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Isoform p of Serine/threonine-protein kinase WNK AlphaSync

Canonical isoform description: Serine/threonine-protein kinase component of the WNK3-SPAK/OSR1 kinase cascade, which plays an important role in the regulation of electrolyte homeostasis and regulatory volume increase in response to hyperosmotic stress¹. Wnk-1 mediates regulatory volume increase in response to hyperosmotic stress by acting as a molecular crowding sensor, which senses cell shrinkage and mediates formation of a membraneless compartment by undergoing liquid-liquid phase separation². The membraneless compartment concentrates wnk-1 with its substrates (By similarity). Phosphorylates gck-3³. Plays a role in osmotic stress responses during which it increases gpdh-1 translation, likely by phosphorylating gck-3⁴. Essential for larval development and the tubular formation of the excretory canals⁵.

AlphaFold DB , UniProt , Accession X5M5N0-16 (canonical: X5M5N0), Species CAEEL (Caenorhabditis elegans), Gene wnk-1, Length 1,847 aa.

						>WNK_CAEEL|X5M5N0-16|wnk-1
MPDSITNGGRPPAPPSSVSSTTASTTGNFGTRRRLVNRIKKVDELHPAQENPTMGSHWLSEQERSRLEAVQQDWRRTRPMKFQWTSKKRPDDPTTSSPSTVSISNALENSTPSLNNVSSITNSSSPFSLSSAATSTASAIIPFTSNVATNHPHLNHHVSRIPQAIVTGGTNGSLPPLLISPTSAAAATPLISGKAGPMSPSTGSPINVAATVLQNAVSSPQHSIFDRSRLNKIPPNTSLASSSSPSDAANNDKPIQQRHSILSNVRTLTQAMVNDGPRTLTGDDMDKMVSEEERARKEQEKREEEEKAARRIDVEDDFDAQEKPIDKSKNGRFLKFDEELGRGSFKTVFRGLDTETGVAVAWCELQESKLNKTERQRFREEAEMLKDLQHPNIVRFYDYWESADLCGKRKYIVLVTELMTSGTLKMYLKRFKRINIKVLKSWCRQILKGLSFLHTRNPPVIHRDLKCDNIFITGTTGSVKIGDLGLATLKNKSFAKSVIGTPEFMAPEMYEEMYDESVDVYAFGMCLLEMVTGEYPYSECMNPATIYRKVISGVKPECFSRIPAQYPEIREIIDRCIRVRREERSTVKQLLVDDFFTPEDLIGIRVEIKNRDADLNDLNVEIQMQLRVYDEKKRKQYRFKENEGLQFAFDIENDSPDEVVQQMIEQQHIPDEDTRMITKLIKDKVDAFRRDRDHRLLEIKRAKEEEERIREEAEIKEELRLRAEAKEKEKERLEKERLEKKAAAAAAANPNPTPIPPTPATPHSSAQQQPIPPPLSTQTSAEIQQSAQQPSVPVTMIANIPAMSPTSAQPQPVLSPTSAAVPVPTTMIHVPKPSEIPVQNVATTAAPVAANNVPPSPAPFKTEDIQTPTLAQNTVPRTISTDASGLVINTPASIASPSPAPSATDVASTTAPVTPAPTPTTTTDGGAAAASTTTENKEEKRKSNKRKVVMEILGCDESRNFALVSCRLDTSHKSVTFQFAPGTDKPCTIATKLLAEDCLLKVHVHIVEAQLGEVIQLINSDGKKGVGTKLATVLDPNSTEPPTITAVMPKDSSAATASNTKPKIEIEKTPPTRDASQEPNNVQVTNVRKVSQESNAESVQSIPRPGGIIVMSPTNQTDSAPPPTGAAAKPSRFQVTKSADPIATPISSSISTATVIPIVAATPTNITSEPVIVQPITAQVITHLATPSPVSHSLSSNSSPSATTHSNMSSIQSTTSVPGRRFTVQPVSQAESGISSSISTPHPEPTPAITSCPPPVPSVPPVVSNGTLNLEVAPKQTPSATNQNVDTQHSSSTASTATLVSETPATVHVTPISVPAPVQEPLVIDHHSDVLTQLDSELRKVSGVSHSASPSTVVESLTSMTPQTIPLACQTVPASIGQAPAVIAAAHAASLIPNASVPQSPSRLDAETGLAGLHEKLEALKMEQDRREDMGDDAIGTTTTDGKDEIPIDTLKGLAEALGKVIHADGRETTPMPPDHPDLTDASTQQLISPSNPDVLTTMSSAVEGSASSTMIEDIDASTSAVDASMMNSMPPGAQNSTDQIPAAMTLSMDQECAQSMTSSITRNTTGTKLATFENLETALSSTLGTHIRQPNAPSSRDETTAPMTPSFTNERIGGGGGGGATSFSIGTPPSHSPFPVSECDYDLKGQMDLESEDPEVIQMIVRHRMEQHKLLEKQRVEIERLRSKIRVPRATSVNPEMIGDDEADTTLTALQSALGNASLSLPASPPPNTEIPDNEGQHHCNSFRCIGDPNDNVSIVNQIKQRLGIIPSSRQSVRSATSSSPSTPPSSSSAPPKSLSSPTKSYVSHCSLSIGYGSTASSEQQQREPSPSATTSSFLSDPATGVIENV
					

Structure Viewer

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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	34	Very low	36.1	Very low	213 Å²	213	129.1 Å²	129.1	100%	1.049	76%	0.755	S	S	*	*				0	93.7	0	-70.9	-168.1	177.6	0	0	111.7	D3	M1-D3 WeakPolarHBondContact CA-OD1 3.34Å; M1-D3 PolarHBondContact N-OD1 3.03Å
2	P	48.2	Very low	35.9	Very low	124 Å²	124	128.9 Å²	128.9	81%	0.805	76%	0.761	S	S	*	*			cis	-122.3	145.9	-20.2	37.2	-24.6	0	0	0	113
3	D	39.7	Very low	35.5	Very low	119 Å²	119	124.5 Å²	124.5	64%	0.636	75%	0.748	S	S	*	*			cis	-152	132.9	-26.7	-96.4	-36.8	0	0	0	106.9	M1	M1-D3 WeakPolarHBondContact CA-OD1 3.34Å; M1-D3 PolarHBondContact N-OD1 3.03Å
4	S	32.1	Very low	36.8	Very low	86 Å²	86	124.2 Å²	124.2	60%	0.601	75%	0.75	S	S	*	*				73.4	125.6	77.3	-51.9	0	0	0	0	112.8
5	I	33.3	Very low	36.9	Very low	143 Å²	143	123.5 Å²	123.5	73%	0