CB 3.14Å; Q867-S871 PolarHBondContact O-N 2.95Å; Q867-S871 PolarHBondContact O-OG 3.17Å; K868-S871 PolarHBondContact O-N 3.32Å; S871-H873 VanDerWaalsContact C-N 3.29Å; S871-H873 PolarHBondContact O-N 3.41Å; S871-E874 PolarHBondContact O-N 3.29Å; S871-L875 WeakPolarHBondContact O-CB 3.49Å; S871-L875 PolarHBondContact O-N 3.47Å
872	D	71	Confident	65.2	Low	74 Å²	74	91.5 Å²	91.5	40%	0.396	44%	0.443	S	S	.	.	H	α-helix	trans	-57.1	-45.8	173.1	-62.3	-19.6	0	0	0	109.6	K868 M876	K868-D872 WeakPolarHBondContact CE-OD1 3.45Å; K868-D872 WeakPolarHBondContact CE-OD2 3.45Å; K868-D872 VanDerWaalsContact CG-OD2 3.28Å; K868-D872 WeakPolarHBondContact CG-OD2 3.44Å; K868-D872 WeakPolarHBondContact O-CB 3.29Å; K868-D872 PolarHBondContact O-N 2.92Å; D872-M876 WeakPolarHBondContact O-CG 3.48Å; D872-M876 PolarHBondContact O-N 2.91Å
873	H	77	Confident	63.6	Low	34 Å²	34	91.6 Å²	91.6	16%	0.157	45%	0.449	C	S	.	.	H	α-helix	trans	-71.4	-39.8	176.7	171.9	59.1	0	0	0	113.3	C857 C860 F864 F869 F870 S871 L875 M876 C877	C857-H873 PolarHBondContact SG-CD2 3Å; C860-H873 PolarHBondContact SG-CE1 2.89Å; C860-H873 PolarHBondContact SG-NE2 3.04Å; F864-H873 HydrophobicContact CE1-CB 4.1Å; F864-H873 HydrophobicContact CE2-CB 4.14Å; F864-H873 AromaticContact CE2-CD2 3.31Å; F864-H873 WeakPolarHBondContact CE2-CD2 3.22Å; F864-H873 AromaticContact CE2-CG 3.88Å; F864-H873 HydrophobicContact CZ-CB 3.6Å; F864-H873 AromaticContact CZ-CD2 3.33Å; F864-H873 WeakPolarHBondContact CZ-CD2 3.25Å; F864-H873 AromaticContact CZ-CG 3.43Å; F864-H873 VanDerWaalsContact CZ-CG 3.43Å; F869-H873 WeakPolarHBondContact O-CB 3.33Å; F869-H873 PolarHBondContact O-N 3.41Å; F869-H873 VanDerWaalsContact O-N 3.11Å; F870-H873 PolarHBondContact O-N 3.22Å; S871-H873 VanDerWaalsContact C-N 3.29Å; S871-H873 PolarHBondContact O-N 3.41Å; H873-L875 VanDerWaalsContact C-N 3.34Å; H873-L875 PolarHBondContact O-N 3.03Å; H873-M876 PolarHBondContact O-N 3.16Å; H873-C877 WeakPolarHBondContact O-CB 3.34Å; H873-C877 PolarHBondContact O-N 3.21Å
874	E	73.7	Confident	62	Low	26 Å²	26	93 Å²	93	12%	0.121	46%	0.458	C	S	.	.	H	α-helix	trans	-65.1	-40.5	-179	-167.9	-175.7	-163.7	0	0	110.4	K858 F859 F870 S871 C877 Q878	K858-E874 IonicContact NZ-OE1 2.77Å; K858-E874 PolarHBondContact NZ-OE1 2.78Å; F859-E874 HydrophobicContact CD2-CG 3.9Å; F859-E874 HydrophobicContact CE2-CG 3.73Å; F870-E874 WeakPolarHBondContact CE1-OE2 3.31Å; F870-E874 VanDerWaalsContact CZ-OE2 3.24Å; F870-E874 WeakPolarHBondContact CZ-OE2 3.37Å; F870-E874 WeakPolarHBondContact O-CA 3.47Å; F870-E874 WeakPolarHBondContact O-CB 3.47Å; F870-E874 PolarHBondContact O-N 2.79Å; S871-E874 PolarHBondContact O-N 3.29Å; E874-C877 CarbonylContact O-C 3.47Å; E874-C877 PolarHBondContact O-N 3.45Å; E874-Q878 HydrophobicContact CG-CG 4.48Å; E874-Q878 WeakPolarHBondContact O-CB 3.49Å; E874-Q878 WeakPolarHBondContact O-CG 3.1Å; E874-Q878 PolarHBondContact O-N 2.97Å
875	L	71.1	Confident	59.6	Low	94 Å²	94	94.7 Å²	94.7	49%	0.492	47%	0.471	S	S	.	.	H	α-helix	trans	-60.7	-47.7	173.3	-171.4	72.4	0	0	0	111.4	S871 H873 C877 Q878 Q879	S871-L875 WeakPolarHBondContact O-CB 3.49Å; S871-L875 PolarHBondContact O-N 3.47Å; H873-L875 VanDerWaalsContact C-N 3.34Å; H873-L875 PolarHBondContact O-N 3.03Å; L875-C877 VanDerWaalsContact C-N 3.31Å; L875-C877 PolarHBondContact O-N 2.85Å; L875-Q878 PolarHBondContact O-N 3.4Å; L875-Q879 WeakPolarHBondContact O-CB 3.27Å; L875-Q879 VanDerWaalsContact O-CG 3.31Å; L875-Q879 WeakPolarHBondContact O-CG 3.03Å; L875-Q879 PolarHBondContact O-N 3.12Å
876	M	61.9	Low	57.7	Low	122 Å²	122	95.7 Å²	95.7	60%	0.601	48%	0.476	S	S	*	.	H	α-helix	trans	-63	-35.8	175.2	-68.3	-178.8	75.7	0	0	112.7	D872 H873 Q879 M880	D872-M876 WeakPolarHBondContact O-CG 3.48Å; D872-M876 PolarHBondContact O-N 2.91Å; H873-M876 PolarHBondContact O-N 3.16Å; M876-Q879 PolarHBondContact O-N 2.96Å; M876-M880 PolarHBondContact O-N 3.27Å
877	C	58.7	Low	55.6	Low	14 Å²	14	92 Å²	92	10%	0.095	47%	0.471	C	S	.	.	H	α-helix	trans	-86	-9.8	-178	-149.4	0	0	0	0	113.5	F859 H873 E874 L875	F859-C877 HydrophobicContact CB-CB 4.11Å; H873-C877 WeakPolarHBondContact O-CB 3.34Å; H873-C877 PolarHBondContact O-N 3.21Å; E874-C877 CarbonylContact O-C 3.47Å; E874-C877 PolarHBondContact O-N 3.45Å; L875-C877 VanDerWaalsContact C-N 3.31Å; L875-C877 PolarHBondContact O-N 2.85Å
878	Q	62.5	Low	53.8	Low	94 Å²	94	91.3 Å²	91.3	44%	0.439	48%	0.476	S	S	.	.	H	α-helix	trans	-80.8	-40.4	161.5	-77.2	169.2	16.6	0	0	110.9	F859 E874 L875	F859-Q878 HydrophobicContact CD2-CG 4.03Å; F859-Q878 HydrophobicContact CE1-CG 4.03Å; F859-Q878 HydrophobicContact CE2-CG 3.33Å; F859-Q878 HydrophobicContact CZ-CG 3.35Å; E874-Q878 HydrophobicContact CG-CG 4.48Å; E874-Q878 WeakPolarHBondContact O-CB 3.49Å; E874-Q878 WeakPolarHBondContact O-CG 3.1Å; E874-Q878 PolarHBondContact O-N 2.97Å; L875-Q878 PolarHBondContact O-N 3.4Å
879	Q	51.4	Low	52.5	Low	141 Å²	141	87.6 Å²	87.6	66%	0.659	47%	0.468	S	S	*	.	H	α-helix	trans	-75.8	-27.2	-179	-72.9	173.8	-14.6	0	0	113.4	L875 M876	L875-Q879 WeakPolarHBondContact O-CB 3.27Å; L875-Q879 VanDerWaalsContact O-CG 3.31Å; L875-Q879 WeakPolarHBondContact O-CG 3.03Å; L875-Q879 PolarHBondContact O-N 3.12Å; M876-Q879 PolarHBondContact O-N 2.96Å
880	M	38.4	Very low	51.9	Low	121 Å²	121	84.8 Å²	84.8	60%	0.596	47%	0.467	S	S	*	.	S	Bend	trans	-70.5	124.2	165.1	-77.6	-170	160.7	0	0	109.7	M876 R882	M876-M880 PolarHBondContact O-N 3.27Å; M880-R882 PolarHBondContact O-N 2.93Å
881	P	33.6	Very low	51.4	Low	87 Å²	87	84.4 Å²	84.4	57%	0.565	47%	0.465	S	S	*	.			trans	-66.5	104.4	-179.9	27.3	-33.9	0	0	0	109.6	L883	P881-L883 HydrophobicContact CB-CG 4.39Å; P881-L883 PolarHBondContact O-N 2.87Å
882	R	31.7	Very low	51.8	Low	158 Å²	158	87 Å²	87	60%	0.596	47%	0.473	S	S	*	.			trans	-73.2	68.6	158.4	-76.1	-146.9	-61.5	-177.2	-16.5	109.4	K858 F859 M880 S884	K858-R882 PolarHBondContact O-NH2 2.83Å; F859-R882 PolarHBondContact O-NH1 3.4Å; F859-R882 PolarHBondContact O-NH2 3.03Å; M880-R882 PolarHBondContact O-N 2.93Å; R882-S884 PolarHBondContact O-N 3.18Å; R882-S884 VanDerWaalsContact O-N 3.08Å
883	L	29.6	Very low	52.8	Low	115 Å²	115	84.8 Å²	84.8	60%	0.602	46%	0.459	S	S	*	.			trans	-56.2	111.1	154	-75.6	164.7	0	0	0	106.5	P881 V885	P881-L883 HydrophobicContact CB-CG 4.39Å; P881-L883 PolarHBondContact O-N 2.87Å; L883-V885 PolarHBondContact O-N 3.38Å
884	S	27.6	Very low	53.5	Low	111 Å²	111	85.3 Å²	85.3	78%	0.776	46%	0.463	S	S	*	.			trans	-65.2	91.4	163.3	49.4	0	0	0	0	106.9	R882 Q886	R882-S884 PolarHBondContact O-N 3.18Å; R882-S884 VanDerWaalsContact O-N 3.08Å; S884-Q886 PolarHBondContact O-N 3.25Å
885	V	31.3	Very low	54.4	Low	74 Å²	74	87.1 Å²	87.1	45%	0.448	47%	0.473	S	S	.	.			trans	-55.7	111.8	171.7	-179.7	0	0	0	0	106.7	L883 A887	L883-V885 PolarHBondContact O-N 3.38Å; V885-A887 PolarHBondContact O-N 3.1Å
886	Q	32	Very low	55.6	Low	188 Å²	188	86.2 Å²	86.2	88%	0.879	47%	0.469	S	S	*	.			trans	-62.6	105.8	163.1	-76.7	-179.1	-40.2	0	0	105.6	S884 S888	S884-Q886 PolarHBondContact O-N 3.25Å; Q886-S888 VanDerWaalsContact C-N 3.3Å; Q886-S888 PolarHBondContact O-N 3.21Å
887	A	32.1	Very low	57.3	Low	59 Å²	59	85.1 Å²	85.1	49%	0.488	46%	0.461	S	S	.	.			trans	-72.6	88.4	-175.4	0	0	0	0	0	109.3	V885 S889	V885-A887 PolarHBondContact O-N 3.1Å; A887-S889 PolarHBondContact O-N 3.25Å
888	S	37.3	Very low	59.1	Low	72 Å²	72	89.3 Å²	89.3	50%	0.503	48%	0.479	S	S	.	.			trans	-56.3	117.1	151.4	-179.7	0	0	0	0	106.9	Q886 A890	Q886-S888 VanDerWaalsContact C-N 3.3Å; Q886-S888 PolarHBondContact O-N 3.21Å; S888-A890 PolarHBondContact O-N 2.77Å; S888-A890 PolarHBondContact OG-N 2.84Å; S888-A890 PolarHBondContact OG-O 2.77Å
889	S	49	Very low	60.7	Low	65 Å²	65	85.1 Å²	85.1	46%	0.455	46%	0.46	S	S	.	.	S	Bend	trans	-69.1	-20.5	175.4	51	0	0	0	0	112	A887	A887-S889 PolarHBondContact O-N 3.25Å
890	A	59.8	Low	62.7	Low	59 Å²	59	83 Å²	83	49%	0.488	46%	0.461	S	S	.	.	S	Bend	trans	-97.3	135.5	174.5	0	0	0	0	0	112.2	S888 Q892	S888-A890 PolarHBondContact O-N 2.77Å; S888-A890 PolarHBondContact OG-N 2.84Å; S888-A890 PolarHBondContact OG-O 2.77Å; A890-Q892 PolarHBondContact O-N 3Å
891	L	74.7	Confident	65.3	Low	17 Å²	17	81.8 Å²	81.8	9%	0.089	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-58.4	123	164.2	174.4	167.2	0	0	0	110.6	F893 L909 W910 L911 N1079 F1081 A1108	L891-F893 HydrophobicContact CD2-CB 3.84Å; L891-L909 HydrophobicContact CD1-CD2 4Å; L891-L909 HydrophobicContact CD2-CD2 3.95Å; L891-L909 HydrophobicContact CG-CD2 4.19Å; L891-W910 WeakPolarHBondContact CA-O 3.35Å; L891-L911 HydrophobicContact CB-CD2 4.34Å; L891-L911 HydrophobicContact CD1-CD2 3.65Å; L891-L911 HydrophobicContact CG-CD2 3.95Å; L891-N1079 HydrophobicContact CB-CB 4.35Å; L891-N1079 WeakPolarHBondContact CB-OD1 3.15Å; L891-N1079 HydrophobicContact CD1-CB 4.17Å; L891-N1079 PolarHBondContact N-OD1 2.72Å; L891-N1079 VanDerWaalsContact N-OD1 3.09Å; L891-F1081 HydrophobicContact CD1-CE1 4Å; L891-F1081 HydrophobicContact CD1-CZ 4.35Å; L891-A1108 HydrophobicContact CB-CB 4.4Å; L891-A1108 HydrophobicContact CD1-CB 4.2Å
892	Q	83.6	Confident	68.3	Low	103 Å²	103	78.5 Å²	78.5	48%	0.481	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	136.6	166.8	175.2	-179.2	-15.3	0	0	109	A890 D894 W910	A890-Q892 PolarHBondContact O-N 3Å; Q892-D894 WeakPolarHBondContact CG-OD1 3.42Å; Q892-D894 PolarHBondContact NE2-OD1 3.11Å; Q892-D894 PolarHBondContact NE2-OD2 3.11Å; Q892-W910 HydrophobicContact CB-CB 4.09Å; Q892-W910 HydrophobicContact CB-CG 4.32Å; Q892-W910 PolarHBondContact O-N 3Å
893	F	90.9	Very high	71.4	Confident	26 Å²	26	74 Å²	74	11%	0.114	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	101.6	-176.2	-179.3	-109.6	0	0	0	110.1	L891 I895 C907 N908 L909 P1140	L891-F893 HydrophobicContact CD2-CB 3.84Å; F893-I895 HydrophobicContact CD1-CG1 4.47Å; F893-I895 HydrophobicContact CE1-CD1 4.4Å; F893-I895 HydrophobicContact CE1-CG1 3.86Å; F893-I895 HydrophobicContact CZ-CG1 4.47Å; F893-C907 HydrophobicContact CD2-CB 4.28Å; F893-C907 HydrophobicContact CE1-CB 4.42Å; F893-C907 HydrophobicContact CE2-CB 3.44Å; F893-C907 VanDerWaalsContact CE2-CB 3.44Å; F893-C907 HydrophobicContact CZ-CB 3.52Å; F893-N908 WeakPolarHBondContact CA-O 3.17Å; F893-L909 HydrophobicContact CD2-CD2 3.53Å; F893-L909 HydrophobicContact CD2-CG 4.06Å; F893-L909 HydrophobicContact CE2-CD2 4.12Å; F893-L909 HydrophobicContact CE2-CG 4.37Å; F893-L909 HydrophobicContact CG-CD2 4.5Å; F893-P1140 HydrophobicContact CD2-CB 4.37Å; F893-P1140 HydrophobicContact CE2-CB 4.05Å
894	D	91.9	Very high	74.6	Confident	45 Å²	45	68.6 Å²	68.6	24%	0.241	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	119.9	-178	-46.7	-45.1	0	0	0	109.8	Q892 L896 C907 N908 W910	Q892-D894 WeakPolarHBondContact CG-OD1 3.42Å; Q892-D894 PolarHBondContact NE2-OD1 3.11Å; Q892-D894 PolarHBondContact NE2-OD2 3.11Å; D894-L896 HydrophobicContact CB-CD2 4.29Å; D894-C907 CarbonylContact O-C 3.52Å; D894-C907 WeakPolarHBondContact O-CA 3.01Å; D894-C907 VanDerWaalsContact O-CB 3.22Å; D894-C907 WeakPolarHBondContact O-CB 3.45Å; D894-N908 HydrophobicContact CB-CB 4.3Å; D894-N908 PolarHBondContact N-O 3.38Å; D894-N908 PolarHBondContact O-N 3.37Å; D894-W910 PolarHBondContact OD2-NE1 2.87Å
895	I	94.4	Very high	78	Confident	65 Å²	65	63.4 Å²	63.4	33%	0.333	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	121.5	168.1	-54.5	178.1	0	0	0	107.5	F893 E898	F893-I895 HydrophobicContact CD1-CG1 4.47Å; F893-I895 HydrophobicContact CE1-CD1 4.4Å; F893-I895 HydrophobicContact CE1-CG1 3.86Å; F893-I895 HydrophobicContact CZ-CG1 4.47Å; I895-E898 HydrophobicContact CG2-CG 3.5Å; I895-E898 VanDerWaalsContact CG2-CG 3.5Å
896	L	95.1	Very high	81.1	Confident	75 Å²	75	60.2 Å²	60.2	39%	0.393	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-44.7	-178.8	-54.4	-178.9	0	0	0	111.8	D894 C906	D894-L896 HydrophobicContact CB-CD2 4.29Å; L896-C906 WeakPolarHBondContact CB-O 3.22Å; L896-C906 PolarHBondContact N-O 3.19Å
897	F	96.9	Very high	84.2	Confident	99 Å²	99	51.3 Å²	51.3	43%	0.434	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	142.5	-176.7	-56.9	-81.8	0	0	0	109.7	R905 C906 I1250 S1251	F897-R905 CarbonylContact O-C 3.51Å; F897-R905 VanDerWaalsContact O-CA 3.27Å; F897-R905 WeakPolarHBondContact O-CA 3.23Å; F897-R905 WeakPolarHBondContact O-CB 3.22Å; F897-C906 HydrophobicContact CB-CB 4.21Å; F897-C906 HydrophobicContact CD2-CB 4.23Å; F897-C906 PolarHBondContact N-O 2.74Å; F897-C906 PolarHBondContact O-N 3.47Å; F897-I1250 HydrophobicContact CB-CG2 4.11Å; F897-S1251 VanDerWaalsContact CD2-CB 3.45Å
898	E	96.7	Very high	87.2	Confident	102 Å²	102	49.6 Å²	49.6	48%	0.477	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.5	169.9	-56.6	-162.6	101.6	0	0	108.8	I895 S900 R905	I895-E898 HydrophobicContact CG2-CG 3.5Å; I895-E898 VanDerWaalsContact CG2-CG 3.5Å; E898-S900 PolarHBondContact O-N 3.17Å; E898-R905 HydrophobicContact CB-CB 4.4Å; E898-R905 HydrophobicContact CG-CB 3.86Å
899	C	96.1	Very high	89.9	Confident	6 Å²	6	46.1 Å²	46.1	4%	0.041	25%	0.248	C	C	.	.			trans	-70.7	124.2	-179.5	176.9	0	0	0	0	110.1	Q901 T902 A904	C899-Q901 PolarHBondContact O-N 3.14Å; C899-T902 WeakPolarHBondContact CB-OG1 3.47Å; C899-T902 PolarHBondContact O-N 3.4Å; C899-T902 VanDerWaalsContact O-O 3.11Å; C899-T902 PolarHBondContact SG-OG1 3.08Å; C899-A904 HydrophobicContact CB-CB 4.13Å; C899-A904 VanDerWaalsContact CB-O 3.3Å; C899-A904 WeakPolarHBondContact CB-O 3.3Å; C899-A904 PolarHBondContact N-O 2.94Å
900	S	93.4	Very high	91.9	Very high	97 Å²	97	48 Å²	48	68%	0.678	25%	0.245	S	C	*	.	S	Bend	trans	-59.8	-18.6	-177.2	52.6	0	0	0	0	115.8	E898 N1253	E898-S900 PolarHBondContact O-N 3.17Å; S900-N1253 WeakPolarHBondContact CB-OD1 3.37Å; S900-N1253 PolarHBondContact N-OD1 3.37Å; S900-N1253 VanDerWaalsContact N-OD1 3.15Å; S900-N1253 VanDerWaalsContact OG-CG 3.3Å; S900-N1253 PolarHBondContact OG-ND2 3.16Å; S900-N1253 PolarHBondContact OG-OD1 2.9Å
901	Q	93.4	Very high	93.4	Very high	95 Å²	95	45.6 Å²	45.6	44%	0.444	22%	0.224	S	C	.	.	S	Bend	trans	-112.8	-23	-176.1	-178.5	173.9	-5.6	0	0	114.1	C899 P1256 G1296	C899-Q901 PolarHBondContact O-N 3.14Å; Q901-P1256 HydrophobicContact CB-CG 4.24Å; Q901-G1296 PolarHBondContact NE2-O 3.1Å
902	T	96.6	Very high	93.9	Very high	17 Å²	17	45.8 Å²	45.8	10%	0.104	23%	0.226	C	C	.	.	S	Bend	trans	-123.1	-165.9	-174.1	75.7	0	0	0	0	110.8	C899 A904 F1255 V1295 I1297	C899-T902 WeakPolarHBondContact CB-OG1 3.47Å; C899-T902 PolarHBondContact O-N 3.4Å; C899-T902 VanDerWaalsContact O-O 3.11Å; C899-T902 PolarHBondContact SG-OG1 3.08Å; T902-A904 WeakPolarHBondContact OG1-CB 3.21Å; T902-A904 PolarHBondContact OG1-N 2.86Å; T902-A904 VanDerWaalsContact OG1-N 3.14Å; T902-F1255 HydrophobicContact CG2-CD1 4.09Å; T902-F1255 HydrophobicContact CG2-CE1 4.21Å; T902-V1295 HydrophobicContact CG2-CG2 4.46Å; T902-I1297 HydrophobicContact CG2-CD1 3.45Å; T902-I1297 VanDerWaalsContact CG2-CD1 3.45Å; T902-I1297 HydrophobicContact CG2-CG1 3.92Å
903	R	96.8	Very high	94.1	Very high	64 Å²	64	44 Å²	44	24%	0.242	22%	0.218	C	C	.	.	S	Bend	trans	-106.4	7.7	173.1	-52	-171.5	69.7	-143.6	-1.4	112.5	T1132 E1133 A1157 G1159 V1295	R903-T1132 PolarHBondContact NH1-O 3.18Å; R903-T1132 VanDerWaalsContact NH1-O 3.15Å; R903-T1132 PolarHBondContact NH1-OG1 3.39Å; R903-T1132 PolarHBondContact NH2-O 3.34Å; R903-E1133 VanDerWaalsContact NH1-CG 3.31Å; R903-A1157 PolarHBondContact N-O 3.15Å; R903-G1159 WeakPolarHBondContact O-CA 3.19Å; R903-V1295 HydrophobicContact CG-CG1 4.4Å
904	A	97.9	Very high	93.7	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.008	22%	0.218	C	C	.	.			trans	-67.4	138.9	175.7	0	0	0	0	0	110.9	C899 T902 I1156 I1250 F1255	C899-A904 HydrophobicContact CB-CB 4.13Å; C899-A904 VanDerWaalsContact CB-O 3.3Å; C899-A904 WeakPolarHBondContact CB-O 3.3Å; C899-A904 PolarHBondContact N-O 2.94Å; T902-A904 WeakPolarHBondContact OG1-CB 3.21Å; T902-A904 PolarHBondContact OG1-N 2.86Å; T902-A904 VanDerWaalsContact OG1-N 3.14Å; A904-I1156 WeakPolarHBondContact CA-O 3.37Å; A904-I1156 HydrophobicContact CB-CG2 3.76Å; A904-I1156 WeakPolarHBondContact CB-O 3.33Å; A904-I1156 PolarHBondContact N-O 3.44Å; A904-I1250 HydrophobicContact CB-CD1 3.91Å; A904-I1250 HydrophobicContact CB-CG1 4.13Å; A904-F1255 HydrophobicContact CB-CD1 3.73Å; A904-F1255 HydrophobicContact CB-CD2 4.47Å; A904-F1255 HydrophobicContact CB-CE1 3.56Å; A904-F1255 HydrophobicContact CB-CE2 4.33Å; A904-F1255 HydrophobicContact CB-CG 4.19Å; A904-F1255 HydrophobicContact CB-CZ 3.89Å
905	R	97.4	Very high	92.9	Very high	3 Å²	3	43.2 Å²	43.2	1%	0.011	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	155.4	-176.2	61	179.6	-171.6	167.6	1.8	112	F897 E898 C907 P922 L1137 R1139 R1141 D1161	F897-R905 CarbonylContact O-C 3.51Å; F897-R905 VanDerWaalsContact O-CA 3.27Å; F897-R905 WeakPolarHBondContact O-CA 3.23Å; F897-R905 WeakPolarHBondContact O-CB 3.22Å; E898-R905 HydrophobicContact CB-CB 4.4Å; E898-R905 HydrophobicContact CG-CB 3.86Å; R905-C907 VanDerWaalsContact CD-SG 3.54Å; R905-P922 VanDerWaalsContact O-CD 3.27Å; R905-P922 WeakPolarHBondContact O-CD 3.34Å; R905-L1137 PolarHBondContact NH1-O 2.98Å; R905-R1139 PolarHBondContact NH2-O 3.19Å; R905-R1141 VanDerWaalsContact CZ-CZ 3.45Å; R905-R1141 VanDerWaalsContact CZ-NH2 3.26Å; R905-R1141 VanDerWaalsContact NE-NH2 3.12Å; R905-R1141 VanDerWaalsContact NH2-CZ 3.31Å; R905-D1161 IonicContact CZ-OD1 2.59Å; R905-D1161 IonicContact CZ-OD2 3.87Å; R905-D1161 IonicContact NE-OD1 2.72Å; R905-D1161 PolarHBondContact NE-OD1 2.99Å; R905-D1161 IonicContact NE-OD2 3.5Å; R905-D1161 IonicContact NH2-OD1 3.58Å; R905-D1161 PolarHBondContact NH2-OD1 3.25Å; R905-D1161 IonicContact NH2-OD2 2.89Å; R905-D1161 PolarHBondContact NH2-OD2 3.28Å
906	C	97.3	Very high	91.9	Very high	7 Å²	7	43 Å²	43	5%	0.047	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.7	174.1	-174	0	0	0	0	108.6	L896 F897 T921 I1250	L896-C906 WeakPolarHBondContact CB-O 3.22Å; L896-C906 PolarHBondContact N-O 3.19Å; F897-C906 HydrophobicContact CB-CB 4.21Å; F897-C906 HydrophobicContact CD2-CB 4.23Å; F897-C906 PolarHBondContact N-O 2.74Å; F897-C906 PolarHBondContact O-N 3.47Å; C906-T921 VanDerWaalsContact CA-O 3.31Å; C906-T921 WeakPolarHBondContact CA-O 3.16Å; C906-I1250 HydrophobicContact CB-CB 4.46Å; C906-I1250 HydrophobicContact CB-CG2 4.04Å
907	C	96.8	Very high	91.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	149.7	-174.8	-43.6	0	0	0	0	112.3	F893 D894 R905 T921	F893-C907 HydrophobicContact CD2-CB 4.28Å; F893-C907 HydrophobicContact CE1-CB 4.42Å; F893-C907 HydrophobicContact CE2-CB 3.44Å; F893-C907 VanDerWaalsContact CE2-CB 3.44Å; F893-C907 HydrophobicContact CZ-CB 3.52Å; D894-C907 CarbonylContact O-C 3.52Å; D894-C907 WeakPolarHBondContact O-CA 3.01Å; D894-C907 VanDerWaalsContact O-CB 3.22Å; D894-C907 WeakPolarHBondContact O-CB 3.45Å; R905-C907 VanDerWaalsContact CD-SG 3.54Å; C907-T921 WeakPolarHBondContact CA-OG1 3.25Å; C907-T921 VanDerWaalsContact CB-OG1 3.28Å; C907-T921 WeakPolarHBondContact CB-OG1 3.47Å; C907-T921 PolarHBondContact N-O 3.23Å; C907-T921 PolarHBondContact N-OG1 2.88Å; C907-T921 PolarHBondContact O-N 3.05Å; C907-T921 PolarHBondContact O-OG1 3.06Å
908	N	96	Very high	91.3	Very high	23 Å²	23	37 Å²	37	12%	0.123	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	130.4	172.8	-76.3	-22.6	0	0	0	111.2	F893 D894 P918	F893-N908 WeakPolarHBondContact CA-O 3.17Å; D894-N908 HydrophobicContact CB-CB 4.3Å; D894-N908 PolarHBondContact N-O 3.38Å; D894-N908 PolarHBondContact O-N 3.37Å; N908-P918 HydrophobicContact CB-CB 4Å; N908-P918 HydrophobicContact CB-CG 3.86Å; N908-P918 VanDerWaalsContact CG-CG 3.45Å; N908-P918 WeakPolarHBondContact OD1-CG 3.21Å
909	L	94	Very high	91.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	109	164.9	-72.9	164	0	0	0	109.4	L891 F893 P918 V919 T921 P1140 M1162	L891-L909 HydrophobicContact CD1-CD2 4Å; L891-L909 HydrophobicContact CD2-CD2 3.95Å; L891-L909 HydrophobicContact CG-CD2 4.19Å; F893-L909 HydrophobicContact CD2-CD2 3.53Å; F893-L909 HydrophobicContact CD2-CG 4.06Å; F893-L909 HydrophobicContact CE2-CD2 4.12Å; F893-L909 HydrophobicContact CE2-CG 4.37Å; F893-L909 HydrophobicContact CG-CD2 4.5Å; L909-P918 WeakPolarHBondContact O-CB 3.12Å; L909-V919 HydrophobicContact CB-CB 4.09Å; L909-V919 WeakPolarHBondContact CB-O 3.45Å; L909-V919 PolarHBondContact N-O 3.45Å; L909-V919 PolarHBondContact O-N 3.31Å; L909-T921 HydrophobicContact CD1-CG2 3.48Å; L909-T921 VanDerWaalsContact CD1-CG2 3.48Å; L909-T921 HydrophobicContact CG-CG2 4.07Å; L909-P1140 HydrophobicContact CD2-CB 3.97Å; L909-P1140 HydrophobicContact CD2-CG 3.82Å; L909-M1162 HydrophobicContact CD1-CE 4.48Å; L909-M1162 HydrophobicContact CD1-CG 4.22Å; L909-M1162 HydrophobicContact CD1-SD 3.75Å
910	W	90.9	Very high	91.2	Very high	104 Å²	104	35.7 Å²	35.7	39%	0.394	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	114.3	170.5	-61.6	93.6	0	0	0	109.5	L891 Q892 D894 P918	L891-W910 WeakPolarHBondContact CA-O 3.35Å; Q892-W910 HydrophobicContact CB-CB 4.09Å; Q892-W910 HydrophobicContact CB-CG 4.32Å; Q892-W910 PolarHBondContact O-N 3Å; D894-W910 PolarHBondContact OD2-NE1 2.87Å; W910-P918 HydrophobicContact CD2-CB 3.88Å; W910-P918 HydrophobicContact CD2-CG 4.4Å; W910-P918 HydrophobicContact CE3-CB 4.01Å; W910-P918 HydrophobicContact CE3-CG 4.49Å; W910-P918 HydrophobicContact CG-CB 4.33Å; W910-P918 HydrophobicContact CH2-CG 4.13Å; W910-P918 HydrophobicContact CZ2-CB 4.4Å; W910-P918 HydrophobicContact CZ2-CG 4.01Å; W910-P918 HydrophobicContact CZ3-CB 4.34Å; W910-P918 HydrophobicContact CZ3-CG 4.36Å
911	L	89.6	Confident	91.4	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.042	16%	0.164	C	C	.	.			trans	-120.9	152.8	179.4	-60.3	174.8	0	0	0	110	L891 H913 C914 V919 I948 A980 D1033 I1034	L891-L911 HydrophobicContact CB-CD2 4.34Å; L891-L911 HydrophobicContact CD1-CD2 3.65Å; L891-L911 HydrophobicContact CG-CD2 3.95Å; L911-H913 PolarHBondContact O-N 3Å; L911-H913 VanDerWaalsContact O-N 3.08Å; L911-C914 PolarHBondContact N-SG 3.47Å; L911-C914 VanDerWaalsContact N-SG 3.37Å; L911-C914 VanDerWaalsContact O-CB 3.28Å; L911-C914 WeakPolarHBondContact O-CB 3.41Å; L911-C914 PolarHBondContact O-N 3.11Å; L911-C914 VanDerWaalsContact O-N 3.14Å; L911-C914 PolarHBondContact O-SG 3.24Å; L911-V919 HydrophobicContact CD1-CG2 4Å; L911-I948 HydrophobicContact CD1-CD1 4.05Å; L911-A980 HydrophobicContact CB-CB 4.33Å; L911-A980 HydrophobicContact CD1-CB 3.69Å; L911-D1033 HydrophobicContact CB-CB 4.01Å; L911-D1033 HydrophobicContact CD1-CB 4.22Å; L911-D1033 HydrophobicContact CD2-CB 4.38Å; L911-D1033 HydrophobicContact CG-CB 4.44Å; L911-I1034 HydrophobicContact CD1-CD1 3.86Å; L911-I1034 HydrophobicContact CD1-CG1 4.16Å; L911-I1034 HydrophobicContact CD2-CD1 4.03Å; L911-I1034 HydrophobicContact CD2-CG1 3.87Å
912	P	85.8	Confident	91.7	Very high	22 Å²	22	26.6 Å²	26.6	14%	0.143	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-39	-178	-30.3	35.1	0	0	0	115	C914 D1033 N1077	P912-C914 PolarHBondContact O-N 3.42Å; P912-D1033 WeakPolarHBondContact CD-OD1 3.22Å; P912-N1077 HydrophobicContact CB-CB 4.28Å; P912-N1077 HydrophobicContact CG-CB 3.84Å
913	H	88	Confident	91.7	Very high	65 Å²	65	26.2 Å²	26.2	30%	0.301	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	57.5	175.9	-57	91.7	0	0	0	113	L911 P915 H972 R979 A980 D1033	L911-H913 PolarHBondContact O-N 3Å; L911-H913 VanDerWaalsContact O-N 3.08Å; H913-P915 WeakPolarHBondContact O-CD 3.44Å; H913-H972 AromaticContact CD2-ND1 3.7Å; H913-H972 AromaticContact CE1-CD2 3.71Å; H913-H972 AromaticContact CE1-CE1 3.66Å; H913-H972 AromaticContact CE1-CG 3.9Å; H913-H972 AromaticContact CE1-ND1 3.87Å; H913-H972 AromaticContact CE1-NE2 3.62Å; H913-H972 AromaticContact CG-CE1 3.51Å; H913-H972 AromaticContact CG-ND1 3.61Å; H913-H972 AromaticContact ND1-CE1 3.27Å; H913-H972 PolarHBondContact ND1-CE1 3.34Å; H913-H972 VanDerWaalsContact ND1-CE1 3.27Å; H913-H972 AromaticContact ND1-ND1 3.73Å; H913-H972 AromaticContact ND1-NE2 3.57Å; H913-H972 AromaticContact NE2-CG 3.83Å; H913-H972 AromaticContact NE2-ND1 3.88Å; H913-R979 CarbonylContact O-C 3.52Å; H913-R979 VanDerWaalsContact O-C 3.31Å; H913-R979 VanDerWaalsContact O-CA 3.27Å; H913-R979 WeakPolarHBondContact O-CA 3.29Å; H913-A980 PolarHBondContact O-N 3.25Å; H913-A980 VanDerWaalsContact O-N 3.12Å; H913-D1033 WeakPolarHBondContact CB-OD1 3.38Å; H913-D1033 IonicContact CE1-OD1 2.99Å; H913-D1033 IonicContact CG-OD1 2.66Å; H913-D1033 PolarHBondContact N-OD1 3.17Å; H913-D1033 IonicContact ND1-OD1 2.65Å; H913-D1033 PolarHBondContact ND1-OD1 2.84Å; H913-D1033 IonicContact ND1-OD2 2.69Å; H913-D1033 PolarHBondContact ND1-OD2 3.31Å
914	C	83.7	Confident	91.8	Very high	18 Å²	18	23.2 Å²	23.2	12%	0.122	13%	0.129	C	C	.	.			trans	-110.4	53.9	172.5	-70.1	0	0	0	0	114	L911 P912 S916 G917	L911-C914 PolarHBondContact N-SG 3.47Å; L911-C914 VanDerWaalsContact N-SG 3.37Å; L911-C914 VanDerWaalsContact O-CB 3.28Å; L911-C914 WeakPolarHBondContact O-CB 3.41Å; L911-C914 PolarHBondContact O-N 3.11Å; L911-C914 VanDerWaalsContact O-N 3.14Å; L911-C914 PolarHBondContact O-SG 3.24Å; P912-C914 PolarHBondContact O-N 3.42Å; C914-S916 PolarHBondContact O-N 3.16Å; C914-G917 WeakPolarHBondContact CB-O 3.38Å; C914-G917 PolarHBondContact O-N 2.85Å
915	P	75.1	Confident	91.7	Very high	36 Å²	36	23.1 Å²	23.1	23%	0.234	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	4.2	-167.6	32.9	-40.4	0	0	0	116	H913 P978	H913-P915 WeakPolarHBondContact O-CD 3.44Å; P915-P978 WeakPolarHBondContact CD-O 3.45Å; P915-P978 WeakPolarHBondContact CG-O 3.47Å
916	S	72.7	Confident	91.5	Very high	62 Å²	62	23 Å²	23	43%	0.434	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-151.1	39	176.9	43.3	0	0	0	0	111.7	C914 R947	C914-S916 PolarHBondContact O-N 3.16Å; S916-R947 VanDerWaalsContact C-NH1 3.31Å; S916-R947 PolarHBondContact O-NH1 3.12Å; S916-R947 PolarHBondContact OG-NH1 2.61Å; S916-R947 VanDerWaalsContact OG-NH1 3.11Å
917	G	85.2	Confident	90.9	Very high	28 Å²	28	23.4 Å²	23.4	29%	0.289	13%	0.13	S	C	.	.	S	Bend	trans	109.7	159.7	-176.9	0	0	0	0	0	113.2	C914	C914-G917 WeakPolarHBondContact CB-O 3.38Å; C914-G917 PolarHBondContact O-N 2.85Å
918	P	93	Very high	89.7	Confident	19 Å²	19	23.6 Å²	23.6	12%	0.123	13%	0.133	C	C	.	.			trans	-67.5	174.1	-176.7	29.2	-35	0	0	0	112.8	N908 L909 W910 E920	N908-P918 HydrophobicContact CB-CB 4Å; N908-P918 HydrophobicContact CB-CG 3.86Å; N908-P918 VanDerWaalsContact CG-CG 3.45Å; N908-P918 WeakPolarHBondContact OD1-CG 3.21Å; L909-P918 WeakPolarHBondContact O-CB 3.12Å; W910-P918 HydrophobicContact CD2-CB 3.88Å; W910-P918 HydrophobicContact CD2-CG 4.4Å; W910-P918 HydrophobicContact CE3-CB 4.01Å; W910-P918 HydrophobicContact CE3-CG 4.49Å; W910-P918 HydrophobicContact CG-CB 4.33Å; W910-P918 HydrophobicContact CH2-CG 4.13Å; W910-P918 HydrophobicContact CZ2-CB 4.4Å; W910-P918 HydrophobicContact CZ2-CG 4.01Å; W910-P918 HydrophobicContact CZ3-CB 4.34Å; W910-P918 HydrophobicContact CZ3-CG 4.36Å; P918-E920 PolarHBondContact O-N 2.95Å
919	V	95.3	Very high	88.4	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	102.3	165.4	-178	0	0	0	0	108.1	L909 L911 V923 R947 I948 A980	L909-V919 HydrophobicContact CB-CB 4.09Å; L909-V919 WeakPolarHBondContact CB-O 3.45Å; L909-V919 PolarHBondContact N-O 3.45Å; L909-V919 PolarHBondContact O-N 3.31Å; L911-V919 HydrophobicContact CD1-CG2 4Å; V919-V923 HydrophobicContact CG1-CB 4.36Å; V919-V923 HydrophobicContact CG1-CG1 4.2Å; V919-V923 HydrophobicContact CG1-CG2 4.04Å; V919-R947 HydrophobicContact CB-CB 4.45Å; V919-R947 HydrophobicContact CG1-CB 4.33Å; V919-R947 HydrophobicContact CG2-CB 4.06Å; V919-I948 HydrophobicContact CG1-CB 4.23Å; V919-I948 HydrophobicContact CG1-CG2 3.73Å; V919-I948 HydrophobicContact CG2-CB 4.12Å; V919-A980 HydrophobicContact CG2-CB 4.09Å
920	E	96.8	Very high	86.8	Confident	80 Å²	80	30.2 Å²	30.2	37%	0.374	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	137.1	173.7	-51	-179.2	130.7	0	0	111.2	P918 V923 R1247	P918-E920 PolarHBondContact O-N 2.95Å; E920-V923 WeakPolarHBondContact O-CB 3.44Å; E920-R1247 VanDerWaalsContact CB-NE 3.32Å; E920-R1247 IonicContact OE2-CZ 3.06Å; E920-R1247 IonicContact OE2-NE 2.75Å; E920-R1247 PolarHBondContact OE2-NE 2.79Å; E920-R1247 IonicContact OE2-NH2 2.82Å; E920-R1247 PolarHBondContact OE2-NH2 3.43Å
921	T	97.8	Very high	85.1	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	152.3	177.4	58.7	0	0	0	0	111.9	C906 C907 L909 V923 D1161 M1162 R1247	C906-T921 VanDerWaalsContact CA-O 3.31Å; C906-T921 WeakPolarHBondContact CA-O 3.16Å; C907-T921 WeakPolarHBondContact CA-OG1 3.25Å; C907-T921 VanDerWaalsContact CB-OG1 3.28Å; C907-T921 WeakPolarHBondContact CB-OG1 3.47Å; C907-T921 PolarHBondContact N-O 3.23Å; C907-T921 PolarHBondContact N-OG1 2.88Å; C907-T921 PolarHBondContact O-N 3.05Å; C907-T921 PolarHBondContact O-OG1 3.06Å; L909-T921 HydrophobicContact CD1-CG2 3.48Å; L909-T921 VanDerWaalsContact CD1-CG2 3.48Å; L909-T921 HydrophobicContact CG-CG2 4.07Å; T921-V923 HydrophobicContact CG2-CB 4.49Å; T921-V923 HydrophobicContact CG2-CG1 4.06Å; T921-D1161 HydrophobicContact CG2-CB 4.32Å; T921-M1162 HydrophobicContact CG2-CG 4.4Å; T921-R1247 WeakPolarHBondContact O-CD 3.45Å; T921-R1247 WeakPolarHBondContact O-CG 3.34Å
922	P	98.3	Very high	83.6	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.006	18%	0.177	C	C	.	.	S	Bend	cis	-64.1	145.6	0.6	25.4	-37	0	0	0	113.7	R905 I1156 D1161 F1163 M1243 I1246 R1247 I1250	R905-P922 VanDerWaalsContact O-CD 3.27Å; R905-P922 WeakPolarHBondContact O-CD 3.34Å; P922-I1156 HydrophobicContact CB-CD1 3.64Å; P922-I1156 HydrophobicContact CB-CG1 3.8Å; P922-I1156 HydrophobicContact CB-CG2 4.49Å; P922-I1156 HydrophobicContact CG-CD1 3.79Å; P922-I1156 HydrophobicContact CG-CG1 4.17Å; P922-I1156 HydrophobicContact CG-CG2 4.11Å; P922-D1161 CarbonylContact C-O 3.17Å; P922-D1161 WeakPolarHBondContact CA-O 3.13Å; P922-F1163 HydrophobicContact CB-CE2 4.18Å; P922-M1243 HydrophobicContact CB-SD 4.26Å; P922-I1246 HydrophobicContact CG-CB 4.48Å; P922-I1246 HydrophobicContact CG-CG2 3.71Å; P922-R1247 HydrophobicContact CG-CG 4.4Å; P922-R1247 PolarHBondContact O-NH1 2.85Å; P922-I1250 HydrophobicContact CG-CD1 4.43Å
923	V	98	Very high	82.7	Confident	9 Å²	9	27.5 Å²	27.5	6%	0.055	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	133.4	-174.4	70.7	0	0	0	0	112.4	V919 E920 T921 M925 I948 D1161 M1162 F1163	V919-V923 HydrophobicContact CG1-CB 4.36Å; V919-V923 HydrophobicContact CG1-CG1 4.2Å; V919-V923 HydrophobicContact CG1-CG2 4.04Å; E920-V923 WeakPolarHBondContact O-CB 3.44Å; T921-V923 HydrophobicContact CG2-CB 4.49Å; T921-V923 HydrophobicContact CG2-CG1 4.06Å; V923-M925 HydrophobicContact CG1-CG 4.25Å; V923-I948 HydrophobicContact CG2-CG2 3.9Å; V923-D1161 PolarHBondContact N-O 2.89Å; V923-M1162 HydrophobicContact CG1-CB 4.24Å; V923-M1162 HydrophobicContact CG1-CG 3.84Å; V923-F1163 PolarHBondContact O-N 2.95Å
924	F	97.7	Very high	82	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.5	168.5	179.3	-94.8	0	0	0	109	P926 L1152 F1163 C1165 P1168 L1236 M1239 M1243	F924-P926 WeakPolarHBondContact O-CD 3.37Å; F924-L1152 HydrophobicContact CD2-CD1 4.12Å; F924-F1163 HydrophobicContact CD2-CB 4.28Å; F924-C1165 HydrophobicContact CE2-CB 3.88Å; F924-C1165 HydrophobicContact CZ-CB 4.1Å; F924-C1165 WeakPolarHBondContact CZ-O 3.48Å; F924-P1168 HydrophobicContact CE1-CG 3.89Å; F924-P1168 HydrophobicContact CZ-CG 3.71Å; F924-L1236 HydrophobicContact CE1-CD2 4.23Å; F924-M1239 HydrophobicContact CD1-CB 3.79Å; F924-M1239 HydrophobicContact CD1-CE 4.45Å; F924-M1239 HydrophobicContact CD1-CG 4.44Å; F924-M1239 HydrophobicContact CD2-CE 3.79Å; F924-M1239 HydrophobicContact CE1-CB 4.19Å; F924-M1239 HydrophobicContact CE1-CE 4.38Å; F924-M1239 HydrophobicContact CE1-CG 4.4Å; F924-M1239 HydrophobicContact CE2-CE 3.7Å; F924-M1239 HydrophobicContact CG-CB 4.2Å; F924-M1239 HydrophobicContact CG-CE 4.17Å; F924-M1239 HydrophobicContact CZ-CE 4.01Å; F924-M1243 HydrophobicContact CB-CG 3.76Å; F924-M1243 HydrophobicContact CB-SD 4.07Å
925	M	96	Very high	81.8	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	108.8	-172.9	-52.8	-172.7	-73	0	0	110.1	V923 I948 L982 Y1142 M1162 F1163 D1164	V923-M925 HydrophobicContact CG1-CG 4.25Å; M925-I948 HydrophobicContact CB-CG2 4.47Å; M925-I948 HydrophobicContact CG-CG2 3.76Å; M925-I948 HydrophobicContact SD-CD1 4.03Å; M925-I948 HydrophobicContact SD-CG1 4.3Å; M925-I948 HydrophobicContact SD-CG2 4.2Å; M925-L982 HydrophobicContact CE-CD1 4.06Å; M925-L982 HydrophobicContact SD-CD1 4.18Å; M925-Y1142 HydrophobicContact CE-CD2 3.71Å; M925-Y1142 HydrophobicContact CE-CE1 4.18Å; M925-Y1142 HydrophobicContact CE-CE2 3.29Å; M925-Y1142 HydrophobicContact CE-CG 4.33Å; M925-M1162 HydrophobicContact CE-CB 4.1Å; M925-M1162 HydrophobicContact CE-CE 4Å; M925-M1162 HydrophobicContact SD-CE 3.57Å; M925-M1162 VanDerWaalsContact SD-CE 3.57Å; M925-F1163 WeakPolarHBondContact CB-O 3.26Å; M925-F1163 WeakPolarHBondContact CG-O 3.47Å; M925-F1163 PolarHBondContact N-O 2.81Å; M925-D1164 HydrophobicContact CE-CB 4.34Å
926	P	92.7	Very high	82.3	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.006	18%	0.184	C	C	.	.			trans	-67.2	137.6	176.5	-20.9	34.6	0	0	0	111.4	F924 G928 M933 L949 L950 L1236	F924-P926 WeakPolarHBondContact O-CD 3.37Å; P926-G928 PolarHBondContact O-N 3.33Å; P926-M933 HydrophobicContact CB-CE 4.12Å; P926-M933 HydrophobicContact CB-SD 4.33Å; P926-L949 HydrophobicContact CB-CD2 3.89Å; P926-L949 HydrophobicContact CG-CD2 4.23Å; P926-L949 WeakPolarHBondContact O-CD2 3.43Å; P926-L950 PolarHBondContact O-N 3.2Å; P926-L1236 HydrophobicContact CB-CD1 4.25Å; P926-L1236 HydrophobicContact CB-CD2 3.89Å; P926-L1236 HydrophobicContact CG-CD2 3.98Å
927	V	85.7	Confident	83	Confident	14 Å²	14	29 Å²	29	9%	0.085	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-71.1	93.4	176.6	-176.3	0	0	0	0	109.9	T929 A932 M933 L950 V1166	V927-T929 PolarHBondContact O-N 3.35Å; V927-T929 VanDerWaalsContact O-N 3.09Å; V927-A932 HydrophobicContact CB-CB 4.02Å; V927-A932 HydrophobicContact CG1-CB 3.84Å; V927-A932 VanDerWaalsContact O-CB 3.23Å; V927-A932 WeakPolarHBondContact O-CB 3.31Å; V927-M933 WeakPolarHBondContact O-CG 3.37Å; V927-L950 CarbonylContact C-O 3.51Å; V927-L950 WeakPolarHBondContact CA-O 3.41Å; V927-L950 HydrophobicContact CG1-CD2 4.07Å; V927-L950 HydrophobicContact CG2-CD2 4.31Å; V927-V1166 HydrophobicContact CB-CG1 4.26Å; V927-V1166 HydrophobicContact CG1-CG1 4.49Å; V927-V1166 HydrophobicContact CG2-CG1 3.88Å
928	G	72.5	Confident	83.1	Confident	5 Å²	5	29.5 Å²	29.5	5%	0.052	18%	0.184	C	C	.	.			trans	-67.8	-5.2	-169.7	0	0	0	0	0	116.1	P926 L950 M975	P926-G928 PolarHBondContact O-N 3.33Å; G928-L950 PolarHBondContact N-O 3.07Å; G928-M975 WeakPolarHBondContact O-CE 3.41Å
929	T	68.3	Low	82.8	Confident	15 Å²	15	30.1 Å²	30.1	9%	0.092	19%	0.193	C	C	.	.	S	Bend	trans	-63.2	141.3	178.5	63	0	0	0	0	111.7	V927 G931 A932 M933 N952	V927-T929 PolarHBondContact O-N 3.35Å; V927-T929 VanDerWaalsContact O-N 3.09Å; T929-G931 PolarHBondContact O-N 3.24Å; T929-G931 VanDerWaalsContact O-N 3.11Å; T929-A932 WeakPolarHBondContact O-CA 3.28Å; T929-A932 WeakPolarHBondContact O-CB 3.49Å; T929-A932 PolarHBondContact O-N 2.99Å; T929-M933 PolarHBondContact O-N 2.75Å; T929-N952 HydrophobicContact CG2-CB 4.01Å
930	Q	59	Low	82.5	Confident	147 Å²	147	32.2 Å²	32.2	69%	0.687	20%	0.203	S	C	*	.	H	α-helix	trans	-54.1	-37.6	-174.2	-70.6	-68.2	-17.3	0	0	113.3	A932	Q930-A932 VanDerWaalsContact C-N 3.27Å; Q930-A932 PolarHBondContact O-N 2.72Å
931	G	56.2	Low	82.2	Confident	61 Å²	61	28.7 Å²	28.7	63%	0.629	19%	0.187	S	C	*	.	H	α-helix	trans	-64.4	-27.2	175.6	0	0	0	0	0	114	T929 K934	T929-G931 PolarHBondContact O-N 3.24Å; T929-G931 VanDerWaalsContact O-N 3.11Å; G931-K934 PolarHBondContact O-NZ 3.17Å
932	A	58.6	Low	81.8	Confident	9 Å²	9	31.5 Å²	31.5	7%	0.074	20%	0.2	C	C	.	.	H	α-helix	trans	-90.7	-35.7	179.3	0	0	0	0	0	113.3	V927 T929 Q930 K934 T1169	V927-A932 HydrophobicContact CB-CB 4.02Å; V927-A932 HydrophobicContact CG1-CB 3.84Å; V927-A932 VanDerWaalsContact O-CB 3.23Å; V927-A932 WeakPolarHBondContact O-CB 3.31Å; T929-A932 WeakPolarHBondContact O-CA 3.28Å; T929-A932 WeakPolarHBondContact O-CB 3.49Å; T929-A932 PolarHBondContact O-N 2.99Å; Q930-A932 VanDerWaalsContact C-N 3.27Å; Q930-A932 PolarHBondContact O-N 2.72Å; A932-K934 WeakPolarHBondContact O-CD 3.42Å; A932-K934 WeakPolarHBondContact O-CE 3.37Å; A932-K934 WeakPolarHBondContact O-CG 3.38Å; A932-K934 PolarHBondContact O-N 3.18Å; A932-T1169 WeakPolarHBondContact O-CB 3.46Å; A932-T1169 PolarHBondContact O-OG1 2.93Å
933	M	66.5	Low	81.4	Confident	7 Å²	7	37.2 Å²	37.2	3%	0.034	23%	0.227	C	C	.	.	H	α-helix	trans	-80.7	-4.4	-172	-63.1	-55.3	-85.2	0	0	116.5	P926 V927 T929 G935 I936 L941 L949 L1236	P926-M933 HydrophobicContact CB-CE 4.12Å; P926-M933 HydrophobicContact CB-SD 4.33Å; V927-M933 WeakPolarHBondContact O-CG 3.37Å; T929-M933 PolarHBondContact O-N 2.75Å; M933-G935 PolarHBondContact O-N 2.65Å; M933-I936 WeakPolarHBondContact O-CB 3.11Å; M933-I936 WeakPolarHBondContact O-CG1 3.47Å; M933-I936 PolarHBondContact O-N 3.21Å; M933-L941 HydrophobicContact CE-CD1 3.53Å; M933-L941 HydrophobicContact CE-CD2 3.39Å; M933-L941 HydrophobicContact CE-CG 4.03Å; M933-L949 HydrophobicContact CE-CD2 4.45Å; M933-L1236 HydrophobicContact CE-CD1 3.83Å; M933-L1236 HydrophobicContact SD-CD1 4.49Å
934	K	72.9	Confident	81	Confident	65 Å²	65	38 Å²	38	28%	0.283	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	25	169	-43.9	-50.2	175.7	-161.8	0	116.2	G931 A932 A1229	G931-K934 PolarHBondContact O-NZ 3.17Å; A932-K934 WeakPolarHBondContact O-CD 3.42Å; A932-K934 WeakPolarHBondContact O-CE 3.37Å; A932-K934 WeakPolarHBondContact O-CG 3.38Å; A932-K934 PolarHBondContact O-N 3.18Å; K934-A1229 WeakPolarHBondContact O-CB 3.38Å
935	G	78.9	Confident	80.7	Confident	55 Å²	55	41.3 Å²	41.3	57%	0.567	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	90	12.6	-178.7	0	0	0	0	0	115.3	M933	M933-G935 PolarHBondContact O-N 2.65Å
936	I	86.1	Confident	80.6	Confident	13 Å²	13	41.3 Å²	41.3	7%	0.067	25%	0.248	C	C	.	.			trans	-68.8	134.7	163.8	-62.2	171.8	0	0	0	108.8	M933 Q940 L941 L1233 L1236	M933-I936 WeakPolarHBondContact O-CB 3.11Å; M933-I936 WeakPolarHBondContact O-CG1 3.47Å; M933-I936 PolarHBondContact O-N 3.21Å; I936-Q940 HydrophobicContact CG2-CB 3.9Å; I936-L941 HydrophobicContact CG2-CD1 4.45Å; I936-L941 HydrophobicContact CG2-CD2 3.94Å; I936-L941 HydrophobicContact CG2-CG 3.87Å; I936-L1233 HydrophobicContact CD1-CB 4.2Å; I936-L1233 HydrophobicContact CD1-CD1 4.33Å; I936-L1233 HydrophobicContact CG1-CB 4.44Å; I936-L1233 HydrophobicContact CG1-CD1 4.41Å; I936-L1233 HydrophobicContact CG2-CD1 3.91Å; I936-L1236 HydrophobicContact CD1-CD1 3.78Å
937	T	87.4	Confident	80.7	Confident	79 Å²	79	43.9 Å²	43.9	49%	0.485	26%	0.258	S	S	.	.			trans	-93.2	163.1	-178.5	72.3	0	0	0	0	112.9	G939 Q940 L941	T937-G939 PolarHBondContact O-N 3.43Å; T937-Q940 WeakPolarHBondContact O-CB 3.31Å; T937-Q940 PolarHBondContact O-N 3.23Å; T937-Q940 VanDerWaalsContact O-N 3.11Å; T937-Q940 WeakPolarHBondContact OG1-CG 3.31Å; T937-Q940 PolarHBondContact OG1-N 3.31Å; T937-Q940 PolarHBondContact OG1-OE1 2.92Å; T937-L941 PolarHBondContact O-N 3.14Å
938	V	86.7	Confident	81.1	Confident	39 Å²	39	43.2 Å²	43.2	24%	0.236	25%	0.254	C	S	.	.	H	α-helix	trans	-52.5	-52.1	173.4	166.9	0	0	0	0	111.4	Q940 L941 E942 W977	V938-Q940 PolarHBondContact O-N 3.1Å; V938-Q940 VanDerWaalsContact O-N 3.15Å; V938-L941 WeakPolarHBondContact O-CA 3.21Å; V938-L941 WeakPolarHBondContact O-CB 3.32Å; V938-L941 PolarHBondContact O-N 2.97Å; V938-E942 HydrophobicContact CG1-CG 4.27Å; V938-E942 WeakPolarHBondContact CG1-OE2 3.33Å; V938-E942 WeakPolarHBondContact O-CG 3.28Å; V938-E942 PolarHBondContact O-N 2.9Å; V938-W977 HydrophobicContact CB-CE3 4.39Å; V938-W977 HydrophobicContact CG1-CE3 3.78Å; V938-W977 HydrophobicContact CG1-CZ3 4.15Å; V938-W977 HydrophobicContact CG2-CE3 4.16Å
939	G	86.9	Confident	82.1	Confident	31 Å²	31	43.2 Å²	43.2	32%	0.32	25%	0.252	S	S	.	.	H	α-helix	trans	-62.3	-24.1	179.6	0	0	0	0	0	114.4	T937 Q943	T937-G939 PolarHBondContact O-N 3.43Å; G939-Q943 WeakPolarHBondContact O-CB 3.42Å; G939-Q943 WeakPolarHBondContact O-CG 3.36Å; G939-Q943 PolarHBondContact O-N 3.25Å
940	Q	90.3	Very high	83.3	Confident	45 Å²	45	42.7 Å²	42.7	21%	0.21	25%	0.249	C	C	.	.	H	α-helix	trans	-75.7	-30.4	171.1	-73.4	177.5	-61.3	0	0	112.6	I936 T937 V938 L944 L1233	I936-Q940 HydrophobicContact CG2-CB 3.9Å; T937-Q940 WeakPolarHBondContact O-CB 3.31Å; T937-Q940 PolarHBondContact O-N 3.23Å; T937-Q940 VanDerWaalsContact O-N 3.11Å; T937-Q940 WeakPolarHBondContact OG1-CG 3.31Å; T937-Q940 PolarHBondContact OG1-N 3.31Å; T937-Q940 PolarHBondContact OG1-OE1 2.92Å; V938-Q940 PolarHBondContact O-N 3.1Å; V938-Q940 VanDerWaalsContact O-N 3.15Å; Q940-L944 WeakPolarHBondContact O-CG 3.45Å; Q940-L944 PolarHBondContact O-N 3.05Å; Q940-L1233 HydrophobicContact CB-CD1 3.92Å
941	L	90.2	Very high	84.6	Confident	6 Å²	6	36 Å²	36	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-76.2	-37	175.3	-64.8	163.2	0	0	0	111.2	M933 I936 T937 V938 Q943 L944 D945 C946 L949 W977 L1236	M933-L941 HydrophobicContact CE-CD1 3.53Å; M933-L941 HydrophobicContact CE-CD2 3.39Å; M933-L941 HydrophobicContact CE-CG 4.03Å; I936-L941 HydrophobicContact CG2-CD1 4.45Å; I936-L941 HydrophobicContact CG2-CD2 3.94Å; I936-L941 HydrophobicContact CG2-CG 3.87Å; T937-L941 PolarHBondContact O-N 3.14Å; V938-L941 WeakPolarHBondContact O-CA 3.21Å; V938-L941 WeakPolarHBondContact O-CB 3.32Å; V938-L941 PolarHBondContact O-N 2.97Å; L941-Q943 VanDerWaalsContact C-N 3.33Å; L941-L944 CarbonylContact O-C 3.5Å; L941-L944 PolarHBondContact O-N 3.36Å; L941-D945 PolarHBondContact O-N 2.86Å; L941-C946 HydrophobicContact CB-CB 4.02Å; L941-C946 HydrophobicContact CD2-CB 4.49Å; L941-C946 VanDerWaalsContact O-CB 3.28Å; L941-C946 WeakPolarHBondContact O-CB 3.44Å; L941-C946 PolarHBondContact O-N 3.01Å; L941-L949 HydrophobicContact CD1-CD1 4.27Å; L941-L949 HydrophobicContact CD1-CD2 4.32Å; L941-W977 HydrophobicContact CB-CH2 4.04Å; L941-W977 HydrophobicContact CB-CZ3 3.82Å; L941-W977 HydrophobicContact CD1-CZ3 4.35Å; L941-L1236 HydrophobicContact CD2-CD1 4.06Å
942	E	89.2	Confident	85.9	Confident	60 Å²	60	33.1 Å²	33.1	28%	0.28	19%	0.189	S	C	.	.	H	α-helix	trans	-63.8	-37.5	170.1	-64	177.6	117.3	0	0	111.4	V938 L944 D945 W977 P978	V938-E942 HydrophobicContact CG1-CG 4.27Å; V938-E942 WeakPolarHBondContact CG1-OE2 3.33Å; V938-E942 WeakPolarHBondContact O-CG 3.28Å; V938-E942 PolarHBondContact O-N 2.9Å; E942-L944 VanDerWaalsContact C-N 3.27Å; E942-L944 PolarHBondContact O-N 3.11Å; E942-D945 WeakPolarHBondContact O-CA 3.31Å; E942-D945 PolarHBondContact O-N 2.94Å; E942-W977 HydrophobicContact CG-CZ3 4.21Å; E942-P978 VanDerWaalsContact OE1-CG 3.27Å; E942-P978 WeakPolarHBondContact OE1-CG 3.35Å
943	Q	88.8	Confident	87	Confident	121 Å²	121	32.9 Å²	32.9	57%	0.565	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-20.5	172	-79.6	170.8	1.2	0	0	114.7	G939 L941 D945	G939-Q943 WeakPolarHBondContact O-CB 3.42Å; G939-Q943 WeakPolarHBondContact O-CG 3.36Å; G939-Q943 PolarHBondContact O-N 3.25Å; L941-Q943 VanDerWaalsContact C-N 3.33Å; Q943-D945 VanDerWaalsContact C-N 3.33Å
944	L	91	Very high	87.5	Confident	24 Å²	24	33.8 Å²	33.8	13%	0.126	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	9.5	170.8	-63.9	-175.2	0	0	0	112.6	Q940 L941 E942 C946 C1204 L1233 L1236 A1237 L1240	Q940-L944 WeakPolarHBondContact O-CG 3.45Å; Q940-L944 PolarHBondContact O-N 3.05Å; L941-L944 CarbonylContact O-C 3.5Å; L941-L944 PolarHBondContact O-N 3.36Å; E942-L944 VanDerWaalsContact C-N 3.27Å; E942-L944 PolarHBondContact O-N 3.11Å; L944-C946 PolarHBondContact O-N 3.37Å; L944-C1204 HydrophobicContact CD2-CB 4.36Å; L944-L1233 HydrophobicContact CD1-CD1 3.6Å; L944-L1233 HydrophobicContact CD1-CG 4.19Å; L944-L1233 HydrophobicContact CG-CD1 4.26Å; L944-L1236 HydrophobicContact CD1-CB 4.14Å; L944-A1237 HydrophobicContact CD1-CB 3.89Å; L944-A1237 HydrophobicContact CD2-CB 3.47Å; L944-A1237 VanDerWaalsContact CD2-CB 3.47Å; L944-A1237 HydrophobicContact CG-CB 4.29Å; L944-L1240 HydrophobicContact CB-CD1 3.96Å
945	D	91.3	Very high	87.7	Confident	70 Å²	70	35 Å²	35	37%	0.374	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	38.2	-170.3	-152.2	39	0	0	0	116.1	L941 E942 Q943 R947 R979	L941-D945 PolarHBondContact O-N 2.86Å; E942-D945 WeakPolarHBondContact O-CA 3.31Å; E942-D945 PolarHBondContact O-N 2.94Å; Q943-D945 VanDerWaalsContact C-N 3.33Å; D945-R947 VanDerWaalsContact CG-NE 3.28Å; D945-R947 VanDerWaalsContact CG-NH2 3.28Å; D945-R947 PolarHBondContact O-N 3.3Å; D945-R947 VanDerWaalsContact O-N 3.1Å; D945-R947 IonicContact OD1-CZ 2.68Å; D945-R947 VanDerWaalsContact OD1-CZ 3.26Å; D945-R947 IonicContact OD1-NE 3.29Å; D945-R947 PolarHBondContact OD1-NE 2.83Å; D945-R947 VanDerWaalsContact OD1-NE 3.11Å; D945-R947 IonicContact OD1-NH2 3.19Å; D945-R947 PolarHBondContact OD1-NH2 3.27Å; D945-R947 IonicContact OD2-CZ 3.96Å; D945-R947 IonicContact OD2-NE 3.97Å; D945-R947 PolarHBondContact OD2-NE 3.39Å; D945-R947 IonicContact OD2-NH2 3.01Å; D945-R947 PolarHBondContact OD2-NH2 2.73Å; D945-R979 IonicContact OD1-CZ 3.81Å; D945-R979 IonicContact OD1-NH1 3.46Å; D945-R979 PolarHBondContact OD1-NH1 2.95Å; D945-R979 IonicContact OD1-NH2 3.45Å; D945-R979 PolarHBondContact OD1-NH2 3.4Å
946	C	93.3	Very high	87.8	Confident	1 Å²	1	33 Å²	33	1%	0.007	17%	0.173	C	C	.	.			trans	-61.4	112.7	172.7	-172.3	0	0	0	0	110.1	L941 L944 I948 W977 R979 L1240	L941-C946 HydrophobicContact CB-CB 4.02Å; L941-C946 HydrophobicContact CD2-CB 4.49Å; L941-C946 VanDerWaalsContact O-CB 3.28Å; L941-C946 WeakPolarHBondContact O-CB 3.44Å; L941-C946 PolarHBondContact O-N 3.01Å; L944-C946 PolarHBondContact O-N 3.37Å; C946-I948 PolarHBondContact SG-O 2.91Å; C946-W977 HydrophobicContact CB-CH2 4.19Å; C946-W977 VanDerWaalsContact O-CH2 3.3Å; C946-W977 WeakPolarHBondContact O-CH2 3.48Å; C946-R979 WeakPolarHBondContact O-CD 3.45Å; C946-R979 PolarHBondContact O-NH1 3.29Å; C946-L1240 HydrophobicContact CB-CD1 3.95Å
947	R	93.9	Very high	87.2	Confident	55 Å²	55	33.1 Å²	33.1	21%	0.208	18%	0.177	C	C	.	.			trans	-88.4	-26	-175.3	-66.2	-69.9	167.3	162.2	0.1	114.6	S916 V919 D945 R979 A980	S916-R947 VanDerWaalsContact C-NH1 3.31Å; S916-R947 PolarHBondContact O-NH1 3.12Å; S916-R947 PolarHBondContact OG-NH1 2.61Å; S916-R947 VanDerWaalsContact OG-NH1 3.11Å; V919-R947 HydrophobicContact CB-CB 4.45Å; V919-R947 HydrophobicContact CG1-CB 4.33Å; V919-R947 HydrophobicContact CG2-CB 4.06Å; D945-R947 VanDerWaalsContact CG-NE 3.28Å; D945-R947 VanDerWaalsContact CG-NH2 3.28Å; D945-R947 PolarHBondContact O-N 3.3Å; D945-R947 VanDerWaalsContact O-N 3.1Å; D945-R947 IonicContact OD1-CZ 2.68Å; D945-R947 VanDerWaalsContact OD1-CZ 3.26Å; D945-R947 IonicContact OD1-NE 3.29Å; D945-R947 PolarHBondContact OD1-NE 2.83Å; D945-R947 VanDerWaalsContact OD1-NE 3.11Å; D945-R947 IonicContact OD1-NH2 3.19Å; D945-R947 PolarHBondContact OD1-NH2 3.27Å; D945-R947 IonicContact OD2-CZ 3.96Å; D945-R947 IonicContact OD2-NE 3.97Å; D945-R947 PolarHBondContact OD2-NE 3.39Å; D945-R947 IonicContact OD2-NH2 3.01Å; D945-R947 PolarHBondContact OD2-NH2 2.73Å; R947-R979 WeakPolarHBondContact O-CB 3.46Å; R947-A980 PolarHBondContact O-N 2.83Å
948	I	95.3	Very high	86.6	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	148.3	-177.7	-175.6	162.9	0	0	0	110.5	L911 V919 V923 M925 C946 A980 L982 I1034	L911-I948 HydrophobicContact CD1-CD1 4.05Å; V919-I948 HydrophobicContact CG1-CB 4.23Å; V919-I948 HydrophobicContact CG1-CG2 3.73Å; V919-I948 HydrophobicContact CG2-CB 4.12Å; V923-I948 HydrophobicContact CG2-CG2 3.9Å; M925-I948 HydrophobicContact CB-CG2 4.47Å; M925-I948 HydrophobicContact CG-CG2 3.76Å; M925-I948 HydrophobicContact SD-CD1 4.03Å; M925-I948 HydrophobicContact SD-CG1 4.3Å; M925-I948 HydrophobicContact SD-CG2 4.2Å; C946-I948 PolarHBondContact SG-O 2.91Å; I948-A980 WeakPolarHBondContact CA-O 3.43Å; I948-A980 HydrophobicContact CB-CB 4.12Å; I948-A980 HydrophobicContact CD1-CB 4.2Å; I948-A980 HydrophobicContact CG1-CB 4.03Å; I948-L982 HydrophobicContact CD1-CB 4.26Å; I948-I1034 HydrophobicContact CD1-CD1 4.2Å
949	L	93.3	Very high	85.9	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.3	174.2	-68.9	175.4	0	0	0	111.2	P926 M933 L941 W977 A980 I981 L982	P926-L949 HydrophobicContact CB-CD2 3.89Å; P926-L949 HydrophobicContact CG-CD2 4.23Å; P926-L949 WeakPolarHBondContact O-CD2 3.43Å; M933-L949 HydrophobicContact CE-CD2 4.45Å; L941-L949 HydrophobicContact CD1-CD1 4.27Å; L941-L949 HydrophobicContact CD1-CD2 4.32Å; L949-W977 HydrophobicContact CD1-CD2 3.57Å; L949-W977 VanDerWaalsContact CD1-CE2 3.48Å; L949-W977 HydrophobicContact CD1-CE3 3.89Å; L949-W977 HydrophobicContact CD1-CG 4.12Å; L949-W977 HydrophobicContact CD1-CH2 4.06Å; L949-W977 HydrophobicContact CD1-CZ2 3.74Å; L949-W977 HydrophobicContact CD1-CZ3 4.14Å; L949-W977 HydrophobicContact CG-CD2 4.35Å; L949-W977 HydrophobicContact CG-CH2 4.17Å; L949-W977 HydrophobicContact CG-CZ2 3.63Å; L949-A980 PolarHBondContact N-O 3.41Å; L949-I981 WeakPolarHBondContact O-CA 3.46Å; L949-L982 PolarHBondContact O-N 2.91Å
950	L	92.6	Very high	85.7	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	118	168.4	-172.9	149.8	0	0	0	111.1	P926 V927 G928 L982 Y1142 D1164	P926-L950 PolarHBondContact O-N 3.2Å; V927-L950 CarbonylContact C-O 3.51Å; V927-L950 WeakPolarHBondContact CA-O 3.41Å; V927-L950 HydrophobicContact CG1-CD2 4.07Å; V927-L950 HydrophobicContact CG2-CD2 4.31Å; G928-L950 PolarHBondContact N-O 3.07Å; L950-L982 CarbonylContact C-O 3.59Å; L950-L982 WeakPolarHBondContact CA-O 3.48Å; L950-L982 HydrophobicContact CD1-CD2 3.97Å; L950-L982 HydrophobicContact CG-CD2 4.16Å; L950-Y1142 WeakPolarHBondContact CD1-OH 3.43Å; L950-D1164 HydrophobicContact CD1-CB 3.66Å
951	G	87.5	Confident	85.3	Confident	5 Å²	5	35.5 Å²	35.5	5%	0.052	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	136.9	162.9	0	0	0	0	0	110.7	L982 T983 D984	G951-L982 PolarHBondContact N-O 2.93Å; G951-T983 WeakPolarHBondContact O-CA 3.42Å; G951-D984 PolarHBondContact O-N 3.32Å
952	N	83.8	Confident	85	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.011	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-97.5	119.2	171.2	162.7	-100.8	0	0	0	109.6	T929 Y954 H955 L956 D984 Q989	T929-N952 HydrophobicContact CG2-CB 4.01Å; N952-Y954 VanDerWaalsContact C-N 3.35Å; N952-Y954 PolarHBondContact O-N 3.17Å; N952-H955 PolarHBondContact O-N 3.3Å; N952-H955 VanDerWaalsContact OD1-CB 3.26Å; N952-H955 WeakPolarHBondContact OD1-CB 3.16Å; N952-H955 PolarHBondContact OD1-CD2 3.4Å; N952-H955 VanDerWaalsContact OD1-CD2 3.29Å; N952-H955 PolarHBondContact OD1-N 3.32Å; N952-L956 WeakPolarHBondContact O-CB 3.31Å; N952-L956 VanDerWaalsContact O-CG 3.3Å; N952-L956 WeakPolarHBondContact O-CG 3.07Å; N952-L956 PolarHBondContact O-N 3.24Å; N952-L956 VanDerWaalsContact O-N 3.11Å; N952-D984 WeakPolarHBondContact CA-OD1 3.35Å; N952-D984 WeakPolarHBondContact CB-OD2 3.47Å; N952-D984 VanDerWaalsContact ND2-CG 3.34Å; N952-D984 PolarHBondContact ND2-OD1 3.05Å; N952-D984 VanDerWaalsContact ND2-OD1 3.12Å; N952-D984 PolarHBondContact ND2-OD2 3.11Å; N952-Q989 VanDerWaalsContact ND2-CD 3.3Å; N952-Q989 PolarHBondContact ND2-NE2 2.91Å; N952-Q989 PolarHBondContact OD1-OE1 2.86Å
953	T	80.9	Confident	84.8	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.018	18%	0.183	C	C	.	.	H	α-helix	trans	-69.1	-33.1	-172.1	-65.5	0	0	0	0	111.8	G957 D984 F1026 Q1027 L1030	T953-G957 WeakPolarHBondContact O-CA 3.3Å; T953-G957 PolarHBondContact O-N 3.47Å; T953-D984 WeakPolarHBondContact CB-O 3.38Å; T953-D984 PolarHBondContact N-OD1 3.13Å; T953-D984 PolarHBondContact OG1-O 3.12Å; T953-F1026 HydrophobicContact CG2-CB 4.39Å; T953-Q1027 HydrophobicContact CG2-CG 4.12Å; T953-L1030 HydrophobicContact CG2-CD1 4.39Å
954	Y	76.9	Confident	84.8	Confident	27 Å²	27	35.1 Å²	35.1	11%	0.106	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-54.7	175.5	175.2	-102.4	0	0	0	111.7	N952 H958 Q989 M990 F1006	N952-Y954 VanDerWaalsContact C-N 3.35Å; N952-Y954 PolarHBondContact O-N 3.17Å; Y954-H958 AromaticContact CD2-CE1 3.48Å; Y954-H958 VanDerWaalsContact CD2-CE1 3.48Å; Y954-H958 WeakPolarHBondContact CD2-CE1 3.39Å; Y954-H958 AromaticContact CD2-ND1 3.77Å; Y954-H958 AromaticContact CE2-CE1 3.09Å; Y954-H958 WeakPolarHBondContact CE2-CE1 3.47Å; Y954-H958 AromaticContact CE2-ND1 3.7Å; Y954-H958 AromaticContact CE2-NE2 3.68Å; Y954-H958 AromaticContact CZ-CE1 3.69Å; Y954-H958 AromaticContact CZ-NE2 3.95Å; Y954-H958 PolarHBondContact O-N 2.93Å; Y954-H958 VanDerWaalsContact O-N 3.13Å; Y954-H958 PolarHBondContact O-ND1 2.79Å; Y954-Q989 HydrophobicContact CD1-CB 4.1Å; Y954-Q989 VanDerWaalsContact CD1-OE1 3.24Å; Y954-Q989 HydrophobicContact CG-CB 4.16Å; Y954-M990 HydrophobicContact CD2-CG 3.33Å; Y954-M990 HydrophobicContact CD2-SD 3.84Å; Y954-M990 HydrophobicContact CE2-CG 3.59Å; Y954-M990 HydrophobicContact CE2-SD 4.45Å; Y954-M990 HydrophobicContact CG-CG 4.32Å; Y954-F1006 HydrophobicContact CE2-CE2 4.16Å
955	H	77.8	Confident	84.6	Confident	89 Å²	89	34 Å²	34	41%	0.412	17%	0.171	S	C	.	.	H	α-helix	trans	-62.7	-45.3	178.5	-70.2	-19.6	0	0	0	112.3	N952 H958 R959 Q989	N952-H955 PolarHBondContact O-N 3.3Å; N952-H955 VanDerWaalsContact OD1-CB 3.26Å; N952-H955 WeakPolarHBondContact OD1-CB 3.16Å; N952-H955 PolarHBondContact OD1-CD2 3.4Å; N952-H955 VanDerWaalsContact OD1-CD2 3.29Å; N952-H955 PolarHBondContact OD1-N 3.32Å; H955-H958 PolarHBondContact O-N 2.91Å; H955-R959 PolarHBondContact O-N 2.89Å; H955-Q989 PolarHBondContact CE1-OE1 3.08Å
956	L	80.1	Confident	84.3	Confident	14 Å²	14	36.3 Å²	36.3	7%	0.073	18%	0.175	C	C	.	.	H	α-helix	trans	-67.5	-37.9	-178.3	-68.8	169.9	0	0	0	112.5	N952 H958 R959 G961 L965 L971 L1030	N952-L956 WeakPolarHBondContact O-CB 3.31Å; N952-L956 VanDerWaalsContact O-CG 3.3Å; N952-L956 WeakPolarHBondContact O-CG 3.07Å; N952-L956 PolarHBondContact O-N 3.24Å; N952-L956 VanDerWaalsContact O-N 3.11Å; L956-H958 VanDerWaalsContact C-N 3.32Å; L956-H958 PolarHBondContact O-N 2.93Å; L956-R959 CarbonylContact O-C 3.59Å; L956-G961 WeakPolarHBondContact O-CA 3.37Å; L956-G961 PolarHBondContact O-N 3.45Å; L956-L965 HydrophobicContact CB-CD1 4.36Å; L956-L971 HydrophobicContact CD1-CD1 3.97Å; L956-L971 HydrophobicContact CD1-CD2 3.61Å; L956-L971 HydrophobicContact CD1-CG 4.47Å; L956-L971 HydrophobicContact CD2-CD1 3.79Å; L956-L971 HydrophobicContact CG-CD1 4.5Å; L956-L1030 HydrophobicContact CB-CD2 4.09Å; L956-L1030 HydrophobicContact CD1-CD1 4.24Å; L956-L1030 HydrophobicContact CD1-CD2 4.38Å
957	G	74.5	Confident	84.2	Confident	16 Å²	16	43.8 Å²	43.8	17%	0.165	21%	0.207	C	C	.	.	H	α-helix	trans	-67.8	-27.2	175.3	0	0	0	0	0	113.7	T953 G961 P962	T953-G957 WeakPolarHBondContact O-CA 3.3Å; T953-G957 PolarHBondContact O-N 3.47Å; G957-G961 WeakPolarHBondContact O-CA 3.45Å; G957-P962 WeakPolarHBondContact O-CD 3.31Å
958	H	73.3	Confident	83.9	Confident	55 Å²	55	42.9 Å²	42.9	26%	0.255	21%	0.211	S	C	.	.	H	α-helix	trans	-84.2	-44.5	171.1	-74.4	69	0	0	0	112.6	Y954 H955 L956 F1006	Y954-H958 AromaticContact CD2-CE1 3.48Å; Y954-H958 VanDerWaalsContact CD2-CE1 3.48Å; Y954-H958 WeakPolarHBondContact CD2-CE1 3.39Å; Y954-H958 AromaticContact CD2-ND1 3.77Å; Y954-H958 AromaticContact CE2-CE1 3.09Å; Y954-H958 WeakPolarHBondContact CE2-CE1 3.47Å; Y954-H958 AromaticContact CE2-ND1 3.7Å; Y954-H958 AromaticContact CE2-NE2 3.68Å; Y954-H958 AromaticContact CZ-CE1 3.69Å; Y954-H958 AromaticContact CZ-NE2 3.95Å; Y954-H958 PolarHBondContact O-N 2.93Å; Y954-H958 VanDerWaalsContact O-N 3.13Å; Y954-H958 PolarHBondContact O-ND1 2.79Å; H955-H958 PolarHBondContact O-N 2.91Å; L956-H958 VanDerWaalsContact C-N 3.32Å; L956-H958 PolarHBondContact O-N 2.93Å; H958-F1006 AromaticContact CE1-CE2 3.75Å; H958-F1006 AromaticContact CE1-CZ 3.78Å; H958-F1006 AromaticContact NE2-CE2 3.63Å
959	R	73.8	Confident	83.4	Confident	137 Å²	137	44.5 Å²	44.5	52%	0.517	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-147.4	119.8	-179.7	-64.9	-170.8	-176.1	-160.9	-1.3	111	H955 L956	H955-R959 PolarHBondContact O-N 2.89Å; L956-R959 CarbonylContact O-C 3.59Å
960	P	82.3	Confident	83.2	Confident	41 Å²	41	44.9 Å²	44.9	27%	0.266	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	cis	-80.8	-5.7	7.9	37	-41.7	0	0	0	114.6	V964 L965 F974	P960-V964 HydrophobicContact CB-CB 4Å; P960-V964 HydrophobicContact CB-CG1 3.87Å; P960-V964 HydrophobicContact CG-CB 4.45Å; P960-V964 HydrophobicContact CG-CG1 4.41Å; P960-V964 VanDerWaalsContact O-CG2 3.26Å; P960-V964 WeakPolarHBondContact O-CG2 3.38Å; P960-L965 HydrophobicContact CG-CD1 4.04Å; P960-L965 HydrophobicContact CG-CD2 3.6Å; P960-L965 HydrophobicContact CG-CG 3.68Å; P960-F974 HydrophobicContact CB-CE2 4.3Å; P960-F974 HydrophobicContact CB-CZ 4Å; P960-F974 HydrophobicContact CG-CD1 4.43Å; P960-F974 HydrophobicContact CG-CE1 3.84Å; P960-F974 HydrophobicContact CG-CE2 3.98Å; P960-F974 HydrophobicContact CG-CZ 3.6Å
961	G	81.2	Confident	83	Confident	10 Å²	10	44.7 Å²	44.7	10%	0.103	23%	0.232	C	C	.	.			trans	94.9	151.5	-177	0	0	0	0	0	113.5	L956 G957 E963 V964 L965	L956-G961 WeakPolarHBondContact O-CA 3.37Å; L956-G961 PolarHBondContact O-N 3.45Å; G957-G961 WeakPolarHBondContact O-CA 3.45Å; G961-E963 VanDerWaalsContact C-N 3.3Å; G961-E963 PolarHBondContact O-N 3.05Å; G961-V964 PolarHBondContact O-N 3.34Å; G961-L965 WeakPolarHBondContact O-CG 3.4Å; G961-L965 PolarHBondContact O-N 3.04Å; G961-L965 VanDerWaalsContact O-N 3.17Å
962	P	83.4	Confident	83.1	Confident	22 Å²	22	45.1 Å²	45.1	14%	0.143	23%	0.232	C	C	.	.	H	α-helix	trans	-62.6	-36.4	-170.6	26	-34.8	0	0	0	112.1	G957 V964 L965 R966 F1026 A1029	G957-P962 WeakPolarHBondContact O-CD 3.31Å; P962-V964 PolarHBondContact O-N 2.81Å; P962-L965 PolarHBondContact O-N 3.46Å; P962-R966 WeakPolarHBondContact O-CB 3.08Å; P962-R966 PolarHBondContact O-N 2.87Å; P962-F1026 HydrophobicContact CB-CD1 4Å; P962-F1026 HydrophobicContact CG-CD1 3.81Å; P962-F1026 HydrophobicContact CG-CE1 3.87Å; P962-A1029 HydrophobicContact CB-CB 4.03Å
963	E	86.4	Confident	83.4	Confident	84 Å²	84	51.9 Å²	51.9	39%	0.393	26%	0.262	S	S	.	.	H	α-helix	trans	-71.1	-30.9	-179.4	-179.6	53.2	-161.5	0	0	113.3	G961 R966 K967	G961-E963 VanDerWaalsContact C-N 3.3Å; G961-E963 PolarHBondContact O-N 3.05Å; E963-R966 IonicContact OE2-CZ 3.75Å; E963-R966 IonicContact OE2-NE 2.95Å; E963-R966 PolarHBondContact OE2-NE 3.23Å; E963-K967 WeakPolarHBondContact O-CB 3.15Å; E963-K967 WeakPolarHBondContact O-CG 3.46Å; E963-K967 PolarHBondContact O-N 3.4Å; E963-K967 VanDerWaalsContact O-N 3.08Å; E963-K967 VanDerWaalsContact OE1-CE 3.22Å; E963-K967 WeakPolarHBondContact OE1-CE 3.46Å; E963-K967 IonicContact OE1-NZ 3.57Å; E963-K967 PolarHBondContact OE1-NZ 2.93Å
964	V	88	Confident	83.8	Confident	73 Å²	73	56.4 Å²	56.4	44%	0.442	28%	0.281	S	S	.	.	H	α-helix	trans	-72	-34.8	172.3	-178.2	0	0	0	0	110.5	P960 G961 P962 K967 A968	P960-V964 HydrophobicContact CB-CB 4Å; P960-V964 HydrophobicContact CB-CG1 3.87Å; P960-V964 HydrophobicContact CG-CB 4.45Å; P960-V964 HydrophobicContact CG-CG1 4.41Å; P960-V964 VanDerWaalsContact O-CG2 3.26Å; P960-V964 WeakPolarHBondContact O-CG2 3.38Å; G961-V964 PolarHBondContact O-N 3.34Å; P962-V964 PolarHBondContact O-N 2.81Å; V964-K967 PolarHBondContact O-N 3.46Å; V964-A968 WeakPolarHBondContact O-CB 3.41Å; V964-A968 PolarHBondContact O-N 3.25Å
965	L	86.3	Confident	84.2	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-72.1	-39.3	177.1	-65	167.2	0	0	0	111.7	L956 P960 G961 P962 K967 A968 G969 G970 L971 F974 L1030	L956-L965 HydrophobicContact CB-CD1 4.36Å; P960-L965 HydrophobicContact CG-CD1 4.04Å; P960-L965 HydrophobicContact CG-CD2 3.6Å; P960-L965 HydrophobicContact CG-CG 3.68Å; G961-L965 WeakPolarHBondContact O-CG 3.4Å; G961-L965 PolarHBondContact O-N 3.04Å; G961-L965 VanDerWaalsContact O-N 3.17Å; P962-L965 PolarHBondContact O-N 3.46Å; L965-K967 PolarHBondContact O-N 3.5Å; L965-A968 CarbonylContact O-C 3.55Å; L965-A968 PolarHBondContact O-N 2.84Å; L965-G969 PolarHBondContact O-N 3.41Å; L965-G970 PolarHBondContact O-N 3.49Å; L965-L971 HydrophobicContact CD1-CD1 4.45Å; L965-L971 HydrophobicContact CD2-CD1 4.07Å; L965-F974 HydrophobicContact CD2-CB 3.61Å; L965-F974 HydrophobicContact CD2-CD1 3.57Å; L965-F974 HydrophobicContact CD2-CD2 3.97Å; L965-F974 HydrophobicContact CD2-CE1 4.24Å; L965-F974 HydrophobicContact CD2-CG 3.42Å; L965-F974 VanDerWaalsContact CD2-CG 3.42Å; L965-L1030 HydrophobicContact CD1-CD2 3.26Å; L965-L1030 HydrophobicContact CG-CD2 4.46Å
966	R	86.8	Confident	84.7	Confident	120 Å²	120	56.4 Å²	56.4	45%	0.453	29%	0.292	S	S	.	.	H	α-helix	trans	-55.9	-49.3	169.1	-158.3	-166.6	-49	-82.5	-0.7	110.8	P962 E963 A968 G969 N1025 A1029	P962-R966 WeakPolarHBondContact O-CB 3.08Å; P962-R966 PolarHBondContact O-N 2.87Å; E963-R966 IonicContact OE2-CZ 3.75Å; E963-R966 IonicContact OE2-NE 2.95Å; E963-R966 PolarHBondContact OE2-NE 3.23Å; R966-A968 VanDerWaalsContact C-N 3.34Å; R966-A968 PolarHBondContact O-N 3.06Å; R966-G969 WeakPolarHBondContact O-CA 3.41Å; R966-G969 PolarHBondContact O-N 3.37Å; R966-N1025 PolarHBondContact NH2-OD1 3.29Å; R966-A1029 HydrophobicContact CB-CB 4.42Å
967	K	89.6	Confident	85.2	Confident	158 Å²	158	55.9 Å²	55.9	69%	0.687	29%	0.289	S	S	*	.	H	α-helix	trans	-67.2	-27.2	176.3	-79.8	168.6	165.3	133.4	0	114.4	E963 V964 L965 G969	E963-K967 WeakPolarHBondContact O-CB 3.15Å; E963-K967 WeakPolarHBondContact O-CG 3.46Å; E963-K967 PolarHBondContact O-N 3.4Å; E963-K967 VanDerWaalsContact O-N 3.08Å; E963-K967 VanDerWaalsContact OE1-CE 3.22Å; E963-K967 WeakPolarHBondContact OE1-CE 3.46Å; E963-K967 IonicContact OE1-NZ 3.57Å; E963-K967 PolarHBondContact OE1-NZ 2.93Å; V964-K967 PolarHBondContact O-N 3.46Å; L965-K967 PolarHBondContact O-N 3.5Å; K967-G969 VanDerWaalsContact C-N 3.25Å
968	A	88	Confident	85.8	Confident	36 Å²	36	57.9 Å²	57.9	30%	0.298	30%	0.298	S	S	.	.	H	α-helix	trans	-78	-9.1	169.9	0	0	0	0	0	113.2	V964 L965 R966 K973 F974	V964-A968 WeakPolarHBondContact O-CB 3.41Å; V964-A968 PolarHBondContact O-N 3.25Å; L965-A968 CarbonylContact O-C 3.55Å; L965-A968 PolarHBondContact O-N 2.84Å; R966-A968 VanDerWaalsContact C-N 3.34Å; R966-A968 PolarHBondContact O-N 3.06Å; A968-K973 WeakPolarHBondContact O-CB 3.1Å; A968-F974 HydrophobicContact CB-CB 3.97Å; A968-F974 HydrophobicContact CB-CD2 3.98Å; A968-F974 HydrophobicContact CB-CG 4.45Å
969	G	86.2	Confident	86.6	Confident	33 Å²	33	56.3 Å²	56.3	34%	0.34	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	33.4	-179	0	0	0	0	0	114.2	L965 R966 K967 K973	L965-G969 PolarHBondContact O-N 3.41Å; R966-G969 WeakPolarHBondContact O-CA 3.41Å; R966-G969 PolarHBondContact O-N 3.37Å; K967-G969 VanDerWaalsContact C-N 3.25Å; G969-K973 VanDerWaalsContact O-CD 3.26Å; G969-K973 WeakPolarHBondContact O-CD 3.19Å; G969-K973 WeakPolarHBondContact O-CE 3.42Å; G969-K973 PolarHBondContact O-NZ 2.95Å
970	G	87.8	Confident	87.6	Confident	13 Å²	13	49.8 Å²	49.8	13%	0.134	27%	0.266	C	S	.	.	S	Bend	trans	104.3	161.4	177.4	0	0	0	0	0	114.1	L965 H972 K973 F974	L965-G970 PolarHBondContact O-N 3.49Å; G970-H972 VanDerWaalsContact C-N 3.34Å; G970-H972 PolarHBondContact O-N 3.18Å; G970-K973 PolarHBondContact O-N 3.06Å; G970-F974 PolarHBondContact O-N 3.22Å
971	L	88.6	Confident	88.1	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-38.5	-176.9	-174.7	62.8	0	0	0	112.4	L956 L965 K973 F974 M975 I981 T983 L1030	L956-L971 HydrophobicContact CD1-CD1 3.97Å; L956-L971 HydrophobicContact CD1-CD2 3.61Å; L956-L971 HydrophobicContact CD1-CG 4.47Å; L956-L971 HydrophobicContact CD2-CD1 3.79Å; L956-L971 HydrophobicContact CG-CD1 4.5Å; L965-L971 HydrophobicContact CD1-CD1 4.45Å; L965-L971 HydrophobicContact CD2-CD1 4.07Å; L971-K973 VanDerWaalsContact C-N 3.35Å; L971-K973 PolarHBondContact O-N 3.31Å; L971-F974 PolarHBondContact O-N 2.92Å; L971-M975 HydrophobicContact CD1-CG 4.01Å; L971-M975 HydrophobicContact CD1-SD 3.68Å; L971-M975 HydrophobicContact CD2-SD 4.47Å; L971-M975 HydrophobicContact CG-CG 4.46Å; L971-M975 HydrophobicContact CG-SD 3.9Å; L971-M975 WeakPolarHBondContact O-CB 3.33Å; L971-M975 PolarHBondContact O-N 2.82Å; L971-I981 HydrophobicContact CB-CD1 4.33Å; L971-I981 HydrophobicContact CD2-CD1 3.89Å; L971-I981 HydrophobicContact CD2-CG2 4.09Å; L971-I981 HydrophobicContact CG-CD1 3.91Å; L971-T983 HydrophobicContact CD2-CG2 4.34Å; L971-L1030 HydrophobicContact CB-CB 4.33Å; L971-L1030 WeakPolarHBondContact CB-O 3.14Å; L971-L1030 HydrophobicContact CD2-CB 4.42Å; L971-L1030 PolarHBondContact N-O 3.19Å
972	H	90.2	Very high	88.7	Confident	14 Å²	14	47.5 Å²	47.5	7%	0.065	25%	0.249	C	C	.	.	H	α-helix	trans	-54.7	-48.1	173.9	-65.3	-99.1	0	0	0	111.7	H913 G970 S976 W977 R979 I981 G1031 D1033	H913-H972 AromaticContact CD2-ND1 3.7Å; H913-H972 AromaticContact CE1-CD2 3.71Å; H913-H972 AromaticContact CE1-CE1 3.66Å; H913-H972 AromaticContact CE1-CG 3.9Å; H913-H972 AromaticContact CE1-ND1 3.87Å; H913-H972 AromaticContact CE1-NE2 3.62Å; H913-H972 AromaticContact CG-CE1 3.51Å; H913-H972 AromaticContact CG-ND1 3.61Å; H913-H972 AromaticContact ND1-CE1 3.27Å; H913-H972 PolarHBondContact ND1-CE1 3.34Å; H913-H972 VanDerWaalsContact ND1-CE1 3.27Å; H913-H972 AromaticContact ND1-ND1 3.73Å; H913-H972 AromaticContact ND1-NE2 3.57Å; H913-H972 AromaticContact NE2-CG 3.83Å; H913-H972 AromaticContact NE2-ND1 3.88Å; G970-H972 VanDerWaalsContact C-N 3.34Å; G970-H972 PolarHBondContact O-N 3.18Å; H972-S976 CarbonylContact O-C 3.59Å; H972-S976 VanDerWaalsContact O-CA 3.26Å; H972-S976 WeakPolarHBondContact O-CA 3.15Å; H972-S976 PolarHBondContact O-N 2.99Å; H972-W977 WeakPolarHBondContact CB-O 3.47Å; H972-W977 PolarHBondContact O-N 3.25Å; H972-R979 PolarHBondContact CE1-O 2.84Å; H972-R979 PolarHBondContact ND1-O 2.97Å; H972-I981 VanDerWaalsContact CE1-CG1 3.49Å; H972-I981 WeakPolarHBondContact CE1-CG1 3.49Å; H972-G1031 PolarHBondContact CD2-O 2.99Å; H972-G1031 VanDerWaalsContact CD2-O 3.24Å; H972-G1031 PolarHBondContact NE2-O 2.87Å; H972-D1033 IonicContact CE1-OD2 2.75Å; H972-D1033 PolarHBondContact CE1-OD2 2.78Å; H972-D1033 IonicContact NE2-OD2 3.96Å; H972-D1033 PolarHBondContact NE2-OD2 2.82Å
973	K	89.1	Confident	89.1	Confident	145 Å²	145	46.4 Å²	46.4	63%	0.63	24%	0.242	S	C	*	.	H	α-helix	trans	-69.8	-42.9	177.7	-62.8	-171.1	-165.8	124.5	0	111.9	A968 G969 G970 L971 M975 S976	A968-K973 WeakPolarHBondContact O-CB 3.1Å; G969-K973 VanDerWaalsContact O-CD 3.26Å; G969-K973 WeakPolarHBondContact O-CD 3.19Å; G969-K973 WeakPolarHBondContact O-CE 3.42Å; G969-K973 PolarHBondContact O-NZ 2.95Å; G970-K973 PolarHBondContact O-N 3.06Å; L971-K973 VanDerWaalsContact C-N 3.35Å; L971-K973 PolarHBondContact O-N 3.31Å; K973-M975 PolarHBondContact O-N 2.87Å; K973-S976 PolarHBondContact O-N 2.98Å; K973-S976 VanDerWaalsContact O-N 3.15Å
974	F	89.3	Confident	89	Confident	97 Å²	97	43.7 Å²	43.7	43%	0.425	23%	0.23	S	C	.	.	H	α-helix	trans	-60.1	-44.1	178.3	-178.9	-99.9	0	0	0	112.8	P960 L965 A968 G970 L971 S976	P960-F974 HydrophobicContact CB-CE2 4.3Å; P960-F974 HydrophobicContact CB-CZ 4Å; P960-F974 HydrophobicContact CG-CD1 4.43Å; P960-F974 HydrophobicContact CG-CE1 3.84Å; P960-F974 HydrophobicContact CG-CE2 3.98Å; P960-F974 HydrophobicContact CG-CZ 3.6Å; L965-F974 HydrophobicContact CD2-CB 3.61Å; L965-F974 HydrophobicContact CD2-CD1 3.57Å; L965-F974 HydrophobicContact CD2-CD2 3.97Å; L965-F974 HydrophobicContact CD2-CE1 4.24Å; L965-F974 HydrophobicContact CD2-CG 3.42Å; L965-F974 VanDerWaalsContact CD2-CG 3.42Å; A968-F974 HydrophobicContact CB-CB 3.97Å; A968-F974 HydrophobicContact CB-CD2 3.98Å; A968-F974 HydrophobicContact CB-CG 4.45Å; G970-F974 PolarHBondContact O-N 3.22Å; L971-F974 PolarHBondContact O-N 2.92Å; F974-S976 VanDerWaalsContact C-N 3.34Å
975	M	86	Confident	88.5	Confident	41 Å²	41	40.4 Å²	40.4	20%	0.202	21%	0.21	C	C	.	.	H	α-helix	trans	-82.6	-10.1	176.6	-68.1	-179.4	58	0	0	113.4	G928 L971 K973 W977	G928-M975 WeakPolarHBondContact O-CE 3.41Å; L971-M975 HydrophobicContact CD1-CG 4.01Å; L971-M975 HydrophobicContact CD1-SD 3.68Å; L971-M975 HydrophobicContact CD2-SD 4.47Å; L971-M975 HydrophobicContact CG-CG 4.46Å; L971-M975 HydrophobicContact CG-SD 3.9Å; L971-M975 WeakPolarHBondContact O-CB 3.33Å; L971-M975 PolarHBondContact O-N 2.82Å; K973-M975 PolarHBondContact O-N 2.87Å; M975-W977 HydrophobicContact CB-CB 4.15Å; M975-W977 PolarHBondContact O-N 3.03Å
976	S	88.3	Confident	87.7	Confident	76 Å²	76	40.5 Å²	40.5	53%	0.531	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	38.5	-165.5	-63.5	0	0	0	0	113	H972 K973 F974	H972-S976 CarbonylContact O-C 3.59Å; H972-S976 VanDerWaalsContact O-CA 3.26Å; H972-S976 WeakPolarHBondContact O-CA 3.15Å; H972-S976 PolarHBondContact O-N 2.99Å; K973-S976 PolarHBondContact O-N 2.98Å; K973-S976 VanDerWaalsContact O-N 3.15Å; F974-S976 VanDerWaalsContact C-N 3.34Å
977	W	89.6	Confident	86.8	Confident	3 Å²	3	34.8 Å²	34.8	1%	0.011	19%	0.19	C	C	.	.			trans	-97.1	114	178.1	-179.6	-110	0	0	0	109.9	V938 L941 E942 C946 L949 H972 M975 R979 A980 I981	V938-W977 HydrophobicContact CB-CE3 4.39Å; V938-W977 HydrophobicContact CG1-CE3 3.78Å; V938-W977 HydrophobicContact CG1-CZ3 4.15Å; V938-W977 HydrophobicContact CG2-CE3 4.16Å; L941-W977 HydrophobicContact CB-CH2 4.04Å; L941-W977 HydrophobicContact CB-CZ3 3.82Å; L941-W977 HydrophobicContact CD1-CZ3 4.35Å; E942-W977 HydrophobicContact CG-CZ3 4.21Å; C946-W977 HydrophobicContact CB-CH2 4.19Å; C946-W977 VanDerWaalsContact O-CH2 3.3Å; C946-W977 WeakPolarHBondContact O-CH2 3.48Å; L949-W977 HydrophobicContact CD1-CD2 3.57Å; L949-W977 VanDerWaalsContact CD1-CE2 3.48Å; L949-W977 HydrophobicContact CD1-CE3 3.89Å; L949-W977 HydrophobicContact CD1-CG 4.12Å; L949-W977 HydrophobicContact CD1-CH2 4.06Å; L949-W977 HydrophobicContact CD1-CZ2 3.74Å; L949-W977 HydrophobicContact CD1-CZ3 4.14Å; L949-W977 HydrophobicContact CG-CD2 4.35Å; L949-W977 HydrophobicContact CG-CH2 4.17Å; L949-W977 HydrophobicContact CG-CZ2 3.63Å; H972-W977 WeakPolarHBondContact CB-O 3.47Å; H972-W977 PolarHBondContact O-N 3.25Å; M975-W977 HydrophobicContact CB-CB 4.15Å; M975-W977 PolarHBondContact O-N 3.03Å; W977-R979 HydrophobicContact CH2-CB 4.47Å; W977-R979 HydrophobicContact CZ2-CB 3.72Å; W977-R979 HydrophobicContact CZ2-CG 4.28Å; W977-R979 VanDerWaalsContact NE1-C 3.35Å; W977-R979 PolarHBondContact NE1-O 2.9Å; W977-R979 VanDerWaalsContact NE1-O 3.12Å; W977-A980 PolarHBondContact NE1-O 3.37Å; W977-I981 VanDerWaalsContact CD1-CG1 3.47Å
978	P	87.4	Confident	85.7	Confident	57 Å²	57	33.6 Å²	33.6	37%	0.37	19%	0.185	S	C	.	.			trans	-90.2	-2.1	-172.8	34.2	-33.3	0	0	0	114.1	P915 E942	P915-P978 WeakPolarHBondContact CD-O 3.45Å; P915-P978 WeakPolarHBondContact CG-O 3.47Å; E942-P978 VanDerWaalsContact OE1-CG 3.27Å; E942-P978 WeakPolarHBondContact OE1-CG 3.35Å
979	R	91.7	Very high	84.5	Confident	23 Å²	23	34.4 Å²	34.4	9%	0.087	18%	0.182	C	C	.	.	S	Bend	trans	-109.7	-174.6	-176.2	-50.9	174.1	170.2	-148.4	-10.8	110.6	H913 D945 C946 R947 H972 W977	H913-R979 CarbonylContact O-C 3.52Å; H913-R979 VanDerWaalsContact O-C 3.31Å; H913-R979 VanDerWaalsContact O-CA 3.27Å; H913-R979 WeakPolarHBondContact O-CA 3.29Å; D945-R979 IonicContact OD1-CZ 3.81Å; D945-R979 IonicContact OD1-NH1 3.46Å; D945-R979 PolarHBondContact OD1-NH1 2.95Å; D945-R979 IonicContact OD1-NH2 3.45Å; D945-R979 PolarHBondContact OD1-NH2 3.4Å; C946-R979 WeakPolarHBondContact O-CD 3.45Å; C946-R979 PolarHBondContact O-NH1 3.29Å; R947-R979 WeakPolarHBondContact O-CB 3.46Å; H972-R979 PolarHBondContact CE1-O 2.84Å; H972-R979 PolarHBondContact ND1-O 2.97Å; W977-R979 HydrophobicContact CH2-CB 4.47Å; W977-R979 HydrophobicContact CZ2-CB 3.72Å; W977-R979 HydrophobicContact CZ2-CG 4.28Å; W977-R979 VanDerWaalsContact NE1-C 3.35Å; W977-R979 PolarHBondContact NE1-O 2.9Å; W977-R979 VanDerWaalsContact NE1-O 3.12Å
980	A	93.5	Very high	83.3	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	152.9	-172.2	0	0	0	0	0	114.7	L911 H913 V919 R947 I948 L949 W977 D1033	L911-A980 HydrophobicContact CB-CB 4.33Å; L911-A980 HydrophobicContact CD1-CB 3.69Å; H913-A980 PolarHBondContact O-N 3.25Å; H913-A980 VanDerWaalsContact O-N 3.12Å; V919-A980 HydrophobicContact CG2-CB 4.09Å; R947-A980 PolarHBondContact O-N 2.83Å; I948-A980 WeakPolarHBondContact CA-O 3.43Å; I948-A980 HydrophobicContact CB-CB 4.12Å; I948-A980 HydrophobicContact CD1-CB 4.2Å; I948-A980 HydrophobicContact CG1-CB 4.03Å; L949-A980 PolarHBondContact N-O 3.41Å; W977-A980 PolarHBondContact NE1-O 3.37Å; A980-D1033 WeakPolarHBondContact CA-OD2 3.39Å
981	I	93.1	Very high	81.8	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.5	170.5	-56.6	176.2	0	0	0	110.4	L949 L971 H972 W977 T983 D1033 I1034	L949-I981 WeakPolarHBondContact O-CA 3.46Å; L971-I981 HydrophobicContact CB-CD1 4.33Å; L971-I981 HydrophobicContact CD2-CD1 3.89Å; L971-I981 HydrophobicContact CD2-CG2 4.09Å; L971-I981 HydrophobicContact CG-CD1 3.91Å; H972-I981 VanDerWaalsContact CE1-CG1 3.49Å; H972-I981 WeakPolarHBondContact CE1-CG1 3.49Å; W977-I981 VanDerWaalsContact CD1-CG1 3.47Å; I981-T983 HydrophobicContact CG2-CG2 4.21Å; I981-D1033 PolarHBondContact N-OD2 3.18Å; I981-D1033 PolarHBondContact O-N 2.98Å; I981-I1034 PolarHBondContact O-N 3.34Å; I981-I1034 VanDerWaalsContact O-N 3.12Å
982	L	94.1	Very high	80.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134.9	162.7	-179.1	152.3	0	0	0	109.2	M925 I948 L949 L950 G951 I1034 M1036 Y1142 M1162	M925-L982 HydrophobicContact CE-CD1 4.06Å; M925-L982 HydrophobicContact SD-CD1 4.18Å; I948-L982 HydrophobicContact CD1-CB 4.26Å; L949-L982 PolarHBondContact O-N 2.91Å; L950-L982 CarbonylContact C-O 3.59Å; L950-L982 WeakPolarHBondContact CA-O 3.48Å; L950-L982 HydrophobicContact CD1-CD2 3.97Å; L950-L982 HydrophobicContact CG-CD2 4.16Å; G951-L982 PolarHBondContact N-O 2.93Å; L982-I1034 CarbonylContact C-O 3.52Å; L982-I1034 WeakPolarHBondContact CA-O 3.46Å; L982-I1034 HydrophobicContact CB-CB 4.04Å; L982-I1034 HydrophobicContact CB-CG2 4.47Å; L982-I1034 HydrophobicContact CD1-CB 4.01Å; L982-I1034 HydrophobicContact CD1-CD1 4.34Å; L982-I1034 HydrophobicContact CD1-CG2 3.59Å; L982-I1034 HydrophobicContact CG-CB 3.93Å; L982-I1034 HydrophobicContact CG-CG2 3.81Å; L982-M1036 HydrophobicContact CD1-SD 4.25Å; L982-M1036 HydrophobicContact CD2-CG 4.08Å; L982-M1036 HydrophobicContact CD2-SD 4.3Å; L982-M1036 HydrophobicContact CG-SD 4.44Å; L982-Y1142 HydrophobicContact CD1-CD1 3.98Å; L982-Y1142 HydrophobicContact CD1-CE1 3.72Å; L982-Y1142 HydrophobicContact CD2-CE1 3.94Å; L982-M1162 HydrophobicContact CD1-CE 3.8Å
983	T	90.8	Very high	78.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.8	174	47.5	0	0	0	0	112.5	G951 L971 I981 Q1027 L1030 S1032 I1034 M1036	G951-T983 WeakPolarHBondContact O-CA 3.42Å; L971-T983 HydrophobicContact CD2-CG2 4.34Å; I981-T983 HydrophobicContact CG2-CG2 4.21Å; T983-Q1027 PolarHBondContact O-OE1 2.86Å; T983-Q1027 VanDerWaalsContact O-OE1 3.05Å; T983-Q1027 PolarHBondContact OG1-OE1 2.89Å; T983-L1030 HydrophobicContact CG2-CB 4.3Å; T983-L1030 HydrophobicContact CG2-CD1 3.47Å; T983-L1030 VanDerWaalsContact CG2-CD1 3.47Å; T983-L1030 HydrophobicContact CG2-CG 4.5Å; T983-S1032 VanDerWaalsContact CG2-OG 3.29Å; T983-S1032 WeakPolarHBondContact CG2-OG 3.45Å; T983-I1034 PolarHBondContact N-O 3.25Å; T983-I1034 PolarHBondContact OG1-O 3.12Å; T983-M1036 VanDerWaalsContact O-CG 3.22Å; T983-M1036 WeakPolarHBondContact O-CG 3.5Å; T983-M1036 PolarHBondContact O-N 3.02Å
984	D	84	Confident	77.1	Confident	26 Å²	26	38.5 Å²	38.5	14%	0.139	21%	0.207	C	C	.	.			trans	-69.8	171.7	175.5	74.6	18.5	0	0	0	113.1	G951 N952 T953 G986	G951-D984 PolarHBondContact O-N 3.32Å; N952-D984 WeakPolarHBondContact CA-OD1 3.35Å; N952-D984 WeakPolarHBondContact CB-OD2 3.47Å; N952-D984 VanDerWaalsContact ND2-CG 3.34Å; N952-D984 PolarHBondContact ND2-OD1 3.05Å; N952-D984 VanDerWaalsContact ND2-OD1 3.12Å; N952-D984 PolarHBondContact ND2-OD2 3.11Å; T953-D984 WeakPolarHBondContact CB-O 3.38Å; T953-D984 PolarHBondContact N-OD1 3.13Å; T953-D984 PolarHBondContact OG1-O 3.12Å; D984-G986 PolarHBondContact O-N 3.38Å; D984-G986 PolarHBondContact OD1-N 3.39Å
985	S	77.7	Confident	75.6	Confident	5 Å²	5	43.6 Å²	43.6	4%	0.035	23%	0.229	C	C	.	.			trans	-72.2	-13.1	-177.7	73.2	0	0	0	0	114.5	G987 Q1037 D1039	S985-G987 PolarHBondContact O-N 2.83Å; S985-G987 PolarHBondContact OG-N 2.86Å; S985-Q1037 WeakPolarHBondContact CB-O 3.19Å; S985-D1039 PolarHBondContact OG-OD1 2.63Å
986	G	71.1	Confident	74.1	Confident	2 Å²	2	44.9 Å²	44.9	2%	0.021	24%	0.236	C	C	.	.	S	Bend	trans	68.5	-26.8	-164.7	0	0	0	0	0	115.3	D984 F988 Q989 M990	D984-G986 PolarHBondContact O-N 3.38Å; D984-G986 PolarHBondContact OD1-N 3.39Å; G986-F988 PolarHBondContact O-N 3.28Å; G986-Q989 PolarHBondContact O-N 3.07Å; G986-M990 PolarHBondContact O-N 2.99Å
987	G	65.9	Low	73.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.3	-47.1	-168.3	0	0	0	0	0	114.6	S985 Q989 M990 V991	S985-G987 PolarHBondContact O-N 2.83Å; S985-G987 PolarHBondContact OG-N 2.86Å; G987-Q989 VanDerWaalsContact C-N 3.28Å; G987-Q989 PolarHBondContact O-N 3.27Å; G987-M990 WeakPolarHBondContact O-CB 3.11Å; G987-M990 PolarHBondContact O-N 2.85Å; G987-V991 PolarHBondContact O-N 3.48Å
988	F	67	Low	72.9	Confident	133 Å²	133	48.1 Å²	48.1	58%	0.583	25%	0.246	S	C	*	.	H	α-helix	trans	-56.6	-39.7	-179.7	178.4	-114.2	0	0	0	113.2	G986 V991 S992 V1041	G986-F988 PolarHBondContact O-N 3.28Å; F988-V991 PolarHBondContact O-N 3.03Å; F988-S992 WeakPolarHBondContact O-CB 3.44Å; F988-S992 PolarHBondContact O-N 2.89Å; F988-V1041 HydrophobicContact CB-CG2 4.29Å; F988-V1041 HydrophobicContact CD2-CB 4.2Å; F988-V1041 HydrophobicContact CD2-CG1 3.74Å; F988-V1041 HydrophobicContact CD2-CG2 4.45Å; F988-V1041 HydrophobicContact CE2-CG1 4.25Å
989	Q	64.2	Low	72.8	Confident	52 Å²	52	47 Å²	47	24%	0.243	24%	0.238	C	C	.	.	H	α-helix	trans	-69.5	-35.7	178.9	-67.4	-164	2.2	0	0	111.8	N952 Y954 H955 G986 G987 S992 L993	N952-Q989 VanDerWaalsContact ND2-CD 3.3Å; N952-Q989 PolarHBondContact ND2-NE2 2.91Å; N952-Q989 PolarHBondContact OD1-OE1 2.86Å; Y954-Q989 HydrophobicContact CD1-CB 4.1Å; Y954-Q989 VanDerWaalsContact CD1-OE1 3.24Å; Y954-Q989 HydrophobicContact CG-CB 4.16Å; H955-Q989 PolarHBondContact CE1-OE1 3.08Å; G986-Q989 PolarHBondContact O-N 3.07Å; G987-Q989 VanDerWaalsContact C-N 3.28Å; G987-Q989 PolarHBondContact O-N 3.27Å; Q989-S992 PolarHBondContact O-N 3.27Å; Q989-S992 PolarHBondContact O-OG 3.22Å; Q989-L993 PolarHBondContact O-N 3.05Å
990	M	59.8	Low	72.7	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-67.9	-38.9	176.1	-68.9	161.1	41.7	0	0	112.2	Y954 G986 G987 L993 S997 V1004 F1006 L1017	Y954-M990 HydrophobicContact CD2-CG 3.33Å; Y954-M990 HydrophobicContact CD2-SD 3.84Å; Y954-M990 HydrophobicContact CE2-CG 3.59Å; Y954-M990 HydrophobicContact CE2-SD 4.45Å; Y954-M990 HydrophobicContact CG-CG 4.32Å; G986-M990 PolarHBondContact O-N 2.99Å; G987-M990 WeakPolarHBondContact O-CB 3.11Å; G987-M990 PolarHBondContact O-N 2.85Å; M990-L993 PolarHBondContact O-N 2.75Å; M990-S997 WeakPolarHBondContact O-CB 3.34Å; M990-S997 PolarHBondContact O-OG 3.36Å; M990-V1004 HydrophobicContact CB-CG1 4.24Å; M990-V1004 HydrophobicContact CE-CB 3.76Å; M990-V1004 HydrophobicContact CE-CG1 3.59Å; M990-F1006 HydrophobicContact CE-CD1 3.32Å; M990-F1006 HydrophobicContact CE-CE1 3.43Å; M990-F1006 VanDerWaalsContact CE-CE1 3.43Å; M990-F1006 HydrophobicContact CE-CG 4.15Å; M990-F1006 HydrophobicContact CE-CZ 4.35Å; M990-F1006 HydrophobicContact CG-CD1 4.45Å; M990-F1006 HydrophobicContact SD-CD1 4.25Å; M990-F1006 HydrophobicContact SD-CE1 3.95Å; M990-F1006 HydrophobicContact SD-CZ 4.33Å; M990-L1017 HydrophobicContact CE-CB 3.66Å; M990-L1017 HydrophobicContact CE-CD2 3.64Å; M990-L1017 HydrophobicContact CE-CG 4.3Å; M990-L1017 HydrophobicContact SD-CD2 3.65Å
991	V	56.3	Low	72.7	Confident	19 Å²	19	50.9 Å²	50.9	12%	0.115	26%	0.26	C	S	.	.	H	α-helix	trans	-70.2	-35.9	171.7	179.4	0	0	0	0	111.3	G987 F988 L993 N994 V999	G987-V991 PolarHBondContact O-N 3.48Å; F988-V991 PolarHBondContact O-N 3.03Å; V991-L993 PolarHBondContact O-N 2.96Å; V991-N994 VanDerWaalsContact O-CA 3.32Å; V991-N994 WeakPolarHBondContact O-CA 3.23Å; V991-N994 WeakPolarHBondContact O-CB 3.42Å; V991-N994 PolarHBondContact O-N 3.49Å; V991-N994 PolarHBondContact O-OD1 2.77Å; V991-N994 VanDerWaalsContact O-OD1 3.11Å; V991-V999 HydrophobicContact CG2-CG2 4.21Å
992	S	57.1	Low	72.6	Confident	74 Å²	74	55.2 Å²	55.2	52%	0.517	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-17	177.6	81.4	0	0	0	0	114.3	F988 Q989	F988-S992 WeakPolarHBondContact O-CB 3.44Å; F988-S992 PolarHBondContact O-N 2.89Å; Q989-S992 PolarHBondContact O-N 3.27Å; Q989-S992 PolarHBondContact O-OG 3.22Å
993	L	58	Low	72.3	Confident	77 Å²	77	55.2 Å²	55.2	40%	0.403	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.9	174.5	-66.5	173.3	0	0	0	114.1	Q989 M990 V991 K995	Q989-L993 PolarHBondContact O-N 3.05Å; M990-L993 PolarHBondContact O-N 2.75Å; V991-L993 PolarHBondContact O-N 2.96Å; L993-K995 PolarHBondContact O-N 3.17Å
994	N	54.1	Low	72.1	Confident	117 Å²	117	55.2 Å²	55.2	63%	0.626	28%	0.28	S	S	*	.			trans	21.7	-18.8	163.5	-110.7	-7.6	0	0	0	123.3	V991 S997	V991-N994 VanDerWaalsContact O-CA 3.32Å; V991-N994 WeakPolarHBondContact O-CA 3.23Å; V991-N994 WeakPolarHBondContact O-CB 3.42Å; V991-N994 PolarHBondContact O-N 3.49Å; V991-N994 PolarHBondContact O-OD1 2.77Å; V991-N994 VanDerWaalsContact O-OD1 3.11Å; N994-S997 PolarHBondContact N-OG 3.2Å
995	K	57.1	Low	72.1	Confident	204 Å²	204	57.4 Å²	57.4	89%	0.887	29%	0.286	S	S	*	.	S	Bend	trans	-89.9	-3.7	166.9	-65.4	-160.9	172.2	-155.2	0	113.1	L993	L993-K995 PolarHBondContact O-N 3.17Å
996	L	56.2	Low	71.9	Confident	68 Å²	68	57.7 Å²	57.7	36%	0.356	29%	0.287	S	S	.	.	S	Bend	trans	-136.3	17.2	-170.8	-63.7	176.8	0	0	0	112.1	F1006 T1007 P1009	L996-F1006 CarbonylContact O-C 3.48Å; L996-F1006 WeakPolarHBondContact O-CA 3.39Å; L996-T1007 PolarHBondContact O-N 2.99Å; L996-P1009 HydrophobicContact CD1-CB 4.37Å
997	S	70.8	Confident	71.9	Confident	28 Å²	28	59.4 Å²	59.4	20%	0.196	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	144.7	-175.9	36.4	0	0	0	0	113.2	M990 N994 R1005	M990-S997 WeakPolarHBondContact O-CB 3.34Å; M990-S997 PolarHBondContact O-OG 3.36Å; N994-S997 PolarHBondContact N-OG 3.2Å; S997-R1005 CarbonylContact C-O 3.55Å; S997-R1005 WeakPolarHBondContact CA-O 3.38Å; S997-R1005 WeakPolarHBondContact CB-O 3.42Å
998	E	80.4	Confident	72	Confident	118 Å²	118	59.6 Å²	59.6	55%	0.551	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	141.2	179	-177.4	-175.1	-174.1	0	0	108.9	T1000 R1005	E998-T1000 HydrophobicContact CG-CG2 4.24Å; E998-R1005 HydrophobicContact CB-CB 4.48Å; E998-R1005 PolarHBondContact N-O 3.45Å; E998-R1005 PolarHBondContact O-N 3.49Å
999	V	85.9	Confident	71.9	Confident	35 Å²	35	56 Å²	56	21%	0.212	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	100	179.6	-167.9	0	0	0	0	110.8	V991 V1004 H1040 R1057 W1061	V991-V999 HydrophobicContact CG2-CG2 4.21Å; V999-V1004 HydrophobicContact CG1-CG2 4.32Å; V999-V1004 HydrophobicContact CG2-CG1 4.47Å; V999-V1004 HydrophobicContact CG2-CG2 4.35Å; V999-H1040 HydrophobicContact CG1-CB 4.41Å; V999-R1057 PolarHBondContact O-NH1 2.94Å; V999-W1061 HydrophobicContact CG1-CH2 3.6Å; V999-W1061 HydrophobicContact CG1-CZ2 4.15Å; V999-W1061 HydrophobicContact CG1-CZ3 4.49Å
1000	T	89.9	Confident	71.9	Confident	34 Å²	34	60 Å²	60	21%	0.209	31%	0.307	C	S	.	.			trans	-89.7	-172.1	175.8	69.5	0	0	0	0	110.1	E998 E1002 G1003 R1057	E998-T1000 HydrophobicContact CG-CG2 4.24Å; T1000-E1002 WeakPolarHBondContact OG1-CB 3.45Å; T1000-E1002 PolarHBondContact OG1-N 2.8Å; T1000-G1003 PolarHBondContact N-O 2.85Å; T1000-G1003 VanDerWaalsContact N-O 3.16Å; T1000-G1003 PolarHBondContact OG1-N 3.36Å; T1000-G1003 PolarHBondContact OG1-O 3.33Å; T1000-R1057 WeakPolarHBondContact O-CD 3.28Å; T1000-R1057 PolarHBondContact O-NE 3.42Å; T1000-R1057 PolarHBondContact O-NH1 2.93Å
1001	E	92.9	Very high	72.6	Confident	70 Å²	70	64.1 Å²	64.1	33%	0.327	33%	0.329	S	S	.	.	S	Bend	trans	-77.9	-26.7	169.6	-159.5	62.5	-151.7	0	0	112.1	R1057 R1060 W1061 R1064	E1001-R1057 IonicContact OE2-CZ 2.73Å; E1001-R1057 VanDerWaalsContact OE2-CZ 3.28Å; E1001-R1057 IonicContact OE2-NE 2.6Å; E1001-R1057 PolarHBondContact OE2-NE 3.29Å; E1001-R1057 IonicContact OE2-NH2 2.91Å; E1001-R1057 PolarHBondContact OE2-NH2 3.14Å; E1001-R1060 VanDerWaalsContact CD-NH2 3.25Å; E1001-R1060 IonicContact OE1-CZ 3.31Å; E1001-R1060 VanDerWaalsContact OE1-CZ 3.23Å; E1001-R1060 IonicContact OE1-NE 2.75Å; E1001-R1060 PolarHBondContact OE1-NE 3.33Å; E1001-R1060 IonicContact OE1-NH2 3.72Å; E1001-R1060 PolarHBondContact OE1-NH2 2.98Å; E1001-R1060 IonicContact OE2-CZ 3.38Å; E1001-R1060 IonicContact OE2-NH2 3.91Å; E1001-R1060 PolarHBondContact OE2-NH2 3.16Å; E1001-W1061 PolarHBondContact O-NE1 3.11Å; E1001-R1064 PolarHBondContact O-NH1 2.65Å
1002	E	91.2	Very high	73.2	Confident	92 Å²	92	70.2 Å²	70.2	43%	0.43	36%	0.356	S	S	.	.	S	Bend	trans	-62.5	-47.8	179.1	-177.5	-171.3	-143.8	0	0	111.2	T1000 R1005 L1016 T1018 R1064	T1000-E1002 WeakPolarHBondContact OG1-CB 3.45Å; T1000-E1002 PolarHBondContact OG1-N 2.8Å; E1002-R1005 IonicContact OE2-NH2 2.67Å; E1002-R1005 PolarHBondContact OE2-NH2 3.47Å; E1002-L1016 HydrophobicContact CG-CD1 4.2Å; E1002-L1016 HydrophobicContact CG-CD2 3.79Å; E1002-L1016 WeakPolarHBondContact OE1-CD2 3.2Å; E1002-T1018 HydrophobicContact CG-CG2 4.28Å; E1002-R1064 PolarHBondContact O-NH1 3.27Å; E1002-R1064 PolarHBondContact O-NH2 3.4Å
1003	G	88.1	Confident	74	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.35	C	S	.	.			trans	174.4	-159.7	-178.1	0	0	0	0	0	112.6	T1000 L1017	T1000-G1003 PolarHBondContact N-O 2.85Å; T1000-G1003 VanDerWaalsContact N-O 3.16Å; T1000-G1003 PolarHBondContact OG1-N 3.36Å; T1000-G1003 PolarHBondContact OG1-O 3.33Å; G1003-L1017 CarbonylContact C-O 3.49Å; G1003-L1017 VanDerWaalsContact CA-O 3.31Å; G1003-L1017 WeakPolarHBondContact CA-O 3.3Å
1004	V	86.4	Confident	74.6	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	112.3	170.3	-177.7	0	0	0	0	108.9	M990 V999 L1016 L1017 W1061	M990-V1004 HydrophobicContact CB-CG1 4.24Å; M990-V1004 HydrophobicContact CE-CB 3.76Å; M990-V1004 HydrophobicContact CE-CG1 3.59Å; V999-V1004 HydrophobicContact CG1-CG2 4.32Å; V999-V1004 HydrophobicContact CG2-CG1 4.47Å; V999-V1004 HydrophobicContact CG2-CG2 4.35Å; V1004-L1016 CarbonylContact O-C 3.47Å; V1004-L1017 PolarHBondContact N-O 3.23Å; V1004-L1017 PolarHBondContact O-N 3.47Å; V1004-W1061 HydrophobicContact CG2-CH2 3.81Å; V1004-W1061 HydrophobicContact CG2-CZ3 4.18Å
1005	R	83.1	Confident	75.6	Confident	72 Å²	72	69 Å²	69	27%	0.272	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	134.8	172.3	-176.2	173.2	-64.5	-84.4	-9.3	108.7	S997 E998 E1002 E1014 M1015 L1016	S997-R1005 CarbonylContact C-O 3.55Å; S997-R1005 WeakPolarHBondContact CA-O 3.38Å; S997-R1005 WeakPolarHBondContact CB-O 3.42Å; E998-R1005 HydrophobicContact CB-CB 4.48Å; E998-R1005 PolarHBondContact N-O 3.45Å; E998-R1005 PolarHBondContact O-N 3.49Å; E1002-R1005 IonicContact OE2-NH2 2.67Å; E1002-R1005 PolarHBondContact OE2-NH2 3.47Å; R1005-E1014 WeakPolarHBondContact CD-OE2 3.47Å; R1005-E1014 IonicContact CZ-OE2 3.78Å; R1005-E1014 IonicContact NE-OE2 2.72Å; R1005-E1014 IonicContact NH1-OE2 3.89Å; R1005-E1014 PolarHBondContact NH1-OE2 2.74Å; R1005-M1015 CarbonylContact C-O 3.6Å; R1005-L1016 HydrophobicContact CB-CD1 4.45Å
1006	F	75.3	Confident	76.9	Confident	11 Å²	11	61.1 Å²	61.1	5%	0.048	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	142.9	176.9	71.9	-76.7	0	0	0	113.2	Y954 H958 M990 L996 E1014 M1015	Y954-F1006 HydrophobicContact CE2-CE2 4.16Å; H958-F1006 AromaticContact CE1-CE2 3.75Å; H958-F1006 AromaticContact CE1-CZ 3.78Å; H958-F1006 AromaticContact NE2-CE2 3.63Å; M990-F1006 HydrophobicContact CE-CD1 3.32Å; M990-F1006 HydrophobicContact CE-CE1 3.43Å; M990-F1006 VanDerWaalsContact CE-CE1 3.43Å; M990-F1006 HydrophobicContact CE-CG 4.15Å; M990-F1006 HydrophobicContact CE-CZ 4.35Å; M990-F1006 HydrophobicContact CG-CD1 4.45Å; M990-F1006 HydrophobicContact SD-CD1 4.25Å; M990-F1006 HydrophobicContact SD-CE1 3.95Å; M990-F1006 HydrophobicContact SD-CZ 4.33Å; L996-F1006 CarbonylContact O-C 3.48Å; L996-F1006 WeakPolarHBondContact O-CA 3.39Å; F1006-E1014 CarbonylContact O-C 3.59Å; F1006-E1014 WeakPolarHBondContact O-CA 3.14Å; F1006-M1015 HydrophobicContact CD1-CB 3.93Å; F1006-M1015 WeakPolarHBondContact CD1-O 3.37Å; F1006-M1015 HydrophobicContact CD2-CB 4.49Å; F1006-M1015 HydrophobicContact CE1-CB 3.42Å; F1006-M1015 VanDerWaalsContact CE1-CB 3.42Å; F1006-M1015 HydrophobicContact CE2-CB 4.04Å; F1006-M1015 HydrophobicContact CE2-CG 4.46Å; F1006-M1015 HydrophobicContact CE2-SD 3.92Å; F1006-M1015 HydrophobicContact CG-CB 4.46Å; F1006-M1015 HydrophobicContact CZ-CB 3.49Å; F1006-M1015 VanDerWaalsContact CZ-CB 3.49Å; F1006-M1015 HydrophobicContact CZ-CE 3.88Å; F1006-M1015 HydrophobicContact CZ-CG 4.14Å; F1006-M1015 HydrophobicContact CZ-SD 3.68Å; F1006-M1015 PolarHBondContact N-O 3.29Å; F1006-M1015 PolarHBondContact O-N 3.2Å
1007	T	70	Confident	78.3	Confident	38 Å²	38	58.1 Å²	58.1	23%	0.233	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	120	171.3	-46.8	0	0	0	0	109.6	L996 H1012	L996-T1007 PolarHBondContact O-N 2.99Å; T1007-H1012 HydrophobicContact CG2-CB 4.34Å
1008	S	68.7	Low	79.1	Confident	4 Å²	4	57.5 Å²	57.5	3%	0.028	29%	0.288	C	S	.	.			trans	-60.2	125.1	175.3	165.3	0	0	0	0	111.2	H1010 N1011 H1012 T1013	S1008-H1010 PolarHBondContact O-N 2.86Å; S1008-H1010 VanDerWaalsContact O-N 3.07Å; S1008-H1010 PolarHBondContact OG-N 2.71Å; S1008-N1011 WeakPolarHBondContact CB-OD1 3.2Å; S1008-N1011 PolarHBondContact OG-OD1 2.87Å; S1008-H1012 WeakPolarHBondContact O-CA 3.38Å; S1008-H1012 PolarHBondContact O-N 3.45Å; S1008-T1013 WeakPolarHBondContact CB-O 3.48Å; S1008-T1013 PolarHBondContact N-O 2.77Å
1009	P	64.2	Low	79.5	Confident	59 Å²	59	51.9 Å²	51.9	38%	0.383	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	4.3	-177	32.2	-37.4	0	0	0	113.9	L996	L996-P1009 HydrophobicContact CD1-CB 4.37Å
1010	H	64.9	Low	79.7	Confident	134 Å²	134	53.6 Å²	53.6	62%	0.62	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-34.2	-178.2	-68.8	-37.9	0	0	0	114.2	S1008	S1008-H1010 PolarHBondContact O-N 2.86Å; S1008-H1010 VanDerWaalsContact O-N 3.07Å; S1008-H1010 PolarHBondContact OG-N 2.71Å
1011	N	74.3	Confident	79.4	Confident	93 Å²	93	55 Å²	55	50%	0.497	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.1	4.7	-172.2	64.5	-35.1	0	0	0	112.9	S1008 T1013	S1008-N1011 WeakPolarHBondContact CB-OD1 3.2Å; S1008-N1011 PolarHBondContact OG-OD1 2.87Å; N1011-T1013 WeakPolarHBondContact ND2-CG2 3.27Å; N1011-T1013 PolarHBondContact ND2-OG1 2.91Å; N1011-T1013 PolarHBondContact O-N 2.87Å; N1011-T1013 VanDerWaalsContact O-N 3.07Å; N1011-T1013 PolarHBondContact OD1-OG1 3.32Å
1012	H	69.6	Low	79.2	Confident	147 Å²	147	51.7 Å²	51.7	68%	0.681	26%	0.256	S	S	*	.			trans	58.6	14.2	178.9	-55.6	-74	0	0	0	116.2	T1007 S1008	T1007-H1012 HydrophobicContact CG2-CB 4.34Å; S1008-H1012 WeakPolarHBondContact O-CA 3.38Å; S1008-H1012 PolarHBondContact O-N 3.45Å
1013	T	72.2	Confident	78.8	Confident	64 Å²	64	47.4 Å²	47.4	39%	0.393	24%	0.236	S	C	.	.			trans	-70.3	131.7	169.3	52	0	0	0	0	109.8	S1008 N1011	S1008-T1013 WeakPolarHBondContact CB-O 3.48Å; S1008-T1013 PolarHBondContact N-O 2.77Å; N1011-T1013 WeakPolarHBondContact ND2-CG2 3.27Å; N1011-T1013 PolarHBondContact ND2-OG1 2.91Å; N1011-T1013 PolarHBondContact O-N 2.87Å; N1011-T1013 VanDerWaalsContact O-N 3.07Å; N1011-T1013 PolarHBondContact OD1-OG1 3.32Å
1014	E	71.9	Confident	78.4	Confident	118 Å²	118	48 Å²	48	55%	0.551	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.7	141.3	159.4	-76.8	-170.1	-157.8	0	0	110.3	R1005 F1006	R1005-E1014 WeakPolarHBondContact CD-OE2 3.47Å; R1005-E1014 IonicContact CZ-OE2 3.78Å; R1005-E1014 IonicContact NE-OE2 2.72Å; R1005-E1014 IonicContact NH1-OE2 3.89Å; R1005-E1014 PolarHBondContact NH1-OE2 2.74Å; F1006-E1014 CarbonylContact O-C 3.59Å; F1006-E1014 WeakPolarHBondContact O-CA 3.14Å
1015	M	75.6	Confident	78.1	Confident	59 Å²	59	50.6 Å²	50.6	29%	0.291	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.4	170.3	-67.7	-179.3	66.7	0	0	106.6	R1005 F1006	R1005-M1015 CarbonylContact C-O 3.6Å; F1006-M1015 HydrophobicContact CD1-CB 3.93Å; F1006-M1015 WeakPolarHBondContact CD1-O 3.37Å; F1006-M1015 HydrophobicContact CD2-CB 4.49Å; F1006-M1015 HydrophobicContact CE1-CB 3.42Å; F1006-M1015 VanDerWaalsContact CE1-CB 3.42Å; F1006-M1015 HydrophobicContact CE2-CB 4.04Å; F1006-M1015 HydrophobicContact CE2-CG 4.46Å; F1006-M1015 HydrophobicContact CE2-SD 3.92Å; F1006-M1015 HydrophobicContact CG-CB 4.46Å; F1006-M1015 HydrophobicContact CZ-CB 3.49Å; F1006-M1015 VanDerWaalsContact CZ-CB 3.49Å; F1006-M1015 HydrophobicContact CZ-CE 3.88Å; F1006-M1015 HydrophobicContact CZ-CG 4.14Å; F1006-M1015 HydrophobicContact CZ-SD 3.68Å; F1006-M1015 PolarHBondContact N-O 3.29Å; F1006-M1015 PolarHBondContact O-N 3.2Å
1016	L	83.2	Confident	78.2	Confident	39 Å²	39	48.5 Å²	48.5	20%	0.204	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	154.9	163.3	-176.4	61.6	0	0	0	107.9	E1002 V1004 R1005 T1018	E1002-L1016 HydrophobicContact CG-CD1 4.2Å; E1002-L1016 HydrophobicContact CG-CD2 3.79Å; E1002-L1016 WeakPolarHBondContact OE1-CD2 3.2Å; V1004-L1016 CarbonylContact O-C 3.47Å; R1005-L1016 HydrophobicContact CB-CD1 4.45Å; L1016-T1018 HydrophobicContact CD1-CG2 4.4Å; L1016-T1018 HydrophobicContact CD2-CG2 3.54Å; L1016-T1018 HydrophobicContact CG-CG2 3.72Å
1017	L	84.9	Confident	78.8	Confident	5 Å²	5	48 Å²	48	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	102.7	161.6	-178.5	67.4	0	0	0	107.6	M990 G1003 V1004 E1021 F1026 L1038	M990-L1017 HydrophobicContact CE-CB 3.66Å; M990-L1017 HydrophobicContact CE-CD2 3.64Å; M990-L1017 HydrophobicContact CE-CG 4.3Å; M990-L1017 HydrophobicContact SD-CD2 3.65Å; G1003-L1017 CarbonylContact C-O 3.49Å; G1003-L1017 VanDerWaalsContact CA-O 3.31Å; G1003-L1017 WeakPolarHBondContact CA-O 3.3Å; V1004-L1017 PolarHBondContact N-O 3.23Å; V1004-L1017 PolarHBondContact O-N 3.47Å; L1017-E1021 HydrophobicContact CD1-CB 3.95Å; L1017-F1026 HydrophobicContact CD1-CD2 3.87Å; L1017-F1026 HydrophobicContact CD1-CE2 3.7Å; L1017-F1026 HydrophobicContact CD1-CZ 4.5Å; L1017-L1038 HydrophobicContact CD2-CD1 4.08Å; L1017-L1038 HydrophobicContact CG-CD2 4.39Å; L1017-L1038 WeakPolarHBondContact O-CD2 3.2Å
1018	T	89.1	Confident	79.6	Confident	15 Å²	15	48 Å²	48	9%	0.092	25%	0.246	C	C	.	.			trans	-86.3	165.1	172.6	79.8	0	0	0	0	111.1	E1002 L1016 E1020 E1021 S1022	E1002-T1018 HydrophobicContact CG-CG2 4.28Å; L1016-T1018 HydrophobicContact CD1-CG2 4.4Å; L1016-T1018 HydrophobicContact CD2-CG2 3.54Å; L1016-T1018 HydrophobicContact CG-CG2 3.72Å; T1018-E1020 WeakPolarHBondContact CB-OE2 3.44Å; T1018-E1020 PolarHBondContact O-N 3.21Å; T1018-E1020 WeakPolarHBondContact OG1-CB 3.37Å; T1018-E1020 PolarHBondContact OG1-N 3.31Å; T1018-E1020 VanDerWaalsContact OG1-N 3.1Å; T1018-E1020 PolarHBondContact OG1-OE2 2.95Å; T1018-E1021 PolarHBondContact O-N 2.87Å; T1018-E1021 PolarHBondContact OG1-N 3.1Å; T1018-E1021 VanDerWaalsContact OG1-N 3.11Å; T1018-S1022 WeakPolarHBondContact O-CB 3.33Å; T1018-S1022 PolarHBondContact O-N 3.2Å
1019	P	89.3	Confident	80.4	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-47.5	-40.2	162.4	-33.7	39.1	0	0	0	114.4	V1023 L1038 W1061 R1064 H1065	P1019-V1023 PolarHBondContact O-N 3.46Å; P1019-V1023 VanDerWaalsContact O-N 3.17Å; P1019-L1038 HydrophobicContact CG-CD2 4.32Å; P1019-W1061 HydrophobicContact CG-CB 3.86Å; P1019-W1061 HydrophobicContact CG-CD2 4.07Å; P1019-W1061 HydrophobicContact CG-CG 3.66Å; P1019-R1064 HydrophobicContact CB-CB 3.9Å; P1019-R1064 HydrophobicContact CG-CB 4.42Å; P1019-H1065 WeakPolarHBondContact CA-CE1 3.48Å; P1019-H1065 PolarHBondContact O-CE1 3.35Å; P1019-H1065 PolarHBondContact O-ND1 3.26Å
1020	E	88.3	Confident	81.5	Confident	71 Å²	71	45.3 Å²	45.3	33%	0.332	23%	0.228	S	C	.	.	I	π-helix	trans	-66.9	-38.8	178	-56.7	67.1	-147.2	0	0	112.5	T1018 G1024 N1025 R1064 I1068	T1018-E1020 WeakPolarHBondContact CB-OE2 3.44Å; T1018-E1020 PolarHBondContact O-N 3.21Å; T1018-E1020 WeakPolarHBondContact OG1-CB 3.37Å; T1018-E1020 PolarHBondContact OG1-N 3.31Å; T1018-E1020 VanDerWaalsContact OG1-N 3.1Å; T1018-E1020 PolarHBondContact OG1-OE2 2.95Å; E1020-G1024 CarbonylContact O-C 3.43Å; E1020-G1024 WeakPolarHBondContact O-CA 3.33Å; E1020-G1024 PolarHBondContact O-N 3.11Å; E1020-N1025 PolarHBondContact O-N 2.91Å; E1020-R1064 VanDerWaalsContact CD-NH2 3.34Å; E1020-R1064 IonicContact OE1-CZ 2.67Å; E1020-R1064 IonicContact OE1-NE 3.96Å; E1020-R1064 PolarHBondContact OE1-NE 2.63Å; E1020-R1064 IonicContact OE1-NH2 2.92Å; E1020-R1064 PolarHBondContact OE1-NH2 2.85Å; E1020-R1064 IonicContact OE2-CZ 3.15Å; E1020-R1064 IonicContact OE2-NE 2.75Å; E1020-R1064 IonicContact OE2-NH2 3.28Å; E1020-R1064 PolarHBondContact OE2-NH2 2.91Å; E1020-I1068 HydrophobicContact CB-CD1 4.16Å; E1020-I1068 HydrophobicContact CG-CD1 3.96Å
1021	E	85	Confident	82.6	Confident	65 Å²	65	40.1 Å²	40.1	30%	0.304	21%	0.211	S	C	.	.	I	π-helix	trans	-73.5	-45.3	173.2	-76.6	-168.2	102.9	0	0	112.3	L1017 T1018 N1025 F1026	L1017-E1021 HydrophobicContact CD1-CB 3.95Å; T1018-E1021 PolarHBondContact O-N 2.87Å; T1018-E1021 PolarHBondContact OG1-N 3.1Å; T1018-E1021 VanDerWaalsContact OG1-N 3.11Å; E1021-N1025 WeakPolarHBondContact O-CB 3.49Å; E1021-N1025 PolarHBondContact O-N 3.05Å; E1021-F1026 PolarHBondContact O-N 3.29Å
1022	S	87.4	Confident	83.4	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	I	π-helix	trans	-60	-54	-174.6	179.1	0	0	0	0	112.5	T1018 Q1027	T1018-S1022 WeakPolarHBondContact O-CB 3.33Å; T1018-S1022 PolarHBondContact O-N 3.2Å; S1022-Q1027 WeakPolarHBondContact O-CB 3.43Å; S1022-Q1027 WeakPolarHBondContact O-CG 3.18Å; S1022-Q1027 PolarHBondContact O-N 3.2Å; S1022-Q1027 PolarHBondContact OG-NE2 3.48Å
1023	V	83.9	Confident	84.4	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.006	16%	0.155	C	C	.	.	I	π-helix	trans	-89.5	-55.6	176.1	171.1	0	0	0	0	110.5	P1019 N1025 N1028 V1035 H1065 T1069 L1080	P1019-V1023 PolarHBondContact O-N 3.46Å; P1019-V1023 VanDerWaalsContact O-N 3.17Å; V1023-N1025 VanDerWaalsContact C-N 3.28Å; V1023-N1025 PolarHBondContact O-N 3.35Å; V1023-N1025 VanDerWaalsContact O-N 3.15Å; V1023-N1028 WeakPolarHBondContact O-CB 3.42Å; V1023-N1028 PolarHBondContact O-N 3.46Å; V1023-N1028 PolarHBondContact O-ND2 2.91Å; V1023-N1028 VanDerWaalsContact O-ND2 3.13Å; V1023-N1028 PolarHBondContact O-OD1 2.83Å; V1023-V1035 HydrophobicContact CB-CG2 4.4Å; V1023-V1035 HydrophobicContact CG1-CG2 3.96Å; V1023-V1035 HydrophobicContact CG2-CG2 3.68Å; V1023-H1065 WeakPolarHBondContact CB-ND1 3.29Å; V1023-H1065 VanDerWaalsContact CG2-CE1 3.41Å; V1023-H1065 WeakPolarHBondContact CG2-CE1 3.4Å; V1023-H1065 WeakPolarHBondContact CG2-ND1 3.45Å; V1023-T1069 HydrophobicContact CG1-CG2 4.2Å; V1023-L1080 HydrophobicContact CG2-CD1 4.49Å
1024	G	78.7	Confident	85.4	Confident	12 Å²	12	25.7 Å²	25.7	12%	0.124	14%	0.136	C	C	.	.	I	π-helix	trans	-60.6	-29.6	-168.4	0	0	0	0	0	115.2	E1020 N1028 K1072	E1020-G1024 CarbonylContact O-C 3.43Å; E1020-G1024 WeakPolarHBondContact O-CA 3.33Å; E1020-G1024 PolarHBondContact O-N 3.11Å; G1024-N1028 VanDerWaalsContact C-ND2 3.33Å; G1024-N1028 WeakPolarHBondContact CA-ND2 3.45Å; G1024-N1028 PolarHBondContact O-ND2 2.79Å; G1024-K1072 PolarHBondContact O-NZ 2.69Å
1025	N	81.7	Confident	86.4	Confident	55 Å²	55	20.2 Å²	20.2	29%	0.294	11%	0.111	S	C	.	.	I	π-helix	trans	-113.6	-56.8	177.4	-171.7	16.2	0	0	0	113.3	R966 E1020 E1021 V1023 A1029	R966-N1025 PolarHBondContact NH2-OD1 3.29Å; E1020-N1025 PolarHBondContact O-N 2.91Å; E1021-N1025 WeakPolarHBondContact O-CB 3.49Å; E1021-N1025 PolarHBondContact O-N 3.05Å; V1023-N1025 VanDerWaalsContact C-N 3.28Å; V1023-N1025 PolarHBondContact O-N 3.35Å; V1023-N1025 VanDerWaalsContact O-N 3.15Å; N1025-A1029 VanDerWaalsContact O-CB 3.28Å; N1025-A1029 WeakPolarHBondContact O-CB 3.3Å; N1025-A1029 PolarHBondContact O-N 2.82Å
1026	F	84.8	Confident	87.2	Confident	29 Å²	29	17.4 Å²	17.4	13%	0.127	10%	0.097	C	C	.	.	I	π-helix	trans	-75.2	-63.5	-168.4	-69.7	4.7	0	0	0	112.2	T953 P962 L1017 E1021 N1028 A1029 L1030	T953-F1026 HydrophobicContact CG2-CB 4.39Å; P962-F1026 HydrophobicContact CB-CD1 4Å; P962-F1026 HydrophobicContact CG-CD1 3.81Å; P962-F1026 HydrophobicContact CG-CE1 3.87Å; L1017-F1026 HydrophobicContact CD1-CD2 3.87Å; L1017-F1026 HydrophobicContact CD1-CE2 3.7Å; L1017-F1026 HydrophobicContact CD1-CZ 4.5Å; E1021-F1026 PolarHBondContact O-N 3.29Å; F1026-N1028 PolarHBondContact O-N 2.81Å; F1026-A1029 CarbonylContact O-C 3.05Å; F1026-A1029 WeakPolarHBondContact O-CA 3.11Å; F1026-A1029 WeakPolarHBondContact O-CB 3.5Å; F1026-A1029 PolarHBondContact O-N 2.85Å; F1026-L1030 WeakPolarHBondContact O-CG 3.37Å; F1026-L1030 PolarHBondContact O-N 3.11Å
1027	Q	88.2	Confident	87.7	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.	I	π-helix	trans	-63.6	-28.2	-178.6	-68.2	-178.5	76.5	0	0	112.4	T953 T983 S1022 L1030 G1031 V1035 M1036 Q1078	T953-Q1027 HydrophobicContact CG2-CG 4.12Å; T983-Q1027 PolarHBondContact O-OE1 2.86Å; T983-Q1027 VanDerWaalsContact O-OE1 3.05Å; T983-Q1027 PolarHBondContact OG1-OE1 2.89Å; S1022-Q1027 WeakPolarHBondContact O-CB 3.43Å; S1022-Q1027 WeakPolarHBondContact O-CG 3.18Å; S1022-Q1027 PolarHBondContact O-N 3.2Å; S1022-Q1027 PolarHBondContact OG-NE2 3.48Å; Q1027-L1030 HydrophobicContact CG-CD1 4.44Å; Q1027-L1030 WeakPolarHBondContact O-CB 3.47Å; Q1027-L1030 PolarHBondContact O-N 3.23Å; Q1027-G1031 PolarHBondContact O-N 2.97Å; Q1027-V1035 HydrophobicContact CB-CG1 4.12Å; Q1027-V1035 HydrophobicContact CB-CG2 4.24Å; Q1027-M1036 PolarHBondContact NE2-O 3.25Å; Q1027-M1036 VanDerWaalsContact OE1-N 3.1Å; Q1027-Q1078 PolarHBondContact O-NE2 2.92Å
1028	N	86	Confident	88	Confident	38 Å²	38	15.3 Å²	15.3	20%	0.203	9%	0.086	C	C	.	.	H	α-helix	trans	-64.8	-38.2	167.5	-73.4	-15.2	0	0	0	113.3	V1023 G1024 F1026 L1030 G1031 Q1078	V1023-N1028 WeakPolarHBondContact O-CB 3.42Å; V1023-N1028 PolarHBondContact O-N 3.46Å; V1023-N1028 PolarHBondContact O-ND2 2.91Å; V1023-N1028 VanDerWaalsContact O-ND2 3.13Å; V1023-N1028 PolarHBondContact O-OD1 2.83Å; G1024-N1028 VanDerWaalsContact C-ND2 3.33Å; G1024-N1028 WeakPolarHBondContact CA-ND2 3.45Å; G1024-N1028 PolarHBondContact O-ND2 2.79Å; F1026-N1028 PolarHBondContact O-N 2.81Å; N1028-L1030 VanDerWaalsContact C-N 3.33Å; N1028-G1031 PolarHBondContact O-N 3.21Å; N1028-Q1078 PolarHBondContact OD1-OE1 3.37Å
1029	A	85.3	Confident	88.2	Confident	5 Å²	5	14.9 Å²	14.9	4%	0.041	8%	0.083	C	C	.	.	H	α-helix	trans	-74.8	-20.5	173.1	0	0	0	0	0	113.4	P962 R966 N1025 F1026	P962-A1029 HydrophobicContact CB-CB 4.03Å; R966-A1029 HydrophobicContact CB-CB 4.42Å; N1025-A1029 VanDerWaalsContact O-CB 3.28Å; N1025-A1029 WeakPolarHBondContact O-CB 3.3Å; N1025-A1029 PolarHBondContact O-N 2.82Å; F1026-A1029 CarbonylContact O-C 3.05Å; F1026-A1029 WeakPolarHBondContact O-CA 3.11Å; F1026-A1029 WeakPolarHBondContact O-CB 3.5Å; F1026-A1029 PolarHBondContact O-N 2.85Å
1030	L	87.7	Confident	88.2	Confident	2 Å²	2	16.1 Å²	16.1	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-72.5	-37.7	166.7	-56.2	-175.5	0	0	0	111	T953 L956 L965 L971 T983 F1026 Q1027 N1028	T953-L1030 HydrophobicContact CG2-CD1 4.39Å; L956-L1030 HydrophobicContact CB-CD2 4.09Å; L956-L1030 HydrophobicContact CD1-CD1 4.24Å; L956-L1030 HydrophobicContact CD1-CD2 4.38Å; L965-L1030 HydrophobicContact CD1-CD2 3.26Å; L965-L1030 HydrophobicContact CG-CD2 4.46Å; L971-L1030 HydrophobicContact CB-CB 4.33Å; L971-L1030 WeakPolarHBondContact CB-O 3.14Å; L971-L1030 HydrophobicContact CD2-CB 4.42Å; L971-L1030 PolarHBondContact N-O 3.19Å; T983-L1030 HydrophobicContact CG2-CB 4.3Å; T983-L1030 HydrophobicContact CG2-CD1 3.47Å; T983-L1030 VanDerWaalsContact CG2-CD1 3.47Å; T983-L1030 HydrophobicContact CG2-CG 4.5Å; F1026-L1030 WeakPolarHBondContact O-CG 3.37Å; F1026-L1030 PolarHBondContact O-N 3.11Å; Q1027-L1030 HydrophobicContact CG-CD1 4.44Å; Q1027-L1030 WeakPolarHBondContact O-CB 3.47Å; Q1027-L1030 PolarHBondContact O-N 3.23Å; N1028-L1030 VanDerWaalsContact C-N 3.33Å
1031	G	87.5	Confident	88.1	Confident	24 Å²	24	13.4 Å²	13.4	25%	0.247	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	41.1	178.5	0	0	0	0	0	112.7	H972 Q1027 N1028	H972-G1031 PolarHBondContact CD2-O 2.99Å; H972-G1031 VanDerWaalsContact CD2-O 3.24Å; H972-G1031 PolarHBondContact NE2-O 2.87Å; Q1027-G1031 PolarHBondContact O-N 2.97Å; N1028-G1031 PolarHBondContact O-N 3.21Å
1032	S	90.4	Very high	88.1	Confident	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.072	C	C	.	.			trans	-93.6	141.7	-177.7	-59.5	0	0	0	0	111.8	T983 I1034 Q1078	T983-S1032 VanDerWaalsContact CG2-OG 3.29Å; T983-S1032 WeakPolarHBondContact CG2-OG 3.45Å; S1032-I1034 VanDerWaalsContact C-N 3.3Å; S1032-I1034 PolarHBondContact O-N 3.36Å; S1032-Q1078 VanDerWaalsContact N-NE2 3.12Å; S1032-Q1078 WeakPolarHBondContact O-CG 3.17Å; S1032-Q1078 PolarHBondContact O-NE2 3.37Å
1033	D	91.9	Very high	87.9	Confident	1 Å²	1	16.5 Å²	16.5	1%	0.005	9%	0.094	C	C	.	.	S	Bend	trans	-59	-35.7	-170	-51	-99.5	0	0	0	114.3	L911 P912 H913 H972 A980 I981 N1079	L911-D1033 HydrophobicContact CB-CB 4.01Å; L911-D1033 HydrophobicContact CD1-CB 4.22Å; L911-D1033 HydrophobicContact CD2-CB 4.38Å; L911-D1033 HydrophobicContact CG-CB 4.44Å; P912-D1033 WeakPolarHBondContact CD-OD1 3.22Å; H913-D1033 WeakPolarHBondContact CB-OD1 3.38Å; H913-D1033 IonicContact CE1-OD1 2.99Å; H913-D1033 IonicContact CG-OD1 2.66Å; H913-D1033 PolarHBondContact N-OD1 3.17Å; H913-D1033 IonicContact ND1-OD1 2.65Å; H913-D1033 PolarHBondContact ND1-OD1 2.84Å; H913-D1033 IonicContact ND1-OD2 2.69Å; H913-D1033 PolarHBondContact ND1-OD2 3.31Å; H972-D1033 IonicContact CE1-OD2 2.75Å; H972-D1033 PolarHBondContact CE1-OD2 2.78Å; H972-D1033 IonicContact NE2-OD2 3.96Å; H972-D1033 PolarHBondContact NE2-OD2 2.82Å; A980-D1033 WeakPolarHBondContact CA-OD2 3.39Å; I981-D1033 PolarHBondContact N-OD2 3.18Å; I981-D1033 PolarHBondContact O-N 2.98Å; D1033-N1079 VanDerWaalsContact O-CB 3.28Å; D1033-N1079 WeakPolarHBondContact O-CB 3.14Å; D1033-N1079 PolarHBondContact O-N 3.5Å; D1033-N1079 PolarHBondContact O-ND2 3.5Å
1034	I	93	Very high	87.7	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.3	175.9	-58.6	174.3	0	0	0	109.5	L911 I948 I981 L982 T983 S1032 M1036 N1079 F1081 M1162	L911-I1034 HydrophobicContact CD1-CD1 3.86Å; L911-I1034 HydrophobicContact CD1-CG1 4.16Å; L911-I1034 HydrophobicContact CD2-CD1 4.03Å; L911-I1034 HydrophobicContact CD2-CG1 3.87Å; I948-I1034 HydrophobicContact CD1-CD1 4.2Å; I981-I1034 PolarHBondContact O-N 3.34Å; I981-I1034 VanDerWaalsContact O-N 3.12Å; L982-I1034 CarbonylContact C-O 3.52Å; L982-I1034 WeakPolarHBondContact CA-O 3.46Å; L982-I1034 HydrophobicContact CB-CB 4.04Å; L982-I1034 HydrophobicContact CB-CG2 4.47Å; L982-I1034 HydrophobicContact CD1-CB 4.01Å; L982-I1034 HydrophobicContact CD1-CD1 4.34Å; L982-I1034 HydrophobicContact CD1-CG2 3.59Å; L982-I1034 HydrophobicContact CG-CB 3.93Å; L982-I1034 HydrophobicContact CG-CG2 3.81Å; T983-I1034 PolarHBondContact N-O 3.25Å; T983-I1034 PolarHBondContact OG1-O 3.12Å; S1032-I1034 VanDerWaalsContact C-N 3.3Å; S1032-I1034 PolarHBondContact O-N 3.36Å; I1034-M1036 HydrophobicContact CG2-SD 4.49Å; I1034-N1079 HydrophobicContact CG1-CB 4.39Å; I1034-F1081 HydrophobicContact CD1-CE1 4.12Å; I1034-F1081 HydrophobicContact CD1-CZ 3.9Å; I1034-F1081 HydrophobicContact CG1-CE1 4.21Å; I1034-F1081 HydrophobicContact CG1-CZ 4.48Å; I1034-F1081 HydrophobicContact CG2-CB 4.49Å; I1034-F1081 HydrophobicContact CG2-CD1 3.52Å; I1034-F1081 HydrophobicContact CG2-CD2 4.24Å; I1034-F1081 HydrophobicContact CG2-CE1 3.62Å; I1034-F1081 HydrophobicContact CG2-CE2 4.32Å; I1034-F1081 HydrophobicContact CG2-CG 3.85Å; I1034-F1081 HydrophobicContact CG2-CZ 4.01Å; I1034-M1162 HydrophobicContact CD1-CE 3.82Å
1035	V	92.5	Very high	87.7	Confident	3 Å²	3	21.9 Å²	21.9	2%	0.018	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.3	-168.7	-78.6	0	0	0	0	108.6	V1023 Q1027 Q1078 N1079 L1080 F1081	V1023-V1035 HydrophobicContact CB-CG2 4.4Å; V1023-V1035 HydrophobicContact CG1-CG2 3.96Å; V1023-V1035 HydrophobicContact CG2-CG2 3.68Å; Q1027-V1035 HydrophobicContact CB-CG1 4.12Å; Q1027-V1035 HydrophobicContact CB-CG2 4.24Å; V1035-Q1078 HydrophobicContact CG1-CB 4.02Å; V1035-Q1078 VanDerWaalsContact CG1-NE2 3.33Å; V1035-N1079 PolarHBondContact N-O 2.92Å; V1035-L1080 HydrophobicContact CG2-CD1 4.2Å; V1035-L1080 CarbonylContact O-C 3.55Å; V1035-L1080 WeakPolarHBondContact O-CA 3.38Å; V1035-F1081 PolarHBondContact O-N 3.24Å
1036	M	93.3	Very high	87.8	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	140.1	-178	-60.3	-53.9	-52.1	0	0	111.5	L982 T983 Q1027 I1034 F1081 I1083 A1111 Y1142	L982-M1036 HydrophobicContact CD1-SD 4.25Å; L982-M1036 HydrophobicContact CD2-CG 4.08Å; L982-M1036 HydrophobicContact CD2-SD 4.3Å; L982-M1036 HydrophobicContact CG-SD 4.44Å; T983-M1036 VanDerWaalsContact O-CG 3.22Å; T983-M1036 WeakPolarHBondContact O-CG 3.5Å; T983-M1036 PolarHBondContact O-N 3.02Å; Q1027-M1036 PolarHBondContact NE2-O 3.25Å; Q1027-M1036 VanDerWaalsContact OE1-N 3.1Å; I1034-M1036 HydrophobicContact CG2-SD 4.49Å; M1036-F1081 HydrophobicContact CE-CB 3.64Å; M1036-F1081 HydrophobicContact SD-CB 3.61Å; M1036-F1081 HydrophobicContact SD-CD2 4.38Å; M1036-F1081 HydrophobicContact SD-CG 4.27Å; M1036-I1083 HydrophobicContact CB-CD1 4.31Å; M1036-I1083 HydrophobicContact CE-CD1 3.91Å; M1036-I1083 HydrophobicContact CE-CG1 3.37Å; M1036-A1111 HydrophobicContact CE-CB 3.58Å; M1036-Y1142 HydrophobicContact CE-CD1 4.27Å; M1036-Y1142 HydrophobicContact CE-CE1 4.37Å; M1036-Y1142 HydrophobicContact SD-CD1 4.05Å; M1036-Y1142 HydrophobicContact SD-CE1 3.94Å
1037	Q	93.2	Very high	88	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-55.8	151.6	169.3	77.2	177	46.6	0	0	111.3	S985 D1039 L1062 F1081 I1083	S985-Q1037 WeakPolarHBondContact CB-O 3.19Å; Q1037-D1039 HydrophobicContact CG-CB 4.45Å; Q1037-L1062 HydrophobicContact CB-CD1 4.14Å; Q1037-F1081 PolarHBondContact N-O 2.85Å; Q1037-F1081 VanDerWaalsContact N-O 3.17Å; Q1037-I1083 HydrophobicContact CG-CB 4.07Å; Q1037-I1083 HydrophobicContact CG-CD1 3.92Å; Q1037-I1083 HydrophobicContact CG-CG1 3.88Å; Q1037-I1083 PolarHBondContact NE2-O 3.13Å
1038	L	91.7	Very high	88.1	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-73.5	132.3	159.6	-171.7	65.6	0	0	0	109.6	L1017 P1019 W1061 H1065	L1017-L1038 HydrophobicContact CD2-CD1 4.08Å; L1017-L1038 HydrophobicContact CG-CD2 4.39Å; L1017-L1038 WeakPolarHBondContact O-CD2 3.2Å; P1019-L1038 HydrophobicContact CG-CD2 4.32Å; L1038-W1061 HydrophobicContact CB-CE3 4.33Å; L1038-W1061 HydrophobicContact CD2-CE3 4.16Å; L1038-W1061 HydrophobicContact CD2-CH2 4.33Å; L1038-W1061 HydrophobicContact CD2-CZ3 3.95Å; L1038-W1061 HydrophobicContact CG-CE3 3.87Å; L1038-W1061 HydrophobicContact CG-CZ3 3.76Å; L1038-H1065 WeakPolarHBondContact CB-NE2 3.49Å; L1038-H1065 PolarHBondContact N-NE2 3.03Å
1039	D	91.9	Very high	88.3	Confident	6 Å²	6	34.6 Å²	34.6	3%	0.032	18%	0.183	C	C	.	.			trans	-130.1	142.9	-173.2	59.1	-36.5	0	0	0	111.7	S985 Q1037 V1041 I1083 Q1085	S985-D1039 PolarHBondContact OG-OD1 2.63Å; Q1037-D1039 HydrophobicContact CG-CB 4.45Å; D1039-V1041 PolarHBondContact O-N 3.05Å; D1039-V1041 VanDerWaalsContact O-N 3.11Å; D1039-V1041 WeakPolarHBondContact OD2-CG2 3.46Å; D1039-I1083 HydrophobicContact CB-CB 4.48Å; D1039-I1083 HydrophobicContact CB-CD1 4.14Å; D1039-Q1085 PolarHBondContact OD2-NE2 3.04Å
1040	H	90.6	Very high	88.6	Confident	27 Å²	27	36.4 Å²	36.4	13%	0.125	20%	0.195	C	C	.	.			trans	-84.1	84.6	175	-177.4	-172.7	0	0	0	108.6	V999 V1042 A1054 R1057 S1058 W1061	V999-H1040 HydrophobicContact CG1-CB 4.41Å; H1040-V1042 PolarHBondContact O-N 3.38Å; H1040-A1054 HydrophobicContact CB-CB 4.25Å; H1040-A1054 WeakPolarHBondContact ND1-CA 3.3Å; H1040-A1054 WeakPolarHBondContact O-CB 3.34Å; H1040-R1057 HydrophobicContact CB-CB 4.35Å; H1040-R1057 HydrophobicContact CB-CG 4.28Å; H1040-R1057 PolarHBondContact CE1-NH1 3Å; H1040-R1057 PolarHBondContact ND1-NH1 3.01Å; H1040-S1058 PolarHBondContact N-OG 3.47Å; H1040-W1061 HydrophobicContact CB-CZ3 4.17Å
1041	V	86.7	Confident	88.7	Confident	14 Å²	14	36.9 Å²	36.9	9%	0.085	20%	0.198	C	C	.	.			trans	-74.6	125.7	178	-167.5	0	0	0	0	110.7	F988 D1039	F988-V1041 HydrophobicContact CB-CG2 4.29Å; F988-V1041 HydrophobicContact CD2-CB 4.2Å; F988-V1041 HydrophobicContact CD2-CG1 3.74Å; F988-V1041 HydrophobicContact CD2-CG2 4.45Å; F988-V1041 HydrophobicContact CE2-CG1 4.25Å; D1039-V1041 PolarHBondContact O-N 3.05Å; D1039-V1041 VanDerWaalsContact O-N 3.11Å; D1039-V1041 WeakPolarHBondContact OD2-CG2 3.46Å
1042	V	84.8	Confident	89.1	Confident	32 Å²	32	40 Å²	40	19%	0.194	20%	0.204	C	C	.	.			trans	-113	171.9	170	-67.4	0	0	0	0	110.7	H1040 T1046 M1051 A1054	H1040-V1042 PolarHBondContact O-N 3.38Å; V1042-T1046 HydrophobicContact CB-CG2 4.11Å; V1042-T1046 HydrophobicContact CG1-CG2 4.46Å; V1042-T1046 HydrophobicContact CG2-CG2 4.33Å; V1042-M1051 HydrophobicContact CG2-CE 3.64Å; V1042-M1051 HydrophobicContact CG2-SD 3.54Å; V1042-M1051 VanDerWaalsContact CG2-SD 3.54Å; V1042-A1054 HydrophobicContact CB-CB 4.44Å; V1042-A1054 HydrophobicContact CG1-CB 3.57Å; V1042-A1054 HydrophobicContact CG2-CB 3.99Å
1043	H	82.7	Confident	89.3	Confident	98 Å²	98	45.5 Å²	45.5	45%	0.454	23%	0.228	S	C	.	.			trans	-74.1	150.8	176.4	-168.2	-106.9	0	0	0	110.6	L1045 T1046 M1051	H1043-L1045 PolarHBondContact ND1-N 3.09Å; H1043-L1045 PolarHBondContact O-N 3.11Å; H1043-L1045 VanDerWaalsContact O-N 3.11Å; H1043-T1046 PolarHBondContact N-OG1 3.21Å; H1043-T1046 WeakPolarHBondContact O-CB 3.44Å; H1043-T1046 PolarHBondContact O-N 3.25Å; H1043-T1046 PolarHBondContact O-OG1 2.93Å; H1043-M1051 WeakPolarHBondContact O-CE 3.23Å
1044	V	79.8	Confident	89.3	Confident	15 Å²	15	45.5 Å²	45.5	9%	0.091	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-12.7	-177.2	-170.5	0	0	0	0	112.6	L1088 G1114 E1119	V1044-L1088 HydrophobicContact CG1-CD1 3.81Å; V1044-L1088 HydrophobicContact CG1-CD2 3.63Å; V1044-L1088 HydrophobicContact CG1-CG 3.48Å; V1044-L1088 VanDerWaalsContact CG1-CG 3.48Å; V1044-G1114 WeakPolarHBondContact CG2-O 3.48Å; V1044-E1119 HydrophobicContact CG1-CB 4.05Å
1045	L	79.1	Confident	89.4	Confident	110 Å²	110	46 Å²	46	58%	0.576	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.1	24	172.9	-49.9	177.2	0	0	0	112.7	H1043	H1043-L1045 PolarHBondContact ND1-N 3.09Å; H1043-L1045 PolarHBondContact O-N 3.11Å; H1043-L1045 VanDerWaalsContact O-N 3.11Å
1046	T	83.7	Confident	89.6	Confident	41 Å²	41	49.2 Å²	49.2	25%	0.252	25%	0.246	S	C	.	.	S	Bend	trans	-79.4	145.6	171.3	-72.8	0	0	0	0	110	V1042 H1043 S1050	V1042-T1046 HydrophobicContact CB-CG2 4.11Å; V1042-T1046 HydrophobicContact CG1-CG2 4.46Å; V1042-T1046 HydrophobicContact CG2-CG2 4.33Å; H1043-T1046 PolarHBondContact N-OG1 3.21Å; H1043-T1046 WeakPolarHBondContact O-CB 3.44Å; H1043-T1046 PolarHBondContact O-N 3.25Å; H1043-T1046 PolarHBondContact O-OG1 2.93Å; T1046-S1050 VanDerWaalsContact CG2-CB 3.43Å
1047	D	88.6	Confident	89.7	Confident	87 Å²	87	51.1 Å²	51.1	47%	0.465	25%	0.253	S	S	.	.			trans	-59.7	150.1	-177.5	72.4	92.4	0	0	0	113.5	K1049 S1050 M1051	D1047-K1049 PolarHBondContact O-N 3.15Å; D1047-K1049 VanDerWaalsContact O-N 3.12Å; D1047-K1049 WeakPolarHBondContact OD1-CA 3.45Å; D1047-K1049 WeakPolarHBondContact OD1-CB 3.32Å; D1047-K1049 PolarHBondContact OD1-N 3.01Å; D1047-K1049 VanDerWaalsContact OD1-N 3.13Å; D1047-S1050 VanDerWaalsContact CG-OG 3.3Å; D1047-S1050 CarbonylContact O-C 3.5Å; D1047-S1050 PolarHBondContact O-N 2.9Å; D1047-S1050 PolarHBondContact OD1-N 3.06Å; D1047-S1050 PolarHBondContact OD1-OG 3.07Å; D1047-S1050 WeakPolarHBondContact OD2-CB 3.3Å; D1047-S1050 PolarHBondContact OD2-OG 3.13Å; D1047-M1051 WeakPolarHBondContact O-CB 3.26Å; D1047-M1051 PolarHBondContact O-N 2.89Å
1048	D	89.1	Confident	89.8	Confident	110 Å²	110	51.1 Å²	51.1	59%	0.588	25%	0.253	S	S	*	.	H	α-helix	trans	-53.1	-36	-176	-59.6	-19.1	0	0	0	113.8	K1052 M1092	D1048-K1052 WeakPolarHBondContact O-CB 3.48Å; D1048-K1052 PolarHBondContact O-N 3.07Å; D1048-M1092 HydrophobicContact CB-CE 3.85Å
1049	K	91.6	Very high	90	Very high	152 Å²	152	51.7 Å²	51.7	66%	0.661	26%	0.256	S	S	*	.	H	α-helix	trans	-74.3	-38	-178.5	-173.8	177.4	-175.4	173.6	0	111.2	D1047 K1053	D1047-K1049 PolarHBondContact O-N 3.15Å; D1047-K1049 VanDerWaalsContact O-N 3.12Å; D1047-K1049 WeakPolarHBondContact OD1-CA 3.45Å; D1047-K1049 WeakPolarHBondContact OD1-CB 3.32Å; D1047-K1049 PolarHBondContact OD1-N 3.01Å; D1047-K1049 VanDerWaalsContact OD1-N 3.13Å; K1049-K1053 VanDerWaalsContact O-CG 3.25Å; K1049-K1053 WeakPolarHBondContact O-CG 3.45Å; K1049-K1053 PolarHBondContact O-N 3.41Å
1050	S	90.2	Very high	90.2	Very high	42 Å²	42	56 Å²	56	29%	0.294	27%	0.272	S	S	.	.	H	α-helix	trans	-74.7	-38.6	172.8	-60.6	0	0	0	0	112.2	T1046 D1047 K1053 A1054	T1046-S1050 VanDerWaalsContact CG2-CB 3.43Å; D1047-S1050 VanDerWaalsContact CG-OG 3.3Å; D1047-S1050 CarbonylContact O-C 3.5Å; D1047-S1050 PolarHBondContact O-N 2.9Å; D1047-S1050 PolarHBondContact OD1-N 3.06Å; D1047-S1050 PolarHBondContact OD1-OG 3.07Å; D1047-S1050 WeakPolarHBondContact OD2-CB 3.3Å; D1047-S1050 PolarHBondContact OD2-OG 3.13Å; S1050-K1053 PolarHBondContact O-N 3.31Å; S1050-A1054 WeakPolarHBondContact O-CB 3.07Å; S1050-A1054 PolarHBondContact O-N 3.28Å
1051	M	91.3	Very high	90.4	Very high	13 Å²	13	54.8 Å²	54.8	6%	0.064	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-48.7	173.2	-175.8	64.1	67.5	0	0	111	V1042 H1043 D1047 A1054 M1055 G1087 M1092	V1042-M1051 HydrophobicContact CG2-CE 3.64Å; V1042-M1051 HydrophobicContact CG2-SD 3.54Å; V1042-M1051 VanDerWaalsContact CG2-SD 3.54Å; H1043-M1051 WeakPolarHBondContact O-CE 3.23Å; D1047-M1051 WeakPolarHBondContact O-CB 3.26Å; D1047-M1051 PolarHBondContact O-N 2.89Å; M1051-A1054 PolarHBondContact O-N 2.74Å; M1051-M1055 WeakPolarHBondContact O-CB 3.48Å; M1051-M1055 PolarHBondContact O-N 3.07Å; M1051-G1087 PolarHBondContact SD-N 3.28Å; M1051-M1092 HydrophobicContact CG-SD 4.21Å
1052	K	94.4	Very high	90.8	Very high	89 Å²	89	54.1 Å²	54.1	39%	0.387	26%	0.262	S	S	.	.	H	α-helix	trans	-60.5	-48.3	175.8	-179.8	155.6	-178.5	156.5	0	112	D1048 A1054 M1055 E1056 M1092	D1048-K1052 WeakPolarHBondContact O-CB 3.48Å; D1048-K1052 PolarHBondContact O-N 3.07Å; K1052-A1054 PolarHBondContact O-N 3.36Å; K1052-M1055 HydrophobicContact CG-CE 4.38Å; K1052-M1055 PolarHBondContact O-N 2.87Å; K1052-E1056 WeakPolarHBondContact CE-OE1 3.38Å; K1052-E1056 HydrophobicContact CG-CG 4.22Å; K1052-E1056 VanDerWaalsContact CG-OE1 3.27Å; K1052-E1056 WeakPolarHBondContact CG-OE1 3.22Å; K1052-E1056 WeakPolarHBondContact O-CB 2.99Å; K1052-E1056 VanDerWaalsContact O-CG 3.28Å; K1052-E1056 WeakPolarHBondContact O-CG 3.27Å; K1052-E1056 PolarHBondContact O-N 2.81Å; K1052-M1092 HydrophobicContact CB-CE 4.33Å; K1052-M1092 HydrophobicContact CB-SD 3.89Å
1053	K	94.4	Very high	91.2	Very high	116 Å²	116	55.4 Å²	55.4	50%	0.504	27%	0.268	S	S	.	.	H	α-helix	trans	-55.6	-37.6	173.9	-78.1	171.5	175.9	-175.6	0	113	K1049 S1050 R1057	K1049-K1053 VanDerWaalsContact O-CG 3.25Å; K1049-K1053 WeakPolarHBondContact O-CG 3.45Å; K1049-K1053 PolarHBondContact O-N 3.41Å; S1050-K1053 PolarHBondContact O-N 3.31Å; K1053-R1057 VanDerWaalsContact O-CB 3.24Å; K1053-R1057 WeakPolarHBondContact O-CB 3.38Å; K1053-R1057 PolarHBondContact O-N 2.96Å
1054	A	92.9	Very high	91.7	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-74	-40.6	-179.9	0	0	0	0	0	112.7	H1040 V1042 S1050 M1051 K1052 S1058	H1040-A1054 HydrophobicContact CB-CB 4.25Å; H1040-A1054 WeakPolarHBondContact ND1-CA 3.3Å; H1040-A1054 WeakPolarHBondContact O-CB 3.34Å; V1042-A1054 HydrophobicContact CB-CB 4.44Å; V1042-A1054 HydrophobicContact CG1-CB 3.57Å; V1042-A1054 HydrophobicContact CG2-CB 3.99Å; S1050-A1054 WeakPolarHBondContact O-CB 3.07Å; S1050-A1054 PolarHBondContact O-N 3.28Å; M1051-A1054 PolarHBondContact O-N 2.74Å; K1052-A1054 PolarHBondContact O-N 3.36Å; A1054-S1058 WeakPolarHBondContact O-CB 3.27Å; A1054-S1058 PolarHBondContact O-N 2.89Å; A1054-S1058 PolarHBondContact O-OG 3.35Å
1055	M	94.9	Very high	92.1	Very high	9 Å²	9	53 Å²	53	4%	0.044	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-52	171.5	177.5	-87.4	-77.4	0	0	111.3	M1051 K1052 R1057 S1058 V1059 Q1085 M1092 D1095 C1096	M1051-M1055 WeakPolarHBondContact O-CB 3.48Å; M1051-M1055 PolarHBondContact O-N 3.07Å; K1052-M1055 HydrophobicContact CG-CE 4.38Å; K1052-M1055 PolarHBondContact O-N 2.87Å; M1055-R1057 PolarHBondContact O-N 3.35Å; M1055-S1058 WeakPolarHBondContact O-CB 3.48Å; M1055-S1058 PolarHBondContact O-N 3.01Å; M1055-S1058 VanDerWaalsContact O-N 3.13Å; M1055-V1059 PolarHBondContact O-N 3.18Å; M1055-V1059 VanDerWaalsContact O-N 3.11Å; M1055-Q1085 HydrophobicContact CB-CB 4.13Å; M1055-Q1085 HydrophobicContact CG-CB 4.23Å; M1055-M1092 HydrophobicContact CE-CB 4.12Å; M1055-M1092 HydrophobicContact CE-CG 4.46Å; M1055-D1095 HydrophobicContact CE-CB 4.39Å; M1055-C1096 HydrophobicContact CG-CB 3.57Å; M1055-C1096 HydrophobicContact SD-CB 3.96Å
1056	E	96.5	Very high	92.4	Very high	71 Å²	71	48.4 Å²	48.4	33%	0.332	23%	0.23	S	C	.	.	H	α-helix	trans	-60.5	-41.3	177.3	-69.7	172.1	-179.1	0	0	112.7	K1052 S1058 V1059 R1060	K1052-E1056 WeakPolarHBondContact CE-OE1 3.38Å; K1052-E1056 HydrophobicContact CG-CG 4.22Å; K1052-E1056 VanDerWaalsContact CG-OE1 3.27Å; K1052-E1056 WeakPolarHBondContact CG-OE1 3.22Å; K1052-E1056 WeakPolarHBondContact O-CB 2.99Å; K1052-E1056 VanDerWaalsContact O-CG 3.28Å; K1052-E1056 WeakPolarHBondContact O-CG 3.27Å; K1052-E1056 PolarHBondContact O-N 2.81Å; E1056-S1058 VanDerWaalsContact C-N 3.34Å; E1056-V1059 PolarHBondContact O-N 3.15Å; E1056-R1060 PolarHBondContact O-N 3.11Å; E1056-R1060 VanDerWaalsContact O-N 3.09Å
1057	R	95.3	Very high	92.2	Very high	41 Å²	41	49.1 Å²	49.1	16%	0.155	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-40.4	174.7	179.7	171.7	-64.9	160.6	-8.1	111.8	V999 T1000 E1001 H1040 K1053 M1055 V1059 R1060 W1061	V999-R1057 PolarHBondContact O-NH1 2.94Å; T1000-R1057 WeakPolarHBondContact O-CD 3.28Å; T1000-R1057 PolarHBondContact O-NE 3.42Å; T1000-R1057 PolarHBondContact O-NH1 2.93Å; E1001-R1057 IonicContact OE2-CZ 2.73Å; E1001-R1057 VanDerWaalsContact OE2-CZ 3.28Å; E1001-R1057 IonicContact OE2-NE 2.6Å; E1001-R1057 PolarHBondContact OE2-NE 3.29Å; E1001-R1057 IonicContact OE2-NH2 2.91Å; E1001-R1057 PolarHBondContact OE2-NH2 3.14Å; H1040-R1057 HydrophobicContact CB-CB 4.35Å; H1040-R1057 HydrophobicContact CB-CG 4.28Å; H1040-R1057 PolarHBondContact CE1-NH1 3Å; H1040-R1057 PolarHBondContact ND1-NH1 3.01Å; K1053-R1057 VanDerWaalsContact O-CB 3.24Å; K1053-R1057 WeakPolarHBondContact O-CB 3.38Å; K1053-R1057 PolarHBondContact O-N 2.96Å; M1055-R1057 PolarHBondContact O-N 3.35Å; R1057-V1059 VanDerWaalsContact C-N 3.26Å; R1057-V1059 PolarHBondContact O-N 3.43Å; R1057-R1060 PolarHBondContact O-N 3.32Å; R1057-R1060 VanDerWaalsContact O-N 3.16Å; R1057-W1061 HydrophobicContact CG-CD2 3.9Å; R1057-W1061 HydrophobicContact CG-CE3 4.47Å; R1057-W1061 HydrophobicContact CG-CG 4.21Å; R1057-W1061 HydrophobicContact CG-CZ2 4.07Å; R1057-W1061 WeakPolarHBondContact O-CB 3.4Å; R1057-W1061 PolarHBondContact O-N 3.24Å
1058	S	95.1	Very high	91.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.1	-32.9	178.1	-57.9	0	0	0	0	111.9	H1040 A1054 M1055 E1056 L1062	H1040-S1058 PolarHBondContact N-OG 3.47Å; A1054-S1058 WeakPolarHBondContact O-CB 3.27Å; A1054-S1058 PolarHBondContact O-N 2.89Å; A1054-S1058 PolarHBondContact O-OG 3.35Å; M1055-S1058 WeakPolarHBondContact O-CB 3.48Å; M1055-S1058 PolarHBondContact O-N 3.01Å; M1055-S1058 VanDerWaalsContact O-N 3.13Å; E1056-S1058 VanDerWaalsContact C-N 3.34Å; S1058-L1062 WeakPolarHBondContact O-CB 3.34Å; S1058-L1062 PolarHBondContact O-N 3.2Å
1059	V	96.2	Very high	90.1	Very high	11 Å²	11	42 Å²	42	7%	0.067	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-46.3	170.2	174.5	0	0	0	0	111.5	M1055 E1056 R1057 W1061 L1062 D1063 E1099 M1100	M1055-V1059 PolarHBondContact O-N 3.18Å; M1055-V1059 VanDerWaalsContact O-N 3.11Å; E1056-V1059 PolarHBondContact O-N 3.15Å; R1057-V1059 VanDerWaalsContact C-N 3.26Å; R1057-V1059 PolarHBondContact O-N 3.43Å; V1059-W1061 VanDerWaalsContact C-N 3.33Å; V1059-W1061 PolarHBondContact O-N 2.86Å; V1059-L1062 WeakPolarHBondContact O-CB 3.34Å; V1059-L1062 PolarHBondContact O-N 3.12Å; V1059-D1063 PolarHBondContact O-N 3.45Å; V1059-D1063 VanDerWaalsContact O-N 3.1Å; V1059-E1099 HydrophobicContact CG1-CB 3.92Å; V1059-E1099 HydrophobicContact CG1-CG 4.39Å; V1059-E1099 HydrophobicContact CG2-CB 3.91Å; V1059-M1100 HydrophobicContact CG2-CE 4.07Å
1060	R	96.3	Very high	88.5	Confident	98 Å²	98	37.3 Å²	37.3	37%	0.37	19%	0.188	S	C	.	.	H	α-helix	trans	-67	-31.6	178.1	-65.8	-173.3	-58.4	-93.4	0.9	113.3	E1001 E1056 R1057 D1063 R1064	E1001-R1060 VanDerWaalsContact CD-NH2 3.25Å; E1001-R1060 IonicContact OE1-CZ 3.31Å; E1001-R1060 VanDerWaalsContact OE1-CZ 3.23Å; E1001-R1060 IonicContact OE1-NE 2.75Å; E1001-R1060 PolarHBondContact OE1-NE 3.33Å; E1001-R1060 IonicContact OE1-NH2 3.72Å; E1001-R1060 PolarHBondContact OE1-NH2 2.98Å; E1001-R1060 IonicContact OE2-CZ 3.38Å; E1001-R1060 IonicContact OE2-NH2 3.91Å; E1001-R1060 PolarHBondContact OE2-NH2 3.16Å; E1056-R1060 PolarHBondContact O-N 3.11Å; E1056-R1060 VanDerWaalsContact O-N 3.09Å; R1057-R1060 PolarHBondContact O-N 3.32Å; R1057-R1060 VanDerWaalsContact O-N 3.16Å; R1060-D1063 PolarHBondContact O-N 2.99Å; R1060-R1064 PolarHBondContact O-N 2.95Å
1061	W	95.1	Very high	86.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-71	-35.4	172.1	-74.4	1.6	0	0	0	111.9	V999 E1001 V1004 P1019 L1038 H1040 R1057 V1059 D1063 R1064 H1065	V999-W1061 HydrophobicContact CG1-CH2 3.6Å; V999-W1061 HydrophobicContact CG1-CZ2 4.15Å; V999-W1061 HydrophobicContact CG1-CZ3 4.49Å; E1001-W1061 PolarHBondContact O-NE1 3.11Å; V1004-W1061 HydrophobicContact CG2-CH2 3.81Å; V1004-W1061 HydrophobicContact CG2-CZ3 4.18Å; P1019-W1061 HydrophobicContact CG-CB 3.86Å; P1019-W1061 HydrophobicContact CG-CD2 4.07Å; P1019-W1061 HydrophobicContact CG-CG 3.66Å; L1038-W1061 HydrophobicContact CB-CE3 4.33Å; L1038-W1061 HydrophobicContact CD2-CE3 4.16Å; L1038-W1061 HydrophobicContact CD2-CH2 4.33Å; L1038-W1061 HydrophobicContact CD2-CZ3 3.95Å; L1038-W1061 HydrophobicContact CG-CE3 3.87Å; L1038-W1061 HydrophobicContact CG-CZ3 3.76Å; H1040-W1061 HydrophobicContact CB-CZ3 4.17Å; R1057-W1061 HydrophobicContact CG-CD2 3.9Å; R1057-W1061 HydrophobicContact CG-CE3 4.47Å; R1057-W1061 HydrophobicContact CG-CG 4.21Å; R1057-W1061 HydrophobicContact CG-CZ2 4.07Å; R1057-W1061 WeakPolarHBondContact O-CB 3.4Å; R1057-W1061 PolarHBondContact O-N 3.24Å; V1059-W1061 VanDerWaalsContact C-N 3.33Å; V1059-W1061 PolarHBondContact O-N 2.86Å; W1061-D1063 VanDerWaalsContact C-N 3.35Å; W1061-D1063 PolarHBondContact O-N 2.88Å; W1061-R1064 WeakPolarHBondContact O-CB 3.41Å; W1061-R1064 PolarHBondContact O-N 3.19Å; W1061-H1065 PolarHBondContact O-CD2 3.44Å; W1061-H1065 PolarHBondContact O-N 2.94Å
1062	L	94.6	Very high	84.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-41.9	170.3	-177.2	58.7	0	0	0	112.1	Q1037 S1058 V1059 R1064 H1065 V1066 L1080 A1082 M1100 L1107	Q1037-L1062 HydrophobicContact CB-CD1 4.14Å; S1058-L1062 WeakPolarHBondContact O-CB 3.34Å; S1058-L1062 PolarHBondContact O-N 3.2Å; V1059-L1062 WeakPolarHBondContact O-CB 3.34Å; V1059-L1062 PolarHBondContact O-N 3.12Å; L1062-R1064 VanDerWaalsContact C-N 3.29Å; L1062-R1064 PolarHBondContact O-N 2.82Å; L1062-H1065 WeakPolarHBondContact O-CB 3.45Å; L1062-H1065 PolarHBondContact O-N 2.92Å; L1062-H1065 VanDerWaalsContact O-N 3.1Å; L1062-V1066 HydrophobicContact CD1-CG2 4.16Å; L1062-V1066 HydrophobicContact CG-CG2 4.25Å; L1062-V1066 WeakPolarHBondContact O-CB 3.39Å; L1062-V1066 VanDerWaalsContact O-CG2 3.29Å; L1062-V1066 WeakPolarHBondContact O-CG2 3.5Å; L1062-V1066 PolarHBondContact O-N 2.79Å; L1062-L1080 HydrophobicContact CD1-CD2 4.25Å; L1062-A1082 HydrophobicContact CD1-CB 4.19Å; L1062-A1082 HydrophobicContact CD2-CB 3.69Å; L1062-M1100 HydrophobicContact CD2-CB 4.24Å; L1062-M1100 HydrophobicContact CD2-CE 4.44Å; L1062-M1100 HydrophobicContact CD2-CG 3.74Å; L1062-M1100 HydrophobicContact CD2-SD 4.45Å; L1062-L1107 HydrophobicContact CD1-CD2 3.88Å; L1062-L1107 HydrophobicContact CD2-CD1 4.23Å
1063	D	93.4	Very high	82.5	Confident	60 Å²	60	45.5 Å²	45.5	32%	0.321	23%	0.229	S	C	.	.	H	α-helix	trans	-59.8	-39	175.7	-67.7	-40.2	0	0	0	112.5	V1059 R1060 W1061 V1066 S1067 R1103	V1059-D1063 PolarHBondContact O-N 3.45Å; V1059-D1063 VanDerWaalsContact O-N 3.1Å; R1060-D1063 PolarHBondContact O-N 2.99Å; W1061-D1063 VanDerWaalsContact C-N 3.35Å; W1061-D1063 PolarHBondContact O-N 2.88Å; D1063-V1066 PolarHBondContact O-N 3.02Å; D1063-S1067 PolarHBondContact O-N 3.46Å; D1063-R1103 VanDerWaalsContact CG-NH2 3.3Å; D1063-R1103 IonicContact OD1-CZ 2.73Å; D1063-R1103 VanDerWaalsContact OD1-CZ 3.31Å; D1063-R1103 IonicContact OD1-NE 2.7Å; D1063-R1103 PolarHBondContact OD1-NE 3.43Å; D1063-R1103 IonicContact OD1-NH2 2.65Å; D1063-R1103 PolarHBondContact OD1-NH2 3.33Å; D1063-R1103 IonicContact OD2-CZ 2.75Å; D1063-R1103 IonicContact OD2-NE 3.11Å; D1063-R1103 IonicContact OD2-NH2 2.72Å; D1063-R1103 PolarHBondContact OD2-NH2 2.8Å
1064	R	92.9	Very high	79.9	Confident	61 Å²	61	49.4 Å²	49.4	23%	0.23	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-40.5	173.3	-68.7	165.2	67.5	-179.9	2.7	111.8	E1001 E1002 P1019 E1020 R1060 W1061 L1062 S1067 I1068	E1001-R1064 PolarHBondContact O-NH1 2.65Å; E1002-R1064 PolarHBondContact O-NH1 3.27Å; E1002-R1064 PolarHBondContact O-NH2 3.4Å; P1019-R1064 HydrophobicContact CB-CB 3.9Å; P1019-R1064 HydrophobicContact CG-CB 4.42Å; E1020-R1064 VanDerWaalsContact CD-NH2 3.34Å; E1020-R1064 IonicContact OE1-CZ 2.67Å; E1020-R1064 IonicContact OE1-NE 3.96Å; E1020-R1064 PolarHBondContact OE1-NE 2.63Å; E1020-R1064 IonicContact OE1-NH2 2.92Å; E1020-R1064 PolarHBondContact OE1-NH2 2.85Å; E1020-R1064 IonicContact OE2-CZ 3.15Å; E1020-R1064 IonicContact OE2-NE 2.75Å; E1020-R1064 IonicContact OE2-NH2 3.28Å; E1020-R1064 PolarHBondContact OE2-NH2 2.91Å; R1060-R1064 PolarHBondContact O-N 2.95Å; W1061-R1064 WeakPolarHBondContact O-CB 3.41Å; W1061-R1064 PolarHBondContact O-N 3.19Å; L1062-R1064 VanDerWaalsContact C-N 3.29Å; L1062-R1064 PolarHBondContact O-N 2.82Å; R1064-S1067 PolarHBondContact O-OG 2.79Å; R1064-I1068 WeakPolarHBondContact O-CD1 3.43Å; R1064-I1068 WeakPolarHBondContact O-CG1 3.36Å; R1064-I1068 PolarHBondContact O-N 3.47Å
1065	H	89	Confident	77.8	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.4	-45.5	172.7	-69.6	-60	0	0	0	112.7	P1019 V1023 L1038 W1061 L1062 S1067 I1068 T1069 L1080	P1019-H1065 WeakPolarHBondContact CA-CE1 3.48Å; P1019-H1065 PolarHBondContact O-CE1 3.35Å; P1019-H1065 PolarHBondContact O-ND1 3.26Å; V1023-H1065 WeakPolarHBondContact CB-ND1 3.29Å; V1023-H1065 VanDerWaalsContact CG2-CE1 3.41Å; V1023-H1065 WeakPolarHBondContact CG2-CE1 3.4Å; V1023-H1065 WeakPolarHBondContact CG2-ND1 3.45Å; L1038-H1065 WeakPolarHBondContact CB-NE2 3.49Å; L1038-H1065 PolarHBondContact N-NE2 3.03Å; W1061-H1065 PolarHBondContact O-CD2 3.44Å; W1061-H1065 PolarHBondContact O-N 2.94Å; L1062-H1065 WeakPolarHBondContact O-CB 3.45Å; L1062-H1065 PolarHBondContact O-N 2.92Å; L1062-H1065 VanDerWaalsContact O-N 3.1Å; H1065-S1067 VanDerWaalsContact C-N 3.33Å; H1065-S1067 PolarHBondContact O-N 2.98Å; H1065-I1068 PolarHBondContact O-N 3.38Å; H1065-T1069 PolarHBondContact O-N 3.34Å; H1065-T1069 PolarHBondContact O-OG1 3.46Å; H1065-T1069 VanDerWaalsContact O-OG1 3.1Å; H1065-L1080 HydrophobicContact CB-CD1 4.34Å; H1065-L1080 HydrophobicContact CB-CD2 3.85Å
1066	V	85	Confident	76	Confident	14 Å²	14	58.2 Å²	58.2	9%	0.085	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-37.8	-177.9	167	0	0	0	0	111.8	L1062 D1063 T1069 A1070 L1080 K1106 L1107	L1062-V1066 HydrophobicContact CD1-CG2 4.16Å; L1062-V1066 HydrophobicContact CG-CG2 4.25Å; L1062-V1066 WeakPolarHBondContact O-CB 3.39Å; L1062-V1066 VanDerWaalsContact O-CG2 3.29Å; L1062-V1066 WeakPolarHBondContact O-CG2 3.5Å; L1062-V1066 PolarHBondContact O-N 2.79Å; D1063-V1066 PolarHBondContact O-N 3.02Å; V1066-T1069 WeakPolarHBondContact CA-OG1 3.48Å; V1066-T1069 PolarHBondContact O-OG1 3.25Å; V1066-A1070 VanDerWaalsContact O-CB 3.25Å; V1066-A1070 WeakPolarHBondContact O-CB 3.28Å; V1066-A1070 PolarHBondContact O-N 2.93Å; V1066-L1080 HydrophobicContact CG2-CD2 4.1Å; V1066-K1106 HydrophobicContact CG1-CB 3.91Å; V1066-K1106 HydrophobicContact CG1-CD 3.43Å; V1066-K1106 VanDerWaalsContact CG1-CD 3.43Å; V1066-K1106 HydrophobicContact CG1-CG 4.22Å; V1066-L1107 HydrophobicContact CG2-CD2 4.33Å
1067	S	78.7	Confident	75.1	Confident	56 Å²	56	58.1 Å²	58.1	39%	0.392	29%	0.294	S	S	.	.	H	α-helix	trans	-66.9	-45.5	173.9	68.3	0	0	0	0	112	D1063 R1064 H1065 T1069 A1070 H1071	D1063-S1067 PolarHBondContact O-N 3.46Å; R1064-S1067 PolarHBondContact O-OG 2.79Å; H1065-S1067 VanDerWaalsContact C-N 3.33Å; H1065-S1067 PolarHBondContact O-N 2.98Å; S1067-T1069 VanDerWaalsContact C-N 3.35Å; S1067-T1069 PolarHBondContact O-N 3.45Å; S1067-A1070 PolarHBondContact O-N 2.82Å; S1067-H1071 PolarHBondContact O-CD2 2.92Å; S1067-H1071 PolarHBondContact O-N 3.45Å
1068	I	71.5	Confident	74.7	Confident	25 Å²	25	57.7 Å²	57.7	13%	0.128	29%	0.294	C	S	.	.	H	α-helix	trans	-59.1	-45.4	176.6	-59.3	154.2	0	0	0	111.2	E1020 R1064 H1065 H1071 K1072	E1020-I1068 HydrophobicContact CB-CD1 4.16Å; E1020-I1068 HydrophobicContact CG-CD1 3.96Å; R1064-I1068 WeakPolarHBondContact O-CD1 3.43Å; R1064-I1068 WeakPolarHBondContact O-CG1 3.36Å; R1064-I1068 PolarHBondContact O-N 3.47Å; H1065-I1068 PolarHBondContact O-N 3.38Å; I1068-H1071 PolarHBondContact O-N 3.34Å; I1068-K1072 HydrophobicContact CG2-CD 4.3Å; I1068-K1072 WeakPolarHBondContact O-CG 3.44Å; I1068-K1072 PolarHBondContact O-N 3.38Å
1069	T	63.5	Low	74.5	Confident	24 Å²	24	58.1 Å²	58.1	15%	0.147	30%	0.296	C	S	.	.	H	α-helix	trans	-70.2	-37.6	-179.4	51.5	0	0	0	0	111.7	V1023 H1065 V1066 S1067 H1071 K1072 S1073 L1080	V1023-T1069 HydrophobicContact CG1-CG2 4.2Å; H1065-T1069 PolarHBondContact O-N 3.34Å; H1065-T1069 PolarHBondContact O-OG1 3.46Å; H1065-T1069 VanDerWaalsContact O-OG1 3.1Å; V1066-T1069 WeakPolarHBondContact CA-OG1 3.48Å; V1066-T1069 PolarHBondContact O-OG1 3.25Å; S1067-T1069 VanDerWaalsContact C-N 3.35Å; S1067-T1069 PolarHBondContact O-N 3.45Å; T1069-H1071 VanDerWaalsContact C-N 3.27Å; T1069-H1071 PolarHBondContact O-N 2.71Å; T1069-K1072 CarbonylContact O-C 3.49Å; T1069-K1072 PolarHBondContact O-N 3.07Å; T1069-S1073 WeakPolarHBondContact O-CA 3.49Å; T1069-S1073 VanDerWaalsContact O-CB 3.31Å; T1069-S1073 WeakPolarHBondContact O-CB 3.49Å; T1069-S1073 PolarHBondContact O-N 2.8Å; T1069-L1080 HydrophobicContact CG2-CB 4.42Å; T1069-L1080 HydrophobicContact CG2-CD2 4.18Å
1070	A	56.9	Low	74.3	Confident	52 Å²	52	58 Å²	58	43%	0.43	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-31.6	173.6	0	0	0	0	0	112.8	V1066 S1067 K1072 S1073	V1066-A1070 VanDerWaalsContact O-CB 3.25Å; V1066-A1070 WeakPolarHBondContact O-CB 3.28Å; V1066-A1070 PolarHBondContact O-N 2.93Å; S1067-A1070 PolarHBondContact O-N 2.82Å; A1070-K1072 VanDerWaalsContact C-N 3.3Å; A1070-S1073 PolarHBondContact O-OG 3.03Å
1071	H	48.4	Very low	74.2	Confident	167 Å²	167	53.3 Å²	53.3	77%	0.773	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-6	172.4	-68.3	-53.9	0	0	0	114.3	S1067 I1068 T1069	S1067-H1071 PolarHBondContact O-CD2 2.92Å; S1067-H1071 PolarHBondContact O-N 3.45Å; I1068-H1071 PolarHBondContact O-N 3.34Å; T1069-H1071 VanDerWaalsContact C-N 3.27Å; T1069-H1071 PolarHBondContact O-N 2.71Å
1072	K	56.8	Low	74.2	Confident	83 Å²	83	53.3 Å²	53.3	36%	0.361	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-1.7	-178.7	-68.5	-171	176.9	-167.1	0	114.8	G1024 I1068 T1069 A1070 Q1074 E1075 S1076	G1024-K1072 PolarHBondContact O-NZ 2.69Å; I1068-K1072 HydrophobicContact CG2-CD 4.3Å; I1068-K1072 WeakPolarHBondContact O-CG 3.44Å; I1068-K1072 PolarHBondContact O-N 3.38Å; T1069-K1072 CarbonylContact O-C 3.49Å; T1069-K1072 PolarHBondContact O-N 3.07Å; A1070-K1072 VanDerWaalsContact C-N 3.3Å; K1072-Q1074 PolarHBondContact O-N 2.77Å; K1072-E1075 PolarHBondContact O-N 3.01Å; K1072-S1076 PolarHBondContact O-N 2.81Å; K1072-S1076 PolarHBondContact O-OG 2.81Å
1073	S	45.9	Very low	74.3	Confident	67 Å²	67	53.3 Å²	53.3	47%	0.469	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-6.3	-170.9	55.9	0	0	0	0	115.3	T1069 A1070	T1069-S1073 WeakPolarHBondContact O-CA 3.49Å; T1069-S1073 VanDerWaalsContact O-CB 3.31Å; T1069-S1073 WeakPolarHBondContact O-CB 3.49Å; T1069-S1073 PolarHBondContact O-N 2.8Å; A1070-S1073 PolarHBondContact O-OG 3.03Å
1074	Q	38.7	Very low	74.4	Confident	198 Å²	198	50.4 Å²	50.4	93%	0.925	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-14.1	168.2	-69.7	-176.2	-30.3	0	0	113.3	K1072	K1072-Q1074 PolarHBondContact O-N 2.77Å
1075	E	50	Low	74.4	Confident	172 Å²	172	47.8 Å²	47.8	80%	0.804	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	-32.9	-177.4	-61.1	-170.6	153.4	0	0	113.8	K1072 N1077	K1072-E1075 PolarHBondContact O-N 3.01Å; E1075-N1077 PolarHBondContact O-N 3.25Å
1076	S	56.8	Low	74.5	Confident	23 Å²	23	47.8 Å²	47.8	16%	0.161	25%	0.252	C	S	.	.			trans	-91.8	103.6	-174.2	63.5	0	0	0	0	113	K1072 Q1078	K1072-S1076 PolarHBondContact O-N 2.81Å; K1072-S1076 PolarHBondContact O-OG 2.81Å; S1076-Q1078 PolarHBondContact O-N 3.16Å
1077	N	76.6	Confident	74.7	Confident	68 Å²	68	47.1 Å²	47.1	36%	0.364	25%	0.249	S	C	.	.			trans	-71.7	58.7	165.7	-67.6	-21.1	0	0	0	111.1	P912 E1075	P912-N1077 HydrophobicContact CB-CB 4.28Å; P912-N1077 HydrophobicContact CG-CB 3.84Å; E1075-N1077 PolarHBondContact O-N 3.25Å
1078	Q	87	Confident	75.3	Confident	32 Å²	32	46.6 Å²	46.6	15%	0.15	24%	0.241	C	C	.	.			trans	-141.6	134.2	-172.9	-60.8	-169.5	-105.9	0	0	111.1	Q1027 N1028 S1032 V1035 S1076	Q1027-Q1078 PolarHBondContact O-NE2 2.92Å; N1028-Q1078 PolarHBondContact OD1-OE1 3.37Å; S1032-Q1078 VanDerWaalsContact N-NE2 3.12Å; S1032-Q1078 WeakPolarHBondContact O-CG 3.17Å; S1032-Q1078 PolarHBondContact O-NE2 3.37Å; V1035-Q1078 HydrophobicContact CG1-CB 4.02Å; V1035-Q1078 VanDerWaalsContact CG1-NE2 3.33Å; S1076-Q1078 PolarHBondContact O-N 3.16Å
1079	N	90.3	Very high	76.3	Confident	9 Å²	9	47.7 Å²	47.7	5%	0.048	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	108.5	-165.5	-67.5	-78.5	0	0	0	111.1	L891 D1033 I1034 V1035 A1108	L891-N1079 HydrophobicContact CB-CB 4.35Å; L891-N1079 WeakPolarHBondContact CB-OD1 3.15Å; L891-N1079 HydrophobicContact CD1-CB 4.17Å; L891-N1079 PolarHBondContact N-OD1 2.72Å; L891-N1079 VanDerWaalsContact N-OD1 3.09Å; D1033-N1079 VanDerWaalsContact O-CB 3.28Å; D1033-N1079 WeakPolarHBondContact O-CB 3.14Å; D1033-N1079 PolarHBondContact O-N 3.5Å; D1033-N1079 PolarHBondContact O-ND2 3.5Å; I1034-N1079 HydrophobicContact CG1-CB 4.39Å; V1035-N1079 PolarHBondContact N-O 2.92Å; N1079-A1108 HydrophobicContact CB-CB 3.59Å
1080	L	92.1	Very high	77.8	Confident	8 Å²	8	50 Å²	50	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	126	-180	-178.6	63.7	0	0	0	111.4	V1023 V1035 L1062 H1065 V1066 T1069 L1107 A1108	V1023-L1080 HydrophobicContact CG2-CD1 4.49Å; V1035-L1080 HydrophobicContact CG2-CD1 4.2Å; V1035-L1080 CarbonylContact O-C 3.55Å; V1035-L1080 WeakPolarHBondContact O-CA 3.38Å; L1062-L1080 HydrophobicContact CD1-CD2 4.25Å; H1065-L1080 HydrophobicContact CB-CD1 4.34Å; H1065-L1080 HydrophobicContact CB-CD2 3.85Å; V1066-L1080 HydrophobicContact CG2-CD2 4.1Å; T1069-L1080 HydrophobicContact CG2-CB 4.42Å; T1069-L1080 HydrophobicContact CG2-CD2 4.18Å; L1080-L1107 HydrophobicContact CD2-CD2 4.07Å; L1080-L1107 HydrophobicContact CG-CD2 4.1Å; L1080-A1108 PolarHBondContact O-N 2.84Å
1081	F	95	Very high	79.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.8	171.4	-83.4	41.3	0	0	0	110.5	L891 I1034 V1035 M1036 Q1037 A1108 G1109 P1140 M1162	L891-F1081 HydrophobicContact CD1-CE1 4Å; L891-F1081 HydrophobicContact CD1-CZ 4.35Å; I1034-F1081 HydrophobicContact CD1-CE1 4.12Å; I1034-F1081 HydrophobicContact CD1-CZ 3.9Å; I1034-F1081 HydrophobicContact CG1-CE1 4.21Å; I1034-F1081 HydrophobicContact CG1-CZ 4.48Å; I1034-F1081 HydrophobicContact CG2-CB 4.49Å; I1034-F1081 HydrophobicContact CG2-CD1 3.52Å; I1034-F1081 HydrophobicContact CG2-CD2 4.24Å; I1034-F1081 HydrophobicContact CG2-CE1 3.62Å; I1034-F1081 HydrophobicContact CG2-CE2 4.32Å; I1034-F1081 HydrophobicContact CG2-CG 3.85Å; I1034-F1081 HydrophobicContact CG2-CZ 4.01Å; V1035-F1081 PolarHBondContact O-N 3.24Å; M1036-F1081 HydrophobicContact CE-CB 3.64Å; M1036-F1081 HydrophobicContact SD-CB 3.61Å; M1036-F1081 HydrophobicContact SD-CD2 4.38Å; M1036-F1081 HydrophobicContact SD-CG 4.27Å; Q1037-F1081 PolarHBondContact N-O 2.85Å; Q1037-F1081 VanDerWaalsContact N-O 3.17Å; F1081-A1108 HydrophobicContact CD1-CB 4.31Å; F1081-A1108 HydrophobicContact CE1-CB 4.17Å; F1081-G1109 WeakPolarHBondContact CA-O 3.36Å; F1081-P1140 HydrophobicContact CE1-CG 4.34Å; F1081-P1140 HydrophobicContact CE2-CB 4.47Å; F1081-P1140 HydrophobicContact CE2-CG 3.93Å; F1081-P1140 HydrophobicContact CZ-CB 4.35Å; F1081-P1140 HydrophobicContact CZ-CG 3.48Å; F1081-P1140 VanDerWaalsContact CZ-CG 3.48Å; F1081-M1162 HydrophobicContact CE2-CE 4.32Å; F1081-M1162 HydrophobicContact CE2-SD 3.9Å; F1081-M1162 HydrophobicContact CZ-SD 4.18Å
1082	A	95.5	Very high	81.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	155.9	170.4	0	0	0	0	0	111.5	L1062 M1100 L1107 G1109 F1110 A1111	L1062-A1082 HydrophobicContact CD1-CB 4.19Å; L1062-A1082 HydrophobicContact CD2-CB 3.69Å; A1082-M1100 HydrophobicContact CB-CB 4.5Å; A1082-M1100 HydrophobicContact CB-CG 4.43Å; A1082-M1100 HydrophobicContact CB-SD 3.99Å; A1082-L1107 HydrophobicContact CB-CD1 3.93Å; A1082-L1107 HydrophobicContact CB-CD2 4.27Å; A1082-G1109 PolarHBondContact N-O 3.31Å; A1082-F1110 HydrophobicContact CB-CD1 4.05Å; A1082-F1110 HydrophobicContact CB-CE1 4.31Å; A1082-A1111 PolarHBondContact O-N 3.32Å
1083	I	95.6	Very high	83.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	109.5	175.3	-57.3	164.8	0	0	0	109.1	M1036 Q1037 D1039 M1100 A1111 M1144	M1036-I1083 HydrophobicContact CB-CD1 4.31Å; M1036-I1083 HydrophobicContact CE-CD1 3.91Å; M1036-I1083 HydrophobicContact CE-CG1 3.37Å; Q1037-I1083 HydrophobicContact CG-CB 4.07Å; Q1037-I1083 HydrophobicContact CG-CD1 3.92Å; Q1037-I1083 HydrophobicContact CG-CG1 3.88Å; Q1037-I1083 PolarHBondContact NE2-O 3.13Å; D1039-I1083 HydrophobicContact CB-CB 4.48Å; D1039-I1083 HydrophobicContact CB-CD1 4.14Å; I1083-M1100 VanDerWaalsContact O-CE 3.25Å; I1083-M1100 WeakPolarHBondContact O-CE 3.38Å; I1083-A1111 HydrophobicContact CG1-CB 4.17Å; I1083-M1144 HydrophobicContact CD1-CE 4.32Å; I1083-M1144 HydrophobicContact CD1-SD 4.22Å; I1083-M1144 HydrophobicContact CG1-SD 4.15Å; I1083-M1144 HydrophobicContact CG2-SD 3.97Å
1084	T	95.5	Very high	86.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	135.7	178.5	61.5	0	0	0	0	111.2	R1093 I1097 M1100 A1111 I1112 G1113 L1135	T1084-R1093 PolarHBondContact O-NH1 2.88Å; T1084-I1097 HydrophobicContact CG2-CG1 3.62Å; T1084-M1100 HydrophobicContact CG2-SD 3.93Å; T1084-A1111 PolarHBondContact N-O 3.49Å; T1084-A1111 PolarHBondContact OG1-O 2.86Å; T1084-I1112 WeakPolarHBondContact OG1-CA 3.43Å; T1084-G1113 CarbonylContact O-C 3.47Å; T1084-G1113 WeakPolarHBondContact O-CA 3.21Å; T1084-G1113 PolarHBondContact O-N 2.94Å; T1084-L1135 HydrophobicContact CG2-CD2 4.15Å
1085	Q	93.3	Very high	88.9	Confident	5 Å²	5	32.7 Å²	32.7	2%	0.023	18%	0.178	C	C	.	.			trans	-119.6	-161.2	-177.7	-58.8	-63.4	-18.6	0	0	110.1	D1039 M1055 R1093 C1096	D1039-Q1085 PolarHBondContact OD2-NE2 3.04Å; M1055-Q1085 HydrophobicContact CB-CB 4.13Å; M1055-Q1085 HydrophobicContact CG-CB 4.23Å; Q1085-R1093 VanDerWaalsContact O-CD 3.26Å; Q1085-R1093 WeakPolarHBondContact O-CD 3.45Å; Q1085-R1093 PolarHBondContact O-NE 3.23Å; Q1085-R1093 PolarHBondContact O-NH1 2.63Å; Q1085-C1096 PolarHBondContact N-SG 3.33Å
1086	G	91.1	Very high	91.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.			trans	107.2	-0.2	-179.8	0	0	0	0	0	114.7	L1088 D1089	G1086-L1088 PolarHBondContact O-N 3.24Å; G1086-D1089 PolarHBondContact O-N 3.1Å
1087	G	89.8	Confident	93.1	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.01	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	-132.7	174.4	0	0	0	0	0	112.6	M1051 R1093	M1051-G1087 PolarHBondContact SD-N 3.28Å; G1087-R1093 PolarHBondContact O-NH2 3.28Å
1088	L	91.5	Very high	94.1	Very high	45 Å²	45	23.7 Å²	23.7	24%	0.236	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	1.9	178	-54.5	-176.3	0	0	0	113.7	V1044 G1086 P1090 L1115 E1119 N1123 I1127	V1044-L1088 HydrophobicContact CG1-CD1 3.81Å; V1044-L1088 HydrophobicContact CG1-CD2 3.63Å; V1044-L1088 HydrophobicContact CG1-CG 3.48Å; V1044-L1088 VanDerWaalsContact CG1-CG 3.48Å; G1086-L1088 PolarHBondContact O-N 3.24Å; L1088-P1090 WeakPolarHBondContact O-CD 3.41Å; L1088-L1115 HydrophobicContact CD2-CD2 4.12Å; L1088-E1119 HydrophobicContact CD1-CB 3.92Å; L1088-E1119 HydrophobicContact CD2-CB 4.04Å; L1088-E1119 HydrophobicContact CD2-CG 4.29Å; L1088-N1123 HydrophobicContact CD1-CB 3.98Å; L1088-N1123 HydrophobicContact CD2-CB 4.11Å; L1088-N1123 HydrophobicContact CG-CB 4.47Å; L1088-I1127 HydrophobicContact CD2-CG1 4.38Å
1089	D	92.8	Very high	94.6	Very high	48 Å²	48	25.2 Å²	25.2	26%	0.257	14%	0.141	S	C	.	.			trans	-80.9	121.1	177.4	-174.8	-71.2	0	0	0	110.2	G1086 S1091 M1092 R1093	G1086-D1089 PolarHBondContact O-N 3.1Å; D1089-S1091 VanDerWaalsContact C-N 3.35Å; D1089-S1091 PolarHBondContact O-N 2.9Å; D1089-S1091 VanDerWaalsContact OD1-CA 3.29Å; D1089-S1091 WeakPolarHBondContact OD1-CA 3.5Å; D1089-S1091 WeakPolarHBondContact OD1-CB 3.43Å; D1089-S1091 PolarHBondContact OD1-N 3.49Å; D1089-S1091 PolarHBondContact OD1-OG 3.32Å; D1089-M1092 HydrophobicContact CB-CB 4.11Å; D1089-M1092 HydrophobicContact CB-CG 4.04Å; D1089-M1092 HydrophobicContact CB-SD 4.49Å; D1089-M1092 PolarHBondContact OD1-N 3.08Å; D1089-R1093 VanDerWaalsContact O-CB 3.28Å; D1089-R1093 WeakPolarHBondContact O-CB 3.27Å; D1089-R1093 PolarHBondContact O-N 2.92Å; D1089-R1093 VanDerWaalsContact O-N 3.08Å
1090	P	94.2	Very high	94.9	Very high	71 Å²	71	24.8 Å²	24.8	46%	0.461	14%	0.139	S	C	.	.	H	α-helix	trans	-62.7	-37.4	179.2	-25.6	36.9	0	0	0	113.6	L1088 R1093 I1094 L1130	L1088-P1090 WeakPolarHBondContact O-CD 3.41Å; P1090-R1093 PolarHBondContact O-N 3.49Å; P1090-I1094 WeakPolarHBondContact O-CD1 3.37Å; P1090-I1094 VanDerWaalsContact O-CG1 3.22Å; P1090-I1094 WeakPolarHBondContact O-CG1 3.49Å; P1090-I1094 PolarHBondContact O-N 3.23Å; P1090-L1130 HydrophobicContact CB-CD2 3.66Å
1091	S	95.8	Very high	95.1	Very high	68 Å²	68	26.8 Å²	26.8	48%	0.476	15%	0.149	S	C	.	.	H	α-helix	trans	-70.7	-47.1	-178	72.8	0	0	0	0	111.4	D1089 R1093 I1094 D1095	D1089-S1091 VanDerWaalsContact C-N 3.35Å; D1089-S1091 PolarHBondContact O-N 2.9Å; D1089-S1091 VanDerWaalsContact OD1-CA 3.29Å; D1089-S1091 WeakPolarHBondContact OD1-CA 3.5Å; D1089-S1091 WeakPolarHBondContact OD1-CB 3.43Å; D1089-S1091 PolarHBondContact OD1-N 3.49Å; D1089-S1091 PolarHBondContact OD1-OG 3.32Å; S1091-R1093 VanDerWaalsContact C-N 3.26Å; S1091-R1093 PolarHBondContact O-N 2.84Å; S1091-I1094 PolarHBondContact O-N 3.48Å; S1091-D1095 WeakPolarHBondContact O-CB 3.48Å; S1091-D1095 PolarHBondContact O-N 3.05Å
1092	M	95.1	Very high	95.1	Very high	19 Å²	19	33.3 Å²	33.3	9%	0.094	18%	0.177	C	C	.	.	H	α-helix	trans	-64.9	-31.6	176	-60.5	-164.8	-155.4	0	0	112.3	D1048 M1051 K1052 M1055 D1089 C1096	D1048-M1092 HydrophobicContact CB-CE 3.85Å; M1051-M1092 HydrophobicContact CG-SD 4.21Å; K1052-M1092 HydrophobicContact CB-CE 4.33Å; K1052-M1092 HydrophobicContact CB-SD 3.89Å; M1055-M1092 HydrophobicContact CE-CB 4.12Å; M1055-M1092 HydrophobicContact CE-CG 4.46Å; D1089-M1092 HydrophobicContact CB-CB 4.11Å; D1089-M1092 HydrophobicContact CB-CG 4.04Å; D1089-M1092 HydrophobicContact CB-SD 4.49Å; D1089-M1092 PolarHBondContact OD1-N 3.08Å; M1092-C1096 WeakPolarHBondContact O-CB 3.17Å; M1092-C1096 PolarHBondContact O-N 3.18Å
1093	R	95.5	Very high	95	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.2	-46.1	173.6	-174.3	64.7	64.3	165.2	3.2	111.3	T1084 Q1085 G1087 D1089 P1090 S1091 I1097 G1113 I1127 L1130 S1131	T1084-R1093 PolarHBondContact O-NH1 2.88Å; Q1085-R1093 VanDerWaalsContact O-CD 3.26Å; Q1085-R1093 WeakPolarHBondContact O-CD 3.45Å; Q1085-R1093 PolarHBondContact O-NE 3.23Å; Q1085-R1093 PolarHBondContact O-NH1 2.63Å; G1087-R1093 PolarHBondContact O-NH2 3.28Å; D1089-R1093 VanDerWaalsContact O-CB 3.28Å; D1089-R1093 WeakPolarHBondContact O-CB 3.27Å; D1089-R1093 PolarHBondContact O-N 2.92Å; D1089-R1093 VanDerWaalsContact O-N 3.08Å; P1090-R1093 PolarHBondContact O-N 3.49Å; S1091-R1093 VanDerWaalsContact C-N 3.26Å; S1091-R1093 PolarHBondContact O-N 2.84Å; R1093-I1097 HydrophobicContact CG-CD1 4.27Å; R1093-I1097 WeakPolarHBondContact O-CD1 3.32Å; R1093-I1097 VanDerWaalsContact O-CG1 3.32Å; R1093-I1097 WeakPolarHBondContact O-CG1 3.05Å; R1093-I1097 PolarHBondContact O-N 3.41Å; R1093-I1097 VanDerWaalsContact O-N 3.09Å; R1093-G1113 PolarHBondContact NH1-O 2.85Å; R1093-G1113 PolarHBondContact NH2-O 3.42Å; R1093-I1127 HydrophobicContact CG-CG2 4.2Å; R1093-L1130 HydrophobicContact CB-CD2 4.28Å; R1093-L1130 HydrophobicContact CG-CD2 4.29Å; R1093-S1131 WeakPolarHBondContact CD-OG 3.36Å
1094	I	97.2	Very high	94.7	Very high	43 Å²	43	38 Å²	38	22%	0.221	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-47.9	175.6	-69.3	164.1	0	0	0	111	P1090 S1091 C1096 I1097 N1098 L1130	P1090-I1094 WeakPolarHBondContact O-CD1 3.37Å; P1090-I1094 VanDerWaalsContact O-CG1 3.22Å; P1090-I1094 WeakPolarHBondContact O-CG1 3.49Å; P1090-I1094 PolarHBondContact O-N 3.23Å; S1091-I1094 PolarHBondContact O-N 3.48Å; I1094-C1096 VanDerWaalsContact C-N 3.32Å; I1094-C1096 PolarHBondContact O-N 2.9Å; I1094-I1097 PolarHBondContact O-N 2.88Å; I1094-I1097 VanDerWaalsContact O-N 3.12Å; I1094-N1098 VanDerWaalsContact CG2-ND2 3.33Å; I1094-N1098 WeakPolarHBondContact CG2-ND2 3.47Å; I1094-N1098 WeakPolarHBondContact O-CB 3.31Å; I1094-N1098 VanDerWaalsContact O-CG 3.31Å; I1094-N1098 PolarHBondContact O-N 3.47Å; I1094-N1098 PolarHBondContact O-ND2 3.22Å; I1094-L1130 HydrophobicContact CD1-CD1 4.22Å; I1094-L1130 HydrophobicContact CD1-CD2 4.34Å; I1094-L1130 HydrophobicContact CG1-CD2 4.17Å; I1094-L1130 HydrophobicContact CG1-CG 4.34Å
1095	D	96.7	Very high	94.3	Very high	75 Å²	75	42.9 Å²	42.9	40%	0.401	22%	0.223	S	C	.	.	H	α-helix	trans	-56.7	-45.6	177.1	-77.4	-9.5	0	0	0	111.3	M1055 S1091 I1097 N1098 E1099	M1055-D1095 HydrophobicContact CE-CB 4.39Å; S1091-D1095 WeakPolarHBondContact O-CB 3.48Å; S1091-D1095 PolarHBondContact O-N 3.05Å; D1095-I1097 VanDerWaalsContact C-N 3.34Å; D1095-I1097 PolarHBondContact O-N 3.15Å; D1095-N1098 PolarHBondContact O-N 3Å; D1095-E1099 PolarHBondContact O-N 2.88Å
1096	C	97.4	Very high	94	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.8	-42.1	176.4	-170.9	0	0	0	0	112.2	M1055 Q1085 M1092 I1094 M1100	M1055-C1096 HydrophobicContact CG-CB 3.57Å; M1055-C1096 HydrophobicContact SD-CB 3.96Å; Q1085-C1096 PolarHBondContact N-SG 3.33Å; M1092-C1096 WeakPolarHBondContact O-CB 3.17Å; M1092-C1096 PolarHBondContact O-N 3.18Å; I1094-C1096 VanDerWaalsContact C-N 3.32Å; I1094-C1096 PolarHBondContact O-N 2.9Å; C1096-M1100 WeakPolarHBondContact O-CB 3.42Å; C1096-M1100 WeakPolarHBondContact O-CG 3.46Å; C1096-M1100 PolarHBondContact O-N 3.44Å; C1096-M1100 VanDerWaalsContact SG-CE 3.51Å
1097	I	97.7	Very high	94	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-48.8	176.5	-71.4	162.8	0	0	0	110.2	T1084 R1093 I1094 D1095 E1099 M1100 L1101 H1134 L1135	T1084-I1097 HydrophobicContact CG2-CG1 3.62Å; R1093-I1097 HydrophobicContact CG-CD1 4.27Å; R1093-I1097 WeakPolarHBondContact O-CD1 3.32Å; R1093-I1097 VanDerWaalsContact O-CG1 3.32Å; R1093-I1097 WeakPolarHBondContact O-CG1 3.05Å; R1093-I1097 PolarHBondContact O-N 3.41Å; R1093-I1097 VanDerWaalsContact O-N 3.09Å; I1094-I1097 PolarHBondContact O-N 2.88Å; I1094-I1097 VanDerWaalsContact O-N 3.12Å; D1095-I1097 VanDerWaalsContact C-N 3.34Å; D1095-I1097 PolarHBondContact O-N 3.15Å; I1097-E1099 VanDerWaalsContact C-N 3.32Å; I1097-E1099 PolarHBondContact O-N 3.33Å; I1097-M1100 PolarHBondContact O-N 3.36Å; I1097-M1100 VanDerWaalsContact O-N 3.09Å; I1097-L1101 HydrophobicContact CG2-CD1 3.78Å; I1097-L1101 HydrophobicContact CG2-CG 4.11Å; I1097-L1101 WeakPolarHBondContact O-CB 3.43Å; I1097-L1101 VanDerWaalsContact O-CG 3.28Å; I1097-L1101 WeakPolarHBondContact O-CG 3.23Å; I1097-L1101 PolarHBondContact O-N 2.94Å; I1097-H1134 HydrophobicContact CD1-CB 4.08Å; I1097-H1134 HydrophobicContact CG2-CB 3.87Å; I1097-L1135 HydrophobicContact CD1-CG 4.4Å; I1097-L1135 HydrophobicContact CG1-CD2 4.3Å; I1097-L1135 HydrophobicContact CG1-CG 4.48Å; I1097-L1135 HydrophobicContact CG2-CD2 4.1Å
1098	N	97.7	Very high	94.1	Very high	74 Å²	74	48.5 Å²	48.5	40%	0.396	25%	0.25	S	C	.	.	H	α-helix	trans	-59.3	-40	179.6	-73.9	-21.3	0	0	0	112.3	I1094 D1095	I1094-N1098 VanDerWaalsContact CG2-ND2 3.33Å; I1094-N1098 WeakPolarHBondContact CG2-ND2 3.47Å; I1094-N1098 WeakPolarHBondContact O-CB 3.31Å; I1094-N1098 VanDerWaalsContact O-CG 3.31Å; I1094-N1098 PolarHBondContact O-N 3.47Å; I1094-N1098 PolarHBondContact O-ND2 3.22Å; D1095-N1098 PolarHBondContact O-N 3Å
1099	E	97.1	Very high	94.2	Very high	64 Å²	64	46.4 Å²	46.4	30%	0.299	24%	0.239	S	C	.	.	H	α-helix	trans	-63.4	-50.3	170.9	-75.8	-55.1	145.5	0	0	111.8	V1059 D1095 I1097 L1101 K1102 R1103	V1059-E1099 HydrophobicContact CG1-CB 3.92Å; V1059-E1099 HydrophobicContact CG1-CG 4.39Å; V1059-E1099 HydrophobicContact CG2-CB 3.91Å; D1095-E1099 PolarHBondContact O-N 2.88Å; I1097-E1099 VanDerWaalsContact C-N 3.32Å; I1097-E1099 PolarHBondContact O-N 3.33Å; E1099-L1101 VanDerWaalsContact C-N 3.25Å; E1099-L1101 PolarHBondContact O-N 3.4Å; E1099-K1102 WeakPolarHBondContact O-CB 3.32Å; E1099-K1102 PolarHBondContact O-N 3.4Å; E1099-K1102 IonicContact OE1-NZ 3.45Å; E1099-K1102 PolarHBondContact OE1-NZ 3.3Å; E1099-K1102 WeakPolarHBondContact OE2-CD 3.33Å; E1099-K1102 WeakPolarHBondContact OE2-CE 3.37Å; E1099-K1102 IonicContact OE2-NZ 3.75Å; E1099-K1102 PolarHBondContact OE2-NZ 3.47Å; E1099-R1103 VanDerWaalsContact O-CD 3.28Å; E1099-R1103 WeakPolarHBondContact O-CD 3.43Å; E1099-R1103 PolarHBondContact O-NH1 3.02Å; E1099-R1103 IonicContact OE2-CZ 3.63Å; E1099-R1103 IonicContact OE2-NH1 2.7Å; E1099-R1103 PolarHBondContact OE2-NH1 3.45Å
1100	M	96	Very high	94.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.5	-31.8	-178.5	-68.2	176.4	175.7	0	0	112.5	V1059 L1062 A1082 I1083 T1084 C1096 I1097 K1102 R1103 F1110	V1059-M1100 HydrophobicContact CG2-CE 4.07Å; L1062-M1100 HydrophobicContact CD2-CB 4.24Å; L1062-M1100 HydrophobicContact CD2-CE 4.44Å; L1062-M1100 HydrophobicContact CD2-CG 3.74Å; L1062-M1100 HydrophobicContact CD2-SD 4.45Å; A1082-M1100 HydrophobicContact CB-CB 4.5Å; A1082-M1100 HydrophobicContact CB-CG 4.43Å; A1082-M1100 HydrophobicContact CB-SD 3.99Å; I1083-M1100 VanDerWaalsContact O-CE 3.25Å; I1083-M1100 WeakPolarHBondContact O-CE 3.38Å; T1084-M1100 HydrophobicContact CG2-SD 3.93Å; C1096-M1100 WeakPolarHBondContact O-CB 3.42Å; C1096-M1100 WeakPolarHBondContact O-CG 3.46Å; C1096-M1100 PolarHBondContact O-N 3.44Å; C1096-M1100 VanDerWaalsContact SG-CE 3.51Å; I1097-M1100 PolarHBondContact O-N 3.36Å; I1097-M1100 VanDerWaalsContact O-N 3.09Å; M1100-K1102 VanDerWaalsContact C-N 3.27Å; M1100-K1102 PolarHBondContact O-N 3.3Å; M1100-R1103 PolarHBondContact O-N 2.79Å; M1100-F1110 HydrophobicContact CB-CE1 4.02Å
1101	L	95.6	Very high	94.5	Very high	50 Å²	50	40.7 Å²	40.7	26%	0.262	20%	0.204	S	C	.	.	H	α-helix	trans	-63.4	-26.9	174.1	-74.2	173.9	0	0	0	113.6	I1097 E1099 R1103 K1104 F1110 P1136	I1097-L1101 HydrophobicContact CG2-CD1 3.78Å; I1097-L1101 HydrophobicContact CG2-CG 4.11Å; I1097-L1101 WeakPolarHBondContact O-CB 3.43Å; I1097-L1101 VanDerWaalsContact O-CG 3.28Å; I1097-L1101 WeakPolarHBondContact O-CG 3.23Å; I1097-L1101 PolarHBondContact O-N 2.94Å; E1099-L1101 VanDerWaalsContact C-N 3.25Å; E1099-L1101 PolarHBondContact O-N 3.4Å; L1101-R1103 PolarHBondContact O-N 2.79Å; L1101-R1103 VanDerWaalsContact O-N 3.08Å; L1101-K1104 HydrophobicContact CD2-CD 4.47Å; L1101-K1104 WeakPolarHBondContact O-CB 3.21Å; L1101-K1104 PolarHBondContact O-N 3.25Å; L1101-F1110 HydrophobicContact CD2-CZ 4.17Å; L1101-P1136 HydrophobicContact CD2-CG 3.64Å
1102	K	96	Very high	94.5	Very high	136 Å²	136	37.5 Å²	37.5	59%	0.591	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-12.1	172	-58.1	176.2	-168.3	169.1	0	113.4	E1099 M1100	E1099-K1102 WeakPolarHBondContact O-CB 3.32Å; E1099-K1102 PolarHBondContact O-N 3.4Å; E1099-K1102 IonicContact OE1-NZ 3.45Å; E1099-K1102 PolarHBondContact OE1-NZ 3.3Å; E1099-K1102 WeakPolarHBondContact OE2-CD 3.33Å; E1099-K1102 WeakPolarHBondContact OE2-CE 3.37Å; E1099-K1102 IonicContact OE2-NZ 3.75Å; E1099-K1102 PolarHBondContact OE2-NZ 3.47Å; M1100-K1102 VanDerWaalsContact C-N 3.27Å; M1100-K1102 PolarHBondContact O-N 3.3Å
1103	R	93.1	Very high	94.3	Very high	35 Å²	35	36.9 Å²	36.9	13%	0.132	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	9.8	176.9	-58.1	85	168.9	158	-0.3	112.6	D1063 E1099 M1100 L1101 D1105 K1106 L1107	D1063-R1103 VanDerWaalsContact CG-NH2 3.3Å; D1063-R1103 IonicContact OD1-CZ 2.73Å; D1063-R1103 VanDerWaalsContact OD1-CZ 3.31Å; D1063-R1103 IonicContact OD1-NE 2.7Å; D1063-R1103 PolarHBondContact OD1-NE 3.43Å; D1063-R1103 IonicContact OD1-NH2 2.65Å; D1063-R1103 PolarHBondContact OD1-NH2 3.33Å; D1063-R1103 IonicContact OD2-CZ 2.75Å; D1063-R1103 IonicContact OD2-NE 3.11Å; D1063-R1103 IonicContact OD2-NH2 2.72Å; D1063-R1103 PolarHBondContact OD2-NH2 2.8Å; E1099-R1103 VanDerWaalsContact O-CD 3.28Å; E1099-R1103 WeakPolarHBondContact O-CD 3.43Å; E1099-R1103 PolarHBondContact O-NH1 3.02Å; E1099-R1103 IonicContact OE2-CZ 3.63Å; E1099-R1103 IonicContact OE2-NH1 2.7Å; E1099-R1103 PolarHBondContact OE2-NH1 3.45Å; M1100-R1103 PolarHBondContact O-N 2.79Å; L1101-R1103 PolarHBondContact O-N 2.79Å; L1101-R1103 VanDerWaalsContact O-N 3.08Å; R1103-D1105 PolarHBondContact O-N 2.94Å; R1103-D1105 VanDerWaalsContact O-N 3.13Å; R1103-K1106 PolarHBondContact O-N 2.8Å; R1103-L1107 HydrophobicContact CB-CD1 4.01Å; R1103-L1107 HydrophobicContact CB-CG 4.42Å; R1103-L1107 WeakPolarHBondContact O-CG 3.17Å; R1103-L1107 PolarHBondContact O-N 2.91Å
1104	K	89.7	Confident	93.6	Very high	63 Å²	63	37.7 Å²	37.7	27%	0.274	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-54.9	-33.4	-173	-175.8	-168.5	175.7	-166.5	0	113.7	L1101 K1106 L1107 F1110 P1136 D1138	L1101-K1104 HydrophobicContact CD2-CD 4.47Å; L1101-K1104 WeakPolarHBondContact O-CB 3.21Å; L1101-K1104 PolarHBondContact O-N 3.25Å; K1104-K1106 PolarHBondContact O-N 3.43Å; K1104-L1107 PolarHBondContact O-N 3.26Å; K1104-F1110 HydrophobicContact CB-CZ 4.47Å; K1104-F1110 HydrophobicContact CG-CE2 4.47Å; K1104-F1110 HydrophobicContact CG-CZ 4.41Å; K1104-P1136 HydrophobicContact CD-CG 4.25Å; K1104-D1138 WeakPolarHBondContact CE-OD1 3.48Å; K1104-D1138 WeakPolarHBondContact CE-OD2 3.38Å; K1104-D1138 IonicContact NZ-OD1 3.37Å; K1104-D1138 PolarHBondContact NZ-OD1 2.93Å; K1104-D1138 IonicContact NZ-OD2 3.62Å; K1104-D1138 PolarHBondContact NZ-OD2 2.69Å
1105	D	86.9	Confident	92.7	Very high	104 Å²	104	36.6 Å²	36.6	56%	0.556	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-55.6	-32.8	175.1	62	-40.8	0	0	0	113	R1103	R1103-D1105 PolarHBondContact O-N 2.94Å; R1103-D1105 VanDerWaalsContact O-N 3.13Å
1106	K	87.7	Confident	91.3	Very high	109 Å²	109	36 Å²	36	47%	0.474	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-106.7	7.8	-176.2	-66.6	156	-167.4	126.5	0	113.4	V1066 R1103 K1104	V1066-K1106 HydrophobicContact CG1-CB 3.91Å; V1066-K1106 HydrophobicContact CG1-CD 3.43Å; V1066-K1106 VanDerWaalsContact CG1-CD 3.43Å; V1066-K1106 HydrophobicContact CG1-CG 4.22Å; R1103-K1106 PolarHBondContact O-N 2.8Å; K1104-K1106 PolarHBondContact O-N 3.43Å
1107	L	90.6	Very high	89.7	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.204	C	C	.	.			trans	-116.8	132	-178.2	-62.7	171.4	0	0	0	111.1	L1062 V1066 L1080 A1082 R1103 K1104 F1110 R1139	L1062-L1107 HydrophobicContact CD1-CD2 3.88Å; L1062-L1107 HydrophobicContact CD2-CD1 4.23Å; V1066-L1107 HydrophobicContact CG2-CD2 4.33Å; L1080-L1107 HydrophobicContact CD2-CD2 4.07Å; L1080-L1107 HydrophobicContact CG-CD2 4.1Å; A1082-L1107 HydrophobicContact CB-CD1 3.93Å; A1082-L1107 HydrophobicContact CB-CD2 4.27Å; R1103-L1107 HydrophobicContact CB-CD1 4.01Å; R1103-L1107 HydrophobicContact CB-CG 4.42Å; R1103-L1107 WeakPolarHBondContact O-CG 3.17Å; R1103-L1107 PolarHBondContact O-N 2.91Å; K1104-L1107 PolarHBondContact O-N 3.26Å; L1107-F1110 HydrophobicContact CB-CE2 4.48Å; L1107-F1110 HydrophobicContact CB-CZ 4.25Å; L1107-F1110 HydrophobicContact CD1-CE1 3.76Å; L1107-F1110 HydrophobicContact CD1-CZ 3.78Å; L1107-R1139 PolarHBondContact O-NE 3.07Å; L1107-R1139 PolarHBondContact O-NH2 2.62Å
1108	A	91.1	Very high	88.5	Confident	13 Å²	13	41 Å²	41	11%	0.107	24%	0.237	C	C	.	.	S	Bend	trans	-91	-12.4	-178.8	0	0	0	0	0	113.3	L891 N1079 L1080 F1081 R1139 P1140	L891-A1108 HydrophobicContact CB-CB 4.4Å; L891-A1108 HydrophobicContact CD1-CB 4.2Å; N1079-A1108 HydrophobicContact CB-CB 3.59Å; L1080-A1108 PolarHBondContact O-N 2.84Å; F1081-A1108 HydrophobicContact CD1-CB 4.31Å; F1081-A1108 HydrophobicContact CE1-CB 4.17Å; A1108-R1139 WeakPolarHBondContact O-CD 3.19Å; A1108-P1140 WeakPolarHBondContact O-CD 3.41Å
1109	G	94.1	Very high	87.9	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	174.4	179.9	0	0	0	0	0	112.6	F1081 A1082	F1081-G1109 WeakPolarHBondContact CA-O 3.36Å; A1082-G1109 PolarHBondContact N-O 3.31Å
1110	F	96.9	Very high	87.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.6	-177.5	-65.6	-98.4	0	0	0	110.6	A1082 M1100 L1101 K1104 L1107 L1135 P1136 R1139 P1140 R1141 Y1142	A1082-F1110 HydrophobicContact CB-CD1 4.05Å; A1082-F1110 HydrophobicContact CB-CE1 4.31Å; M1100-F1110 HydrophobicContact CB-CE1 4.02Å; L1101-F1110 HydrophobicContact CD2-CZ 4.17Å; K1104-F1110 HydrophobicContact CB-CZ 4.47Å; K1104-F1110 HydrophobicContact CG-CE2 4.47Å; K1104-F1110 HydrophobicContact CG-CZ 4.41Å; L1107-F1110 HydrophobicContact CB-CE2 4.48Å; L1107-F1110 HydrophobicContact CB-CZ 4.25Å; L1107-F1110 HydrophobicContact CD1-CE1 3.76Å; L1107-F1110 HydrophobicContact CD1-CZ 3.78Å; F1110-L1135 HydrophobicContact CB-CD1 4.06Å; F1110-L1135 HydrophobicContact CB-CD2 3.54Å; F1110-L1135 HydrophobicContact CB-CG 4.4Å; F1110-L1135 HydrophobicContact CD1-CD2 3.63Å; F1110-L1135 HydrophobicContact CD2-CD2 4.31Å; F1110-L1135 HydrophobicContact CE1-CD2 4.41Å; F1110-L1135 HydrophobicContact CG-CD2 3.57Å; F1110-P1136 HydrophobicContact CD2-CG 4.09Å; F1110-P1136 HydrophobicContact CE2-CG 3.71Å; F1110-P1136 HydrophobicContact CZ-CG 4.35Å; F1110-R1139 HydrophobicContact CD2-CB 4.19Å; F1110-R1139 HydrophobicContact CD2-CG 4.46Å; F1110-R1139 HydrophobicContact CE2-CB 4.41Å; F1110-R1139 HydrophobicContact CE2-CG 4.2Å; F1110-P1140 PolarHBondContact N-O 2.87Å; F1110-P1140 VanDerWaalsContact N-O 3.08Å; F1110-R1141 WeakPolarHBondContact O-CA 3.21Å; F1110-Y1142 PolarHBondContact O-N 3.32Å
1111	A	96.8	Very high	87.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	154.2	173.7	0	0	0	0	0	112.1	M1036 A1082 I1083 T1084 Y1142 M1144	M1036-A1111 HydrophobicContact CE-CB 3.58Å; A1082-A1111 PolarHBondContact O-N 3.32Å; I1083-A1111 HydrophobicContact CG1-CB 4.17Å; T1084-A1111 PolarHBondContact N-O 3.49Å; T1084-A1111 PolarHBondContact OG1-O 2.86Å; A1111-Y1142 CarbonylContact C-O 3.52Å; A1111-Y1142 WeakPolarHBondContact CA-O 3.47Å; A1111-Y1142 HydrophobicContact CB-CD1 3.83Å; A1111-Y1142 HydrophobicContact CB-CG 4.18Å; A1111-M1144 HydrophobicContact CB-CG 4.21Å; A1111-M1144 HydrophobicContact CB-SD 3.95Å
1112	I	95.6	Very high	87.3	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	102.9	176.9	-54.7	168.4	0	0	0	107.7	T1084 L1115 I1128 T1132 L1135 Y1142 V1143	T1084-I1112 WeakPolarHBondContact OG1-CA 3.43Å; I1112-L1115 HydrophobicContact CG2-CD1 3.74Å; I1112-I1128 HydrophobicContact CD1-CD1 4.45Å; I1112-I1128 HydrophobicContact CG2-CD1 4.23Å; I1112-T1132 HydrophobicContact CD1-CG2 4.17Å; I1112-L1135 HydrophobicContact CD1-CD1 4.24Å; I1112-L1135 HydrophobicContact CG1-CD1 3.94Å; I1112-Y1142 PolarHBondContact N-O 3.38Å; I1112-V1143 HydrophobicContact CD1-CG2 4.05Å
1113	G	90.7	Very high	87.1	Confident	6 Å²	6	37 Å²	37	6%	0.062	23%	0.225	C	C	.	.			trans	-101.9	178.9	180	0	0	0	0	0	113.1	T1084 R1093 L1115	T1084-G1113 CarbonylContact O-C 3.47Å; T1084-G1113 WeakPolarHBondContact O-CA 3.21Å; T1084-G1113 PolarHBondContact O-N 2.94Å; R1093-G1113 PolarHBondContact NH1-O 2.85Å; R1093-G1113 PolarHBondContact NH2-O 3.42Å; G1113-L1115 VanDerWaalsContact C-N 3.26Å; G1113-L1115 PolarHBondContact O-N 2.91Å
1114	G	81.7	Confident	87.2	Confident	17 Å²	17	35.4 Å²	35.4	18%	0.175	22%	0.219	C	C	.	.	S	Bend	trans	65.9	26.4	-179.6	0	0	0	0	0	114.3	V1044	V1044-G1114 WeakPolarHBondContact CG2-O 3.48Å
1115	L	78.4	Confident	87.5	Confident	19 Å²	19	33.5 Å²	33.5	10%	0.099	21%	0.21	C	C	.	.			trans	-129	167.5	174.9	-63.5	178.7	0	0	0	109.4	L1088 I1112 G1113 G1117 F1124 I1127 I1128	L1088-L1115 HydrophobicContact CD2-CD2 4.12Å; I1112-L1115 HydrophobicContact CG2-CD1 3.74Å; G1113-L1115 VanDerWaalsContact C-N 3.26Å; G1113-L1115 PolarHBondContact O-N 2.91Å; L1115-G1117 VanDerWaalsContact C-N 3.3Å; L1115-F1124 HydrophobicContact CB-CD2 4.28Å; L1115-F1124 HydrophobicContact CB-CE2 4.49Å; L1115-F1124 HydrophobicContact CD1-CD2 4.33Å; L1115-I1127 HydrophobicContact CD1-CG2 4.14Å; L1115-I1127 HydrophobicContact CD2-CB 4.29Å; L1115-I1127 HydrophobicContact CD2-CG2 4.04Å; L1115-I1127 HydrophobicContact CG-CG2 4.47Å; L1115-I1128 HydrophobicContact CD1-CD1 3.52Å; L1115-I1128 HydrophobicContact CD1-CG1 3.85Å
1116	S	66.3	Low	88	Confident	63 Å²	63	34.7 Å²	34.7	44%	0.441	21%	0.207	S	C	.	.	S	Bend	trans	67.2	23.5	-167.6	-49.1	0	0	0	0	114.4	E1119	S1116-E1119 WeakPolarHBondContact CA-OE1 3.09Å; S1116-E1119 PolarHBondContact N-OE1 3.27Å; S1116-E1119 PolarHBondContact N-OE2 3.32Å
1117	G	63.7	Low	88.4	Confident	39 Å²	39	29.8 Å²	29.8	40%	0.402	19%	0.186	S	C	.	.	S	Bend	trans	-91.1	-26.4	-178	0	0	0	0	0	114.8	L1115 E1119	L1115-G1117 VanDerWaalsContact C-N 3.3Å; G1117-E1119 PolarHBondContact N-OE2 2.86Å
1118	G	73.2	Confident	88.7	Confident	67 Å²	67	29.7 Å²	29.7	69%	0.691	19%	0.185	S	C	*	.	S	Bend	trans	144.5	8.4	-177.9	0	0	0	0	0	114.7
1119	E	84.8	Confident	89	Confident	31 Å²	31	31 Å²	31	15%	0.145	19%	0.189	C	C	.	.			trans	-63.5	157.9	178.9	67.3	-76.8	-177.5	0	0	114.1	V1044 L1088 S1116 G1117 F1124	V1044-E1119 HydrophobicContact CG1-CB 4.05Å; L1088-E1119 HydrophobicContact CD1-CB 3.92Å; L1088-E1119 HydrophobicContact CD2-CB 4.04Å; L1088-E1119 HydrophobicContact CD2-CG 4.29Å; S1116-E1119 WeakPolarHBondContact CA-OE1 3.09Å; S1116-E1119 PolarHBondContact N-OE1 3.27Å; S1116-E1119 PolarHBondContact N-OE2 3.32Å; G1117-E1119 PolarHBondContact N-OE2 2.86Å; E1119-F1124 HydrophobicContact CG-CB 3.89Å; E1119-F1124 WeakPolarHBondContact OE1-CD2 3.48Å
1120	S	90.7	Very high	89.2	Confident	57 Å²	57	32.5 Å²	32.5	40%	0.399	20%	0.197	S	C	.	.			trans	-57.8	143.6	165.1	56.5	0	0	0	0	110.7	D1122 N1123 F1124	S1120-D1122 PolarHBondContact O-N 3.41Å; S1120-N1123 PolarHBondContact O-N 3.35Å; S1120-N1123 WeakPolarHBondContact OG-CB 3.26Å; S1120-N1123 PolarHBondContact OG-N 2.96Å; S1120-N1123 PolarHBondContact OG-ND2 3.4Å; S1120-F1124 PolarHBondContact O-N 3.19Å
1121	K	91.8	Very high	89.2	Confident	53 Å²	53	32.5 Å²	32.5	23%	0.23	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-26.1	179.6	-86.8	-73.8	173	177.2	0	113.9	F1124 W1125 D1151 W1287	K1121-F1124 HydrophobicContact CD-CD1 3.95Å; K1121-F1124 HydrophobicContact CD-CG 4.47Å; K1121-F1124 WeakPolarHBondContact O-CB 3.33Å; K1121-F1124 PolarHBondContact O-N 3.46Å; K1121-W1125 VanDerWaalsContact O-CD1 3.24Å; K1121-W1125 PolarHBondContact O-N 2.68Å; K1121-D1151 IonicContact NZ-OD1 3.79Å; K1121-D1151 PolarHBondContact NZ-OD1 3.18Å; K1121-D1151 IonicContact NZ-OD2 3.43Å; K1121-D1151 PolarHBondContact NZ-OD2 2.85Å; K1121-W1287 HydrophobicContact CB-CB 3.93Å; K1121-W1287 HydrophobicContact CB-CD2 3.65Å; K1121-W1287 HydrophobicContact CB-CE3 4.25Å; K1121-W1287 HydrophobicContact CB-CG 3.46Å; K1121-W1287 VanDerWaalsContact CB-CG 3.46Å; K1121-W1287 HydrophobicContact CD-CD2 4Å; K1121-W1287 HydrophobicContact CD-CE3 4.19Å; K1121-W1287 HydrophobicContact CD-CH2 4.04Å; K1121-W1287 HydrophobicContact CD-CZ2 3.82Å; K1121-W1287 HydrophobicContact CD-CZ3 4.21Å; K1121-W1287 HydrophobicContact CG-CD2 4.07Å; K1121-W1287 HydrophobicContact CG-CG 4.22Å; K1121-W1287 HydrophobicContact CG-CZ2 4.39Å
1122	D	93.1	Very high	89.3	Confident	39 Å²	39	32.5 Å²	32.5	21%	0.209	20%	0.197	C	C	.	.	H	α-helix	trans	-67.7	-51.3	176.1	-58	-75.4	0	0	0	112.8	S1120 F1124 W1125 R1126 W1287	S1120-D1122 PolarHBondContact O-N 3.41Å; D1122-F1124 VanDerWaalsContact C-N 3.26Å; D1122-F1124 PolarHBondContact O-N 3.42Å; D1122-W1125 VanDerWaalsContact CA-CD1 3.48Å; D1122-W1125 PolarHBondContact O-N 2.96Å; D1122-W1125 PolarHBondContact OD1-NE1 2.98Å; D1122-R1126 VanDerWaalsContact O-CB 3.32Å; D1122-R1126 WeakPolarHBondContact O-CB 3.35Å; D1122-R1126 WeakPolarHBondContact O-CD 3.44Å; D1122-R1126 WeakPolarHBondContact O-CG 3.41Å; D1122-R1126 PolarHBondContact O-N 3.47Å; D1122-W1287 WeakPolarHBondContact OD1-CB 3.45Å
1123	N	93	Very high	89.3	Confident	58 Å²	58	36.8 Å²	36.8	31%	0.31	22%	0.217	S	C	.	.	H	α-helix	trans	-64.4	-33.2	174.8	-63.6	-9.6	0	0	0	111.6	L1088 S1120 I1127	L1088-N1123 HydrophobicContact CD1-CB 3.98Å; L1088-N1123 HydrophobicContact CD2-CB 4.11Å; L1088-N1123 HydrophobicContact CG-CB 4.47Å; S1120-N1123 PolarHBondContact O-N 3.35Å; S1120-N1123 WeakPolarHBondContact OG-CB 3.26Å; S1120-N1123 PolarHBondContact OG-N 2.96Å; S1120-N1123 PolarHBondContact OG-ND2 3.4Å; N1123-I1127 WeakPolarHBondContact O-CB 3.47Å; N1123-I1127 VanDerWaalsContact O-CG1 3.23Å; N1123-I1127 WeakPolarHBondContact O-CG1 3.39Å; N1123-I1127 PolarHBondContact O-N 3.22Å
1124	F	94.4	Very high	89.7	Confident	3 Å²	3	39.7 Å²	39.7	1%	0.013	23%	0.228	C	C	.	.	H	α-helix	trans	-57.4	-58.3	170.7	167.2	-95.5	0	0	0	111.8	L1115 E1119 S1120 K1121 D1122 R1126 I1127 I1128 V1146	L1115-F1124 HydrophobicContact CB-CD2 4.28Å; L1115-F1124 HydrophobicContact CB-CE2 4.49Å; L1115-F1124 HydrophobicContact CD1-CD2 4.33Å; E1119-F1124 HydrophobicContact CG-CB 3.89Å; E1119-F1124 WeakPolarHBondContact OE1-CD2 3.48Å; S1120-F1124 PolarHBondContact O-N 3.19Å; K1121-F1124 HydrophobicContact CD-CD1 3.95Å; K1121-F1124 HydrophobicContact CD-CG 4.47Å; K1121-F1124 WeakPolarHBondContact O-CB 3.33Å; K1121-F1124 PolarHBondContact O-N 3.46Å; D1122-F1124 VanDerWaalsContact C-N 3.26Å; D1122-F1124 PolarHBondContact O-N 3.42Å; F1124-R1126 VanDerWaalsContact C-N 3.34Å; F1124-R1126 PolarHBondContact O-N 3.05Å; F1124-I1127 PolarHBondContact O-N 3.47Å; F1124-I1128 HydrophobicContact CD2-CG1 4.4Å; F1124-I1128 HydrophobicContact CE1-CG1 4.36Å; F1124-I1128 HydrophobicContact CE2-CD1 4.3Å; F1124-I1128 HydrophobicContact CE2-CG1 4.1Å; F1124-I1128 HydrophobicContact CZ-CD1 4.43Å; F1124-I1128 HydrophobicContact CZ-CG1 4.08Å; F1124-I1128 VanDerWaalsContact O-CG1 3.27Å; F1124-I1128 WeakPolarHBondContact O-CG1 3.42Å; F1124-I1128 PolarHBondContact O-N 2.74Å; F1124-V1146 HydrophobicContact CE2-CG2 3.75Å; F1124-V1146 HydrophobicContact CZ-CG1 4.47Å; F1124-V1146 HydrophobicContact CZ-CG2 3.74Å
1125	W	96	Very high	90.4	Very high	23 Å²	23	39.2 Å²	39.2	9%	0.087	22%	0.221	C	C	.	.	H	α-helix	trans	-68.7	-34.1	-175.3	79	-109.7	0	0	0	112.4	K1121 D1122 I1128 K1129 L1158 W1287 D1290 A1291 S1294	K1121-W1125 VanDerWaalsContact O-CD1 3.24Å; K1121-W1125 PolarHBondContact O-N 2.68Å; D1122-W1125 VanDerWaalsContact CA-CD1 3.48Å; D1122-W1125 PolarHBondContact O-N 2.96Å; D1122-W1125 PolarHBondContact OD1-NE1 2.98Å; W1125-I1128 PolarHBondContact O-N 3.41Å; W1125-K1129 HydrophobicContact CZ3-CD 4.09Å; W1125-K1129 WeakPolarHBondContact O-CB 3.26Å; W1125-K1129 PolarHBondContact O-N 3.36Å; W1125-L1158 HydrophobicContact CB-CD1 4.24Å; W1125-W1287 HydrophobicContact CB-CE3 4.35Å; W1125-W1287 AromaticContact CD1-CE3 4Å; W1125-W1287 PolarHBondContact NE1-O 3.24Å; W1125-D1290 HydrophobicContact CZ2-CB 3.93Å; W1125-A1291 HydrophobicContact CB-CB 3.93Å; W1125-A1291 HydrophobicContact CD2-CB 3.52Å; W1125-A1291 HydrophobicContact CE3-CB 3.81Å; W1125-A1291 HydrophobicContact CG-CB 3.59Å; W1125-A1291 HydrophobicContact CZ3-CB 4.5Å; W1125-S1294 WeakPolarHBondContact CZ3-OG 3.22Å
1126	R	96.9	Very high	91.2	Very high	128 Å²	128	38.9 Å²	38.9	48%	0.483	22%	0.22	S	C	.	.	H	α-helix	trans	-62.6	-44.9	175.4	-70.9	168.2	-174.2	169.6	0.8	111.8	D1122 F1124 K1129 L1130	D1122-R1126 VanDerWaalsContact O-CB 3.32Å; D1122-R1126 WeakPolarHBondContact O-CB 3.35Å; D1122-R1126 WeakPolarHBondContact O-CD 3.44Å; D1122-R1126 WeakPolarHBondContact O-CG 3.41Å; D1122-R1126 PolarHBondContact O-N 3.47Å; F1124-R1126 VanDerWaalsContact C-N 3.34Å; F1124-R1126 PolarHBondContact O-N 3.05Å; R1126-K1129 PolarHBondContact O-N 3.41Å; R1126-L1130 VanDerWaalsContact O-CB 3.31Å; R1126-L1130 WeakPolarHBondContact O-CB 3.49Å; R1126-L1130 PolarHBondContact O-N 3.16Å
1127	I	96.2	Very high	92.5	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-71.8	-33.9	177.8	-65.2	-69	0	0	0	111.8	L1088 R1093 L1115 N1123 F1124 L1130 S1131	L1088-I1127 HydrophobicContact CD2-CG1 4.38Å; R1093-I1127 HydrophobicContact CG-CG2 4.2Å; L1115-I1127 HydrophobicContact CD1-CG2 4.14Å; L1115-I1127 HydrophobicContact CD2-CB 4.29Å; L1115-I1127 HydrophobicContact CD2-CG2 4.04Å; L1115-I1127 HydrophobicContact CG-CG2 4.47Å; N1123-I1127 WeakPolarHBondContact O-CB 3.47Å; N1123-I1127 VanDerWaalsContact O-CG1 3.23Å; N1123-I1127 WeakPolarHBondContact O-CG1 3.39Å; N1123-I1127 PolarHBondContact O-N 3.22Å; F1124-I1127 PolarHBondContact O-N 3.47Å; I1127-L1130 HydrophobicContact CD1-CD2 4.34Å; I1127-S1131 VanDerWaalsContact O-CB 3.23Å; I1127-S1131 WeakPolarHBondContact O-CB 3.38Å; I1127-S1131 PolarHBondContact O-N 3.12Å; I1127-S1131 PolarHBondContact O-OG 2.77Å
1128	I	97.3	Very high	93.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59	-52.8	169.6	-68.4	-72.2	0	0	0	110.3	I1112 L1115 F1124 W1125 L1130 S1131 T1132 V1143 C1155 L1158	I1112-I1128 HydrophobicContact CD1-CD1 4.45Å; I1112-I1128 HydrophobicContact CG2-CD1 4.23Å; L1115-I1128 HydrophobicContact CD1-CD1 3.52Å; L1115-I1128 HydrophobicContact CD1-CG1 3.85Å; F1124-I1128 HydrophobicContact CD2-CG1 4.4Å; F1124-I1128 HydrophobicContact CE1-CG1 4.36Å; F1124-I1128 HydrophobicContact CE2-CD1 4.3Å; F1124-I1128 HydrophobicContact CE2-CG1 4.1Å; F1124-I1128 HydrophobicContact CZ-CD1 4.43Å; F1124-I1128 HydrophobicContact CZ-CG1 4.08Å; F1124-I1128 VanDerWaalsContact O-CG1 3.27Å; F1124-I1128 WeakPolarHBondContact O-CG1 3.42Å; F1124-I1128 PolarHBondContact O-N 2.74Å; W1125-I1128 PolarHBondContact O-N 3.41Å; I1128-L1130 PolarHBondContact O-N 3.45Å; I1128-S1131 PolarHBondContact O-N 3.46Å; I1128-T1132 PolarHBondContact O-N 3.12Å; I1128-T1132 PolarHBondContact O-OG1 3.29Å; I1128-V1143 HydrophobicContact CD1-CB 4.35Å; I1128-V1143 HydrophobicContact CD1-CG1 3.6Å; I1128-V1143 HydrophobicContact CD1-CG2 3.7Å; I1128-C1155 HydrophobicContact CG2-CB 4.41Å; I1128-L1158 HydrophobicContact CB-CD1 4.21Å; I1128-L1158 HydrophobicContact CG2-CB 4.08Å; I1128-L1158 HydrophobicContact CG2-CD1 3.77Å
1129	K	97.6	Very high	94.9	Very high	42 Å²	42	41.4 Å²	41.4	18%	0.183	20%	0.199	C	C	.	.	H	α-helix	trans	-57.5	-50.9	179	179.4	170.1	175.9	170.1	0	111.7	W1125 R1126 S1131 T1132 E1133 L1158 S1294	W1125-K1129 HydrophobicContact CZ3-CD 4.09Å; W1125-K1129 WeakPolarHBondContact O-CB 3.26Å; W1125-K1129 PolarHBondContact O-N 3.36Å; R1126-K1129 PolarHBondContact O-N 3.41Å; K1129-S1131 VanDerWaalsContact C-N 3.27Å; K1129-S1131 PolarHBondContact O-N 3.32Å; K1129-T1132 PolarHBondContact O-N 3.35Å; K1129-T1132 PolarHBondContact O-OG1 2.92Å; K1129-E1133 WeakPolarHBondContact CE-OE1 3.48Å; K1129-E1133 HydrophobicContact CG-CG 4.35Å; K1129-E1133 IonicContact NZ-OE1 3.8Å; K1129-E1133 WeakPolarHBondContact O-CB 3.44Å; K1129-E1133 VanDerWaalsContact O-CG 3.26Å; K1129-E1133 WeakPolarHBondContact O-CG 3.26Å; K1129-E1133 PolarHBondContact O-N 2.75Å; K1129-L1158 HydrophobicContact CB-CD1 4.24Å; K1129-L1158 HydrophobicContact CB-CD2 3.99Å; K1129-L1158 HydrophobicContact CD-CD2 4.12Å; K1129-L1158 HydrophobicContact CG-CD2 4.18Å; K1129-S1294 WeakPolarHBondContact CD-OG 3.25Å; K1129-S1294 PolarHBondContact NZ-O 3.14Å; K1129-S1294 PolarHBondContact NZ-OG 3.19Å
1130	L	97.6	Very high	95.5	Very high	31 Å²	31	39.9 Å²	39.9	16%	0.162	19%	0.192	C	C	.	.	H	α-helix	trans	-57.3	-42.9	178.2	-170	76.8	0	0	0	111.5	P1090 R1093 I1094 R1126 I1127 I1128 E1133 H1134	P1090-L1130 HydrophobicContact CB-CD2 3.66Å; R1093-L1130 HydrophobicContact CB-CD2 4.28Å; R1093-L1130 HydrophobicContact CG-CD2 4.29Å; I1094-L1130 HydrophobicContact CD1-CD1 4.22Å; I1094-L1130 HydrophobicContact CD1-CD2 4.34Å; I1094-L1130 HydrophobicContact CG1-CD2 4.17Å; I1094-L1130 HydrophobicContact CG1-CG 4.34Å; R1126-L1130 VanDerWaalsContact O-CB 3.31Å; R1126-L1130 WeakPolarHBondContact O-CB 3.49Å; R1126-L1130 PolarHBondContact O-N 3.16Å; I1127-L1130 HydrophobicContact CD1-CD2 4.34Å; I1128-L1130 PolarHBondContact O-N 3.45Å; L1130-E1133 PolarHBondContact O-N 2.74Å; L1130-H1134 PolarHBondContact O-N 3.34Å; L1130-H1134 PolarHBondContact O-ND1 3.33Å
1131	S	97.9	Very high	95.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.3	-43.6	179.7	-57.4	0	0	0	0	111.6	R1093 I1127 I1128 K1129 E1133 H1134 L1135	R1093-S1131 WeakPolarHBondContact CD-OG 3.36Å; I1127-S1131 VanDerWaalsContact O-CB 3.23Å; I1127-S1131 WeakPolarHBondContact O-CB 3.38Å; I1127-S1131 PolarHBondContact O-N 3.12Å; I1127-S1131 PolarHBondContact O-OG 2.77Å; I1128-S1131 PolarHBondContact O-N 3.46Å; K1129-S1131 VanDerWaalsContact C-N 3.27Å; K1129-S1131 PolarHBondContact O-N 3.32Å; S1131-E1133 VanDerWaalsContact C-N 3.31Å; S1131-E1133 PolarHBondContact O-N 3.34Å; S1131-H1134 PolarHBondContact O-N 3.26Å; S1131-L1135 VanDerWaalsContact O-CB 3.23Å; S1131-L1135 WeakPolarHBondContact O-CB 3.36Å; S1131-L1135 WeakPolarHBondContact O-CG 3.43Å; S1131-L1135 PolarHBondContact O-N 3.06Å
1132	T	97.7	Very high	96.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-71.8	-23.9	176.3	56.2	0	0	0	0	112.9	R903 I1112 I1128 K1129 L1158 C1160	R903-T1132 PolarHBondContact NH1-O 3.18Å; R903-T1132 VanDerWaalsContact NH1-O 3.15Å; R903-T1132 PolarHBondContact NH1-OG1 3.39Å; R903-T1132 PolarHBondContact NH2-O 3.34Å; I1112-T1132 HydrophobicContact CD1-CG2 4.17Å; I1128-T1132 PolarHBondContact O-N 3.12Å; I1128-T1132 PolarHBondContact O-OG1 3.29Å; K1129-T1132 PolarHBondContact O-N 3.35Å; K1129-T1132 PolarHBondContact O-OG1 2.92Å; T1132-L1158 WeakPolarHBondContact CB-O 3.49Å; T1132-L1158 PolarHBondContact OG1-O 3.31Å; T1132-C1160 WeakPolarHBondContact CG2-SG 3.47Å
1133	E	97.1	Very high	96.2	Very high	91 Å²	91	33 Å²	33	43%	0.425	15%	0.153	S	C	.	.	H	α-helix	trans	-68.4	-33.3	173.6	-76.6	171.4	162.8	0	0	112.6	R903 K1129 L1130 S1131	R903-E1133 VanDerWaalsContact NH1-CG 3.31Å; K1129-E1133 WeakPolarHBondContact CE-OE1 3.48Å; K1129-E1133 HydrophobicContact CG-CG 4.35Å; K1129-E1133 IonicContact NZ-OE1 3.8Å; K1129-E1133 WeakPolarHBondContact O-CB 3.44Å; K1129-E1133 VanDerWaalsContact O-CG 3.26Å; K1129-E1133 WeakPolarHBondContact O-CG 3.26Å; K1129-E1133 PolarHBondContact O-N 2.75Å; L1130-E1133 PolarHBondContact O-N 2.74Å; S1131-E1133 VanDerWaalsContact C-N 3.31Å; S1131-E1133 PolarHBondContact O-N 3.34Å
1134	H	97.6	Very high	96.2	Very high	67 Å²	67	32 Å²	32	31%	0.31	15%	0.147	S	C	.	.	H	α-helix	trans	-101.1	-18.1	-178.2	-62.9	78.2	0	0	0	114	I1097 L1130 S1131	I1097-H1134 HydrophobicContact CD1-CB 4.08Å; I1097-H1134 HydrophobicContact CG2-CB 3.87Å; L1130-H1134 PolarHBondContact O-N 3.34Å; L1130-H1134 PolarHBondContact O-ND1 3.33Å; S1131-H1134 PolarHBondContact O-N 3.26Å
1135	L	97.3	Very high	95.9	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.031	16%	0.162	C	C	.	.	S	Bend	trans	-77.7	153.2	174.9	-76.7	175.1	0	0	0	112.5	T1084 I1097 F1110 I1112 S1131 R1141	T1084-L1135 HydrophobicContact CG2-CD2 4.15Å; I1097-L1135 HydrophobicContact CD1-CG 4.4Å; I1097-L1135 HydrophobicContact CG1-CD2 4.3Å; I1097-L1135 HydrophobicContact CG1-CG 4.48Å; I1097-L1135 HydrophobicContact CG2-CD2 4.1Å; F1110-L1135 HydrophobicContact CB-CD1 4.06Å; F1110-L1135 HydrophobicContact CB-CD2 3.54Å; F1110-L1135 HydrophobicContact CB-CG 4.4Å; F1110-L1135 HydrophobicContact CD1-CD2 3.63Å; F1110-L1135 HydrophobicContact CD2-CD2 4.31Å; F1110-L1135 HydrophobicContact CE1-CD2 4.41Å; F1110-L1135 HydrophobicContact CG-CD2 3.57Å; I1112-L1135 HydrophobicContact CD1-CD1 4.24Å; I1112-L1135 HydrophobicContact CG1-CD1 3.94Å; S1131-L1135 VanDerWaalsContact O-CB 3.23Å; S1131-L1135 WeakPolarHBondContact O-CB 3.36Å; S1131-L1135 WeakPolarHBondContact O-CG 3.43Å; S1131-L1135 PolarHBondContact O-N 3.06Å; L1135-R1141 HydrophobicContact CB-CG 4.18Å; L1135-R1141 HydrophobicContact CD1-CG 4.34Å
1136	P	95.1	Very high	95.7	Very high	12 Å²	12	32.5 Å²	32.5	8%	0.078	16%	0.159	C	C	.	.			trans	-65.2	153.2	-172.2	-14	26.2	0	0	0	113.6	L1101 K1104 F1110 D1138 R1139 R1141	L1101-P1136 HydrophobicContact CD2-CG 3.64Å; K1104-P1136 HydrophobicContact CD-CG 4.25Å; F1110-P1136 HydrophobicContact CD2-CG 4.09Å; F1110-P1136 HydrophobicContact CE2-CG 3.71Å; F1110-P1136 HydrophobicContact CZ-CG 4.35Å; P1136-D1138 VanDerWaalsContact CB-OD1 3.23Å; P1136-D1138 WeakPolarHBondContact CB-OD1 3.26Å; P1136-R1139 HydrophobicContact CB-CB 4.13Å; P1136-R1139 HydrophobicContact CB-CG 4.25Å; P1136-R1139 HydrophobicContact CG-CB 4.29Å; P1136-R1139 HydrophobicContact CG-CG 4.31Å; P1136-R1141 PolarHBondContact O-NH1 3.07Å
1137	L	93.9	Very high	95.5	Very high	90 Å²	90	26.4 Å²	26.4	47%	0.471	14%	0.137	S	C	.	.	S	Bend	trans	-77.7	-41.2	167.9	-62	-177.9	0	0	0	111.4	R905 R1139	R905-L1137 PolarHBondContact NH1-O 2.98Å; L1137-R1139 PolarHBondContact O-N 3.46Å
1138	D	93.1	Very high	95.3	Very high	74 Å²	74	31.2 Å²	31.2	40%	0.396	16%	0.157	S	C	.	.	S	Bend	trans	-74	18.6	-179.8	63.4	-51.5	0	0	0	115.1	K1104 P1136	K1104-D1138 WeakPolarHBondContact CE-OD1 3.48Å; K1104-D1138 WeakPolarHBondContact CE-OD2 3.38Å; K1104-D1138 IonicContact NZ-OD1 3.37Å; K1104-D1138 PolarHBondContact NZ-OD1 2.93Å; K1104-D1138 IonicContact NZ-OD2 3.62Å; K1104-D1138 PolarHBondContact NZ-OD2 2.69Å; P1136-D1138 VanDerWaalsContact CB-OD1 3.23Å; P1136-D1138 WeakPolarHBondContact CB-OD1 3.26Å
1139	R	94.2	Very high	95.2	Very high	58 Å²	58	31.9 Å²	31.9	22%	0.219	16%	0.162	C	C	.	.	S	Bend	trans	-143.5	150.7	179	-70	-63.6	-164.9	-110.3	8.3	111.7	R905 L1107 A1108 F1110 P1136 L1137	R905-R1139 PolarHBondContact NH2-O 3.19Å; L1107-R1139 PolarHBondContact O-NE 3.07Å; L1107-R1139 PolarHBondContact O-NH2 2.62Å; A1108-R1139 WeakPolarHBondContact O-CD 3.19Å; F1110-R1139 HydrophobicContact CD2-CB 4.19Å; F1110-R1139 HydrophobicContact CD2-CG 4.46Å; F1110-R1139 HydrophobicContact CE2-CB 4.41Å; F1110-R1139 HydrophobicContact CE2-CG 4.2Å; P1136-R1139 HydrophobicContact CB-CB 4.13Å; P1136-R1139 HydrophobicContact CB-CG 4.25Å; P1136-R1139 HydrophobicContact CG-CB 4.29Å; P1136-R1139 HydrophobicContact CG-CG 4.31Å; L1137-R1139 PolarHBondContact O-N 3.46Å
1140	P	96.9	Very high	95	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.			trans	-71.8	147.5	173	30.1	-36.3	0	0	0	112.6	F893 L909 F1081 A1108 F1110 D1161 M1162	F893-P1140 HydrophobicContact CD2-CB 4.37Å; F893-P1140 HydrophobicContact CE2-CB 4.05Å; L909-P1140 HydrophobicContact CD2-CB 3.97Å; L909-P1140 HydrophobicContact CD2-CG 3.82Å; F1081-P1140 HydrophobicContact CE1-CG 4.34Å; F1081-P1140 HydrophobicContact CE2-CB 4.47Å; F1081-P1140 HydrophobicContact CE2-CG 3.93Å; F1081-P1140 HydrophobicContact CZ-CB 4.35Å; F1081-P1140 HydrophobicContact CZ-CG 3.48Å; F1081-P1140 VanDerWaalsContact CZ-CG 3.48Å; A1108-P1140 WeakPolarHBondContact O-CD 3.41Å; F1110-P1140 PolarHBondContact N-O 2.87Å; F1110-P1140 VanDerWaalsContact N-O 3.08Å; P1140-D1161 WeakPolarHBondContact CA-OD2 3.46Å; P1140-M1162 HydrophobicContact CB-SD 3.99Å
1141	R	97.9	Very high	94.9	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	106.1	-176.2	-60.3	-179.6	-64.4	-104.2	3.6	110	R905 F1110 L1135 P1136 G1159 D1161 M1162	R905-R1141 VanDerWaalsContact CZ-CZ 3.45Å; R905-R1141 VanDerWaalsContact CZ-NH2 3.26Å; R905-R1141 VanDerWaalsContact NE-NH2 3.12Å; R905-R1141 VanDerWaalsContact NH2-CZ 3.31Å; F1110-R1141 WeakPolarHBondContact O-CA 3.21Å; L1135-R1141 HydrophobicContact CB-CG 4.18Å; L1135-R1141 HydrophobicContact CD1-CG 4.34Å; P1136-R1141 PolarHBondContact O-NH1 3.07Å; R1141-G1159 VanDerWaalsContact CZ-O 3.24Å; R1141-G1159 PolarHBondContact NE-O 3.11Å; R1141-G1159 PolarHBondContact NH2-O 3.43Å; R1141-D1161 WeakPolarHBondContact CB-OD2 3.37Å; R1141-D1161 PolarHBondContact N-OD2 2.93Å; R1141-D1161 PolarHBondContact O-N 3.21Å; R1141-M1162 PolarHBondContact O-N 3.2Å
1142	Y	97.8	Very high	94.9	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.2	-172.4	170.5	-155.8	0	0	0	111.8	M925 L950 L982 M1036 F1110 A1111 I1112 M1144 M1162 D1164	M925-Y1142 HydrophobicContact CE-CD2 3.71Å; M925-Y1142 HydrophobicContact CE-CE1 4.18Å; M925-Y1142 HydrophobicContact CE-CE2 3.29Å; M925-Y1142 HydrophobicContact CE-CG 4.33Å; L950-Y1142 WeakPolarHBondContact CD1-OH 3.43Å; L982-Y1142 HydrophobicContact CD1-CD1 3.98Å; L982-Y1142 HydrophobicContact CD1-CE1 3.72Å; L982-Y1142 HydrophobicContact CD2-CE1 3.94Å; M1036-Y1142 HydrophobicContact CE-CD1 4.27Å; M1036-Y1142 HydrophobicContact CE-CE1 4.37Å; M1036-Y1142 HydrophobicContact SD-CD1 4.05Å; M1036-Y1142 HydrophobicContact SD-CE1 3.94Å; F1110-Y1142 PolarHBondContact O-N 3.32Å; A1111-Y1142 CarbonylContact C-O 3.52Å; A1111-Y1142 WeakPolarHBondContact CA-O 3.47Å; A1111-Y1142 HydrophobicContact CB-CD1 3.83Å; A1111-Y1142 HydrophobicContact CB-CG 4.18Å; I1112-Y1142 PolarHBondContact N-O 3.38Å; Y1142-M1144 HydrophobicContact CD1-CG 4.33Å; Y1142-M1144 HydrophobicContact CD2-CG 4.42Å; Y1142-M1144 HydrophobicContact CE1-CG 3.97Å; Y1142-M1144 HydrophobicContact CE2-CG 4.05Å; Y1142-M1162 WeakPolarHBondContact CA-O 3.34Å; Y1142-M1162 HydrophobicContact CD2-CB 3.94Å; Y1142-M1162 WeakPolarHBondContact CD2-O 3.16Å; Y1142-M1162 HydrophobicContact CG-CB 4.11Å; Y1142-D1164 HydrophobicContact CE2-CB 4.23Å; Y1142-D1164 PolarHBondContact OH-OD1 3.46Å
1143	V	95.6	Very high	94.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	119.6	173	-178.1	0	0	0	0	110.1	I1112 I1128 V1146 C1160 M1162 F1163	I1112-V1143 HydrophobicContact CD1-CG2 4.05Å; I1128-V1143 HydrophobicContact CD1-CB 4.35Å; I1128-V1143 HydrophobicContact CD1-CG1 3.6Å; I1128-V1143 HydrophobicContact CD1-CG2 3.7Å; V1143-V1146 HydrophobicContact CG1-CB 3.95Å; V1143-V1146 HydrophobicContact CG1-CG2 3.48Å; V1143-V1146 VanDerWaalsContact CG1-CG2 3.48Å; V1143-C1160 HydrophobicContact CG2-CB 3.64Å; V1143-C1160 WeakPolarHBondContact CG2-SG 3.3Å; V1143-M1162 PolarHBondContact N-O 3.34Å; V1143-F1163 HydrophobicContact CB-CD1 3.99Å; V1143-F1163 HydrophobicContact CB-CE1 4.08Å; V1143-F1163 HydrophobicContact CG2-CE1 4.21Å
1144	M	92.5	Very high	94.9	Very high	39 Å²	39	26.1 Å²	26.1	19%	0.192	14%	0.136	C	C	.	.	S	Bend	trans	-84	138.5	-174.1	-58.1	178.3	72.9	0	0	111.8	I1083 A1111 Y1142 V1146	I1083-M1144 HydrophobicContact CD1-CE 4.32Å; I1083-M1144 HydrophobicContact CD1-SD 4.22Å; I1083-M1144 HydrophobicContact CG1-SD 4.15Å; I1083-M1144 HydrophobicContact CG2-SD 3.97Å; A1111-M1144 HydrophobicContact CB-CG 4.21Å; A1111-M1144 HydrophobicContact CB-SD 3.95Å; Y1142-M1144 HydrophobicContact CD1-CG 4.33Å; Y1142-M1144 HydrophobicContact CD2-CG 4.42Å; Y1142-M1144 HydrophobicContact CE1-CG 3.97Å; Y1142-M1144 HydrophobicContact CE2-CG 4.05Å; M1144-V1146 VanDerWaalsContact C-N 3.29Å; M1144-V1146 PolarHBondContact O-N 3.21Å
1145	G	88.1	Confident	95	Very high	32 Å²	32	22.9 Å²	22.9	33%	0.33	12%	0.121	S	C	.	.	S	Bend	trans	78.7	-7	173.9	0	0	0	0	0	116.8	D1164 C1165	G1145-D1164 CarbonylContact C-O 3.51Å; G1145-D1164 WeakPolarHBondContact CA-O 3.36Å; G1145-D1164 PolarHBondContact N-O 2.66Å; G1145-D1164 PolarHBondContact N-OD1 3.08Å; G1145-C1165 PolarHBondContact O-SG 3.38Å
1146	V	91.8	Very high	95	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.018	12%	0.12	C	C	.	.			trans	-87.4	126.3	-173.8	174.9	0	0	0	0	112.3	F1124 V1143 M1144 D1151 L1152 D1164	F1124-V1146 HydrophobicContact CE2-CG2 3.75Å; F1124-V1146 HydrophobicContact CZ-CG1 4.47Å; F1124-V1146 HydrophobicContact CZ-CG2 3.74Å; V1143-V1146 HydrophobicContact CG1-CB 3.95Å; V1143-V1146 HydrophobicContact CG1-CG2 3.48Å; V1143-V1146 VanDerWaalsContact CG1-CG2 3.48Å; M1144-V1146 VanDerWaalsContact C-N 3.29Å; M1144-V1146 PolarHBondContact O-N 3.21Å; V1146-D1151 HydrophobicContact CG1-CB 3.56Å; V1146-L1152 HydrophobicContact CG1-CD2 4.22Å; V1146-D1164 CarbonylContact C-O 3.59Å; V1146-D1164 PolarHBondContact N-O 3.14Å; V1146-D1164 VanDerWaalsContact O-O 3.06Å
1147	G	91.2	Very high	95.2	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.01	12%	0.116	C	C	.	.			trans	-166	25	179	0	0	0	0	0	116.6	Y1167 M1239	G1147-Y1167 VanDerWaalsContact O-CD1 3.23Å; G1147-Y1167 WeakPolarHBondContact O-CD1 3.22Å; G1147-M1239 WeakPolarHBondContact O-CE 3.27Å
1148	F	92.9	Very high	95.4	Very high	106 Å²	106	17.8 Å²	17.8	47%	0.465	9%	0.093	S	C	.	.			trans	-78.9	141.3	158.7	-70.9	-80.6	0	0	0	108.9	I1150 D1151 L1152 Y1167	F1148-I1150 VanDerWaalsContact C-N 3.3Å; F1148-I1150 PolarHBondContact O-N 3.19Å; F1148-D1151 HydrophobicContact CB-CB 4.25Å; F1148-D1151 WeakPolarHBondContact O-CB 3.3Å; F1148-D1151 PolarHBondContact O-N 3.3Å; F1148-D1151 VanDerWaalsContact O-N 3.12Å; F1148-L1152 WeakPolarHBondContact O-CG 3.32Å; F1148-L1152 PolarHBondContact O-N 3.28Å; F1148-Y1167 HydrophobicContact CD1-CD1 4.41Å; F1148-Y1167 HydrophobicContact CD1-CD2 4.33Å; F1148-Y1167 HydrophobicContact CD1-CE1 4.03Å; F1148-Y1167 AromaticContact CD1-CE2 3.97Å; F1148-Y1167 HydrophobicContact CD1-CE2 3.97Å; F1148-Y1167 AromaticContact CD1-CZ 3.8Å; F1148-Y1167 AromaticContact CE1-CD2 3.81Å; F1148-Y1167 HydrophobicContact CE1-CD2 3.81Å; F1148-Y1167 HydrophobicContact CE1-CE1 4.35Å; F1148-Y1167 AromaticContact CE1-CE2 3.43Å; F1148-Y1167 HydrophobicContact CE1-CE2 3.43Å; F1148-Y1167 VanDerWaalsContact CE1-CE2 3.43Å; F1148-Y1167 HydrophobicContact CE1-CG 4.42Å; F1148-Y1167 AromaticContact CE1-CZ 3.73Å; F1148-Y1167 HydrophobicContact CZ-CD2 4.17Å; F1148-Y1167 HydrophobicContact CZ-CE2 4.18Å
1149	P	95	Very high	95.6	Very high	15 Å²	15	14.3 Å²	14.3	10%	0.097	8%	0.075	C	C	.	.	H	α-helix	trans	-57.4	-39.2	-175.7	-29.5	38	0	0	0	114.3	L1152 V1153 Y1238 M1239 L1242 F1262	P1149-L1152 PolarHBondContact O-N 3.17Å; P1149-V1153 PolarHBondContact O-N 2.84Å; P1149-Y1238 HydrophobicContact CB-CE1 4.48Å; P1149-Y1238 HydrophobicContact CG-CE1 3.79Å; P1149-M1239 HydrophobicContact CG-SD 4.31Å; P1149-L1242 HydrophobicContact CB-CD2 4Å; P1149-F1262 HydrophobicContact CB-CE2 4.28Å; P1149-F1262 HydrophobicContact CB-CZ 3.87Å; P1149-F1262 WeakPolarHBondContact O-CZ 3.45Å
1150	I	94.5	Very high	95.8	Very high	28 Å²	28	11.6 Å²	11.6	14%	0.144	7%	0.065	C	C	.	.	H	α-helix	trans	-62.4	-49	176.5	-67	173.2	0	0	0	110.3	F1148 L1152 V1153 V1154 F1262 F1263 W1287 A1288	F1148-I1150 VanDerWaalsContact C-N 3.3Å; F1148-I1150 PolarHBondContact O-N 3.19Å; I1150-L1152 VanDerWaalsContact C-N 3.29Å; I1150-L1152 PolarHBondContact O-N 3.34Å; I1150-V1153 PolarHBondContact O-N 2.9Å; I1150-V1154 WeakPolarHBondContact O-CG2 3.42Å; I1150-V1154 PolarHBondContact O-N 3.44Å; I1150-F1262 HydrophobicContact CG1-CE1 4.14Å; I1150-F1263 HydrophobicContact CG1-CE1 4.33Å; I1150-F1263 HydrophobicContact CG2-CE1 4Å; I1150-F1263 HydrophobicContact CG2-CZ 3.9Å; I1150-W1287 HydrophobicContact CG2-CH2 3.96Å; I1150-W1287 HydrophobicContact CG2-CZ2 3.78Å; I1150-A1288 HydrophobicContact CG2-CB 4.38Å
1151	D	94.9	Very high	95.9	Very high	14 Å²	14	11.7 Å²	11.7	8%	0.075	7%	0.065	C	C	.	.	H	α-helix	trans	-58.6	-40.9	179.2	-62.6	-11.5	0	0	0	112	K1121 V1146 F1148 C1155 W1287	K1121-D1151 IonicContact NZ-OD1 3.79Å; K1121-D1151 PolarHBondContact NZ-OD1 3.18Å; K1121-D1151 IonicContact NZ-OD2 3.43Å; K1121-D1151 PolarHBondContact NZ-OD2 2.85Å; V1146-D1151 HydrophobicContact CG1-CB 3.56Å; F1148-D1151 HydrophobicContact CB-CB 4.25Å; F1148-D1151 WeakPolarHBondContact O-CB 3.3Å; F1148-D1151 PolarHBondContact O-N 3.3Å; F1148-D1151 VanDerWaalsContact O-N 3.12Å; D1151-C1155 VanDerWaalsContact O-CB 3.31Å; D1151-C1155 WeakPolarHBondContact O-CB 3.34Å; D1151-C1155 PolarHBondContact O-N 3.44Å; D1151-C1155 PolarHBondContact O-SG 3.08Å; D1151-W1287 VanDerWaalsContact OD1-CH2 3.25Å; D1151-W1287 WeakPolarHBondContact OD1-CH2 3.34Å; D1151-W1287 WeakPolarHBondContact OD1-CZ2 3.37Å
1152	L	97.3	Very high	95.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.4	-48.6	178.1	-68.1	175.5	0	0	0	111.8	F924 V1146 F1148 P1149 I1150 V1154 C1155 I1156 F1163 M1239 M1243	F924-L1152 HydrophobicContact CD2-CD1 4.12Å; V1146-L1152 HydrophobicContact CG1-CD2 4.22Å; F1148-L1152 WeakPolarHBondContact O-CG 3.32Å; F1148-L1152 PolarHBondContact O-N 3.28Å; P1149-L1152 PolarHBondContact O-N 3.17Å; I1150-L1152 VanDerWaalsContact C-N 3.29Å; I1150-L1152 PolarHBondContact O-N 3.34Å; L1152-V1154 VanDerWaalsContact C-N 3.35Å; L1152-V1154 PolarHBondContact O-N 3.08Å; L1152-C1155 PolarHBondContact O-N 3.48Å; L1152-I1156 WeakPolarHBondContact O-CB 3.29Å; L1152-I1156 WeakPolarHBondContact O-CD1 3.36Å; L1152-I1156 WeakPolarHBondContact O-CG1 3.39Å; L1152-I1156 PolarHBondContact O-N 3.01Å; L1152-F1163 HydrophobicContact CD2-CB 3.47Å; L1152-F1163 VanDerWaalsContact CD2-CB 3.47Å; L1152-F1163 HydrophobicContact CD2-CD1 3.47Å; L1152-F1163 VanDerWaalsContact CD2-CD1 3.47Å; L1152-F1163 HydrophobicContact CD2-CD2 3.77Å; L1152-F1163 HydrophobicContact CD2-CE1 4.12Å; L1152-F1163 HydrophobicContact CD2-CE2 4.39Å; L1152-F1163 HydrophobicContact CD2-CG 3.26Å; L1152-M1239 HydrophobicContact CD1-CE 3.33Å; L1152-M1243 HydrophobicContact CB-CE 4.22Å; L1152-M1243 HydrophobicContact CD1-CE 4.02Å
1153	V	97.8	Very high	95.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62	-42.8	179.6	171.7	0	0	0	0	111.6	P1149 I1150 I1156 A1157 I1246 F1258 V1259 F1262 F1263	P1149-V1153 PolarHBondContact O-N 2.84Å; I1150-V1153 PolarHBondContact O-N 2.9Å; V1153-I1156 PolarHBondContact O-N 2.99Å; V1153-A1157 PolarHBondContact O-N 3.17Å; V1153-I1246 HydrophobicContact CG2-CD1 3.93Å; V1153-F1258 HydrophobicContact CG2-CE1 4.37Å; V1153-V1259 HydrophobicContact CG1-CB 4.46Å; V1153-V1259 HydrophobicContact CG1-CG1 4.24Å; V1153-V1259 HydrophobicContact CG1-CG2 3.77Å; V1153-F1262 HydrophobicContact CB-CD1 4.46Å; V1153-F1262 HydrophobicContact CB-CE1 4.24Å; V1153-F1262 HydrophobicContact CB-CZ 4.3Å; V1153-F1262 HydrophobicContact CG1-CD1 4.38Å; V1153-F1262 HydrophobicContact CG2-CD1 4.14Å; V1153-F1262 HydrophobicContact CG2-CD2 3.68Å; V1153-F1262 HydrophobicContact CG2-CE1 3.94Å; V1153-F1262 HydrophobicContact CG2-CE2 3.44Å; V1153-F1262 VanDerWaalsContact CG2-CE2 3.44Å; V1153-F1262 HydrophobicContact CG2-CG 4.06Å; V1153-F1262 HydrophobicContact CG2-CZ 3.6Å; V1153-F1263 HydrophobicContact CG1-CE2 4.43Å
1154	V	98	Very high	95.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.6	-48.7	176.8	177.7	0	0	0	0	111.1	I1150 L1152 I1156 A1157 L1158 F1263 W1287 A1288 A1291 L1292	I1150-V1154 WeakPolarHBondContact O-CG2 3.42Å; I1150-V1154 PolarHBondContact O-N 3.44Å; L1152-V1154 VanDerWaalsContact C-N 3.35Å; L1152-V1154 PolarHBondContact O-N 3.08Å; V1154-I1156 VanDerWaalsContact C-N 3.29Å; V1154-I1156 PolarHBondContact O-N 2.86Å; V1154-A1157 WeakPolarHBondContact O-CB 3.47Å; V1154-A1157 PolarHBondContact O-N 2.65Å; V1154-A1157 VanDerWaalsContact O-N 3.13Å; V1154-L1158 HydrophobicContact CG1-CD1 4.18Å; V1154-L1158 HydrophobicContact CG1-CG 4.49Å; V1154-L1158 WeakPolarHBondContact O-CG 3.43Å; V1154-L1158 PolarHBondContact O-N 3Å; V1154-F1263 HydrophobicContact CG2-CZ 4.37Å; V1154-W1287 HydrophobicContact CB-CZ3 4.2Å; V1154-W1287 HydrophobicContact CG1-CZ3 3.99Å; V1154-W1287 HydrophobicContact CG2-CH2 4.25Å; V1154-W1287 HydrophobicContact CG2-CZ3 4.14Å; V1154-A1288 HydrophobicContact CG2-CB 4.09Å; V1154-A1291 HydrophobicContact CG1-CB 3.47Å; V1154-A1291 VanDerWaalsContact CG1-CB 3.47Å; V1154-L1292 HydrophobicContact CG2-CD1 4.21Å; V1154-L1292 HydrophobicContact CG2-CD2 4.41Å; V1154-L1292 HydrophobicContact CG2-CG 4.15Å
1155	C	98.2	Very high	95.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.6	-31.5	179.3	-68.5	0	0	0	0	112.9	I1128 D1151 L1152 L1158 G1159 C1160 F1163	I1128-C1155 HydrophobicContact CG2-CB 4.41Å; D1151-C1155 VanDerWaalsContact O-CB 3.31Å; D1151-C1155 WeakPolarHBondContact O-CB 3.34Å; D1151-C1155 PolarHBondContact O-N 3.44Å; D1151-C1155 PolarHBondContact O-SG 3.08Å; L1152-C1155 PolarHBondContact O-N 3.48Å; C1155-L1158 CarbonylContact O-C 3.39Å; C1155-L1158 PolarHBondContact O-N 3.42Å; C1155-G1159 PolarHBondContact O-N 2.71Å; C1155-C1160 HydrophobicContact CB-CB 4.2Å; C1155-C1160 WeakPolarHBondContact O-CB 3.29Å; C1155-C1160 PolarHBondContact O-N 3.45Å; C1155-C1160 PolarHBondContact O-SG 3.5Å; C1155-F1163 HydrophobicContact CB-CE1 3.66Å; C1155-F1163 HydrophobicContact CB-CZ 4.12Å
1156	I	98.6	Very high	95.7	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-67.1	-43.3	172.2	-68.3	162.7	0	0	0	110.5	A904 P922 L1152 V1153 V1154 L1158 G1159 F1163 M1243 I1246 I1250 F1255	A904-I1156 WeakPolarHBondContact CA-O 3.37Å; A904-I1156 HydrophobicContact CB-CG2 3.76Å; A904-I1156 WeakPolarHBondContact CB-O 3.33Å; A904-I1156 PolarHBondContact N-O 3.44Å; P922-I1156 HydrophobicContact CB-CD1 3.64Å; P922-I1156 HydrophobicContact CB-CG1 3.8Å; P922-I1156 HydrophobicContact CB-CG2 4.49Å; P922-I1156 HydrophobicContact CG-CD1 3.79Å; P922-I1156 HydrophobicContact CG-CG1 4.17Å; P922-I1156 HydrophobicContact CG-CG2 4.11Å; L1152-I1156 WeakPolarHBondContact O-CB 3.29Å; L1152-I1156 WeakPolarHBondContact O-CD1 3.36Å; L1152-I1156 WeakPolarHBondContact O-CG1 3.39Å; L1152-I1156 PolarHBondContact O-N 3.01Å; V1153-I1156 PolarHBondContact O-N 2.99Å; V1154-I1156 VanDerWaalsContact C-N 3.29Å; V1154-I1156 PolarHBondContact O-N 2.86Å; I1156-L1158 PolarHBondContact O-N 2.89Å; I1156-G1159 WeakPolarHBondContact O-CA 3.48Å; I1156-G1159 PolarHBondContact O-N 3.5Å; I1156-F1163 HydrophobicContact CD1-CE2 3.91Å; I1156-F1163 HydrophobicContact CD1-CZ 4.32Å; I1156-F1163 HydrophobicContact CG1-CE2 3.52Å; I1156-F1163 HydrophobicContact CG1-CZ 3.54Å; I1156-M1243 HydrophobicContact CD1-CE 3.84Å; I1156-M1243 HydrophobicContact CD1-SD 4.2Å; I1156-I1246 HydrophobicContact CD1-CD1 3.76Å; I1156-I1246 HydrophobicContact CD1-CG2 4.18Å; I1156-I1246 HydrophobicContact CG2-CG2 3.92Å; I1156-I1250 HydrophobicContact CG2-CD1 4.29Å; I1156-F1255 HydrophobicContact CG2-CE2 4.12Å; I1156-F1255 HydrophobicContact CG2-CZ 4.02Å
1157	A	98.4	Very high	95.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.8	-32.5	174.4	0	0	0	0	0	113	R903 V1153 V1154 G1159 F1255 L1292 V1295	R903-A1157 PolarHBondContact N-O 3.15Å; V1153-A1157 PolarHBondContact O-N 3.17Å; V1154-A1157 WeakPolarHBondContact O-CB 3.47Å; V1154-A1157 PolarHBondContact O-N 2.65Å; V1154-A1157 VanDerWaalsContact O-N 3.13Å; A1157-G1159 VanDerWaalsContact C-N 3.29Å; A1157-F1255 HydrophobicContact CB-CE1 3.76Å; A1157-F1255 HydrophobicContact CB-CZ 4.06Å; A1157-L1292 HydrophobicContact CB-CD2 3.57Å; A1157-V1295 HydrophobicContact CB-CG2 3.99Å
1158	L	98.2	Very high	95.7	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-6.3	171.5	-61.3	178	0	0	0	113.8	W1125 I1128 K1129 T1132 V1154 C1155 I1156 V1295	W1125-L1158 HydrophobicContact CB-CD1 4.24Å; I1128-L1158 HydrophobicContact CB-CD1 4.21Å; I1128-L1158 HydrophobicContact CG2-CB 4.08Å; I1128-L1158 HydrophobicContact CG2-CD1 3.77Å; K1129-L1158 HydrophobicContact CB-CD1 4.24Å; K1129-L1158 HydrophobicContact CB-CD2 3.99Å; K1129-L1158 HydrophobicContact CD-CD2 4.12Å; K1129-L1158 HydrophobicContact CG-CD2 4.18Å; T1132-L1158 WeakPolarHBondContact CB-O 3.49Å; T1132-L1158 PolarHBondContact OG1-O 3.31Å; V1154-L1158 HydrophobicContact CG1-CD1 4.18Å; V1154-L1158 HydrophobicContact CG1-CG 4.49Å; V1154-L1158 WeakPolarHBondContact O-CG 3.43Å; V1154-L1158 PolarHBondContact O-N 3Å; C1155-L1158 CarbonylContact O-C 3.39Å; C1155-L1158 PolarHBondContact O-N 3.42Å; I1156-L1158 PolarHBondContact O-N 2.89Å; L1158-V1295 HydrophobicContact CD2-CG1 3.83Å; L1158-V1295 HydrophobicContact CD2-CG2 4.4Å
1159	G	97.9	Very high	95.6	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.1	33.4	170.8	0	0	0	0	0	116.5	R903 R1141 C1155 I1156 A1157	R903-G1159 WeakPolarHBondContact O-CA 3.19Å; R1141-G1159 VanDerWaalsContact CZ-O 3.24Å; R1141-G1159 PolarHBondContact NE-O 3.11Å; R1141-G1159 PolarHBondContact NH2-O 3.43Å; C1155-G1159 PolarHBondContact O-N 2.71Å; I1156-G1159 WeakPolarHBondContact O-CA 3.48Å; I1156-G1159 PolarHBondContact O-N 3.5Å; A1157-G1159 VanDerWaalsContact C-N 3.29Å
1160	C	98.3	Very high	95.3	Very high	2 Å²	2	16 Å²	16	1%	0.014	8%	0.075	C	C	.	.			trans	-96.5	144.6	173.2	-57	0	0	0	0	112.5	T1132 V1143 C1155 F1163	T1132-C1160 WeakPolarHBondContact CG2-SG 3.47Å; V1143-C1160 HydrophobicContact CG2-CB 3.64Å; V1143-C1160 WeakPolarHBondContact CG2-SG 3.3Å; C1155-C1160 HydrophobicContact CB-CB 4.2Å; C1155-C1160 WeakPolarHBondContact O-CB 3.29Å; C1155-C1160 PolarHBondContact O-N 3.45Å; C1155-C1160 PolarHBondContact O-SG 3.5Å; C1160-F1163 HydrophobicContact CB-CE1 3.65Å; C1160-F1163 HydrophobicContact CB-CZ 3.49Å; C1160-F1163 VanDerWaalsContact CB-CZ 3.49Å; C1160-F1163 WeakPolarHBondContact O-CZ 3.43Å
1161	D	98.3	Very high	95.1	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	7%	0.072	C	C	.	.			trans	-114.6	-29.9	-166.3	-42.6	-58.6	0	0	0	113.8	R905 T921 P922 V923 P1140 R1141	R905-D1161 IonicContact CZ-OD1 2.59Å; R905-D1161 IonicContact CZ-OD2 3.87Å; R905-D1161 IonicContact NE-OD1 2.72Å; R905-D1161 PolarHBondContact NE-OD1 2.99Å; R905-D1161 IonicContact NE-OD2 3.5Å; R905-D1161 IonicContact NH2-OD1 3.58Å; R905-D1161 PolarHBondContact NH2-OD1 3.25Å; R905-D1161 IonicContact NH2-OD2 2.89Å; R905-D1161 PolarHBondContact NH2-OD2 3.28Å; T921-D1161 HydrophobicContact CG2-CB 4.32Å; P922-D1161 CarbonylContact C-O 3.17Å; P922-D1161 WeakPolarHBondContact CA-O 3.13Å; V923-D1161 PolarHBondContact N-O 2.89Å; P1140-D1161 WeakPolarHBondContact CA-OD2 3.46Å; R1141-D1161 WeakPolarHBondContact CB-OD2 3.37Å; R1141-D1161 PolarHBondContact N-OD2 2.93Å; R1141-D1161 PolarHBondContact O-N 3.21Å
1162	M	98.2	Very high	94.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.4	-175.6	-60	169	65	0	0	109.7	L909 T921 V923 M925 L982 I1034 F1081 P1140 R1141 Y1142 V1143	L909-M1162 HydrophobicContact CD1-CE 4.48Å; L909-M1162 HydrophobicContact CD1-CG 4.22Å; L909-M1162 HydrophobicContact CD1-SD 3.75Å; T921-M1162 HydrophobicContact CG2-CG 4.4Å; V923-M1162 HydrophobicContact CG1-CB 4.24Å; V923-M1162 HydrophobicContact CG1-CG 3.84Å; M925-M1162 HydrophobicContact CE-CB 4.1Å; M925-M1162 HydrophobicContact CE-CE 4Å; M925-M1162 HydrophobicContact SD-CE 3.57Å; M925-M1162 VanDerWaalsContact SD-CE 3.57Å; L982-M1162 HydrophobicContact CD1-CE 3.8Å; I1034-M1162 HydrophobicContact CD1-CE 3.82Å; F1081-M1162 HydrophobicContact CE2-CE 4.32Å; F1081-M1162 HydrophobicContact CE2-SD 3.9Å; F1081-M1162 HydrophobicContact CZ-SD 4.18Å; P1140-M1162 HydrophobicContact CB-SD 3.99Å; R1141-M1162 PolarHBondContact O-N 3.2Å; Y1142-M1162 WeakPolarHBondContact CA-O 3.34Å; Y1142-M1162 HydrophobicContact CD2-CB 3.94Å; Y1142-M1162 WeakPolarHBondContact CD2-O 3.16Å; Y1142-M1162 HydrophobicContact CG-CB 4.11Å; V1143-M1162 PolarHBondContact N-O 3.34Å
1163	F	97.2	Very high	94.5	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	146.2	-175.9	-53.3	-83	0	0	0	110.9	P922 V923 F924 M925 V1143 L1152 C1155 I1156 C1160 M1243	P922-F1163 HydrophobicContact CB-CE2 4.18Å; V923-F1163 PolarHBondContact O-N 2.95Å; F924-F1163 HydrophobicContact CD2-CB 4.28Å; M925-F1163 WeakPolarHBondContact CB-O 3.26Å; M925-F1163 WeakPolarHBondContact CG-O 3.47Å; M925-F1163 PolarHBondContact N-O 2.81Å; V1143-F1163 HydrophobicContact CB-CD1 3.99Å; V1143-F1163 HydrophobicContact CB-CE1 4.08Å; V1143-F1163 HydrophobicContact CG2-CE1 4.21Å; L1152-F1163 HydrophobicContact CD2-CB 3.47Å; L1152-F1163 VanDerWaalsContact CD2-CB 3.47Å; L1152-F1163 HydrophobicContact CD2-CD1 3.47Å; L1152-F1163 VanDerWaalsContact CD2-CD1 3.47Å; L1152-F1163 HydrophobicContact CD2-CD2 3.77Å; L1152-F1163 HydrophobicContact CD2-CE1 4.12Å; L1152-F1163 HydrophobicContact CD2-CE2 4.39Å; L1152-F1163 HydrophobicContact CD2-CG 3.26Å; C1155-F1163 HydrophobicContact CB-CE1 3.66Å; C1155-F1163 HydrophobicContact CB-CZ 4.12Å; I1156-F1163 HydrophobicContact CD1-CE2 3.91Å; I1156-F1163 HydrophobicContact CD1-CZ 4.32Å; I1156-F1163 HydrophobicContact CG1-CE2 3.52Å; I1156-F1163 HydrophobicContact CG1-CZ 3.54Å; C1160-F1163 HydrophobicContact CB-CE1 3.65Å; C1160-F1163 HydrophobicContact CB-CZ 3.49Å; C1160-F1163 VanDerWaalsContact CB-CZ 3.49Å; C1160-F1163 WeakPolarHBondContact O-CZ 3.43Å; F1163-M1243 HydrophobicContact CD2-SD 4.46Å
1164	D	94.2	Very high	94	Very high	22 Å²	22	26.2 Å²	26.2	12%	0.118	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146	171.1	94.5	-83.5	0	0	0	110.9	M925 L950 Y1142 G1145 V1146	M925-D1164 HydrophobicContact CE-CB 4.34Å; L950-D1164 HydrophobicContact CD1-CB 3.66Å; Y1142-D1164 HydrophobicContact CE2-CB 4.23Å; Y1142-D1164 PolarHBondContact OH-OD1 3.46Å; G1145-D1164 CarbonylContact C-O 3.51Å; G1145-D1164 WeakPolarHBondContact CA-O 3.36Å; G1145-D1164 PolarHBondContact N-O 2.66Å; G1145-D1164 PolarHBondContact N-OD1 3.08Å; V1146-D1164 CarbonylContact C-O 3.59Å; V1146-D1164 PolarHBondContact N-O 3.14Å; V1146-D1164 VanDerWaalsContact O-O 3.06Å
1165	C	90	Very high	93.7	Very high	19 Å²	19	26.2 Å²	26.2	13%	0.128	12%	0.116	C	C	.	.			trans	-161.7	148.4	162.8	-159.3	0	0	0	0	113.1	F924 G1145 Y1167	F924-C1165 HydrophobicContact CE2-CB 3.88Å; F924-C1165 HydrophobicContact CZ-CB 4.1Å; F924-C1165 WeakPolarHBondContact CZ-O 3.48Å; G1145-C1165 PolarHBondContact O-SG 3.38Å; C1165-Y1167 PolarHBondContact O-N 2.88Å; C1165-Y1167 VanDerWaalsContact SG-CB 3.54Å; C1165-Y1167 PolarHBondContact SG-N 3.15Å; C1165-Y1167 VanDerWaalsContact SG-N 3.35Å
1166	V	88.8	Confident	93.5	Very high	58 Å²	58	27.5 Å²	27.5	35%	0.352	12%	0.123	S	C	.	.	S	Bend	trans	-75	-6.6	166.3	-64	0	0	0	0	113.8	V927 R1170	V927-V1166 HydrophobicContact CB-CG1 4.26Å; V927-V1166 HydrophobicContact CG1-CG1 4.49Å; V927-V1166 HydrophobicContact CG2-CG1 3.88Å; V1166-R1170 WeakPolarHBondContact O-CB 3.17Å; V1166-R1170 PolarHBondContact O-N 2.97Å
1167	Y	90.8	Very high	93.4	Very high	29 Å²	29	27.5 Å²	27.5	11%	0.114	12%	0.122	C	C	.	.	H	α-helix	trans	-52.4	-48.5	-172.6	173.2	-110	0	0	0	114.7	G1147 F1148 C1165 T1169 R1170 T1171 L1178	G1147-Y1167 VanDerWaalsContact O-CD1 3.23Å; G1147-Y1167 WeakPolarHBondContact O-CD1 3.22Å; F1148-Y1167 HydrophobicContact CD1-CD1 4.41Å; F1148-Y1167 HydrophobicContact CD1-CD2 4.33Å; F1148-Y1167 HydrophobicContact CD1-CE1 4.03Å; F1148-Y1167 AromaticContact CD1-CE2 3.97Å; F1148-Y1167 HydrophobicContact CD1-CE2 3.97Å; F1148-Y1167 AromaticContact CD1-CZ 3.8Å; F1148-Y1167 AromaticContact CE1-CD2 3.81Å; F1148-Y1167 HydrophobicContact CE1-CD2 3.81Å; F1148-Y1167 HydrophobicContact CE1-CE1 4.35Å; F1148-Y1167 AromaticContact CE1-CE2 3.43Å; F1148-Y1167 HydrophobicContact CE1-CE2 3.43Å; F1148-Y1167 VanDerWaalsContact CE1-CE2 3.43Å; F1148-Y1167 HydrophobicContact CE1-CG 4.42Å; F1148-Y1167 AromaticContact CE1-CZ 3.73Å; F1148-Y1167 HydrophobicContact CZ-CD2 4.17Å; F1148-Y1167 HydrophobicContact CZ-CE2 4.18Å; C1165-Y1167 PolarHBondContact O-N 2.88Å; C1165-Y1167 VanDerWaalsContact SG-CB 3.54Å; C1165-Y1167 PolarHBondContact SG-N 3.15Å; C1165-Y1167 VanDerWaalsContact SG-N 3.35Å; Y1167-T1169 PolarHBondContact O-N 3.2Å; Y1167-R1170 PolarHBondContact O-N 3.08Å; Y1167-T1171 HydrophobicContact CE1-CG2 4.49Å; Y1167-T1171 HydrophobicContact CE2-CG2 4.26Å; Y1167-T1171 WeakPolarHBondContact O-CB 3.31Å; Y1167-T1171 PolarHBondContact O-N 2.79Å; Y1167-L1178 HydrophobicContact CE1-CD1 4.07Å; Y1167-L1178 HydrophobicContact CE1-CD2 3.67Å
1168	P	92	Very high	93.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.5	-45.4	-174.2	-25.8	37.1	0	0	0	113.4	F924 G1172 N1235 L1236 M1239	F924-P1168 HydrophobicContact CE1-CG 3.89Å; F924-P1168 HydrophobicContact CZ-CG 3.71Å; P1168-G1172 PolarHBondContact O-N 3.25Å; P1168-G1172 VanDerWaalsContact O-N 3.11Å; P1168-N1235 HydrophobicContact CB-CB 3.84Å; P1168-N1235 WeakPolarHBondContact O-CB 3.42Å; P1168-N1235 PolarHBondContact O-ND2 3.34Å; P1168-L1236 HydrophobicContact CB-CD2 3.89Å; P1168-L1236 HydrophobicContact CG-CD2 4.29Å; P1168-M1239 HydrophobicContact CB-CG 4.24Å; P1168-M1239 HydrophobicContact CG-CE 4.19Å; P1168-M1239 HydrophobicContact CG-CG 3.66Å; P1168-M1239 HydrophobicContact CG-SD 4.34Å
1169	T	91.1	Very high	93	Very high	7 Å²	7	27.6 Å²	27.6	4%	0.043	12%	0.123	C	C	.	.	H	α-helix	trans	-80.7	-26.6	179.2	76.6	0	0	0	0	112.4	A932 Y1167 R1173 S1232 L1236	A932-T1169 WeakPolarHBondContact O-CB 3.46Å; A932-T1169 PolarHBondContact O-OG1 2.93Å; Y1167-T1169 PolarHBondContact O-N 3.2Å; T1169-R1173 PolarHBondContact O-N 2.88Å; T1169-S1232 WeakPolarHBondContact CA-OG 3.4Å; T1169-S1232 PolarHBondContact O-OG 3.37Å; T1169-L1236 HydrophobicContact CG2-CD1 4.19Å; T1169-L1236 HydrophobicContact CG2-CD2 4.28Å; T1169-L1236 HydrophobicContact CG2-CG 4.23Å
1170	R	88.9	Confident	92.6	Very high	154 Å²	154	28.9 Å²	28.9	58%	0.581	13%	0.131	S	C	*	.	H	α-helix	trans	-69.2	-42.9	173.6	-172.4	177	-169.1	171.8	4.2	111.6	V1166 Y1167 R1173 F1174	V1166-R1170 WeakPolarHBondContact O-CB 3.17Å; V1166-R1170 PolarHBondContact O-N 2.97Å; Y1167-R1170 PolarHBondContact O-N 3.08Å; R1170-R1173 WeakPolarHBondContact O-CB 3.24Å; R1170-F1174 HydrophobicContact CG-CE2 4.38Å; R1170-F1174 WeakPolarHBondContact O-CD2 3.35Å
1171	T	90.2	Very high	92.1	Very high	12 Å²	12	31.7 Å²	31.7	7%	0.074	14%	0.141	C	C	.	.	H	α-helix	trans	-74.3	-37.5	179	-149.3	0	0	0	0	111.3	Y1167 R1173 F1174 G1175 N1176 L1178 N1235	Y1167-T1171 HydrophobicContact CE1-CG2 4.49Å; Y1167-T1171 HydrophobicContact CE2-CG2 4.26Å; Y1167-T1171 WeakPolarHBondContact O-CB 3.31Å; Y1167-T1171 PolarHBondContact O-N 2.79Å; T1171-R1173 VanDerWaalsContact C-N 3.31Å; T1171-R1173 PolarHBondContact O-N 3.17Å; T1171-F1174 WeakPolarHBondContact O-CA 3.15Å; T1171-F1174 PolarHBondContact O-N 3.44Å; T1171-G1175 PolarHBondContact O-N 3.15Å; T1171-N1176 CarbonylContact C-O 3.41Å; T1171-N1176 HydrophobicContact CG2-CB 4.36Å; T1171-N1176 PolarHBondContact O-N 3.31Å; T1171-N1176 WeakPolarHBondContact OG1-CB 3.41Å; T1171-L1178 HydrophobicContact CG2-CD2 4.14Å; T1171-L1178 HydrophobicContact CG2-CG 4.38Å; T1171-N1235 WeakPolarHBondContact CG2-ND2 3.18Å
1172	G	91.5	Very high	91.5	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.8	-34.8	173	0	0	0	0	0	114	P1168 F1174 G1175 N1235	P1168-G1172 PolarHBondContact O-N 3.25Å; P1168-G1172 VanDerWaalsContact O-N 3.11Å; G1172-F1174 PolarHBondContact O-N 2.85Å; G1172-G1175 PolarHBondContact O-N 3.13Å; G1172-N1235 WeakPolarHBondContact CA-ND2 3.49Å; G1172-N1235 PolarHBondContact N-ND2 2.88Å
1173	R	87.2	Confident	91.1	Very high	136 Å²	136	34.7 Å²	34.7	51%	0.513	16%	0.158	S	C	.	.	H	α-helix	trans	-58.1	-34.1	170.8	-174	-176.3	-176.7	173.2	6.7	113.1	T1169 R1170 T1171 G1175	T1169-R1173 PolarHBondContact O-N 2.88Å; R1170-R1173 WeakPolarHBondContact O-CB 3.24Å; T1171-R1173 VanDerWaalsContact C-N 3.31Å; T1171-R1173 PolarHBondContact O-N 3.17Å; R1173-G1175 VanDerWaalsContact C-N 3.31Å
1174	F	88.5	Confident	90.8	Very high	110 Å²	110	34.8 Å²	34.8	48%	0.482	16%	0.158	S	C	.	.	H	α-helix	trans	-82.4	-9	178.4	-66.6	-68.3	0	0	0	113.2	R1170 T1171 G1172 R1187	R1170-F1174 HydrophobicContact CG-CE2 4.38Å; R1170-F1174 WeakPolarHBondContact O-CD2 3.35Å; T1171-F1174 WeakPolarHBondContact O-CA 3.15Å; T1171-F1174 PolarHBondContact O-N 3.44Å; G1172-F1174 PolarHBondContact O-N 2.85Å; F1174-R1187 VanDerWaalsContact O-CD 3.3Å; F1174-R1187 WeakPolarHBondContact O-CD 3.41Å; F1174-R1187 PolarHBondContact O-NE 3.07Å
1175	G	91.9	Very high	90.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	12.5	-177.2	0	0	0	0	0	113.8	T1171 G1172 R1173 L1186	T1171-G1175 PolarHBondContact O-N 3.15Å; G1172-G1175 PolarHBondContact O-N 3.13Å; R1173-G1175 VanDerWaalsContact C-N 3.31Å; G1175-L1186 WeakPolarHBondContact O-CB 3.31Å; G1175-L1186 PolarHBondContact O-N 3.2Å
1176	N	94.3	Very high	91	Very high	27 Å²	27	35.3 Å²	35.3	14%	0.144	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125	174.2	-65.3	11.6	0	0	0	109.3	T1171 Q1183 L1184 I1231 N1235	T1171-N1176 CarbonylContact C-O 3.41Å; T1171-N1176 HydrophobicContact CG2-CB 4.36Å; T1171-N1176 PolarHBondContact O-N 3.31Å; T1171-N1176 WeakPolarHBondContact OG1-CB 3.41Å; N1176-Q1183 PolarHBondContact ND2-OE1 3.19Å; N1176-L1184 WeakPolarHBondContact CA-O 3.19Å; N1176-I1231 VanDerWaalsContact O-CG2 3.31Å; N1176-I1231 WeakPolarHBondContact O-CG2 3.34Å; N1176-N1235 PolarHBondContact O-ND2 3.2Å
1177	A	95.4	Very high	91.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.8	174.6	0	0	0	0	0	110.6	Q1183 L1184 L1186 I1198 I1231 N1235	A1177-Q1183 CarbonylContact O-C 3.41Å; A1177-Q1183 VanDerWaalsContact O-CA 3.3Å; A1177-Q1183 WeakPolarHBondContact O-CA 3.49Å; A1177-L1184 PolarHBondContact N-O 2.83Å; A1177-L1184 PolarHBondContact O-N 3.44Å; A1177-L1186 HydrophobicContact CB-CD1 4.02Å; A1177-L1186 HydrophobicContact CB-CG 4.48Å; A1177-I1198 HydrophobicContact CB-CD1 4.09Å; A1177-I1198 HydrophobicContact CB-CG2 3.46Å; A1177-I1198 VanDerWaalsContact CB-CG2 3.46Å; A1177-I1231 HydrophobicContact CB-CG2 3.85Å; A1177-N1235 VanDerWaalsContact CA-OD1 3.29Å; A1177-N1235 WeakPolarHBondContact CA-OD1 3.49Å
1178	L	94.5	Very high	91.3	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	136.9	179.4	-58.2	178.7	0	0	0	110.6	Y1167 T1171 H1234 N1235 Y1238 M1239	Y1167-L1178 HydrophobicContact CE1-CD1 4.07Å; Y1167-L1178 HydrophobicContact CE1-CD2 3.67Å; T1171-L1178 HydrophobicContact CG2-CD2 4.14Å; T1171-L1178 HydrophobicContact CG2-CG 4.38Å; L1178-H1234 PolarHBondContact O-NE2 3.23Å; L1178-N1235 HydrophobicContact CD1-CB 4.05Å; L1178-N1235 HydrophobicContact CG-CB 4.2Å; L1178-N1235 PolarHBondContact N-OD1 2.95Å; L1178-Y1238 HydrophobicContact CB-CD1 3.44Å; L1178-Y1238 VanDerWaalsContact CB-CD1 3.44Å; L1178-Y1238 HydrophobicContact CB-CD2 4.36Å; L1178-Y1238 HydrophobicContact CB-CE1 3.63Å; L1178-Y1238 HydrophobicContact CB-CG 3.83Å; L1178-Y1238 HydrophobicContact CD1-CD1 3.72Å; L1178-Y1238 HydrophobicContact CD1-CE1 3.96Å; L1178-Y1238 HydrophobicContact CG-CD1 4.22Å; L1178-Y1238 HydrophobicContact CG-CE1 4.36Å; L1178-M1239 HydrophobicContact CD1-CG 4.21Å; L1178-M1239 HydrophobicContact CD1-SD 3.91Å
1179	V	93.6	Very high	91.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	158.7	-179.1	-69	0	0	0	0	110.6	W1181 G1182 L1184 I1198 D1199 Y1238	V1179-W1181 HydrophobicContact CB-CD2 4.07Å; V1179-W1181 HydrophobicContact CB-CE3 4.31Å; V1179-W1181 HydrophobicContact CB-CH2 4.07Å; V1179-W1181 HydrophobicContact CB-CZ2 3.83Å; V1179-W1181 HydrophobicContact CB-CZ3 4.32Å; V1179-W1181 HydrophobicContact CG1-CH2 4.27Å; V1179-W1181 HydrophobicContact CG1-CZ2 3.99Å; V1179-W1181 HydrophobicContact CG2-CD2 3.89Å; V1179-W1181 HydrophobicContact CG2-CG 4.05Å; V1179-W1181 HydrophobicContact CG2-CZ2 4Å; V1179-W1181 PolarHBondContact O-N 2.89Å; V1179-G1182 PolarHBondContact N-O 2.82Å; V1179-G1182 PolarHBondContact O-N 3Å; V1179-G1182 VanDerWaalsContact O-O 3.06Å; V1179-L1184 HydrophobicContact CG1-CD1 3.89Å; V1179-L1184 HydrophobicContact CG1-CG 3.86Å; V1179-L1184 HydrophobicContact CG2-CD2 4.22Å; V1179-L1184 HydrophobicContact CG2-CG 3.98Å; V1179-I1198 HydrophobicContact CG1-CG2 4.02Å; V1179-D1199 HydrophobicContact CG1-CB 4.26Å; V1179-Y1238 VanDerWaalsContact C-CE2 3.42Å; V1179-Y1238 PolarHBondContact O-OH 2.97Å
1180	P	90.5	Very high	91.3	Very high	27 Å²	27	46.7 Å²	46.7	18%	0.175	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-24.7	-178.5	-28.8	35.1	0	0	0	115.1	D1199 R1266	P1180-D1199 VanDerWaalsContact CD-OD2 3.22Å; P1180-D1199 WeakPolarHBondContact CD-OD2 3.42Å; P1180-R1266 WeakPolarHBondContact O-CG 3.46Å; P1180-R1266 PolarHBondContact O-NE 3.21Å; P1180-R1266 PolarHBondContact O-NH1 2.85Å; P1180-R1266 PolarHBondContact O-NH2 2.96Å
1181	W	86.1	Confident	91.5	Very high	61 Å²	61	39.6 Å²	39.6	23%	0.231	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	9.5	178.6	56.8	93.4	0	0	0	115	V1179 D1199 R1265	V1179-W1181 HydrophobicContact CB-CD2 4.07Å; V1179-W1181 HydrophobicContact CB-CE3 4.31Å; V1179-W1181 HydrophobicContact CB-CH2 4.07Å; V1179-W1181 HydrophobicContact CB-CZ2 3.83Å; V1179-W1181 HydrophobicContact CB-CZ3 4.32Å; V1179-W1181 HydrophobicContact CG1-CH2 4.27Å; V1179-W1181 HydrophobicContact CG1-CZ2 3.99Å; V1179-W1181 HydrophobicContact CG2-CD2 3.89Å; V1179-W1181 HydrophobicContact CG2-CG 4.05Å; V1179-W1181 HydrophobicContact CG2-CZ2 4Å; V1179-W1181 PolarHBondContact O-N 2.89Å; W1181-D1199 HydrophobicContact CH2-CB 4.33Å; W1181-R1265 VanDerWaalsContact CA-O 3.25Å; W1181-R1265 WeakPolarHBondContact CA-O 3.42Å; W1181-R1265 WeakPolarHBondContact CB-O 3.23Å
1182	G	86.6	Confident	91.6	Very high	7 Å²	7	41.1 Å²	41.1	7%	0.072	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.1	-120.9	177.9	0	0	0	0	0	113.8	V1179	V1179-G1182 PolarHBondContact N-O 2.82Å; V1179-G1182 PolarHBondContact O-N 3Å; V1179-G1182 VanDerWaalsContact O-O 3.06Å
1183	Q	90.1	Very high	91.6	Very high	58 Å²	58	46.1 Å²	46.1	27%	0.271	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	126.2	-178.3	55.2	179.1	-48.1	0	0	113.8	N1176 A1177 E1280	N1176-Q1183 PolarHBondContact ND2-OE1 3.19Å; A1177-Q1183 CarbonylContact O-C 3.41Å; A1177-Q1183 VanDerWaalsContact O-CA 3.3Å; A1177-Q1183 WeakPolarHBondContact O-CA 3.49Å; Q1183-E1280 PolarHBondContact NE2-OE1 2.87Å
1184	L	91.8	Very high	91.9	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113.9	175	-55.5	-176.4	0	0	0	110.1	N1176 A1177 V1179 L1186 Y1191 I1198	N1176-L1184 WeakPolarHBondContact CA-O 3.19Å; A1177-L1184 PolarHBondContact N-O 2.83Å; A1177-L1184 PolarHBondContact O-N 3.44Å; V1179-L1184 HydrophobicContact CG1-CD1 3.89Å; V1179-L1184 HydrophobicContact CG1-CG 3.86Å; V1179-L1184 HydrophobicContact CG2-CD2 4.22Å; V1179-L1184 HydrophobicContact CG2-CG 3.98Å; L1184-L1186 HydrophobicContact CB-CD2 3.98Å; L1184-L1186 HydrophobicContact CB-CG 4.42Å; L1184-L1186 PolarHBondContact O-N 3.22Å; L1184-L1186 VanDerWaalsContact O-N 3.14Å; L1184-Y1191 HydrophobicContact CD2-CE1 4.46Å; L1184-I1198 HydrophobicContact CD1-CG2 4.16Å; L1184-I1198 WeakPolarHBondContact CD1-O 3.34Å
1185	N	93.8	Very high	92.1	Very high	53 Å²	53	43.1 Å²	43.1	28%	0.283	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	85.3	172.9	-178.2	-14.4	0	0	0	110	R1187 Q1188 Y1191	N1185-R1187 PolarHBondContact O-N 2.86Å; N1185-R1187 WeakPolarHBondContact OD1-CB 3.48Å; N1185-R1187 PolarHBondContact OD1-N 3.48Å; N1185-Q1188 HydrophobicContact CB-CG 4.17Å; N1185-Q1188 WeakPolarHBondContact O-CB 3.48Å; N1185-Q1188 WeakPolarHBondContact O-CG 3.47Å; N1185-Q1188 PolarHBondContact O-N 3.45Å; N1185-Y1191 VanDerWaalsContact O-CD2 3.3Å; N1185-Y1191 WeakPolarHBondContact O-CD2 3.35Å; N1185-Y1191 WeakPolarHBondContact O-CE2 3.45Å
1186	L	94.3	Very high	92.2	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-1.9	-172.8	-59	176.4	0	0	0	114.3	G1175 A1177 L1184 Y1191 I1198 R1213 L1216 H1217 L1220 I1231	G1175-L1186 WeakPolarHBondContact O-CB 3.31Å; G1175-L1186 PolarHBondContact O-N 3.2Å; A1177-L1186 HydrophobicContact CB-CD1 4.02Å; A1177-L1186 HydrophobicContact CB-CG 4.48Å; L1184-L1186 HydrophobicContact CB-CD2 3.98Å; L1184-L1186 HydrophobicContact CB-CG 4.42Å; L1184-L1186 PolarHBondContact O-N 3.22Å; L1184-L1186 VanDerWaalsContact O-N 3.14Å; L1186-Y1191 HydrophobicContact CD2-CD1 4.32Å; L1186-Y1191 HydrophobicContact CD2-CD2 4.3Å; L1186-Y1191 HydrophobicContact CD2-CG 4.13Å; L1186-I1198 HydrophobicContact CD1-CD1 4.37Å; L1186-I1198 HydrophobicContact CD1-CG1 4.28Å; L1186-R1213 HydrophobicContact CD2-CB 4.07Å; L1186-R1213 HydrophobicContact CD2-CG 3.96Å; L1186-L1216 HydrophobicContact CD1-CB 4Å; L1186-L1216 HydrophobicContact CD1-CD1 3.81Å; L1186-H1217 WeakPolarHBondContact O-CA 3.28Å; L1186-H1217 WeakPolarHBondContact O-CB 3.1Å; L1186-H1217 PolarHBondContact O-ND1 3.5Å; L1186-L1220 HydrophobicContact CB-CD1 3.63Å; L1186-I1231 HydrophobicContact CD1-CD1 4.01Å; L1186-I1231 HydrophobicContact CD1-CG1 4.31Å
1187	R	92.3	Very high	92.2	Very high	104 Å²	104	48.4 Å²	48.4	39%	0.392	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.9	168.3	-60.4	-169	175.3	-77.3	-7.8	114.1	F1174 N1185 H1217 L1220	F1174-R1187 VanDerWaalsContact O-CD 3.3Å; F1174-R1187 WeakPolarHBondContact O-CD 3.41Å; F1174-R1187 PolarHBondContact O-NE 3.07Å; N1185-R1187 PolarHBondContact O-N 2.86Å; N1185-R1187 WeakPolarHBondContact OD1-CB 3.48Å; N1185-R1187 PolarHBondContact OD1-N 3.48Å; R1187-H1217 PolarHBondContact O-CE1 3.48Å; R1187-H1217 VanDerWaalsContact O-CE1 3.32Å; R1187-L1220 HydrophobicContact CG-CB 4.36Å; R1187-L1220 HydrophobicContact CG-CD1 4.15Å; R1187-L1220 PolarHBondContact NH1-O 2.87Å
1188	Q	92.4	Very high	92.1	Very high	74 Å²	74	48.4 Å²	48.4	35%	0.346	25%	0.25	S	C	.	.	S	Bend	trans	-69.2	141.2	177.5	-66.3	178.6	-6	0	0	110.8	N1185 K1190 Y1191 H1217	N1185-Q1188 HydrophobicContact CB-CG 4.17Å; N1185-Q1188 WeakPolarHBondContact O-CB 3.48Å; N1185-Q1188 WeakPolarHBondContact O-CG 3.47Å; N1185-Q1188 PolarHBondContact O-N 3.45Å; Q1188-K1190 VanDerWaalsContact C-N 3.27Å; Q1188-K1190 HydrophobicContact CB-CG 4.36Å; Q1188-K1190 PolarHBondContact O-N 3.05Å; Q1188-Y1191 HydrophobicContact CB-CD2 3.97Å; Q1188-Y1191 HydrophobicContact CB-CE2 4Å; Q1188-Y1191 PolarHBondContact O-N 2.8Å; Q1188-H1217 PolarHBondContact O-CE1 2.9Å; Q1188-H1217 VanDerWaalsContact O-CE1 3.31Å; Q1188-H1217 PolarHBondContact O-ND1 2.78Å; Q1188-H1217 VanDerWaalsContact O-ND1 3.1Å
1189	A	91.8	Very high	92	Very high	80 Å²	80	48.7 Å²	48.7	66%	0.661	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-62.7	-28.6	-171.5	0	0	0	0	0	114.1	Y1191 A1192	A1189-Y1191 PolarHBondContact O-N 3.07Å; A1189-A1192 WeakPolarHBondContact O-CB 3.34Å; A1189-A1192 PolarHBondContact O-N 3.36Å
1190	K	91.1	Very high	91.9	Very high	75 Å²	75	54.3 Å²	54.3	33%	0.326	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-57.2	-29.1	176.9	67.7	-174.7	180	-169.7	0	113.7	Q1188 A1192 E1278	Q1188-K1190 VanDerWaalsContact C-N 3.27Å; Q1188-K1190 HydrophobicContact CB-CG 4.36Å; Q1188-K1190 PolarHBondContact O-N 3.05Å; K1190-A1192 VanDerWaalsContact C-N 3.28Å; K1190-A1192 PolarHBondContact O-N 3Å; K1190-E1278 WeakPolarHBondContact CE-OE1 3.38Å; K1190-E1278 IonicContact NZ-OE1 3.39Å; K1190-E1278 PolarHBondContact NZ-OE1 2.88Å; K1190-E1278 IonicContact NZ-OE2 2.96Å
1191	Y	93.8	Very high	91.8	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.016	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-78.8	-8.3	177.7	-57.8	-63.2	0	0	0	113.2	L1184 N1185 L1186 Q1188 A1189 T1193 D1194 R1213 A1214 E1278	L1184-Y1191 HydrophobicContact CD2-CE1 4.46Å; N1185-Y1191 VanDerWaalsContact O-CD2 3.3Å; N1185-Y1191 WeakPolarHBondContact O-CD2 3.35Å; N1185-Y1191 WeakPolarHBondContact O-CE2 3.45Å; L1186-Y1191 HydrophobicContact CD2-CD1 4.32Å; L1186-Y1191 HydrophobicContact CD2-CD2 4.3Å; L1186-Y1191 HydrophobicContact CD2-CG 4.13Å; Q1188-Y1191 HydrophobicContact CB-CD2 3.97Å; Q1188-Y1191 HydrophobicContact CB-CE2 4Å; Q1188-Y1191 PolarHBondContact O-N 2.8Å; A1189-Y1191 PolarHBondContact O-N 3.07Å; Y1191-T1193 PolarHBondContact O-N 3.18Å; Y1191-D1194 HydrophobicContact CD1-CB 4.38Å; Y1191-D1194 PolarHBondContact O-N 3.32Å; Y1191-R1213 HydrophobicContact CD1-CB 4.41Å; Y1191-R1213 CarbonylContact O-C 3.51Å; Y1191-A1214 WeakPolarHBondContact O-CA 3.27Å; Y1191-A1214 PolarHBondContact O-N 3.03Å; Y1191-A1214 VanDerWaalsContact O-N 3.17Å; Y1191-E1278 PolarHBondContact OH-OE2 3.48Å
1192	A	92.8	Very high	92	Very high	45 Å²	45	58 Å²	58	37%	0.372	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-63.4	-22.4	-179.6	0	0	0	0	0	113.9	A1189 K1190 A1214	A1189-A1192 WeakPolarHBondContact O-CB 3.34Å; A1189-A1192 PolarHBondContact O-N 3.36Å; K1190-A1192 VanDerWaalsContact C-N 3.28Å; K1190-A1192 PolarHBondContact O-N 3Å; A1192-A1214 VanDerWaalsContact O-CB 3.3Å; A1192-A1214 WeakPolarHBondContact O-CB 3.39Å
1193	T	91.9	Very high	92	Very high	105 Å²	105	63.1 Å²	63.1	64%	0.644	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-119.3	6.3	177	50.5	0	0	0	0	113	Y1191 F1195	Y1191-T1193 PolarHBondContact O-N 3.18Å; T1193-F1195 WeakPolarHBondContact O-CD2 3.43Å; T1193-F1195 WeakPolarHBondContact O-CE2 3.39Å; T1193-F1195 PolarHBondContact O-N 3.34Å
1194	D	92.4	Very high	92	Very high	23 Å²	23	60.6 Å²	60.6	12%	0.123	33%	0.325	C	S	.	.			trans	-83.3	102.5	175.1	-168.6	-13.3	0	0	0	109.5	Y1191 R1196 R1213 A1214	Y1191-D1194 HydrophobicContact CD1-CB 4.38Å; Y1191-D1194 PolarHBondContact O-N 3.32Å; D1194-R1196 VanDerWaalsContact C-N 3.32Å; D1194-R1196 PolarHBondContact O-N 3.18Å; D1194-R1196 WeakPolarHBondContact OD1-CB 3.05Å; D1194-R1196 IonicContact OD1-CZ 2.73Å; D1194-R1196 PolarHBondContact OD1-N 2.94Å; D1194-R1196 IonicContact OD1-NE 3.89Å; D1194-R1196 PolarHBondContact OD1-NE 3.06Å; D1194-R1196 IonicContact OD1-NH2 3.23Å; D1194-R1196 IonicContact OD2-CZ 3.97Å; D1194-R1196 IonicContact OD2-NE 2.83Å; D1194-R1196 PolarHBondContact OD2-NE 3.15Å; D1194-R1196 IonicContact OD2-NH2 2.87Å; D1194-R1196 PolarHBondContact OD2-NH2 2.83Å; D1194-R1213 HydrophobicContact CB-CB 4.08Å; D1194-R1213 VanDerWaalsContact CG-CD 3.42Å; D1194-R1213 WeakPolarHBondContact O-CB 3.33Å; D1194-R1213 WeakPolarHBondContact OD2-CD 3.46Å; D1194-R1213 IonicContact OD2-CZ 3.77Å; D1194-R1213 IonicContact OD2-NE 3.51Å; D1194-R1213 IonicContact OD2-NH1 2.77Å; D1194-R1213 PolarHBondContact OD2-NH1 2.85Å; D1194-A1214 WeakPolarHBondContact O-CB 3.48Å; D1194-A1214 PolarHBondContact O-N 3.15Å
1195	F	93.1	Very high	91.8	Very high	159 Å²	159	61.4 Å²	61.4	70%	0.697	33%	0.33	S	S	*	.			trans	-84.6	-0.9	-175	-65.3	-71.7	0	0	0	114.3	T1193 S1212 A1214	T1193-F1195 WeakPolarHBondContact O-CD2 3.43Å; T1193-F1195 WeakPolarHBondContact O-CE2 3.39Å; T1193-F1195 PolarHBondContact O-N 3.34Å; F1195-S1212 VanDerWaalsContact C-CB 3.49Å; F1195-S1212 WeakPolarHBondContact O-CB 3.39Å; F1195-A1214 HydrophobicContact CD1-CB 3.94Å; F1195-A1214 HydrophobicContact CE1-CB 3.89Å
1196	R	93	Very high	91.7	Very high	104 Å²	104	59 Å²	59	39%	0.392	32%	0.318	S	S	.	.	S	Bend	trans	-68.3	158.4	174.3	-65.9	175.7	-67.7	-178.4	-3.6	112.4	D1194 E1200 S1212 R1213	D1194-R1196 VanDerWaalsContact C-N 3.32Å; D1194-R1196 PolarHBondContact O-N 3.18Å; D1194-R1196 WeakPolarHBondContact OD1-CB 3.05Å; D1194-R1196 IonicContact OD1-CZ 2.73Å; D1194-R1196 PolarHBondContact OD1-N 2.94Å; D1194-R1196 IonicContact OD1-NE 3.89Å; D1194-R1196 PolarHBondContact OD1-NE 3.06Å; D1194-R1196 IonicContact OD1-NH2 3.23Å; D1194-R1196 IonicContact OD2-CZ 3.97Å; D1194-R1196 IonicContact OD2-NE 2.83Å; D1194-R1196 PolarHBondContact OD2-NE 3.15Å; D1194-R1196 IonicContact OD2-NH2 2.87Å; D1194-R1196 PolarHBondContact OD2-NH2 2.83Å; R1196-E1200 WeakPolarHBondContact CD-OE1 3.25Å; R1196-E1200 WeakPolarHBondContact CD-OE2 3.41Å; R1196-S1212 CarbonylContact O-C 3.6Å; R1196-S1212 VanDerWaalsContact O-CA 3.23Å; R1196-S1212 WeakPolarHBondContact O-CA 3.08Å; R1196-R1213 VanDerWaalsContact NH2-NH1 3.11Å; R1196-R1213 WeakPolarHBondContact O-CG 2.97Å; R1196-R1213 PolarHBondContact O-N 3.1Å
1197	P	94.1	Very high	91.6	Very high	34 Å²	34	59.7 Å²	59.7	22%	0.221	32%	0.322	C	S	.	.			trans	-63.3	175.7	165.1	30.9	-37.1	0	0	0	111.1	D1199 E1200 C1207 R1213	P1197-D1199 PolarHBondContact O-N 3.44Å; P1197-E1200 HydrophobicContact CG-CB 4.38Å; P1197-E1200 HydrophobicContact CG-CG 3.6Å; P1197-C1207 HydrophobicContact CB-CB 4.08Å; P1197-R1213 WeakPolarHBondContact O-CD 3.43Å; P1197-R1213 WeakPolarHBondContact O-CG 3.28Å; P1197-R1213 PolarHBondContact O-NE 3.33Å
1198	I	94.7	Very high	91.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	-59.1	-50	178.8	-56.7	176.4	0	0	0	110.4	A1177 V1179 L1184 L1186 T1206 R1213 L1216 H1234	A1177-I1198 HydrophobicContact CB-CD1 4.09Å; A1177-I1198 HydrophobicContact CB-CG2 3.46Å; A1177-I1198 VanDerWaalsContact CB-CG2 3.46Å; V1179-I1198 HydrophobicContact CG1-CG2 4.02Å; L1184-I1198 HydrophobicContact CD1-CG2 4.16Å; L1184-I1198 WeakPolarHBondContact CD1-O 3.34Å; L1186-I1198 HydrophobicContact CD1-CD1 4.37Å; L1186-I1198 HydrophobicContact CD1-CG1 4.28Å; I1198-T1206 HydrophobicContact CD1-CG2 3.66Å; I1198-T1206 HydrophobicContact CG1-CG2 4.42Å; I1198-R1213 PolarHBondContact O-NE 3.09Å; I1198-R1213 PolarHBondContact O-NH2 3.33Å; I1198-L1216 HydrophobicContact CD1-CD1 3.64Å; I1198-L1216 HydrophobicContact CG1-CD1 3.5Å; I1198-H1234 HydrophobicContact CD1-CB 3.88Å
1199	D	92.8	Very high	90.5	Very high	9 Å²	9	61.6 Å²	61.6	5%	0.048	34%	0.339	C	S	.	.			trans	-139.7	126.1	174.8	174.8	6	0	0	0	107.4	V1179 P1180 W1181 P1197 N1201 C1202	V1179-D1199 HydrophobicContact CG1-CB 4.26Å; P1180-D1199 VanDerWaalsContact CD-OD2 3.22Å; P1180-D1199 WeakPolarHBondContact CD-OD2 3.42Å; W1181-D1199 HydrophobicContact CH2-CB 4.33Å; P1197-D1199 PolarHBondContact O-N 3.44Å; D1199-N1201 PolarHBondContact O-N 3.33Å; D1199-N1201 PolarHBondContact OD1-N 3.15Å; D1199-N1201 PolarHBondContact OD1-ND2 3.24Å; D1199-C1202 HydrophobicContact CB-CB 3.8Å; D1199-C1202 WeakPolarHBondContact O-CB 3.16Å; D1199-C1202 PolarHBondContact O-N 3.38Å
1200	E	89.9	Confident	89.6	Confident	118 Å²	118	64.2 Å²	64.2	55%	0.551	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-20.1	-175.2	-69.8	161.6	113.7	0	0	111.8	R1196 P1197	R1196-E1200 WeakPolarHBondContact CD-OE1 3.25Å; R1196-E1200 WeakPolarHBondContact CD-OE2 3.41Å; P1197-E1200 HydrophobicContact CG-CB 4.38Å; P1197-E1200 HydrophobicContact CG-CG 3.6Å
1201	N	89.4	Confident	89.3	Confident	144 Å²	144	62 Å²	62	77%	0.77	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-1.4	175.2	-54.8	-74.9	0	0	0	113	D1199	D1199-N1201 PolarHBondContact O-N 3.33Å; D1199-N1201 PolarHBondContact OD1-N 3.15Å; D1199-N1201 PolarHBondContact OD1-ND2 3.24Å
1202	C	89.9	Confident	89.3	Confident	22 Å²	22	62.8 Å²	62.8	15%	0.149	35%	0.347	C	S	.	.			trans	-92.4	113.2	-174.5	-171.6	0	0	0	0	111.5	D1199 C1204 C1207	D1199-C1202 HydrophobicContact CB-CB 3.8Å; D1199-C1202 WeakPolarHBondContact O-CB 3.16Å; D1199-C1202 PolarHBondContact O-N 3.38Å; C1202-C1204 PolarHBondContact O-N 3.48Å; C1202-C1207 HydrophobicContact CB-CB 4.11Å; C1202-C1207 WeakPolarHBondContact O-CB 3.36Å
1203	S	85.8	Confident	89.4	Confident	113 Å²	113	61 Å²	61	79%	0.79	33%	0.331	S	S	*	.			trans	-71.7	-3.7	178.7	57	0	0	0	0	115	S1208	S1203-S1208 PolarHBondContact O-OG 2.92Å
1204	C	91.1	Very high	89.5	Confident	5 Å²	5	56.5 Å²	56.5	3%	0.034	30%	0.304	C	S	.	.	S	Bend	trans	-62.4	156.7	-170.4	84.3	0	0	0	0	113.3	L944 C1202 T1206 C1207 S1208 H1234 A1237	L944-C1204 HydrophobicContact CD2-CB 4.36Å; C1202-C1204 PolarHBondContact O-N 3.48Å; C1204-T1206 PolarHBondContact O-N 3.22Å; C1204-C1207 PolarHBondContact O-N 3.16Å; C1204-S1208 PolarHBondContact O-N 3.43Å; C1204-S1208 PolarHBondContact O-OG 3.41Å; C1204-H1234 PolarHBondContact SG-ND1 2.63Å; C1204-A1237 HydrophobicContact CB-CB 3.32Å
1205	P	86.9	Confident	89.6	Confident	19 Å²	19	59.9 Å²	59.9	12%	0.123	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	0.3	-179.2	-23.3	34.5	0	0	0	116.5	R1209 L1233	P1205-R1209 WeakPolarHBondContact O-CD 3.14Å; P1205-R1209 WeakPolarHBondContact O-CG 3.46Å; P1205-R1209 PolarHBondContact O-NE 2.78Å; P1205-L1233 HydrophobicContact CB-CD2 4.14Å; P1205-L1233 HydrophobicContact CG-CD2 4.47Å
1206	T	91.8	Very high	89.7	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.012	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-43.2	169.8	-61.7	0	0	0	0	111.4	I1198 C1204 I1230 H1234	I1198-T1206 HydrophobicContact CD1-CG2 3.66Å; I1198-T1206 HydrophobicContact CG1-CG2 4.42Å; C1204-T1206 PolarHBondContact O-N 3.22Å; T1206-I1230 HydrophobicContact CG2-CG2 3.42Å; T1206-I1230 VanDerWaalsContact CG2-CG2 3.42Å; T1206-I1230 PolarHBondContact OG1-O 3.35Å; T1206-I1230 VanDerWaalsContact OG1-O 3.07Å; T1206-H1234 HydrophobicContact CG2-CB 4.25Å
1207	C	92.4	Very high	89.7	Confident	15 Å²	15	48.6 Å²	48.6	10%	0.101	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-29.9	-175.3	-67.4	0	0	0	0	113.3	P1197 C1202 C1204 R1209 H1234	P1197-C1207 HydrophobicContact CB-CB 4.08Å; C1202-C1207 HydrophobicContact CB-CB 4.11Å; C1202-C1207 WeakPolarHBondContact O-CB 3.36Å; C1204-C1207 PolarHBondContact O-N 3.16Å; C1207-R1209 PolarHBondContact O-N 3.22Å; C1207-H1234 PolarHBondContact SG-ND1 3.05Å; C1207-H1234 VanDerWaalsContact SG-ND1 3.41Å
1208	S	85.7	Confident	89.7	Confident	86 Å²	86	50.6 Å²	50.6	60%	0.601	28%	0.284	S	S	*	.	S	Bend	trans	-75.6	3.1	171.5	55.4	0	0	0	0	114.1	S1203 C1204	S1203-S1208 PolarHBondContact O-OG 2.92Å; C1204-S1208 PolarHBondContact O-N 3.43Å; C1204-S1208 PolarHBondContact O-OG 3.41Å
1209	R	76.6	Confident	89.6	Confident	131 Å²	131	50.6 Å²	50.6	49%	0.494	28%	0.284	S	S	.	.	S	Bend	trans	-108	159.5	171.7	-70.1	-174.1	-176.5	156.6	0.9	110	P1205 C1207 L1211	P1205-R1209 WeakPolarHBondContact O-CD 3.14Å; P1205-R1209 WeakPolarHBondContact O-CG 3.46Å; P1205-R1209 PolarHBondContact O-NE 2.78Å; C1207-R1209 PolarHBondContact O-N 3.22Å; R1209-L1211 HydrophobicContact CB-CD1 4.26Å; R1209-L1211 HydrophobicContact CB-CG 4.05Å; R1209-L1211 PolarHBondContact O-N 3.35Å
1210	P	72.1	Confident	89.5	Confident	135 Å²	135	50.2 Å²	50.2	88%	0.877	28%	0.282	S	S	*	.	S	Bend	trans	-72.9	57.3	173.7	32.1	-37.3	0	0	0	112.3
1211	L	86.2	Confident	89.4	Confident	29 Å²	29	47.9 Å²	47.9	15%	0.152	28%	0.279	C	S	.	.			trans	-113.8	91.9	177.5	-62.3	-179.8	0	0	0	109.2	R1209 W1215 I1230	R1209-L1211 HydrophobicContact CB-CD1 4.26Å; R1209-L1211 HydrophobicContact CB-CG 4.05Å; R1209-L1211 PolarHBondContact O-N 3.35Å; L1211-W1215 HydrophobicContact CD2-CD2 3.97Å; L1211-W1215 HydrophobicContact CD2-CE3 3.88Å; L1211-W1215 HydrophobicContact CD2-CH2 4.37Å; L1211-W1215 HydrophobicContact CD2-CZ2 4.44Å; L1211-W1215 HydrophobicContact CD2-CZ3 4.09Å; L1211-I1230 HydrophobicContact CD1-CG2 4.2Å
1212	S	92.7	Very high	89.1	Confident	20 Å²	20	43.7 Å²	43.7	14%	0.14	27%	0.269	C	S	.	.			trans	-75.6	162.5	-178.9	60.4	0	0	0	0	113.7	F1195 R1196 A1214 W1215 L1216	F1195-S1212 VanDerWaalsContact C-CB 3.49Å; F1195-S1212 WeakPolarHBondContact O-CB 3.39Å; R1196-S1212 CarbonylContact O-C 3.6Å; R1196-S1212 VanDerWaalsContact O-CA 3.23Å; R1196-S1212 WeakPolarHBondContact O-CA 3.08Å; S1212-A1214 PolarHBondContact O-N 3.31Å; S1212-W1215 PolarHBondContact O-N 3Å; S1212-W1215 PolarHBondContact OG-N 3.37Å; S1212-L1216 WeakPolarHBondContact O-CG 3.37Å; S1212-L1216 PolarHBondContact O-N 3.44Å
1213	R	95.1	Very high	88.8	Confident	9 Å²	9	52.9 Å²	52.9	3%	0.034	30%	0.301	C	S	.	.	H	α-helix	trans	-53.9	-39.1	168	-64.2	162.9	-179.1	-169.8	1.9	110.9	L1186 Y1191 D1194 R1196 P1197 I1198 L1216 H1217	L1186-R1213 HydrophobicContact CD2-CB 4.07Å; L1186-R1213 HydrophobicContact CD2-CG 3.96Å; Y1191-R1213 HydrophobicContact CD1-CB 4.41Å; Y1191-R1213 CarbonylContact O-C 3.51Å; D1194-R1213 HydrophobicContact CB-CB 4.08Å; D1194-R1213 VanDerWaalsContact CG-CD 3.42Å; D1194-R1213 WeakPolarHBondContact O-CB 3.33Å; D1194-R1213 WeakPolarHBondContact OD2-CD 3.46Å; D1194-R1213 IonicContact OD2-CZ 3.77Å; D1194-R1213 IonicContact OD2-NE 3.51Å; D1194-R1213 IonicContact OD2-NH1 2.77Å; D1194-R1213 PolarHBondContact OD2-NH1 2.85Å; R1196-R1213 VanDerWaalsContact NH2-NH1 3.11Å; R1196-R1213 WeakPolarHBondContact O-CG 2.97Å; R1196-R1213 PolarHBondContact O-N 3.1Å; P1197-R1213 WeakPolarHBondContact O-CD 3.43Å; P1197-R1213 WeakPolarHBondContact O-CG 3.28Å; P1197-R1213 PolarHBondContact O-NE 3.33Å; I1198-R1213 PolarHBondContact O-NE 3.09Å; I1198-R1213 PolarHBondContact O-NH2 3.33Å; R1213-L1216 PolarHBondContact O-N 2.96Å; R1213-H1217 VanDerWaalsContact O-CB 3.27Å; R1213-H1217 WeakPolarHBondContact O-CB 3.38Å; R1213-H1217 PolarHBondContact O-N 2.85Å
1214	A	93.9	Very high	88.7	Confident	9 Å²	9	51.7 Å²	51.7	7%	0.074	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-43.3	172.4	0	0	0	0	0	114	Y1191 A1192 D1194 F1195 S1212 H1217 S1218	Y1191-A1214 WeakPolarHBondContact O-CA 3.27Å; Y1191-A1214 PolarHBondContact O-N 3.03Å; Y1191-A1214 VanDerWaalsContact O-N 3.17Å; A1192-A1214 VanDerWaalsContact O-CB 3.3Å; A1192-A1214 WeakPolarHBondContact O-CB 3.39Å; D1194-A1214 WeakPolarHBondContact O-CB 3.48Å; D1194-A1214 PolarHBondContact O-N 3.15Å; F1195-A1214 HydrophobicContact CD1-CB 3.94Å; F1195-A1214 HydrophobicContact CE1-CB 3.89Å; S1212-A1214 PolarHBondContact O-N 3.31Å; A1214-H1217 PolarHBondContact O-N 2.79Å; A1214-S1218 WeakPolarHBondContact O-CB 3.46Å; A1214-S1218 PolarHBondContact O-N 3.44Å
1215	W	94.3	Very high	88.3	Confident	95 Å²	95	57.2 Å²	57.2	36%	0.36	32%	0.316	S	S	.	.	H	α-helix	trans	-64.4	-44.1	174.6	-174.7	93	0	0	0	111.3	L1211 S1212 S1218 A1219 I1230	L1211-W1215 HydrophobicContact CD2-CD2 3.97Å; L1211-W1215 HydrophobicContact CD2-CE3 3.88Å; L1211-W1215 HydrophobicContact CD2-CH2 4.37Å; L1211-W1215 HydrophobicContact CD2-CZ2 4.44Å; L1211-W1215 HydrophobicContact CD2-CZ3 4.09Å; S1212-W1215 PolarHBondContact O-N 3Å; S1212-W1215 PolarHBondContact OG-N 3.37Å; W1215-S1218 PolarHBondContact O-N 3.35Å; W1215-A1219 HydrophobicContact CE3-CB 4.3Å; W1215-A1219 HydrophobicContact CH2-CB 4.22Å; W1215-A1219 HydrophobicContact CZ3-CB 4.09Å; W1215-A1219 WeakPolarHBondContact O-CB 3.43Å; W1215-A1219 PolarHBondContact O-N 2.89Å; W1215-I1230 HydrophobicContact CH2-CD1 3.91Å; W1215-I1230 HydrophobicContact CZ3-CD1 3.85Å
1216	L	94.5	Very high	88.2	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-42.7	177.7	-70	166.9	0	0	0	111.8	L1186 I1198 S1212 R1213 A1219 L1220 I1230 I1231	L1186-L1216 HydrophobicContact CD1-CB 4Å; L1186-L1216 HydrophobicContact CD1-CD1 3.81Å; I1198-L1216 HydrophobicContact CD1-CD1 3.64Å; I1198-L1216 HydrophobicContact CG1-CD1 3.5Å; S1212-L1216 WeakPolarHBondContact O-CG 3.37Å; S1212-L1216 PolarHBondContact O-N 3.44Å; R1213-L1216 PolarHBondContact O-N 2.96Å; L1216-A1219 PolarHBondContact O-N 3.23Å; L1216-L1220 VanDerWaalsContact O-CB 3.26Å; L1216-L1220 WeakPolarHBondContact O-CB 3.36Å; L1216-L1220 WeakPolarHBondContact O-CD1 3.42Å; L1216-L1220 WeakPolarHBondContact O-CG 3.47Å; L1216-L1220 PolarHBondContact O-N 3.4Å; L1216-I1230 HydrophobicContact CD2-CG2 3.85Å; L1216-I1231 HydrophobicContact CD2-CD1 4.46Å; L1216-I1231 HydrophobicContact CD2-CG1 4.13Å
1217	H	94.6	Very high	88.1	Confident	25 Å²	25	59 Å²	59	12%	0.116	33%	0.329	C	S	.	.	H	α-helix	trans	-56.7	-50	172.8	178.3	86.6	0	0	0	111.4	L1186 R1187 Q1188 R1213 A1214 A1219 L1220 S1221	L1186-H1217 WeakPolarHBondContact O-CA 3.28Å; L1186-H1217 WeakPolarHBondContact O-CB 3.1Å; L1186-H1217 PolarHBondContact O-ND1 3.5Å; R1187-H1217 PolarHBondContact O-CE1 3.48Å; R1187-H1217 VanDerWaalsContact O-CE1 3.32Å; Q1188-H1217 PolarHBondContact O-CE1 2.9Å; Q1188-H1217 VanDerWaalsContact O-CE1 3.31Å; Q1188-H1217 PolarHBondContact O-ND1 2.78Å; Q1188-H1217 VanDerWaalsContact O-ND1 3.1Å; R1213-H1217 VanDerWaalsContact O-CB 3.27Å; R1213-H1217 WeakPolarHBondContact O-CB 3.38Å; R1213-H1217 PolarHBondContact O-N 2.85Å; A1214-H1217 PolarHBondContact O-N 2.79Å; H1217-A1219 PolarHBondContact O-N 3.47Å; H1217-L1220 PolarHBondContact O-N 2.92Å; H1217-S1221 WeakPolarHBondContact O-CB 3.33Å; H1217-S1221 PolarHBondContact O-N 3.33Å; H1217-S1221 PolarHBondContact O-OG 3.13Å
1218	S	93.3	Very high	87.9	Confident	76 Å²	76	59.3 Å²	59.3	53%	0.531	33%	0.331	S	S	.	.	H	α-helix	trans	-61.3	-44.6	177.7	-174.7	0	0	0	0	112	A1214 W1215 S1221 G1222	A1214-S1218 WeakPolarHBondContact O-CB 3.46Å; A1214-S1218 PolarHBondContact O-N 3.44Å; W1215-S1218 PolarHBondContact O-N 3.35Å; S1218-S1221 PolarHBondContact O-N 2.72Å; S1218-G1222 PolarHBondContact O-N 3.49Å
1219	A	91.9	Very high	88.1	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-65.6	-40.2	177.3	0	0	0	0	0	112.8	W1215 L1216 H1217 G1222 R1223 Q1224	W1215-A1219 HydrophobicContact CE3-CB 4.3Å; W1215-A1219 HydrophobicContact CH2-CB 4.22Å; W1215-A1219 HydrophobicContact CZ3-CB 4.09Å; W1215-A1219 WeakPolarHBondContact O-CB 3.43Å; W1215-A1219 PolarHBondContact O-N 2.89Å; L1216-A1219 PolarHBondContact O-N 3.23Å; H1217-A1219 PolarHBondContact O-N 3.47Å; A1219-G1222 CarbonylContact O-C 3.36Å; A1219-R1223 PolarHBondContact O-N 3.35Å; A1219-R1223 VanDerWaalsContact O-N 3.08Å; A1219-Q1224 HydrophobicContact CB-CB 4.29Å; A1219-Q1224 HydrophobicContact CB-CG 4.28Å; A1219-Q1224 PolarHBondContact O-N 3.48Å
1220	L	91.5	Very high	88.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.6	-40.7	174.9	-78.1	167.8	0	0	0	112	L1186 R1187 L1216 H1217 R1223 S1227 I1231	L1186-L1220 HydrophobicContact CB-CD1 3.63Å; R1187-L1220 HydrophobicContact CG-CB 4.36Å; R1187-L1220 HydrophobicContact CG-CD1 4.15Å; R1187-L1220 PolarHBondContact NH1-O 2.87Å; L1216-L1220 VanDerWaalsContact O-CB 3.26Å; L1216-L1220 WeakPolarHBondContact O-CB 3.36Å; L1216-L1220 WeakPolarHBondContact O-CD1 3.42Å; L1216-L1220 WeakPolarHBondContact O-CG 3.47Å; L1216-L1220 PolarHBondContact O-N 3.4Å; H1217-L1220 PolarHBondContact O-N 2.92Å; L1220-R1223 PolarHBondContact O-N 3.26Å; L1220-S1227 WeakPolarHBondContact CD2-OG 3.18Å; L1220-I1231 HydrophobicContact CD1-CD1 3.79Å; L1220-I1231 HydrophobicContact CD2-CD1 4.04Å; L1220-I1231 HydrophobicContact CG-CD1 4.15Å
1221	S	87.9	Confident	89.9	Confident	69 Å²	69	45.2 Å²	45.2	48%	0.483	25%	0.254	S	S	.	.	H	α-helix	trans	-70.4	-41.2	177	-72	0	0	0	0	111.9	H1217 S1218 R1223	H1217-S1221 WeakPolarHBondContact O-CB 3.33Å; H1217-S1221 PolarHBondContact O-N 3.33Å; H1217-S1221 PolarHBondContact O-OG 3.13Å; S1218-S1221 PolarHBondContact O-N 2.72Å; S1221-R1223 PolarHBondContact O-N 3.2Å
1222	G	82.8	Confident	90.2	Very high	56 Å²	56	43.8 Å²	43.8	58%	0.577	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-1.7	168.7	0	0	0	0	0	114.8	S1218 A1219 Q1224	S1218-G1222 PolarHBondContact O-N 3.49Å; A1219-G1222 CarbonylContact O-C 3.36Å; G1222-Q1224 VanDerWaalsContact C-N 3.28Å; G1222-Q1224 PolarHBondContact O-N 3.09Å
1223	R	82.9	Confident	90.2	Very high	216 Å²	216	43 Å²	43	82%	0.815	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	32.7	-179.6	-50.2	-175.4	-174	176.7	4.4	114.4	A1219 L1220 S1221 V1225	A1219-R1223 PolarHBondContact O-N 3.35Å; A1219-R1223 VanDerWaalsContact O-N 3.08Å; L1220-R1223 PolarHBondContact O-N 3.26Å; S1221-R1223 PolarHBondContact O-N 3.2Å; R1223-V1225 PolarHBondContact O-N 3Å
1224	Q	85.3	Confident	90.3	Very high	88 Å²	88	42.6 Å²	42.6	41%	0.411	24%	0.24	S	C	.	.			trans	-67.3	120.4	175.7	-56.5	-173.1	29.7	0	0	109.8	A1219 G1222 S1226 S1227	A1219-Q1224 HydrophobicContact CB-CB 4.29Å; A1219-Q1224 HydrophobicContact CB-CG 4.28Å; A1219-Q1224 PolarHBondContact O-N 3.48Å; G1222-Q1224 VanDerWaalsContact C-N 3.28Å; G1222-Q1224 PolarHBondContact O-N 3.09Å; Q1224-S1226 PolarHBondContact O-N 3.01Å; Q1224-S1227 WeakPolarHBondContact O-CB 3.23Å; Q1224-S1227 PolarHBondContact O-N 3.06Å; Q1224-S1227 PolarHBondContact O-OG 3.16Å
1225	V	80.8	Confident	90.4	Very high	121 Å²	121	42.2 Å²	42.2	73%	0.733	24%	0.236	S	C	*	.	H	α-helix	trans	-60.7	-32.9	-177.6	-177.7	0	0	0	0	111.7	R1223 S1227 S1228 A1229	R1223-V1225 PolarHBondContact O-N 3Å; V1225-S1227 PolarHBondContact O-N 2.75Å; V1225-S1228 WeakPolarHBondContact O-CB 3.44Å; V1225-S1228 PolarHBondContact O-N 3.18Å; V1225-S1228 VanDerWaalsContact O-N 3.08Å; V1225-A1229 PolarHBondContact O-N 2.89Å
1226	S	86.2	Confident	90.4	Very high	55 Å²	55	37.8 Å²	37.8	39%	0.385	22%	0.219	S	C	.	.	H	α-helix	trans	-52	-36.7	172.5	47.8	0	0	0	0	113.6	Q1224 S1228 A1229 I1230	Q1224-S1226 PolarHBondContact O-N 3.01Å; S1226-S1228 VanDerWaalsContact C-N 3.27Å; S1226-S1228 PolarHBondContact O-N 3.01Å; S1226-A1229 PolarHBondContact O-N 3.21Å; S1226-A1229 VanDerWaalsContact O-N 3.1Å; S1226-I1230 WeakPolarHBondContact O-CB 3.49Å; S1226-I1230 WeakPolarHBondContact O-CD1 3.22Å; S1226-I1230 VanDerWaalsContact O-CG1 3.26Å; S1226-I1230 WeakPolarHBondContact O-CG1 3.4Å; S1226-I1230 PolarHBondContact O-N 3.12Å
1227	S	89.3	Confident	90.4	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-37.7	178	65.5	0	0	0	0	112.4	L1220 Q1224 V1225 I1231	L1220-S1227 WeakPolarHBondContact CD2-OG 3.18Å; Q1224-S1227 WeakPolarHBondContact O-CB 3.23Å; Q1224-S1227 PolarHBondContact O-N 3.06Å; Q1224-S1227 PolarHBondContact O-OG 3.16Å; V1225-S1227 PolarHBondContact O-N 2.75Å; S1227-I1231 WeakPolarHBondContact O-CD1 3.44Å; S1227-I1231 VanDerWaalsContact O-CG1 3.27Å; S1227-I1231 WeakPolarHBondContact O-CG1 3.28Å; S1227-I1231 PolarHBondContact O-N 3.46Å
1228	S	88.3	Confident	90.5	Very high	22 Å²	22	38.3 Å²	38.3	15%	0.154	22%	0.224	C	C	.	.	H	α-helix	trans	-68.2	-36.2	175.8	-62.2	0	0	0	0	112.4	V1225 S1226 S1232	V1225-S1228 WeakPolarHBondContact O-CB 3.44Å; V1225-S1228 PolarHBondContact O-N 3.18Å; V1225-S1228 VanDerWaalsContact O-N 3.08Å; S1226-S1228 VanDerWaalsContact C-N 3.27Å; S1226-S1228 PolarHBondContact O-N 3.01Å; S1228-S1232 VanDerWaalsContact O-CB 3.22Å; S1228-S1232 WeakPolarHBondContact O-CB 3.49Å; S1228-S1232 PolarHBondContact O-N 3.13Å; S1228-S1232 PolarHBondContact O-OG 2.84Å
1229	A	89.3	Confident	90.7	Very high	20 Å²	20	34.7 Å²	34.7	17%	0.165	20%	0.198	C	C	.	.	H	α-helix	trans	-69.7	-45.1	176.2	0	0	0	0	0	111.6	K934 V1225 S1226 S1232 L1233	K934-A1229 WeakPolarHBondContact O-CB 3.38Å; V1225-A1229 PolarHBondContact O-N 2.89Å; S1226-A1229 PolarHBondContact O-N 3.21Å; S1226-A1229 VanDerWaalsContact O-N 3.1Å; A1229-S1232 PolarHBondContact O-N 2.94Å; A1229-L1233 WeakPolarHBondContact O-CB 2.99Å; A1229-L1233 PolarHBondContact O-N 3.36Å
1230	I	92.6	Very high	90.8	Very high	36 Å²	36	35.8 Å²	35.8	19%	0.185	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-46.5	179.5	-68.7	164.5	0	0	0	111	T1206 L1211 W1215 L1216 S1226 L1233 H1234	T1206-I1230 HydrophobicContact CG2-CG2 3.42Å; T1206-I1230 VanDerWaalsContact CG2-CG2 3.42Å; T1206-I1230 PolarHBondContact OG1-O 3.35Å; T1206-I1230 VanDerWaalsContact OG1-O 3.07Å; L1211-I1230 HydrophobicContact CD1-CG2 4.2Å; W1215-I1230 HydrophobicContact CH2-CD1 3.91Å; W1215-I1230 HydrophobicContact CZ3-CD1 3.85Å; L1216-I1230 HydrophobicContact CD2-CG2 3.85Å; S1226-I1230 WeakPolarHBondContact O-CB 3.49Å; S1226-I1230 WeakPolarHBondContact O-CD1 3.22Å; S1226-I1230 VanDerWaalsContact O-CG1 3.26Å; S1226-I1230 WeakPolarHBondContact O-CG1 3.4Å; S1226-I1230 PolarHBondContact O-N 3.12Å; I1230-L1233 WeakPolarHBondContact O-CB 3.25Å; I1230-L1233 PolarHBondContact O-N 2.99Å; I1230-H1234 PolarHBondContact O-N 2.88Å
1231	I	94.3	Very high	91	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-70.6	-34.4	177	-59.9	165	0	0	0	110.9	N1176 A1177 L1186 L1216 L1220 S1227 L1233 H1234 N1235	N1176-I1231 VanDerWaalsContact O-CG2 3.31Å; N1176-I1231 WeakPolarHBondContact O-CG2 3.34Å; A1177-I1231 HydrophobicContact CB-CG2 3.85Å; L1186-I1231 HydrophobicContact CD1-CD1 4.01Å; L1186-I1231 HydrophobicContact CD1-CG1 4.31Å; L1216-I1231 HydrophobicContact CD2-CD1 4.46Å; L1216-I1231 HydrophobicContact CD2-CG1 4.13Å; L1220-I1231 HydrophobicContact CD1-CD1 3.79Å; L1220-I1231 HydrophobicContact CD2-CD1 4.04Å; L1220-I1231 HydrophobicContact CG-CD1 4.15Å; S1227-I1231 WeakPolarHBondContact O-CD1 3.44Å; S1227-I1231 VanDerWaalsContact O-CG1 3.27Å; S1227-I1231 WeakPolarHBondContact O-CG1 3.28Å; S1227-I1231 PolarHBondContact O-N 3.46Å; I1231-L1233 VanDerWaalsContact C-N 3.31Å; I1231-L1233 PolarHBondContact O-N 3.5Å; I1231-H1234 PolarHBondContact O-N 3.46Å; I1231-N1235 WeakPolarHBondContact O-CB 3.22Å; I1231-N1235 PolarHBondContact O-N 3.25Å; I1231-N1235 PolarHBondContact O-ND2 2.85Å; I1231-N1235 PolarHBondContact O-OD1 3.32Å
1232	S	93.3	Very high	91.5	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-37.1	172.6	-61.6	0	0	0	0	112.2	T1169 S1228 A1229 N1235 L1236	T1169-S1232 WeakPolarHBondContact CA-OG 3.4Å; T1169-S1232 PolarHBondContact O-OG 3.37Å; S1228-S1232 VanDerWaalsContact O-CB 3.22Å; S1228-S1232 WeakPolarHBondContact O-CB 3.49Å; S1228-S1232 PolarHBondContact O-N 3.13Å; S1228-S1232 PolarHBondContact O-OG 2.84Å; A1229-S1232 PolarHBondContact O-N 2.94Å; S1232-N1235 PolarHBondContact O-N 3.16Å; S1232-L1236 WeakPolarHBondContact O-CG 3.25Å; S1232-L1236 PolarHBondContact O-N 3.37Å
1233	L	92.9	Very high	92.2	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-66.2	-45.6	176.1	-173.9	73.3	0	0	0	111.4	I936 Q940 L944 P1205 A1229 I1230 I1231 N1235 L1236 A1237	I936-L1233 HydrophobicContact CD1-CB 4.2Å; I936-L1233 HydrophobicContact CD1-CD1 4.33Å; I936-L1233 HydrophobicContact CG1-CB 4.44Å; I936-L1233 HydrophobicContact CG1-CD1 4.41Å; I936-L1233 HydrophobicContact CG2-CD1 3.91Å; Q940-L1233 HydrophobicContact CB-CD1 3.92Å; L944-L1233 HydrophobicContact CD1-CD1 3.6Å; L944-L1233 HydrophobicContact CD1-CG 4.19Å; L944-L1233 HydrophobicContact CG-CD1 4.26Å; P1205-L1233 HydrophobicContact CB-CD2 4.14Å; P1205-L1233 HydrophobicContact CG-CD2 4.47Å; A1229-L1233 WeakPolarHBondContact O-CB 2.99Å; A1229-L1233 PolarHBondContact O-N 3.36Å; I1230-L1233 WeakPolarHBondContact O-CB 3.25Å; I1230-L1233 PolarHBondContact O-N 2.99Å; I1231-L1233 VanDerWaalsContact C-N 3.31Å; I1231-L1233 PolarHBondContact O-N 3.5Å; L1233-N1235 VanDerWaalsContact C-N 3.34Å; L1233-N1235 PolarHBondContact O-N 2.88Å; L1233-L1236 PolarHBondContact O-N 3.49Å; L1233-A1237 WeakPolarHBondContact O-CB 3.33Å; L1233-A1237 PolarHBondContact O-N 2.98Å
1234	H	95.4	Very high	92.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-56.6	-47.9	171.5	175.2	82.4	0	0	0	111.6	L1178 I1198 C1204 T1206 C1207 I1230 I1231 L1236 A1237 Y1238	L1178-H1234 PolarHBondContact O-NE2 3.23Å; I1198-H1234 HydrophobicContact CD1-CB 3.88Å; C1204-H1234 PolarHBondContact SG-ND1 2.63Å; T1206-H1234 HydrophobicContact CG2-CB 4.25Å; C1207-H1234 PolarHBondContact SG-ND1 3.05Å; C1207-H1234 VanDerWaalsContact SG-ND1 3.41Å; I1230-H1234 PolarHBondContact O-N 2.88Å; I1231-H1234 PolarHBondContact O-N 3.46Å; H1234-L1236 VanDerWaalsContact C-N 3.35Å; H1234-L1236 PolarHBondContact O-N 3.28Å; H1234-A1237 WeakPolarHBondContact O-CB 3.37Å; H1234-A1237 PolarHBondContact O-N 3.38Å; H1234-A1237 VanDerWaalsContact O-N 3.16Å; H1234-Y1238 PolarHBondContact O-N 3.4Å
1235	N	96	Very high	93.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-38.4	-179.1	-67.6	-9.4	0	0	0	112.2	P1168 T1171 G1172 N1176 A1177 L1178 I1231 S1232 L1233 M1239	P1168-N1235 HydrophobicContact CB-CB 3.84Å; P1168-N1235 WeakPolarHBondContact O-CB 3.42Å; P1168-N1235 PolarHBondContact O-ND2 3.34Å; T1171-N1235 WeakPolarHBondContact CG2-ND2 3.18Å; G1172-N1235 WeakPolarHBondContact CA-ND2 3.49Å; G1172-N1235 PolarHBondContact N-ND2 2.88Å; N1176-N1235 PolarHBondContact O-ND2 3.2Å; A1177-N1235 VanDerWaalsContact CA-OD1 3.29Å; A1177-N1235 WeakPolarHBondContact CA-OD1 3.49Å; L1178-N1235 HydrophobicContact CD1-CB 4.05Å; L1178-N1235 HydrophobicContact CG-CB 4.2Å; L1178-N1235 PolarHBondContact N-OD1 2.95Å; I1231-N1235 WeakPolarHBondContact O-CB 3.22Å; I1231-N1235 PolarHBondContact O-N 3.25Å; I1231-N1235 PolarHBondContact O-ND2 2.85Å; I1231-N1235 PolarHBondContact O-OD1 3.32Å; S1232-N1235 PolarHBondContact O-N 3.16Å; L1233-N1235 VanDerWaalsContact C-N 3.34Å; L1233-N1235 PolarHBondContact O-N 2.88Å; N1235-M1239 VanDerWaalsContact O-CG 3.22Å; N1235-M1239 WeakPolarHBondContact O-CG 3.06Å; N1235-M1239 PolarHBondContact O-N 3.14Å; N1235-M1239 VanDerWaalsContact O-N 3.17Å
1236	L	94.8	Very high	94.2	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-67.7	-40.1	173.3	-71.1	-178.5	0	0	0	112.2	F924 P926 M933 I936 L941 L944 P1168 T1169 S1232 L1233 H1234 Y1238 M1239 L1240	F924-L1236 HydrophobicContact CE1-CD2 4.23Å; P926-L1236 HydrophobicContact CB-CD1 4.25Å; P926-L1236 HydrophobicContact CB-CD2 3.89Å; P926-L1236 HydrophobicContact CG-CD2 3.98Å; M933-L1236 HydrophobicContact CE-CD1 3.83Å; M933-L1236 HydrophobicContact SD-CD1 4.49Å; I936-L1236 HydrophobicContact CD1-CD1 3.78Å; L941-L1236 HydrophobicContact CD2-CD1 4.06Å; L944-L1236 HydrophobicContact CD1-CB 4.14Å; P1168-L1236 HydrophobicContact CB-CD2 3.89Å; P1168-L1236 HydrophobicContact CG-CD2 4.29Å; T1169-L1236 HydrophobicContact CG2-CD1 4.19Å; T1169-L1236 HydrophobicContact CG2-CD2 4.28Å; T1169-L1236 HydrophobicContact CG2-CG 4.23Å; S1232-L1236 WeakPolarHBondContact O-CG 3.25Å; S1232-L1236 PolarHBondContact O-N 3.37Å; L1233-L1236 PolarHBondContact O-N 3.49Å; H1234-L1236 VanDerWaalsContact C-N 3.35Å; H1234-L1236 PolarHBondContact O-N 3.28Å; L1236-Y1238 VanDerWaalsContact C-N 3.33Å; L1236-Y1238 PolarHBondContact O-N 2.9Å; L1236-M1239 PolarHBondContact O-N 3.1Å; L1236-L1240 WeakPolarHBondContact O-CG 3.28Å; L1236-L1240 PolarHBondContact O-N 3.26Å
1237	A	95.3	Very high	94.8	Very high	14 Å²	14	19.1 Å²	19.1	12%	0.116	10%	0.103	C	C	.	.	H	α-helix	trans	-60.9	-42.3	176.5	0	0	0	0	0	112	L944 C1204 L1233 H1234 G1241	L944-A1237 HydrophobicContact CD1-CB 3.89Å; L944-A1237 HydrophobicContact CD2-CB 3.47Å; L944-A1237 VanDerWaalsContact CD2-CB 3.47Å; L944-A1237 HydrophobicContact CG-CB 4.29Å; C1204-A1237 HydrophobicContact CB-CB 3.32Å; L1233-A1237 WeakPolarHBondContact O-CB 3.33Å; L1233-A1237 PolarHBondContact O-N 2.98Å; H1234-A1237 WeakPolarHBondContact O-CB 3.37Å; H1234-A1237 PolarHBondContact O-N 3.38Å; H1234-A1237 VanDerWaalsContact O-N 3.16Å; A1237-G1241 PolarHBondContact O-N 3.13Å
1238	Y	96.3	Very high	95.2	Very high	22 Å²	22	23.2 Å²	23.2	9%	0.086	12%	0.122	C	C	.	.	H	α-helix	trans	-61	-42.8	173.9	167.3	-88.4	0	0	0	112.2	P1149 L1178 V1179 H1234 L1236 L1242 R1266	P1149-Y1238 HydrophobicContact CB-CE1 4.48Å; P1149-Y1238 HydrophobicContact CG-CE1 3.79Å; L1178-Y1238 HydrophobicContact CB-CD1 3.44Å; L1178-Y1238 VanDerWaalsContact CB-CD1 3.44Å; L1178-Y1238 HydrophobicContact CB-CD2 4.36Å; L1178-Y1238 HydrophobicContact CB-CE1 3.63Å; L1178-Y1238 HydrophobicContact CB-CG 3.83Å; L1178-Y1238 HydrophobicContact CD1-CD1 3.72Å; L1178-Y1238 HydrophobicContact CD1-CE1 3.96Å; L1178-Y1238 HydrophobicContact CG-CD1 4.22Å; L1178-Y1238 HydrophobicContact CG-CE1 4.36Å; V1179-Y1238 VanDerWaalsContact C-CE2 3.42Å; V1179-Y1238 PolarHBondContact O-OH 2.97Å; H1234-Y1238 PolarHBondContact O-N 3.4Å; L1236-Y1238 VanDerWaalsContact C-N 3.33Å; L1236-Y1238 PolarHBondContact O-N 2.9Å; Y1238-L1242 VanDerWaalsContact O-CB 3.31Å; Y1238-L1242 WeakPolarHBondContact O-CB 3.19Å; Y1238-L1242 PolarHBondContact O-N 3.06Å; Y1238-R1266 PolarHBondContact OH-NH2 3.16Å
1239	M	96.5	Very high	95.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-69.2	-42.6	179.4	-62.3	-67.6	-76.3	0	0	112.2	F924 G1147 P1149 L1152 P1168 L1178 N1235 L1236 L1242 M1243	F924-M1239 HydrophobicContact CD1-CB 3.79Å; F924-M1239 HydrophobicContact CD1-CE 4.45Å; F924-M1239 HydrophobicContact CD1-CG 4.44Å; F924-M1239 HydrophobicContact CD2-CE 3.79Å; F924-M1239 HydrophobicContact CE1-CB 4.19Å; F924-M1239 HydrophobicContact CE1-CE 4.38Å; F924-M1239 HydrophobicContact CE1-CG 4.4Å; F924-M1239 HydrophobicContact CE2-CE 3.7Å; F924-M1239 HydrophobicContact CG-CB 4.2Å; F924-M1239 HydrophobicContact CG-CE 4.17Å; F924-M1239 HydrophobicContact CZ-CE 4.01Å; G1147-M1239 WeakPolarHBondContact O-CE 3.27Å; P1149-M1239 HydrophobicContact CG-SD 4.31Å; L1152-M1239 HydrophobicContact CD1-CE 3.33Å; P1168-M1239 HydrophobicContact CB-CG 4.24Å; P1168-M1239 HydrophobicContact CG-CE 4.19Å; P1168-M1239 HydrophobicContact CG-CG 3.66Å; P1168-M1239 HydrophobicContact CG-SD 4.34Å; L1178-M1239 HydrophobicContact CD1-CG 4.21Å; L1178-M1239 HydrophobicContact CD1-SD 3.91Å; N1235-M1239 VanDerWaalsContact O-CG 3.22Å; N1235-M1239 WeakPolarHBondContact O-CG 3.06Å; N1235-M1239 PolarHBondContact O-N 3.14Å; N1235-M1239 VanDerWaalsContact O-N 3.17Å; L1236-M1239 PolarHBondContact O-N 3.1Å; M1239-L1242 PolarHBondContact O-N 2.97Å; M1239-M1243 WeakPolarHBondContact O-CG 3.18Å; M1239-M1243 PolarHBondContact O-N 2.96Å; M1239-M1243 VanDerWaalsContact O-N 3.14Å
1240	L	95.7	Very high	96.1	Very high	25 Å²	25	21.7 Å²	21.7	13%	0.131	11%	0.11	C	C	.	.	H	α-helix	trans	-68.2	-38.8	177.1	-66.7	169.3	0	0	0	111.4	L944 C946 L1236 M1243 K1244	L944-L1240 HydrophobicContact CB-CD1 3.96Å; C946-L1240 HydrophobicContact CB-CD1 3.95Å; L1236-L1240 WeakPolarHBondContact O-CG 3.28Å; L1236-L1240 PolarHBondContact O-N 3.26Å; L1240-M1243 PolarHBondContact O-N 3.33Å; L1240-K1244 PolarHBondContact O-N 3.42Å
1241	G	95.7	Very high	96.2	Very high	26 Å²	26	22.4 Å²	22.4	27%	0.268	12%	0.118	S	C	.	.	H	α-helix	trans	-64.3	-37.7	172.5	0	0	0	0	0	113.4	A1237 K1244 Q1245	A1237-G1241 PolarHBondContact O-N 3.13Å; G1241-K1244 PolarHBondContact O-N 3.4Å; G1241-Q1245 WeakPolarHBondContact O-CG 3.5Å; G1241-Q1245 PolarHBondContact O-N 2.77Å
1242	L	96.8	Very high	96.4	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.031	14%	0.143	C	C	.	.	H	α-helix	trans	-61.8	-43.7	173.2	176.2	60.7	0	0	0	111.5	P1149 Y1238 M1239 K1244 Q1245 I1246 F1258 F1262	P1149-L1242 HydrophobicContact CB-CD2 4Å; Y1238-L1242 VanDerWaalsContact O-CB 3.31Å; Y1238-L1242 WeakPolarHBondContact O-CB 3.19Å; Y1238-L1242 PolarHBondContact O-N 3.06Å; M1239-L1242 PolarHBondContact O-N 2.97Å; L1242-K1244 VanDerWaalsContact C-N 3.33Å; L1242-K1244 PolarHBondContact O-N 3.26Å; L1242-Q1245 PolarHBondContact O-N 3.47Å; L1242-I1246 HydrophobicContact CD1-CD1 3.97Å; L1242-I1246 HydrophobicContact CD1-CG1 4.4Å; L1242-I1246 HydrophobicContact CG-CD1 4.04Å; L1242-I1246 WeakPolarHBondContact O-CD1 3.44Å; L1242-I1246 VanDerWaalsContact O-CG1 3.27Å; L1242-I1246 WeakPolarHBondContact O-CG1 3.35Å; L1242-I1246 PolarHBondContact O-N 3.03Å; L1242-I1246 VanDerWaalsContact O-N 3.07Å; L1242-F1258 HydrophobicContact CD1-CE1 4.45Å; L1242-F1258 HydrophobicContact CD1-CZ 3.81Å; L1242-F1262 HydrophobicContact CD1-CD2 3.96Å; L1242-F1262 HydrophobicContact CD1-CE2 3.75Å; L1242-F1262 HydrophobicContact CD2-CE2 4.16Å
1243	M	97.7	Very high	96.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-62.5	-39.7	174.8	-62.2	-66.2	96.2	0	0	112	P922 F924 L1152 I1156 F1163 M1239 L1240 I1246 R1247	P922-M1243 HydrophobicContact CB-SD 4.26Å; F924-M1243 HydrophobicContact CB-CG 3.76Å; F924-M1243 HydrophobicContact CB-SD 4.07Å; L1152-M1243 HydrophobicContact CB-CE 4.22Å; L1152-M1243 HydrophobicContact CD1-CE 4.02Å; I1156-M1243 HydrophobicContact CD1-CE 3.84Å; I1156-M1243 HydrophobicContact CD1-SD 4.2Å; F1163-M1243 HydrophobicContact CD2-SD 4.46Å; M1239-M1243 WeakPolarHBondContact O-CG 3.18Å; M1239-M1243 PolarHBondContact O-N 2.96Å; M1239-M1243 VanDerWaalsContact O-N 3.14Å; L1240-M1243 PolarHBondContact O-N 3.33Å; M1243-I1246 HydrophobicContact CE-CD1 3.99Å; M1243-I1246 PolarHBondContact O-N 3.2Å; M1243-R1247 PolarHBondContact O-N 3.27Å; M1243-R1247 PolarHBondContact O-NH1 3.03Å
1244	K	96.9	Very high	96.7	Very high	99 Å²	99	32 Å²	32	43%	0.43	18%	0.18	S	C	.	.	H	α-helix	trans	-62.8	-49.5	176.3	-170.7	176.3	-172.3	-78.7	0	111.9	L1240 G1241 L1242 I1246 R1247 E1248	L1240-K1244 PolarHBondContact O-N 3.42Å; G1241-K1244 PolarHBondContact O-N 3.4Å; L1242-K1244 VanDerWaalsContact C-N 3.33Å; L1242-K1244 PolarHBondContact O-N 3.26Å; K1244-I1246 PolarHBondContact O-N 3.32Å; K1244-R1247 PolarHBondContact O-N 2.94Å; K1244-R1247 VanDerWaalsContact O-N 3.1Å; K1244-E1248 IonicContact NZ-OE1 2.75Å; K1244-E1248 PolarHBondContact NZ-OE1 3.29Å; K1244-E1248 WeakPolarHBondContact O-CG 3.37Å; K1244-E1248 PolarHBondContact O-N 3.34Å
1245	Q	96.9	Very high	96.8	Very high	88 Å²	88	32 Å²	32	41%	0.411	18%	0.18	S	C	.	.	H	α-helix	trans	-59	-35.7	177	-70.7	171.7	21.8	0	0	112.4	G1241 L1242 E1248 A1249 F1258	G1241-Q1245 WeakPolarHBondContact O-CG 3.5Å; G1241-Q1245 PolarHBondContact O-N 2.77Å; L1242-Q1245 PolarHBondContact O-N 3.47Å; Q1245-E1248 WeakPolarHBondContact CA-OE2 3.49Å; Q1245-A1249 WeakPolarHBondContact O-CB 3.31Å; Q1245-A1249 PolarHBondContact O-N 3.33Å; Q1245-F1258 HydrophobicContact CB-CE2 3.75Å; Q1245-F1258 HydrophobicContact CB-CZ 4.31Å
1246	I	98.2	Very high	96.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-69.8	-42.1	175.7	-70.3	167.3	0	0	0	111.4	P922 V1153 I1156 L1242 M1243 K1244 E1248 A1249 I1250 F1255 F1258	P922-I1246 HydrophobicContact CG-CB 4.48Å; P922-I1246 HydrophobicContact CG-CG2 3.71Å; V1153-I1246 HydrophobicContact CG2-CD1 3.93Å; I1156-I1246 HydrophobicContact CD1-CD1 3.76Å; I1156-I1246 HydrophobicContact CD1-CG2 4.18Å; I1156-I1246 HydrophobicContact CG2-CG2 3.92Å; L1242-I1246 HydrophobicContact CD1-CD1 3.97Å; L1242-I1246 HydrophobicContact CD1-CG1 4.4Å; L1242-I1246 HydrophobicContact CG-CD1 4.04Å; L1242-I1246 WeakPolarHBondContact O-CD1 3.44Å; L1242-I1246 VanDerWaalsContact O-CG1 3.27Å; L1242-I1246 WeakPolarHBondContact O-CG1 3.35Å; L1242-I1246 PolarHBondContact O-N 3.03Å; L1242-I1246 VanDerWaalsContact O-N 3.07Å; M1243-I1246 HydrophobicContact CE-CD1 3.99Å; M1243-I1246 PolarHBondContact O-N 3.2Å; K1244-I1246 PolarHBondContact O-N 3.32Å; I1246-E1248 VanDerWaalsContact C-N 3.34Å; I1246-E1248 PolarHBondContact O-N 2.72Å; I1246-A1249 PolarHBondContact O-N 3.15Å; I1246-I1250 HydrophobicContact CG2-CD1 3.65Å; I1246-I1250 HydrophobicContact CG2-CG1 4.36Å; I1246-I1250 WeakPolarHBondContact O-CD1 3.1Å; I1246-I1250 VanDerWaalsContact O-CG1 3.23Å; I1246-I1250 WeakPolarHBondContact O-CG1 3.48Å; I1246-I1250 PolarHBondContact O-N 2.98Å; I1246-F1255 HydrophobicContact CG2-CD2 4.08Å; I1246-F1255 HydrophobicContact CG2-CE2 3.75Å; I1246-F1258 HydrophobicContact CD1-CE1 4.05Å; I1246-F1258 HydrophobicContact CD1-CZ 4.44Å; I1246-F1258 HydrophobicContact CG1-CD1 4.03Å; I1246-F1258 HydrophobicContact CG1-CE1 3.36Å; I1246-F1258 HydrophobicContact CG1-CZ 3.69Å
1247	R	98.2	Very high	97	Very high	34 Å²	34	37.7 Å²	37.7	13%	0.128	21%	0.208	C	C	.	.	H	α-helix	trans	-60.5	-43.8	173.5	-74.3	-166.6	-59.1	-83.6	10.3	112	E920 T921 P922 M1243 K1244 I1250 S1251	E920-R1247 VanDerWaalsContact CB-NE 3.32Å; E920-R1247 IonicContact OE2-CZ 3.06Å; E920-R1247 IonicContact OE2-NE 2.75Å; E920-R1247 PolarHBondContact OE2-NE 2.79Å; E920-R1247 IonicContact OE2-NH2 2.82Å; E920-R1247 PolarHBondContact OE2-NH2 3.43Å; T921-R1247 WeakPolarHBondContact O-CD 3.45Å; T921-R1247 WeakPolarHBondContact O-CG 3.34Å; P922-R1247 HydrophobicContact CG-CG 4.4Å; P922-R1247 PolarHBondContact O-NH1 2.85Å; M1243-R1247 PolarHBondContact O-N 3.27Å; M1243-R1247 PolarHBondContact O-NH1 3.03Å; K1244-R1247 PolarHBondContact O-N 2.94Å; K1244-R1247 VanDerWaalsContact O-N 3.1Å; R1247-I1250 PolarHBondContact O-N 2.89Å; R1247-S1251 PolarHBondContact O-N 3.42Å; R1247-S1251 PolarHBondContact O-OG 3.12Å
1248	E	97.6	Very high	97.1	Very high	89 Å²	89	38.1 Å²	38.1	42%	0.416	21%	0.208	S	C	.	.	H	α-helix	trans	-60.9	-42.8	175.8	-69.4	166.3	154.3	0	0	111.8	K1244 Q1245 I1246 S1251 A1252	K1244-E1248 IonicContact NZ-OE1 2.75Å; K1244-E1248 PolarHBondContact NZ-OE1 3.29Å; K1244-E1248 WeakPolarHBondContact O-CG 3.37Å; K1244-E1248 PolarHBondContact O-N 3.34Å; Q1245-E1248 WeakPolarHBondContact CA-OE2 3.49Å; I1246-E1248 VanDerWaalsContact C-N 3.34Å; I1246-E1248 PolarHBondContact O-N 2.72Å; E1248-S1251 PolarHBondContact O-OG 2.8Å; E1248-A1252 VanDerWaalsContact O-CB 3.26Å; E1248-A1252 WeakPolarHBondContact O-CB 3.36Å; E1248-A1252 PolarHBondContact O-N 3.25Å
1249	A	98	Very high	97.1	Very high	7 Å²	7	37 Å²	37	6%	0.058	20%	0.203	C	C	.	.	H	α-helix	trans	-68.9	-35.6	176.1	0	0	0	0	0	113	Q1245 I1246 N1253 T1254 F1255 F1258	Q1245-A1249 WeakPolarHBondContact O-CB 3.31Å; Q1245-A1249 PolarHBondContact O-N 3.33Å; I1246-A1249 PolarHBondContact O-N 3.15Å; A1249-N1253 PolarHBondContact O-N 2.97Å; A1249-T1254 CarbonylContact O-C 3.57Å; A1249-T1254 PolarHBondContact O-N 3.21Å; A1249-F1255 HydrophobicContact CB-CB 4.49Å; A1249-F1255 PolarHBondContact O-N 2.95Å; A1249-F1255 VanDerWaalsContact O-N 3.16Å; A1249-F1258 HydrophobicContact CB-CB 3.6Å; A1249-F1258 HydrophobicContact CB-CD2 4.3Å; A1249-F1258 HydrophobicContact CB-CG 3.95Å
1250	I	97.9	Very high	97	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-69.6	-45.3	176	-66	161.3	0	0	0	110.7	F897 A904 C906 P922 I1156 I1246 R1247 A1252 N1253 F1255	F897-I1250 HydrophobicContact CB-CG2 4.11Å; A904-I1250 HydrophobicContact CB-CD1 3.91Å; A904-I1250 HydrophobicContact CB-CG1 4.13Å; C906-I1250 HydrophobicContact CB-CB 4.46Å; C906-I1250 HydrophobicContact CB-CG2 4.04Å; P922-I1250 HydrophobicContact CG-CD1 4.43Å; I1156-I1250 HydrophobicContact CG2-CD1 4.29Å; I1246-I1250 HydrophobicContact CG2-CD1 3.65Å; I1246-I1250 HydrophobicContact CG2-CG1 4.36Å; I1246-I1250 WeakPolarHBondContact O-CD1 3.1Å; I1246-I1250 VanDerWaalsContact O-CG1 3.23Å; I1246-I1250 WeakPolarHBondContact O-CG1 3.48Å; I1246-I1250 PolarHBondContact O-N 2.98Å; R1247-I1250 PolarHBondContact O-N 2.89Å; I1250-A1252 VanDerWaalsContact C-N 3.3Å; I1250-A1252 PolarHBondContact O-N 3.35Å; I1250-N1253 PolarHBondContact O-N 3.47Å; I1250-F1255 HydrophobicContact CD1-CD2 4.34Å; I1250-F1255 HydrophobicContact CG1-CB 3.99Å; I1250-F1255 HydrophobicContact CG1-CD2 3.81Å; I1250-F1255 HydrophobicContact CG1-CG 3.98Å
1251	S	96.6	Very high	96.9	Very high	52 Å²	52	40.2 Å²	40.2	36%	0.364	22%	0.222	S	C	.	.	H	α-helix	trans	-68.5	-28.5	179.4	63.5	0	0	0	0	113.3	F897 R1247 E1248 N1253	F897-S1251 VanDerWaalsContact CD2-CB 3.45Å; R1247-S1251 PolarHBondContact O-N 3.42Å; R1247-S1251 PolarHBondContact O-OG 3.12Å; E1248-S1251 PolarHBondContact O-OG 2.8Å; S1251-N1253 VanDerWaalsContact C-N 3.31Å
1252	A	96.9	Very high	96.8	Very high	63 Å²	63	39 Å²	39	52%	0.521	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	2.9	170.4	0	0	0	0	0	114.2	E1248 I1250 T1254	E1248-A1252 VanDerWaalsContact O-CB 3.26Å; E1248-A1252 WeakPolarHBondContact O-CB 3.36Å; E1248-A1252 PolarHBondContact O-N 3.25Å; I1250-A1252 VanDerWaalsContact C-N 3.3Å; I1250-A1252 PolarHBondContact O-N 3.35Å; A1252-T1254 PolarHBondContact O-N 3.39Å
1253	N	95.5	Very high	96.6	Very high	77 Å²	77	38.8 Å²	38.8	41%	0.412	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	37.9	-173	-168.1	64.7	0	0	0	113.9	S900 A1249 I1250 S1251	S900-N1253 WeakPolarHBondContact CB-OD1 3.37Å; S900-N1253 PolarHBondContact N-OD1 3.37Å; S900-N1253 VanDerWaalsContact N-OD1 3.15Å; S900-N1253 VanDerWaalsContact OG-CG 3.3Å; S900-N1253 PolarHBondContact OG-ND2 3.16Å; S900-N1253 PolarHBondContact OG-OD1 2.9Å; A1249-N1253 PolarHBondContact O-N 2.97Å; I1250-N1253 PolarHBondContact O-N 3.47Å; S1251-N1253 VanDerWaalsContact C-N 3.31Å
1254	T	97.4	Very high	96.2	Very high	64 Å²	64	43.4 Å²	43.4	39%	0.393	23%	0.23	S	C	.	.			trans	-120.3	25.1	177.5	45.9	0	0	0	0	112.4	A1249 A1252 E1257 F1258	A1249-T1254 CarbonylContact O-C 3.57Å; A1249-T1254 PolarHBondContact O-N 3.21Å; A1252-T1254 PolarHBondContact O-N 3.39Å; T1254-E1257 WeakPolarHBondContact CA-OE2 3.29Å; T1254-E1257 PolarHBondContact O-N 2.89Å; T1254-F1258 PolarHBondContact O-N 3.28Å
1255	F	98	Very high	95.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-39.7	177.5	179.8	-103.1	0	0	0	113.7	T902 A904 I1156 A1157 I1246 A1249 I1250 E1257 F1258 V1259 I1297	T902-F1255 HydrophobicContact CG2-CD1 4.09Å; T902-F1255 HydrophobicContact CG2-CE1 4.21Å; A904-F1255 HydrophobicContact CB-CD1 3.73Å; A904-F1255 HydrophobicContact CB-CD2 4.47Å; A904-F1255 HydrophobicContact CB-CE1 3.56Å; A904-F1255 HydrophobicContact CB-CE2 4.33Å; A904-F1255 HydrophobicContact CB-CG 4.19Å; A904-F1255 HydrophobicContact CB-CZ 3.89Å; I1156-F1255 HydrophobicContact CG2-CE2 4.12Å; I1156-F1255 HydrophobicContact CG2-CZ 4.02Å; A1157-F1255 HydrophobicContact CB-CE1 3.76Å; A1157-F1255 HydrophobicContact CB-CZ 4.06Å; I1246-F1255 HydrophobicContact CG2-CD2 4.08Å; I1246-F1255 HydrophobicContact CG2-CE2 3.75Å; A1249-F1255 HydrophobicContact CB-CB 4.49Å; A1249-F1255 PolarHBondContact O-N 2.95Å; A1249-F1255 VanDerWaalsContact O-N 3.16Å; I1250-F1255 HydrophobicContact CD1-CD2 4.34Å; I1250-F1255 HydrophobicContact CG1-CB 3.99Å; I1250-F1255 HydrophobicContact CG1-CD2 3.81Å; I1250-F1255 HydrophobicContact CG1-CG 3.98Å; F1255-E1257 PolarHBondContact O-N 3.03Å; F1255-F1258 HydrophobicContact CD2-CD1 4.44Å; F1255-F1258 HydrophobicContact CE2-CD1 4.45Å; F1255-F1258 WeakPolarHBondContact O-CB 3.25Å; F1255-F1258 PolarHBondContact O-N 3.36Å; F1255-V1259 HydrophobicContact CD1-CG2 4.18Å; F1255-V1259 HydrophobicContact CD2-CG2 4.43Å; F1255-V1259 HydrophobicContact CE1-CG2 3.72Å; F1255-V1259 HydrophobicContact CE2-CG2 3.98Å; F1255-V1259 HydrophobicContact CZ-CG2 3.61Å; F1255-V1259 VanDerWaalsContact O-CG2 3.32Å; F1255-V1259 WeakPolarHBondContact O-CG2 3.34Å; F1255-V1259 PolarHBondContact O-N 2.74Å; F1255-I1297 HydrophobicContact CE1-CD1 4.44Å
1256	P	97.4	Very high	95.1	Very high	13 Å²	13	39.5 Å²	39.5	8%	0.084	21%	0.208	C	C	.	.	H	α-helix	trans	-56.9	-44.7	173.8	-25.6	36	0	0	0	113.7	Q901 V1259 H1260 I1297	Q901-P1256 HydrophobicContact CB-CG 4.24Å; P1256-V1259 WeakPolarHBondContact O-CB 3.38Å; P1256-V1259 PolarHBondContact O-N 3.42Å; P1256-H1260 PolarHBondContact O-N 3.49Å; P1256-I1297 HydrophobicContact CB-CD1 4.11Å; P1256-I1297 HydrophobicContact CB-CG1 4.14Å; P1256-I1297 HydrophobicContact CG-CD1 4.41Å
1257	E	96.8	Very high	93.9	Very high	109 Å²	109	40 Å²	40	51%	0.509	21%	0.212	S	C	.	.	H	α-helix	trans	-67.5	-39.9	178.6	-62.7	69.8	-156.8	0	0	110.7	T1254 F1255 V1259 H1260 S1261	T1254-E1257 WeakPolarHBondContact CA-OE2 3.29Å; T1254-E1257 PolarHBondContact O-N 2.89Å; F1255-E1257 PolarHBondContact O-N 3.03Å; E1257-V1259 VanDerWaalsContact C-N 3.33Å; E1257-V1259 PolarHBondContact O-N 3.07Å; E1257-H1260 PolarHBondContact O-N 3.1Å; E1257-S1261 WeakPolarHBondContact O-CB 3.4Å; E1257-S1261 PolarHBondContact O-N 2.75Å
1258	F	97.6	Very high	92.1	Very high	23 Å²	23	45 Å²	45	10%	0.101	23%	0.232	C	C	.	.	H	α-helix	trans	-59.2	-43.4	171.1	174.1	-86.6	0	0	0	111.6	V1153 L1242 Q1245 I1246 A1249 T1254 F1255 F1262	V1153-F1258 HydrophobicContact CG2-CE1 4.37Å; L1242-F1258 HydrophobicContact CD1-CE1 4.45Å; L1242-F1258 HydrophobicContact CD1-CZ 3.81Å; Q1245-F1258 HydrophobicContact CB-CE2 3.75Å; Q1245-F1258 HydrophobicContact CB-CZ 4.31Å; I1246-F1258 HydrophobicContact CD1-CE1 4.05Å; I1246-F1258 HydrophobicContact CD1-CZ 4.44Å; I1246-F1258 HydrophobicContact CG1-CD1 4.03Å; I1246-F1258 HydrophobicContact CG1-CE1 3.36Å; I1246-F1258 HydrophobicContact CG1-CZ 3.69Å; A1249-F1258 HydrophobicContact CB-CB 3.6Å; A1249-F1258 HydrophobicContact CB-CD2 4.3Å; A1249-F1258 HydrophobicContact CB-CG 3.95Å; T1254-F1258 PolarHBondContact O-N 3.28Å; F1255-F1258 HydrophobicContact CD2-CD1 4.44Å; F1255-F1258 HydrophobicContact CE2-CD1 4.45Å; F1255-F1258 WeakPolarHBondContact O-CB 3.25Å; F1255-F1258 PolarHBondContact O-N 3.36Å; F1258-F1262 HydrophobicContact CE1-CB 4.18Å; F1258-F1262 HydrophobicContact CE1-CD2 4.12Å; F1258-F1262 HydrophobicContact CE1-CG 4.47Å; F1258-F1262 HydrophobicContact CZ-CB 4.47Å; F1258-F1262 HydrophobicContact CZ-CD2 4.11Å; F1258-F1262 WeakPolarHBondContact O-CB 3.42Å; F1258-F1262 PolarHBondContact O-N 3.43Å
1259	V	97.1	Very high	89.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-47.2	177.3	173.7	0	0	0	0	110.6	V1153 F1255 P1256 E1257 F1262 F1263 L1292 I1297 I1299	V1153-V1259 HydrophobicContact CG1-CB 4.46Å; V1153-V1259 HydrophobicContact CG1-CG1 4.24Å; V1153-V1259 HydrophobicContact CG1-CG2 3.77Å; F1255-V1259 HydrophobicContact CD1-CG2 4.18Å; F1255-V1259 HydrophobicContact CD2-CG2 4.43Å; F1255-V1259 HydrophobicContact CE1-CG2 3.72Å; F1255-V1259 HydrophobicContact CE2-CG2 3.98Å; F1255-V1259 HydrophobicContact CZ-CG2 3.61Å; F1255-V1259 VanDerWaalsContact O-CG2 3.32Å; F1255-V1259 WeakPolarHBondContact O-CG2 3.34Å; F1255-V1259 PolarHBondContact O-N 2.74Å; P1256-V1259 WeakPolarHBondContact O-CB 3.38Å; P1256-V1259 PolarHBondContact O-N 3.42Å; E1257-V1259 VanDerWaalsContact C-N 3.33Å; E1257-V1259 PolarHBondContact O-N 3.07Å; V1259-F1262 WeakPolarHBondContact O-CB 3.42Å; V1259-F1262 PolarHBondContact O-N 2.89Å; V1259-F1263 HydrophobicContact CG1-CD2 3.99Å; V1259-F1263 HydrophobicContact CG1-CE2 4.07Å; V1259-F1263 WeakPolarHBondContact O-CD2 3.48Å; V1259-F1263 PolarHBondContact O-N 3.07Å; V1259-L1292 HydrophobicContact CG1-CD1 3.75Å; V1259-L1292 HydrophobicContact CG1-CD2 4.07Å; V1259-I1297 HydrophobicContact CB-CD1 4.13Å; V1259-I1297 HydrophobicContact CB-CG2 4.44Å; V1259-I1297 HydrophobicContact CG1-CD1 4.35Å; V1259-I1297 HydrophobicContact CG1-CG2 3.99Å; V1259-I1297 HydrophobicContact CG2-CD1 4Å; V1259-I1299 HydrophobicContact CG1-CG2 4.45Å
1260	H	94.6	Very high	87.1	Confident	51 Å²	51	47.6 Å²	47.6	24%	0.236	25%	0.247	C	C	.	.	H	α-helix	trans	-56.4	-55.9	176.4	-125.4	-77.7	0	0	0	110.9	P1256 E1257 F1262 F1263 E1264 D1298 D1301	P1256-H1260 PolarHBondContact O-N 3.49Å; E1257-H1260 PolarHBondContact O-N 3.1Å; H1260-F1262 PolarHBondContact O-N 3.13Å; H1260-F1263 PolarHBondContact O-N 2.95Å; H1260-E1264 WeakPolarHBondContact O-CG 3.35Å; H1260-E1264 PolarHBondContact O-N 3.3Å; H1260-D1298 PolarHBondContact NE2-O 2.81Å; H1260-D1301 IonicContact CE1-OD1 3Å; H1260-D1301 PolarHBondContact CE1-OD1 2.99Å; H1260-D1301 IonicContact CE1-OD2 3.26Å; H1260-D1301 IonicContact NE2-OD1 3.11Å
1261	S	93.2	Very high	84.5	Confident	41 Å²	41	54.4 Å²	54.4	29%	0.287	28%	0.276	S	S	.	.	H	α-helix	trans	-58	-32.2	176.7	179	0	0	0	0	113.5	E1257 R1265	E1257-S1261 WeakPolarHBondContact O-CB 3.4Å; E1257-S1261 PolarHBondContact O-N 2.75Å; S1261-R1265 WeakPolarHBondContact O-CB 3.35Å; S1261-R1265 WeakPolarHBondContact O-CG 3.45Å; S1261-R1265 PolarHBondContact O-N 2.84Å; S1261-R1265 PolarHBondContact O-NE 3.26Å; S1261-R1265 PolarHBondContact OG-NE 2.9Å; S1261-R1265 PolarHBondContact OG-NH2 3.3Å; S1261-R1265 VanDerWaalsContact OG-NH2 3.09Å
1262	F	94.1	Very high	81.9	Confident	1 Å²	1	62.1 Å²	62.1	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-67.8	-40.7	176.1	172.3	-76.3	0	0	0	111.5	P1149 I1150 V1153 L1242 F1258 V1259 H1260 R1266	P1149-F1262 HydrophobicContact CB-CE2 4.28Å; P1149-F1262 HydrophobicContact CB-CZ 3.87Å; P1149-F1262 WeakPolarHBondContact O-CZ 3.45Å; I1150-F1262 HydrophobicContact CG1-CE1 4.14Å; V1153-F1262 HydrophobicContact CB-CD1 4.46Å; V1153-F1262 HydrophobicContact CB-CE1 4.24Å; V1153-F1262 HydrophobicContact CB-CZ 4.3Å; V1153-F1262 HydrophobicContact CG1-CD1 4.38Å; V1153-F1262 HydrophobicContact CG2-CD1 4.14Å; V1153-F1262 HydrophobicContact CG2-CD2 3.68Å; V1153-F1262 HydrophobicContact CG2-CE1 3.94Å; V1153-F1262 HydrophobicContact CG2-CE2 3.44Å; V1153-F1262 VanDerWaalsContact CG2-CE2 3.44Å; V1153-F1262 HydrophobicContact CG2-CG 4.06Å; V1153-F1262 HydrophobicContact CG2-CZ 3.6Å; L1242-F1262 HydrophobicContact CD1-CD2 3.96Å; L1242-F1262 HydrophobicContact CD1-CE2 3.75Å; L1242-F1262 HydrophobicContact CD2-CE2 4.16Å; F1258-F1262 HydrophobicContact CE1-CB 4.18Å; F1258-F1262 HydrophobicContact CE1-CD2 4.12Å; F1258-F1262 HydrophobicContact CE1-CG 4.47Å; F1258-F1262 HydrophobicContact CZ-CB 4.47Å; F1258-F1262 HydrophobicContact CZ-CD2 4.11Å; F1258-F1262 WeakPolarHBondContact O-CB 3.42Å; F1258-F1262 PolarHBondContact O-N 3.43Å; V1259-F1262 WeakPolarHBondContact O-CB 3.42Å; V1259-F1262 PolarHBondContact O-N 2.89Å; H1260-F1262 PolarHBondContact O-N 3.13Å; F1262-R1266 VanDerWaalsContact CE2-NH2 3.32Å; F1262-R1266 VanDerWaalsContact CZ-CZ 3.43Å; F1262-R1266 PolarHBondContact O-NH1 3.17Å
1263	F	92.6	Very high	79.4	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-78	-42.5	177.1	-82.4	-84.2	0	0	0	112.2	I1150 V1153 V1154 V1259 H1260 R1265 R1266 C1267 P1284 A1288 L1292 I1299 I1302	I1150-F1263 HydrophobicContact CG1-CE1 4.33Å; I1150-F1263 HydrophobicContact CG2-CE1 4Å; I1150-F1263 HydrophobicContact CG2-CZ 3.9Å; V1153-F1263 HydrophobicContact CG1-CE2 4.43Å; V1154-F1263 HydrophobicContact CG2-CZ 4.37Å; V1259-F1263 HydrophobicContact CG1-CD2 3.99Å; V1259-F1263 HydrophobicContact CG1-CE2 4.07Å; V1259-F1263 WeakPolarHBondContact O-CD2 3.48Å; V1259-F1263 PolarHBondContact O-N 3.07Å; H1260-F1263 PolarHBondContact O-N 2.95Å; F1263-R1265 VanDerWaalsContact C-N 3.31Å; F1263-R1265 PolarHBondContact O-N 3.33Å; F1263-R1266 PolarHBondContact O-N 2.99Å; F1263-C1267 WeakPolarHBondContact O-CB 3.49Å; F1263-C1267 PolarHBondContact O-N 3.33Å; F1263-P1284 HydrophobicContact CB-CG 4.24Å; F1263-P1284 HydrophobicContact CD1-CB 3.76Å; F1263-P1284 HydrophobicContact CD1-CG 4.04Å; F1263-P1284 HydrophobicContact CE1-CB 4.19Å; F1263-P1284 HydrophobicContact CG-CG 4.44Å; F1263-A1288 HydrophobicContact CE1-CB 4.25Å; F1263-A1288 HydrophobicContact CZ-CB 4.12Å; F1263-L1292 HydrophobicContact CD2-CD1 4.28Å; F1263-L1292 HydrophobicContact CE2-CD1 3.57Å; F1263-L1292 HydrophobicContact CZ-CD1 4.04Å; F1263-I1299 HydrophobicContact CB-CD1 4.2Å; F1263-I1299 HydrophobicContact CD1-CD1 3.71Å; F1263-I1299 HydrophobicContact CD2-CD1 3.56Å; F1263-I1299 HydrophobicContact CE1-CD1 3.88Å; F1263-I1299 HydrophobicContact CE2-CD1 3.78Å; F1263-I1299 HydrophobicContact CG-CD1 3.53Å; F1263-I1299 HydrophobicContact CZ-CD1 3.9Å; F1263-I1302 HydrophobicContact CB-CD1 3.7Å
1264	E	88.5	Confident	77	Confident	98 Å²	98	67 Å²	67	46%	0.458	32%	0.318	S	S	.	.	H	α-helix	trans	-49.5	-52.5	174	-75.5	-169.6	119	0	0	111.3	H1260 R1266 C1267 Y1268 I1302	H1260-E1264 WeakPolarHBondContact O-CG 3.35Å; H1260-E1264 PolarHBondContact O-N 3.3Å; E1264-R1266 PolarHBondContact O-N 2.89Å; E1264-R1266 VanDerWaalsContact O-N 3.15Å; E1264-C1267 PolarHBondContact O-N 2.93Å; E1264-Y1268 WeakPolarHBondContact O-CA 3.25Å; E1264-Y1268 VanDerWaalsContact O-CB 3.26Å; E1264-Y1268 WeakPolarHBondContact O-CB 3.4Å; E1264-Y1268 PolarHBondContact O-N 3.15Å; E1264-I1302 HydrophobicContact CG-CD1 3.97Å; E1264-I1302 HydrophobicContact CG-CG1 4.38Å
1265	R	85.4	Confident	74.2	Confident	90 Å²	90	66.6 Å²	66.6	34%	0.34	32%	0.318	S	S	.	.	H	α-helix	trans	-61.3	-23.3	-178.4	-78.1	177.8	-75.4	170.2	-5.7	114.3	W1181 S1261 F1263	W1181-R1265 VanDerWaalsContact CA-O 3.25Å; W1181-R1265 WeakPolarHBondContact CA-O 3.42Å; W1181-R1265 WeakPolarHBondContact CB-O 3.23Å; S1261-R1265 WeakPolarHBondContact O-CB 3.35Å; S1261-R1265 WeakPolarHBondContact O-CG 3.45Å; S1261-R1265 PolarHBondContact O-N 2.84Å; S1261-R1265 PolarHBondContact O-NE 3.26Å; S1261-R1265 PolarHBondContact OG-NE 2.9Å; S1261-R1265 PolarHBondContact OG-NH2 3.3Å; S1261-R1265 VanDerWaalsContact OG-NH2 3.09Å; F1263-R1265 VanDerWaalsContact C-N 3.31Å; F1263-R1265 PolarHBondContact O-N 3.33Å
1266	R	86.2	Confident	71.5	Confident	15 Å²	15	74.7 Å²	74.7	6%	0.057	36%	0.355	C	S	.	.	H	α-helix	trans	-97.3	-32.7	-179.2	-70.9	176.9	-179.5	73.5	2.6	113.2	P1180 Y1238 F1262 F1263 E1264 Y1268	P1180-R1266 WeakPolarHBondContact O-CG 3.46Å; P1180-R1266 PolarHBondContact O-NE 3.21Å; P1180-R1266 PolarHBondContact O-NH1 2.85Å; P1180-R1266 PolarHBondContact O-NH2 2.96Å; Y1238-R1266 PolarHBondContact OH-NH2 3.16Å; F1262-R1266 VanDerWaalsContact CE2-NH2 3.32Å; F1262-R1266 VanDerWaalsContact CZ-CZ 3.43Å; F1262-R1266 PolarHBondContact O-NH1 3.17Å; F1263-R1266 PolarHBondContact O-N 2.99Å; E1264-R1266 PolarHBondContact O-N 2.89Å; E1264-R1266 VanDerWaalsContact O-N 3.15Å; R1266-Y1268 VanDerWaalsContact C-N 3.33Å
1267	C	72.9	Confident	68.6	Low	10 Å²	10	78.3 Å²	78.3	7%	0.068	38%	0.381	C	S	.	.	H	α-helix	trans	-93.1	9.3	178.3	-59.8	0	0	0	0	113.2	F1263 E1264 G1281 I1302	F1263-C1267 WeakPolarHBondContact O-CB 3.49Å; F1263-C1267 PolarHBondContact O-N 3.33Å; E1264-C1267 PolarHBondContact O-N 2.93Å; C1267-G1281 VanDerWaalsContact CA-O 3.24Å; C1267-G1281 WeakPolarHBondContact CA-O 3.43Å; C1267-I1302 HydrophobicContact CB-CG2 4.08Å
1268	Y	59.1	Low	66.1	Low	141 Å²	141	75.4 Å²	75.4	55%	0.553	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-66.1	153.1	-168.4	-160.2	-116.4	0	0	0	114.4	E1264 R1266 G1270	E1264-Y1268 WeakPolarHBondContact O-CA 3.25Å; E1264-Y1268 VanDerWaalsContact O-CB 3.26Å; E1264-Y1268 WeakPolarHBondContact O-CB 3.4Å; E1264-Y1268 PolarHBondContact O-N 3.15Å; R1266-Y1268 VanDerWaalsContact C-N 3.33Å; Y1268-G1270 PolarHBondContact O-N 3.47Å
1269	K	49.9	Very low	63.8	Low	127 Å²	127	76.6 Å²	76.6	55%	0.552	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-66.9	119.1	166.4	-91.2	173	169.7	163.1	0	109.9	K1271	K1269-K1271 PolarHBondContact O-N 3.48Å
1270	G	42.2	Very low	61.5	Low	23 Å²	23	81.6 Å²	81.6	24%	0.237	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-52.4	140.3	160	0	0	0	0	0	110.5	Y1268	Y1268-G1270 PolarHBondContact O-N 3.47Å
1271	K	43.3	Very low	59.5	Low	144 Å²	144	81 Å²	81	63%	0.626	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-60.4	163	168	-69.2	176.6	178	175.9	0	109.1	K1269 D1273 E1274	K1269-K1271 PolarHBondContact O-N 3.48Å; K1271-D1273 PolarHBondContact O-N 3.49Å; K1271-E1274 HydrophobicContact CB-CG 4.3Å; K1271-E1274 PolarHBondContact N-OE2 3.32Å; K1271-E1274 PolarHBondContact O-N 2.85Å
1272	K	40.9	Very low	58.1	Low	215 Å²	215	82.4 Å²	82.4	94%	0.935	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-29.1	-176.6	-81.4	-171.9	173.1	-177.2	0	113.6
1273	D	45.2	Very low	57.3	Low	154 Å²	154	89 Å²	89	82%	0.824	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-2.5	-174.9	-36.2	-73.2	0	0	0	113.1	K1271	K1271-D1273 PolarHBondContact O-N 3.49Å
1274	E	44.6	Very low	57.1	Low	88 Å²	88	89.5 Å²	89.5	41%	0.411	44%	0.44	S	S	.	.	S	Bend	trans	-107.5	118.4	-178.7	-66.4	-177.3	130.6	0	0	110.8	K1271 Q1276	K1271-E1274 HydrophobicContact CB-CG 4.3Å; K1271-E1274 PolarHBondContact N-OE2 3.32Å; K1271-E1274 PolarHBondContact O-N 2.85Å; E1274-Q1276 PolarHBondContact O-N 2.98Å
1275	S	38.7	Very low	57.1	Low	56 Å²	56	86.9 Å²	86.9	39%	0.392	43%	0.432	S	S	.	.			trans	-63.4	130	-171.4	79.9	0	0	0	0	112.2	S1277 E1278	S1275-S1277 PolarHBondContact O-N 2.77Å; S1275-S1277 PolarHBondContact OG-OG 3.41Å; S1275-E1278 PolarHBondContact O-N 3.36Å
1276	Q	40.1	Very low	57.4	Low	169 Å²	169	86 Å²	86	79%	0.79	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-54.9	-16.4	176.7	-67.9	177.2	-18.1	0	0	114.1	E1274 E1278	E1274-Q1276 PolarHBondContact O-N 2.98Å; Q1276-E1278 PolarHBondContact O-N 2.97Å; Q1276-E1278 VanDerWaalsContact O-N 3.12Å
1277	S	38.3	Very low	57.8	Low	90 Å²	90	86.1 Å²	86.1	63%	0.629	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-66.5	-3.8	-178.7	75	0	0	0	0	116.4	S1275	S1275-S1277 PolarHBondContact O-N 2.77Å; S1275-S1277 PolarHBondContact OG-OG 3.41Å
1278	E	43.6	Very low	58.8	Low	48 Å²	48	85.7 Å²	85.7	22%	0.224	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-102.3	-10.4	-176.9	-66.1	-171.2	-132.5	0	0	115	K1190 Y1191 S1275 Q1276	K1190-E1278 WeakPolarHBondContact CE-OE1 3.38Å; K1190-E1278 IonicContact NZ-OE1 3.39Å; K1190-E1278 PolarHBondContact NZ-OE1 2.88Å; K1190-E1278 IonicContact NZ-OE2 2.96Å; Y1191-E1278 PolarHBondContact OH-OE2 3.48Å; S1275-E1278 PolarHBondContact O-N 3.36Å; Q1276-E1278 PolarHBondContact O-N 2.97Å; Q1276-E1278 VanDerWaalsContact O-N 3.12Å
1279	Y	48.2	Very low	60.6	Low	48 Å²	48	79.6 Å²	79.6	19%	0.188	41%	0.411	C	S	.	.	S	Bend	trans	-106	139.7	-170.8	-51.8	-86.8	0	0	0	112.1	G1281	Y1279-G1281 PolarHBondContact O-N 3.45Å
1280	E	49.1	Very low	62.8	Low	105 Å²	105	77.4 Å²	77.4	49%	0.491	41%	0.406	S	S	.	.	S	Bend	trans	-83.7	64.1	178.9	-71.9	-171.7	165.4	0	0	111.9	Q1183	Q1183-E1280 PolarHBondContact NE2-OE1 2.87Å
1281	G	53.6	Low	65.4	Low	39 Å²	39	76.3 Å²	76.3	40%	0.402	40%	0.395	S	S	.	.			trans	83.3	143.2	172.8	0	0	0	0	0	114.6	C1267 Y1279 R1283	C1267-G1281 VanDerWaalsContact CA-O 3.24Å; C1267-G1281 WeakPolarHBondContact CA-O 3.43Å; Y1279-G1281 PolarHBondContact O-N 3.45Å; G1281-R1283 PolarHBondContact O-N 3.29Å; G1281-R1283 VanDerWaalsContact O-N 3.16Å
1282	C	63.5	Low	68	Low	70 Å²	70	69.4 Å²	69.4	47%	0.473	37%	0.365	S	S	.	.	S	Bend	trans	-77.6	6.3	-175.8	-55.1	0	0	0	0	114.8	G1303 L1306	C1282-G1303 WeakPolarHBondContact O-CA 3.21Å; C1282-L1306 HydrophobicContact CB-CD1 4.17Å
1283	R	77.8	Confident	70.7	Confident	138 Å²	138	64.8 Å²	64.8	52%	0.521	34%	0.344	S	S	.	.	S	Bend	trans	-148.5	149.5	179.4	-67.8	-172.7	177.2	164.9	0.6	109.5	G1281 G1303	G1281-R1283 PolarHBondContact O-N 3.29Å; G1281-R1283 VanDerWaalsContact O-N 3.16Å; R1283-G1303 PolarHBondContact NE-O 3.4Å; R1283-G1303 PolarHBondContact NH2-O 3.28Å
1284	P	87.7	Confident	73.1	Confident	12 Å²	12	59.3 Å²	59.3	8%	0.078	32%	0.319	C	S	.	.			trans	-61.2	155.1	173.1	-24.6	35.7	0	0	0	113.1	F1263 I1299 I1302	F1263-P1284 HydrophobicContact CB-CG 4.24Å; F1263-P1284 HydrophobicContact CD1-CB 3.76Å; F1263-P1284 HydrophobicContact CD1-CG 4.04Å; F1263-P1284 HydrophobicContact CE1-CB 4.19Å; F1263-P1284 HydrophobicContact CG-CG 4.44Å; P1284-I1299 HydrophobicContact CB-CD1 3.67Å; P1284-I1299 HydrophobicContact CB-CG1 4.36Å; P1284-I1299 HydrophobicContact CG-CD1 3.94Å; P1284-I1299 HydrophobicContact CG-CG1 4.36Å; P1284-I1302 WeakPolarHBondContact CD-O 3.4Å; P1284-I1302 HydrophobicContact CG-CB 3.94Å; P1284-I1302 HydrophobicContact CG-CD1 4.29Å; P1284-I1302 HydrophobicContact CG-CG2 4.22Å
1285	P	89.3	Confident	75.6	Confident	43 Å²	43	55.8 Å²	55.8	28%	0.279	30%	0.303	S	S	.	.			trans	-62.8	137.9	172.9	-21.5	33.6	0	0	0	112.3	W1287 A1288 C1289	P1285-W1287 HydrophobicContact CB-CG 4.48Å; P1285-W1287 VanDerWaalsContact CB-NE1 3.32Å; P1285-W1287 PolarHBondContact O-N 3.5Å; P1285-A1288 HydrophobicContact CB-CB 4.24Å; P1285-A1288 WeakPolarHBondContact O-CA 3.42Å; P1285-A1288 WeakPolarHBondContact O-CB 3.26Å; P1285-A1288 PolarHBondContact O-N 3.14Å; P1285-C1289 PolarHBondContact O-N 3.48Å
1286	T	91.1	Very high	78.3	Confident	70 Å²	70	55.3 Å²	55.3	43%	0.429	31%	0.307	S	S	.	.	H	α-helix	trans	-49.3	-55.4	179	43.3	0	0	0	0	112.9	A1288 C1289 D1290	T1286-A1288 PolarHBondContact O-N 3.27Å; T1286-A1288 VanDerWaalsContact O-N 3.07Å; T1286-C1289 WeakPolarHBondContact O-CA 3.2Å; T1286-C1289 VanDerWaalsContact O-CB 3.31Å; T1286-C1289 WeakPolarHBondContact O-CB 3.49Å; T1286-C1289 PolarHBondContact O-N 3.36Å; T1286-D1290 PolarHBondContact O-N 3.25Å
1287	W	94.4	Very high	81	Confident	19 Å²	19	47.5 Å²	47.5	7%	0.072	27%	0.271	C	S	.	.	H	α-helix	trans	-54.9	-30.2	178	74.3	-92.8	0	0	0	113.5	K1121 D1122 W1125 I1150 D1151 V1154 P1285 A1291	K1121-W1287 HydrophobicContact CB-CB 3.93Å; K1121-W1287 HydrophobicContact CB-CD2 3.65Å; K1121-W1287 HydrophobicContact CB-CE3 4.25Å; K1121-W1287 HydrophobicContact CB-CG 3.46Å; K1121-W1287 VanDerWaalsContact CB-CG 3.46Å; K1121-W1287 HydrophobicContact CD-CD2 4Å; K1121-W1287 HydrophobicContact CD-CE3 4.19Å; K1121-W1287 HydrophobicContact CD-CH2 4.04Å; K1121-W1287 HydrophobicContact CD-CZ2 3.82Å; K1121-W1287 HydrophobicContact CD-CZ3 4.21Å; K1121-W1287 HydrophobicContact CG-CD2 4.07Å; K1121-W1287 HydrophobicContact CG-CG 4.22Å; K1121-W1287 HydrophobicContact CG-CZ2 4.39Å; D1122-W1287 WeakPolarHBondContact OD1-CB 3.45Å; W1125-W1287 HydrophobicContact CB-CE3 4.35Å; W1125-W1287 AromaticContact CD1-CE3 4Å; W1125-W1287 PolarHBondContact NE1-O 3.24Å; I1150-W1287 HydrophobicContact CG2-CH2 3.96Å; I1150-W1287 HydrophobicContact CG2-CZ2 3.78Å; D1151-W1287 VanDerWaalsContact OD1-CH2 3.25Å; D1151-W1287 WeakPolarHBondContact OD1-CH2 3.34Å; D1151-W1287 WeakPolarHBondContact OD1-CZ2 3.37Å; V1154-W1287 HydrophobicContact CB-CZ3 4.2Å; V1154-W1287 HydrophobicContact CG1-CZ3 3.99Å; V1154-W1287 HydrophobicContact CG2-CH2 4.25Å; V1154-W1287 HydrophobicContact CG2-CZ3 4.14Å; P1285-W1287 HydrophobicContact CB-CG 4.48Å; P1285-W1287 VanDerWaalsContact CB-NE1 3.32Å; P1285-W1287 PolarHBondContact O-N 3.5Å; W1287-A1291 WeakPolarHBondContact O-CB 3.02Å; W1287-A1291 PolarHBondContact O-N 2.81Å
1288	A	94.8	Very high	83.6	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-80.3	-38.7	179.3	0	0	0	0	0	111	I1150 V1154 F1263 P1285 T1286 D1290 L1292	I1150-A1288 HydrophobicContact CG2-CB 4.38Å; V1154-A1288 HydrophobicContact CG2-CB 4.09Å; F1263-A1288 HydrophobicContact CE1-CB 4.25Å; F1263-A1288 HydrophobicContact CZ-CB 4.12Å; P1285-A1288 HydrophobicContact CB-CB 4.24Å; P1285-A1288 WeakPolarHBondContact O-CA 3.42Å; P1285-A1288 WeakPolarHBondContact O-CB 3.26Å; P1285-A1288 PolarHBondContact O-N 3.14Å; T1286-A1288 PolarHBondContact O-N 3.27Å; T1286-A1288 VanDerWaalsContact O-N 3.07Å; A1288-D1290 VanDerWaalsContact C-N 3.35Å; A1288-L1292 VanDerWaalsContact O-CB 3.28Å; A1288-L1292 WeakPolarHBondContact O-CB 3.46Å; A1288-L1292 WeakPolarHBondContact O-CD1 3.35Å; A1288-L1292 VanDerWaalsContact O-CG 3.25Å; A1288-L1292 WeakPolarHBondContact O-CG 3.48Å; A1288-L1292 PolarHBondContact O-N 3.22Å
1289	C	95.3	Very high	86	Confident	13 Å²	13	43.7 Å²	43.7	9%	0.088	24%	0.244	C	C	.	.	H	α-helix	trans	-56.3	-49.9	167.9	-59.1	0	0	0	0	110.7	P1285 T1286 L1292 K1293 I1299	P1285-C1289 PolarHBondContact O-N 3.48Å; T1286-C1289 WeakPolarHBondContact O-CA 3.2Å; T1286-C1289 VanDerWaalsContact O-CB 3.31Å; T1286-C1289 WeakPolarHBondContact O-CB 3.49Å; T1286-C1289 PolarHBondContact O-N 3.36Å; C1289-L1292 PolarHBondContact O-N 2.88Å; C1289-K1293 WeakPolarHBondContact O-CB 3.21Å; C1289-K1293 PolarHBondContact O-N 3.21Å; C1289-I1299 HydrophobicContact CB-CG1 4.48Å
1290	D	96.7	Very high	87.8	Confident	81 Å²	81	42.5 Å²	42.5	43%	0.433	24%	0.243	S	C	.	.	H	α-helix	trans	-67	-43.2	-176.5	-65.8	-24.2	0	0	0	112	W1125 T1286 A1288 K1293 S1294	W1125-D1290 HydrophobicContact CZ2-CB 3.93Å; T1286-D1290 PolarHBondContact O-N 3.25Å; A1288-D1290 VanDerWaalsContact C-N 3.35Å; D1290-K1293 PolarHBondContact O-N 2.73Å; D1290-S1294 WeakPolarHBondContact O-CB 3.39Å; D1290-S1294 PolarHBondContact O-N 2.82Å
1291	A	97.3	Very high	89.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.8	-48.3	176.2	0	0	0	0	0	112.3	W1125 V1154 W1287 S1294	W1125-A1291 HydrophobicContact CB-CB 3.93Å; W1125-A1291 HydrophobicContact CD2-CB 3.52Å; W1125-A1291 HydrophobicContact CE3-CB 3.81Å; W1125-A1291 HydrophobicContact CG-CB 3.59Å; W1125-A1291 HydrophobicContact CZ3-CB 4.5Å; V1154-A1291 HydrophobicContact CG1-CB 3.47Å; V1154-A1291 VanDerWaalsContact CG1-CB 3.47Å; W1287-A1291 WeakPolarHBondContact O-CB 3.02Å; W1287-A1291 PolarHBondContact O-N 2.81Å; A1291-S1294 WeakPolarHBondContact O-CB 3.49Å; A1291-S1294 PolarHBondContact O-N 3.33Å; A1291-S1294 PolarHBondContact O-OG 3.31Å
1292	L	97.8	Very high	91	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69.5	-39.4	-179.6	-71.9	169.4	0	0	0	112	V1154 A1157 V1259 F1263 A1288 C1289 S1294 V1295 G1296 I1297 I1299	V1154-L1292 HydrophobicContact CG2-CD1 4.21Å; V1154-L1292 HydrophobicContact CG2-CD2 4.41Å; V1154-L1292 HydrophobicContact CG2-CG 4.15Å; A1157-L1292 HydrophobicContact CB-CD2 3.57Å; V1259-L1292 HydrophobicContact CG1-CD1 3.75Å; V1259-L1292 HydrophobicContact CG1-CD2 4.07Å; F1263-L1292 HydrophobicContact CD2-CD1 4.28Å; F1263-L1292 HydrophobicContact CE2-CD1 3.57Å; F1263-L1292 HydrophobicContact CZ-CD1 4.04Å; A1288-L1292 VanDerWaalsContact O-CB 3.28Å; A1288-L1292 WeakPolarHBondContact O-CB 3.46Å; A1288-L1292 WeakPolarHBondContact O-CD1 3.35Å; A1288-L1292 VanDerWaalsContact O-CG 3.25Å; A1288-L1292 WeakPolarHBondContact O-CG 3.48Å; A1288-L1292 PolarHBondContact O-N 3.22Å; C1289-L1292 PolarHBondContact O-N 2.88Å; L1292-S1294 PolarHBondContact O-N 3.37Å; L1292-V1295 CarbonylContact O-C 3.59Å; L1292-V1295 WeakPolarHBondContact O-CA 3.42Å; L1292-V1295 VanDerWaalsContact O-CG2 3.27Å; L1292-V1295 WeakPolarHBondContact O-CG2 3.38Å; L1292-V1295 PolarHBondContact O-N 2.84Å; L1292-G1296 PolarHBondContact O-N 3.39Å; L1292-G1296 VanDerWaalsContact O-N 3.16Å; L1292-I1297 CarbonylContact C-O 3.04Å; L1292-I1297 HydrophobicContact CB-CB 4.18Å; L1292-I1297 HydrophobicContact CB-CG2 4.47Å; L1292-I1297 WeakPolarHBondContact CB-O 3.3Å; L1292-I1297 PolarHBondContact O-N 3.03Å; L1292-I1299 HydrophobicContact CD1-CD1 3.6Å; L1292-I1299 HydrophobicContact CD1-CG1 4.18Å
1293	K	97.1	Very high	91.3	Very high	117 Å²	117	38.3 Å²	38.3	51%	0.509	22%	0.216	S	C	.	.	H	α-helix	trans	-64.1	-31.8	174.9	-172.9	165.5	-174.3	154.5	0	111.6	C1289 D1290 V1295 G1296 I1297 D1298	C1289-K1293 WeakPolarHBondContact O-CB 3.21Å; C1289-K1293 PolarHBondContact O-N 3.21Å; D1290-K1293 PolarHBondContact O-N 2.73Å; K1293-V1295 PolarHBondContact O-N 3.17Å; K1293-G1296 PolarHBondContact O-N 2.85Å; K1293-I1297 WeakPolarHBondContact CA-O 3.45Å; K1293-I1297 PolarHBondContact N-O 3.19Å; K1293-D1298 WeakPolarHBondContact CE-OD2 3.49Å; K1293-D1298 IonicContact NZ-OD2 2.68Å; K1293-D1298 PolarHBondContact NZ-OD2 3.14Å
1294	S	97.1	Very high	90.5	Very high	40 Å²	40	38.1 Å²	38.1	28%	0.28	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-8.4	171.9	94.2	0	0	0	0	114.5	W1125 K1129 D1290 A1291 L1292	W1125-S1294 WeakPolarHBondContact CZ3-OG 3.22Å; K1129-S1294 WeakPolarHBondContact CD-OG 3.25Å; K1129-S1294 PolarHBondContact NZ-O 3.14Å; K1129-S1294 PolarHBondContact NZ-OG 3.19Å; D1290-S1294 WeakPolarHBondContact O-CB 3.39Å; D1290-S1294 PolarHBondContact O-N 2.82Å; A1291-S1294 WeakPolarHBondContact O-CB 3.49Å; A1291-S1294 PolarHBondContact O-N 3.33Å; A1291-S1294 PolarHBondContact O-OG 3.31Å; L1292-S1294 PolarHBondContact O-N 3.37Å
1295	V	96.5	Very high	88.7	Confident	14 Å²	14	44.3 Å²	44.3	9%	0.085	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	33.6	168.3	-65.7	0	0	0	0	111.1	T902 R903 A1157 L1158 L1292 K1293 I1297	T902-V1295 HydrophobicContact CG2-CG2 4.46Å; R903-V1295 HydrophobicContact CG-CG1 4.4Å; A1157-V1295 HydrophobicContact CB-CG2 3.99Å; L1158-V1295 HydrophobicContact CD2-CG1 3.83Å; L1158-V1295 HydrophobicContact CD2-CG2 4.4Å; L1292-V1295 CarbonylContact O-C 3.59Å; L1292-V1295 WeakPolarHBondContact O-CA 3.42Å; L1292-V1295 VanDerWaalsContact O-CG2 3.27Å; L1292-V1295 WeakPolarHBondContact O-CG2 3.38Å; L1292-V1295 PolarHBondContact O-N 2.84Å; K1293-V1295 PolarHBondContact O-N 3.17Å; V1295-I1297 PolarHBondContact O-N 3.19Å
1296	G	94.8	Very high	86.8	Confident	46 Å²	46	45.5 Å²	45.5	47%	0.474	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-2.1	167.2	0	0	0	0	0	117.4	Q901 L1292 K1293	Q901-G1296 PolarHBondContact NE2-O 3.1Å; L1292-G1296 PolarHBondContact O-N 3.39Å; L1292-G1296 VanDerWaalsContact O-N 3.16Å; K1293-G1296 PolarHBondContact O-N 2.85Å
1297	I	96.2	Very high	84.3	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.026	27%	0.272	C	S	.	.			trans	-102.3	111.6	179.6	-61.4	173.4	0	0	0	110.1	T902 F1255 P1256 V1259 L1292 K1293 V1295 I1299	T902-I1297 HydrophobicContact CG2-CD1 3.45Å; T902-I1297 VanDerWaalsContact CG2-CD1 3.45Å; T902-I1297 HydrophobicContact CG2-CG1 3.92Å; F1255-I1297 HydrophobicContact CE1-CD1 4.44Å; P1256-I1297 HydrophobicContact CB-CD1 4.11Å; P1256-I1297 HydrophobicContact CB-CG1 4.14Å; P1256-I1297 HydrophobicContact CG-CD1 4.41Å; V1259-I1297 HydrophobicContact CB-CD1 4.13Å; V1259-I1297 HydrophobicContact CB-CG2 4.44Å; V1259-I1297 HydrophobicContact CG1-CD1 4.35Å; V1259-I1297 HydrophobicContact CG1-CG2 3.99Å; V1259-I1297 HydrophobicContact CG2-CD1 4Å; L1292-I1297 CarbonylContact C-O 3.04Å; L1292-I1297 HydrophobicContact CB-CB 4.18Å; L1292-I1297 HydrophobicContact CB-CG2 4.47Å; L1292-I1297 WeakPolarHBondContact CB-O 3.3Å; L1292-I1297 PolarHBondContact O-N 3.03Å; K1293-I1297 WeakPolarHBondContact CA-O 3.45Å; K1293-I1297 PolarHBondContact N-O 3.19Å; V1295-I1297 PolarHBondContact O-N 3.19Å; I1297-I1299 HydrophobicContact CG2-CG2 4.02Å
1298	D	94.5	Very high	81.5	Confident	57 Å²	57	52.7 Å²	52.7	31%	0.305	31%	0.307	S	S	.	.			trans	-96.9	119.3	171.6	-158.7	-27.9	0	0	0	110.8	H1260 K1293 S1300	H1260-D1298 PolarHBondContact NE2-O 2.81Å; K1293-D1298 WeakPolarHBondContact CE-OD2 3.49Å; K1293-D1298 IonicContact NZ-OD2 2.68Å; K1293-D1298 PolarHBondContact NZ-OD2 3.14Å; D1298-S1300 WeakPolarHBondContact OD1-CB 3.17Å; D1298-S1300 PolarHBondContact OD1-N 3.46Å; D1298-S1300 PolarHBondContact OD1-OG 2.61Å
1299	I	92.4	Very high	78.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	34%	0.339	C	S	.	.			trans	-114.6	9.6	174.4	56.9	165.5	0	0	0	112.1	V1259 F1263 P1284 C1289 L1292 I1297 D1301 I1302	V1259-I1299 HydrophobicContact CG1-CG2 4.45Å; F1263-I1299 HydrophobicContact CB-CD1 4.2Å; F1263-I1299 HydrophobicContact CD1-CD1 3.71Å; F1263-I1299 HydrophobicContact CD2-CD1 3.56Å; F1263-I1299 HydrophobicContact CE1-CD1 3.88Å; F1263-I1299 HydrophobicContact CE2-CD1 3.78Å; F1263-I1299 HydrophobicContact CG-CD1 3.53Å; F1263-I1299 HydrophobicContact CZ-CD1 3.9Å; P1284-I1299 HydrophobicContact CB-CD1 3.67Å; P1284-I1299 HydrophobicContact CB-CG1 4.36Å; P1284-I1299 HydrophobicContact CG-CD1 3.94Å; P1284-I1299 HydrophobicContact CG-CG1 4.36Å; C1289-I1299 HydrophobicContact CB-CG1 4.48Å; L1292-I1299 HydrophobicContact CD1-CD1 3.6Å; L1292-I1299 HydrophobicContact CD1-CG1 4.18Å; I1297-I1299 HydrophobicContact CG2-CG2 4.02Å; I1299-D1301 VanDerWaalsContact C-OD1 3.27Å; I1299-D1301 PolarHBondContact O-N 3.37Å; I1299-I1302 HydrophobicContact CB-CD1 3.87Å; I1299-I1302 HydrophobicContact CB-CG1 4.41Å; I1299-I1302 HydrophobicContact CG2-CD1 4.13Å; I1299-I1302 WeakPolarHBondContact O-CB 3.39Å; I1299-I1302 WeakPolarHBondContact O-CG1 3.21Å; I1299-I1302 PolarHBondContact O-N 2.78Å
1300	S	87.5	Confident	75.5	Confident	24 Å²	24	63.2 Å²	63.2	17%	0.168	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.3	-170.7	69.6	0	0	0	0	113.7	D1298 R1304	D1298-S1300 WeakPolarHBondContact OD1-CB 3.17Å; D1298-S1300 PolarHBondContact OD1-N 3.46Å; D1298-S1300 PolarHBondContact OD1-OG 2.61Å; S1300-R1304 VanDerWaalsContact C-CZ 3.47Å; S1300-R1304 PolarHBondContact O-NE 3.22Å; S1300-R1304 PolarHBondContact O-NH2 2.89Å; S1300-R1304 VanDerWaalsContact O-NH2 3.13Å; S1300-R1304 PolarHBondContact OG-NH1 3.31Å; S1300-R1304 PolarHBondContact OG-NH2 2.96Å
1301	D	85.1	Confident	72.3	Confident	81 Å²	81	63.3 Å²	63.3	43%	0.433	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-27.1	171.9	67.1	-47.5	0	0	0	113.4	H1260 I1299 G1303 R1304	H1260-D1301 IonicContact CE1-OD1 3Å; H1260-D1301 PolarHBondContact CE1-OD1 2.99Å; H1260-D1301 IonicContact CE1-OD2 3.26Å; H1260-D1301 IonicContact NE2-OD1 3.11Å; I1299-D1301 VanDerWaalsContact C-OD1 3.27Å; I1299-D1301 PolarHBondContact O-N 3.37Å; D1301-G1303 PolarHBondContact O-N 2.69Å; D1301-R1304 WeakPolarHBondContact O-CB 3.47Å; D1301-R1304 PolarHBondContact O-N 3.38Å
1302	I	84.5	Confident	69.2	Low	19 Å²	19	71 Å²	71	10%	0.097	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	111.5	178.7	-58	-179.8	0	0	0	109.4	F1263 E1264 C1267 P1284 I1299	F1263-I1302 HydrophobicContact CB-CD1 3.7Å; E1264-I1302 HydrophobicContact CG-CD1 3.97Å; E1264-I1302 HydrophobicContact CG-CG1 4.38Å; C1267-I1302 HydrophobicContact CB-CG2 4.08Å; P1284-I1302 WeakPolarHBondContact CD-O 3.4Å; P1284-I1302 HydrophobicContact CG-CB 3.94Å; P1284-I1302 HydrophobicContact CG-CD1 4.29Å; P1284-I1302 HydrophobicContact CG-CG2 4.22Å; I1299-I1302 HydrophobicContact CB-CD1 3.87Å; I1299-I1302 HydrophobicContact CB-CG1 4.41Å; I1299-I1302 HydrophobicContact CG2-CD1 4.13Å; I1299-I1302 WeakPolarHBondContact O-CB 3.39Å; I1299-I1302 WeakPolarHBondContact O-CG1 3.21Å; I1299-I1302 PolarHBondContact O-N 2.78Å
1303	G	69.3	Low	66.3	Low	25 Å²	25	77.4 Å²	77.4	26%	0.258	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	13.5	-177.4	0	0	0	0	0	115.8	C1282 R1283 D1301 L1306	C1282-G1303 WeakPolarHBondContact O-CA 3.21Å; R1283-G1303 PolarHBondContact NE-O 3.4Å; R1283-G1303 PolarHBondContact NH2-O 3.28Å; D1301-G1303 PolarHBondContact O-N 2.69Å; G1303-L1306 WeakPolarHBondContact O-CD1 3.46Å; G1303-L1306 WeakPolarHBondContact O-CG 3.47Å
1304	R	60.6	Low	63.5	Low	135 Å²	135	78 Å²	78	51%	0.509	44%	0.441	S	S	.	.			trans	-72.2	-35.4	171	-76.2	-167.4	178.4	131	8	113.6	S1300 D1301 L1306	S1300-R1304 VanDerWaalsContact C-CZ 3.47Å; S1300-R1304 PolarHBondContact O-NE 3.22Å; S1300-R1304 PolarHBondContact O-NH2 2.89Å; S1300-R1304 VanDerWaalsContact O-NH2 3.13Å; S1300-R1304 PolarHBondContact OG-NH1 3.31Å; S1300-R1304 PolarHBondContact OG-NH2 2.96Å; D1301-R1304 WeakPolarHBondContact O-CB 3.47Å; D1301-R1304 PolarHBondContact O-N 3.38Å; R1304-L1306 PolarHBondContact O-N 2.81Å
1305	N	50.7	Low	60.8	Low	142 Å²	142	77.9 Å²	77.9	76%	0.759	44%	0.439	S	S	*	.			trans	-75	54.8	-179.2	-68.3	-17.2	0	0	0	113.4
1306	L	49	Very low	58	Low	68 Å²	68	81.5 Å²	81.5	36%	0.356	46%	0.458	S	S	.	.			trans	-113.5	41.8	176.2	-66.4	177.9	0	0	0	110.9	C1282 G1303 R1304 G1308	C1282-L1306 HydrophobicContact CB-CD1 4.17Å; G1303-L1306 WeakPolarHBondContact O-CD1 3.46Å; G1303-L1306 WeakPolarHBondContact O-CG 3.47Å; R1304-L1306 PolarHBondContact O-N 2.81Å; L1306-G1308 PolarHBondContact O-N 2.91Å
1307	N	38.3	Very low	55.3	Low	159 Å²	159	84.6 Å²	84.6	85%	0.85	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	122.1	176.1	-67.8	-7	0	0	0	110.3
1308	G	35	Very low	52.5	Low	80 Å²	80	88.5 Å²	88.5	83%	0.825	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	134.8	-27.8	170.4	0	0	0	0	0	115.7	L1306	L1306-G1308 PolarHBondContact O-N 2.91Å
1309	V	36.7	Very low	49.9	Very low	110 Å²	110	89.7 Å²	89.7	67%	0.667	49%	0.488	S	S	*	.			trans	-140.7	108.7	178.5	-167.7	0	0	0	0	110.6	C1311	V1309-C1311 HydrophobicContact CG1-CB 4.45Å; V1309-C1311 VanDerWaalsContact CG1-SG 3.54Å; V1309-C1311 PolarHBondContact O-N 3.3Å
1310	N	28.5	Very low	47.3	Very low	124 Å²	124	94.2 Å²	94.2	66%	0.663	51%	0.508	S	S	*	.			trans	-80.9	64.9	178.7	-164.6	26.1	0	0	0	111.8	E1313	N1310-E1313 PolarHBondContact ND2-OE2 3Å
1311	C	29.2	Very low	44.9	Very low	84 Å²	84	94.1 Å²	94.1	57%	0.568	51%	0.508	S	S	*	.			trans	-91.1	155.1	168.4	-73.1	0	0	0	0	110.3	V1309	V1309-C1311 HydrophobicContact CG1-CB 4.45Å; V1309-C1311 VanDerWaalsContact CG1-SG 3.54Å; V1309-C1311 PolarHBondContact O-N 3.3Å
1312	Y	32.3	Very low	42.7	Very low	160 Å²	160	95.1 Å²	95.1	63%	0.627	51%	0.508	S	S	*	.	S	Bend	trans	84.7	-3.5	173.5	-67.8	-107	0	0	0	119.2	N1314 V1315	Y1312-N1314 PolarHBondContact O-N 3.4Å; Y1312-V1315 HydrophobicContact CD1-CB 3.36Å; Y1312-V1315 HydrophobicContact CD1-CG1 3.49Å; Y1312-V1315 VanDerWaalsContact CD1-CG1 3.49Å; Y1312-V1315 HydrophobicContact CD1-CG2 3.74Å; Y1312-V1315 HydrophobicContact CE1-CB 3.85Å; Y1312-V1315 HydrophobicContact CE1-CG1 3.53Å; Y1312-V1315 HydrophobicContact CE1-CG2 3.97Å; Y1312-V1315 HydrophobicContact CG-CB 3.96Å; Y1312-V1315 HydrophobicContact CG-CG2 4.03Å; Y1312-V1315 PolarHBondContact O-N 3.49Å
1313	E	37	Very low	40.5	Very low	135 Å²	135	101.9 Å²	101.9	63%	0.631	53%	0.533	S	S	*	.	H	α-helix	trans	-55.8	-40.5	163.1	-75.3	-175.3	141.6	0	0	111.3	N1310 V1315	N1310-E1313 PolarHBondContact ND2-OE2 3Å; E1313-V1315 VanDerWaalsContact C-N 3.31Å; E1313-V1315 PolarHBondContact O-N 3.28Å
1314	N	38.3	Very low	38.9	Very low	129 Å²	129	103.5 Å²	103.5	69%	0.69	54%	0.54	S	S	*	.	H	α-helix	trans	-75.1	-9.1	175	-85.3	-84.2	0	0	0	115	Y1312 E1318	Y1312-N1314 PolarHBondContact O-N 3.4Å; N1314-E1318 WeakPolarHBondContact O-CB 3.44Å; N1314-E1318 VanDerWaalsContact O-CG 3.32Å; N1314-E1318 WeakPolarHBondContact O-CG 3.38Å; N1314-E1318 PolarHBondContact O-N 3.36Å
1315	V	39.5	Very low	37.7	Very low	38 Å²	38	104.3 Å²	104.3	23%	0.23	54%	0.543	C	S	.	.	H	α-helix	trans	-103.4	-31.1	-165.3	-176.9	0	0	0	0	114	Y1312 E1313 D1317 E1318 I1319	Y1312-V1315 HydrophobicContact CD1-CB 3.36Å; Y1312-V1315 HydrophobicContact CD1-CG1 3.49Å; Y1312-V1315 VanDerWaalsContact CD1-CG1 3.49Å; Y1312-V1315 HydrophobicContact CD1-CG2 3.74Å; Y1312-V1315 HydrophobicContact CE1-CB 3.85Å; Y1312-V1315 HydrophobicContact CE1-CG1 3.53Å; Y1312-V1315 HydrophobicContact CE1-CG2 3.97Å; Y1312-V1315 HydrophobicContact CG-CB 3.96Å; Y1312-V1315 HydrophobicContact CG-CG2 4.03Å; Y1312-V1315 PolarHBondContact O-N 3.49Å; E1313-V1315 VanDerWaalsContact C-N 3.31Å; E1313-V1315 PolarHBondContact O-N 3.28Å; V1315-D1317 VanDerWaalsContact C-N 3.32Å; V1315-E1318 PolarHBondContact O-N 3.13Å; V1315-I1319 HydrophobicContact CG1-CD1 4.17Å; V1315-I1319 WeakPolarHBondContact O-CB 3.44Å; V1315-I1319 VanDerWaalsContact O-CG1 3.29Å; V1315-I1319 WeakPolarHBondContact O-CG1 3.37Å; V1315-I1319 PolarHBondContact O-N 3.47Å
1316	N	39	Very low	36.9	Very low	90 Å²	90	103.1 Å²	103.1	48%	0.481	54%	0.537	S	S	.	.	H	α-helix	trans	-65.5	-43.1	162.2	-78.1	-7.3	0	0	0	109.2	E1318 I1319 E1320	N1316-E1318 VanDerWaalsContact C-N 3.32Å; N1316-E1318 PolarHBondContact O-N 3.29Å; N1316-I1319 PolarHBondContact O-N 2.95Å; N1316-E1320 WeakPolarHBondContact O-CB 3.42Å; N1316-E1320 WeakPolarHBondContact O-CG 3.42Å; N1316-E1320 PolarHBondContact O-N 2.86Å
1317	D	38.6	Very low	36.3	Very low	111 Å²	111	103.7 Å²	103.7	59%	0.594	55%	0.546	S	S	*	.	H	α-helix	trans	-59.7	-35.3	170.1	-82.1	16.9	0	0	0	113.2	V1315 S1321	V1315-D1317 VanDerWaalsContact C-N 3.32Å; D1317-S1321 WeakPolarHBondContact O-CA 3.27Å; D1317-S1321 WeakPolarHBondContact O-CB 3.4Å; D1317-S1321 PolarHBondContact O-N 2.9Å; D1317-S1321 PolarHBondContact O-OG 3.42Å
1318	E	36.2	Very low	36	Very low	88 Å²	88	98.7 Å²	98.7	41%	0.411	52%	0.524	S	S	.	.	H	α-helix	trans	-70.7	-37.5	170.1	-86.3	-145.2	120.3	0	0	113.1	N1314 V1315 N1316 K1322	N1314-E1318 WeakPolarHBondContact O-CB 3.44Å; N1314-E1318 VanDerWaalsContact O-CG 3.32Å; N1314-E1318 WeakPolarHBondContact O-CG 3.38Å; N1314-E1318 PolarHBondContact O-N 3.36Å; V1315-E1318 PolarHBondContact O-N 3.13Å; N1316-E1318 VanDerWaalsContact C-N 3.32Å; N1316-E1318 PolarHBondContact O-N 3.29Å; E1318-K1322 HydrophobicContact CB-CD 4.45Å; E1318-K1322 WeakPolarHBondContact O-CA 3.44Å; E1318-K1322 WeakPolarHBondContact O-CB 3.49Å; E1318-K1322 WeakPolarHBondContact O-CD 3.44Å; E1318-K1322 WeakPolarHBondContact O-CG 3.28Å; E1318-K1322 PolarHBondContact O-N 3.21Å; E1318-K1322 WeakPolarHBondContact OE1-CE 3.42Å; E1318-K1322 IonicContact OE1-NZ 3.18Å; E1318-K1322 PolarHBondContact OE1-NZ 3.01Å; E1318-K1322 IonicContact OE2-NZ 2.72Å; E1318-K1322 PolarHBondContact OE2-NZ 3.23Å
1319	I	39.7	Very low	36	Very low	82 Å²	82	101.1 Å²	101.1	42%	0.421	52%	0.517	S	S	.	.	H	α-helix	trans	-73.2	-39.7	-179.4	-71.3	166.9	0	0	0	110.6	V1315 N1316 K1322 R1323	V1315-I1319 HydrophobicContact CG1-CD1 4.17Å; V1315-I1319 WeakPolarHBondContact O-CB 3.44Å; V1315-I1319 VanDerWaalsContact O-CG1 3.29Å; V1315-I1319 WeakPolarHBondContact O-CG1 3.37Å; V1315-I1319 PolarHBondContact O-N 3.47Å; N1316-I1319 PolarHBondContact O-N 2.95Å; I1319-K1322 CarbonylContact O-C 3.16Å; I1319-K1322 PolarHBondContact O-N 2.83Å; I1319-R1323 WeakPolarHBondContact O-CB 3.12Å; I1319-R1323 WeakPolarHBondContact O-CG 3.45Å; I1319-R1323 PolarHBondContact O-N 3.06Å
1320	E	38.3	Very low	35.8	Very low	94 Å²	94	102.2 Å²	102.2	44%	0.439	52%	0.52	S	S	.	.	H	α-helix	trans	-79.2	-33.7	177.1	-60.3	-152.1	141.6	0	0	111.8	N1316 R1323 S1324	N1316-E1320 WeakPolarHBondContact O-CB 3.42Å; N1316-E1320 WeakPolarHBondContact O-CG 3.42Å; N1316-E1320 PolarHBondContact O-N 2.86Å; E1320-R1323 PolarHBondContact O-N 3.16Å; E1320-S1324 VanDerWaalsContact O-CB 3.28Å; E1320-S1324 WeakPolarHBondContact O-CB 3.5Å; E1320-S1324 PolarHBondContact O-N 2.78Å; E1320-S1324 PolarHBondContact O-OG 2.92Å
1321	S	36.7	Very low	36	Very low	23 Å²	23	105.4 Å²	105.4	16%	0.161	52%	0.524	C	S	.	.	H	α-helix	trans	-72.4	-26.6	166.4	72.4	0	0	0	0	113.3	D1317 R1323 S1324 R1325	D1317-S1321 WeakPolarHBondContact O-CA 3.27Å; D1317-S1321 WeakPolarHBondContact O-CB 3.4Å; D1317-S1321 PolarHBondContact O-N 2.9Å; D1317-S1321 PolarHBondContact O-OG 3.42Å; S1321-R1323 VanDerWaalsContact C-N 3.34Å; S1321-S1324 WeakPolarHBondContact CA-OG 3.21Å; S1321-R1325 WeakPolarHBondContact O-CA 3.39Å; S1321-R1325 WeakPolarHBondContact O-CB 3.41Å; S1321-R1325 WeakPolarHBondContact O-CD 3.32Å; S1321-R1325 WeakPolarHBondContact O-CG 3.15Å; S1321-R1325 PolarHBondContact O-N 2.89Å
1322	K	38.9	Very low	36	Very low	101 Å²	101	109.4 Å²	109.4	44%	0.439	53%	0.534	S	S	.	.	H	α-helix	trans	-78.7	-16.5	169.4	-71	163.1	-167.8	173.6	0	112.5	E1318 I1319 N1326	E1318-K1322 HydrophobicContact CB-CD 4.45Å; E1318-K1322 WeakPolarHBondContact O-CA 3.44Å; E1318-K1322 WeakPolarHBondContact O-CB 3.49Å; E1318-K1322 WeakPolarHBondContact O-CD 3.44Å; E1318-K1322 WeakPolarHBondContact O-CG 3.28Å; E1318-K1322 PolarHBondContact O-N 3.21Å; E1318-K1322 WeakPolarHBondContact OE1-CE 3.42Å; E1318-K1322 IonicContact OE1-NZ 3.18Å; E1318-K1322 PolarHBondContact OE1-NZ 3.01Å; E1318-K1322 IonicContact OE2-NZ 2.72Å; E1318-K1322 PolarHBondContact OE2-NZ 3.23Å; I1319-K1322 CarbonylContact O-C 3.16Å; I1319-K1322 PolarHBondContact O-N 2.83Å; K1322-N1326 PolarHBondContact O-ND2 3.41Å
1323	R	37.9	Very low	36.1	Very low	162 Å²	162	106.6 Å²	106.6	61%	0.611	54%	0.538	S	S	*	.	H	α-helix	trans	-83	-52.5	165.4	-77.6	172.9	171.9	172	-1.3	110.8	I1319 E1320 S1321 N1326 S1327	I1319-R1323 WeakPolarHBondContact O-CB 3.12Å; I1319-R1323 WeakPolarHBondContact O-CG 3.45Å; I1319-R1323 PolarHBondContact O-N 3.06Å; E1320-R1323 PolarHBondContact O-N 3.16Å; S1321-R1323 VanDerWaalsContact C-N 3.34Å; R1323-N1326 CarbonylContact O-C 3.6Å; R1323-N1326 WeakPolarHBondContact O-CA 3.46Å; R1323-N1326 PolarHBondContact O-N 3.48Å; R1323-S1327 PolarHBondContact O-N 2.91Å
1324	S	37	Very low	35.9	Very low	59 Å²	59	107.9 Å²	107.9	41%	0.413	55%	0.547	S	S	.	.	H	α-helix	trans	-67.3	-38.3	-177.3	76.2	0	0	0	0	112.9	E1320 S1321 N1326 S1327 S1328	E1320-S1324 VanDerWaalsContact O-CB 3.28Å; E1320-S1324 WeakPolarHBondContact O-CB 3.5Å; E1320-S1324 PolarHBondContact O-N 2.78Å; E1320-S1324 PolarHBondContact O-OG 2.92Å; S1321-S1324 WeakPolarHBondContact CA-OG 3.21Å; S1324-N1326 PolarHBondContact O-N 2.86Å; S1324-S1327 WeakPolarHBondContact CA-OG 3.31Å; S1324-S1327 PolarHBondContact O-N 3.02Å; S1324-S1327 VanDerWaalsContact O-N 3.16Å; S1324-S1327 PolarHBondContact O-OG 2.78Å; S1324-S1327 VanDerWaalsContact O-OG 3.11Å; S1324-S1328 WeakPolarHBondContact O-CB 3.44Å; S1324-S1328 PolarHBondContact O-N 3.32Å; S1324-S1328 PolarHBondContact O-OG 2.97Å
1325	R	34.4	Very low	35.5	Very low	151 Å²	151	109.6 Å²	109.6	57%	0.57	55%	0.551	S	S	*	*	H	α-helix	trans	-66.2	-25.7	170.4	-66.5	168.3	-179.9	155.6	1.2	112.3	S1321 S1328 L1329	S1321-R1325 WeakPolarHBondContact O-CA 3.39Å; S1321-R1325 WeakPolarHBondContact O-CB 3.41Å; S1321-R1325 WeakPolarHBondContact O-CD 3.32Å; S1321-R1325 WeakPolarHBondContact O-CG 3.15Å; S1321-R1325 PolarHBondContact O-N 2.89Å; R1325-S1328 WeakPolarHBondContact CA-OG 3.36Å; R1325-L1329 HydrophobicContact CB-CD1 4.49Å; R1325-L1329 WeakPolarHBondContact O-CB 3.2Å; R1325-L1329 VanDerWaalsContact O-CD1 3.31Å; R1325-L1329 WeakPolarHBondContact O-CD1 3.27Å; R1325-L1329 WeakPolarHBondContact O-CG 3.46Å; R1325-L1329 PolarHBondContact O-N 3.46Å
1326	N	35.2	Very low	35.1	Very low	117 Å²	117	113.4 Å²	113.4	63%	0.626	58%	0.579	S	S	*	*	H	α-helix	trans	-82.9	-15.5	173	-84.3	-58.9	0	0	0	113.7	K1322 R1323 S1324	K1322-N1326 PolarHBondContact O-ND2 3.41Å; R1323-N1326 CarbonylContact O-C 3.6Å; R1323-N1326 WeakPolarHBondContact O-CA 3.46Å; R1323-N1326 PolarHBondContact O-N 3.48Å; S1324-N1326 PolarHBondContact O-N 2.86Å
1327	S	34.7	Very low	34.6	Very low	80 Å²	80	114.3 Å²	114.3	56%	0.559	59%	0.593	S	S	*	*	H	α-helix	trans	-96.9	-33.5	171.2	59.8	0	0	0	0	113.8	R1323 S1324	R1323-S1327 PolarHBondContact O-N 2.91Å; S1324-S1327 WeakPolarHBondContact CA-OG 3.31Å; S1324-S1327 PolarHBondContact O-N 3.02Å; S1324-S1327 VanDerWaalsContact O-N 3.16Å; S1324-S1327 PolarHBondContact O-OG 2.78Å; S1324-S1327 VanDerWaalsContact O-OG 3.11Å
1328	S	33.9	Very low	34.2	Very low	55 Å²	55	114.6 Å²	114.6	39%	0.385	59%	0.594	S	S	.	*	H	α-helix	trans	-79.4	-34.9	179.7	52.6	0	0	0	0	113.9	S1324 R1325 N1330 Y1331	S1324-S1328 WeakPolarHBondContact O-CB 3.44Å; S1324-S1328 PolarHBondContact O-N 3.32Å; S1324-S1328 PolarHBondContact O-OG 2.97Å; R1325-S1328 WeakPolarHBondContact CA-OG 3.36Å; S1328-N1330 PolarHBondContact O-N 3.24Å; S1328-Y1331 PolarHBondContact O-N 3Å; S1328-Y1331 VanDerWaalsContact O-N 3.13Å
1329	L	33.1	Very low	34.1	Very low	130 Å²	130	115.9 Å²	115.9	68%	0.681	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	19.6	175.2	-68.6	174.9	0	0	0	114.5	R1325	R1325-L1329 HydrophobicContact CB-CD1 4.49Å; R1325-L1329 WeakPolarHBondContact O-CB 3.2Å; R1325-L1329 VanDerWaalsContact O-CD1 3.31Å; R1325-L1329 WeakPolarHBondContact O-CD1 3.27Å; R1325-L1329 WeakPolarHBondContact O-CG 3.46Å; R1325-L1329 PolarHBondContact O-N 3.46Å
1330	N	33.2	Very low	33.8	Very low	133 Å²	133	117.7 Å²	117.7	71%	0.711	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.4	7.7	172	-74.4	-68.8	0	0	0	114.1	S1328	S1328-N1330 PolarHBondContact O-N 3.24Å
1331	Y	32.3	Very low	33.6	Very low	192 Å²	192	119 Å²	119	75%	0.753	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.4	-17.8	177.7	-113.2	-86.1	0	0	0	115.6	S1328	S1328-Y1331 PolarHBondContact O-N 3Å; S1328-Y1331 VanDerWaalsContact O-N 3.13Å
1332	E	30.7	Very low	33.4	Very low	168 Å²	168	124.6 Å²	124.6	79%	0.785	65%	0.65	S	S	*	*	S	Bend	trans	-122.5	96.6	177.5	-65.2	178.3	153.4	0	0	110.1
1333	S	33.2	Very low	33	Very low	101 Å²	101	126.1 Å²	126.1	71%	0.706	66%	0.663	S	S	*	*	S	Bend	trans	171.4	6.6	164.8	37.5	0	0	0	0	116.2
1334	I	32.2	Very low	32.7	Very low	161 Å²	161	123.7 Å²	123.7	83%	0.826	67%	0.666	S	S	*	*	S	Bend	trans	-127.6	42.5	175.5	-36.9	-177.3	0	0	0	112.3
1335	E	30.8	Very low	32.4	Very low	166 Å²	166	128.4 Å²	128.4	78%	0.776	69%	0.685	S	S	*	*	S	Bend	trans	-127.3	157.5	149.8	-64.7	-160.7	136.5	0	0	107.9
1336	S	31.5	Very low	32.3	Very low	117 Å²	117	126.6 Å²	126.6	82%	0.818	69%	0.693	S	S	*	*	S	Bend	trans	72.2	36.6	-175.1	73.8	0	0	0	0	118.9
1337	S	29.3	Very low	32	Very low	110 Å²	110	127.4 Å²	127.4	77%	0.769	70%	0.699	S	S	*	*			trans	-151.6	29.5	148.6	87.9	0	0	0	0	116
1338	N	29.3	Very low	31.8	Very low	116 Å²	116	131.7 Å²	131.7	62%	0.62	71%	0.712	S	S	*	*			trans	178.4	0	155.7	-86.5	-25.8	0	0	0	109.5	P479 A480 K481	P479-N1338 VanDerWaalsContact CB-OD1 3.31Å; P479-N1338 WeakPolarHBondContact CB-OD1 3.04Å; P479-N1338 WeakPolarHBondContact CG-OD1 3.37Å; A480-N1338 VanDerWaalsContact N-CG 3.34Å; A480-N1338 PolarHBondContact N-ND2 2.77Å; A480-N1338 VanDerWaalsContact N-ND2 3.19Å; A480-N1338 VanDerWaalsContact O-CB 3.31Å; A480-N1338 WeakPolarHBondContact O-CB 3.4Å; A480-N1338 PolarHBondContact O-ND2 2.88Å; K481-N1338 WeakPolarHBondContact CE-O 3.12Å; K481-N1338 PolarHBondContact NZ-O 2.94Å

Retrieved 1,338 of 1,338 residues in 294.6 ms (Link to these results)

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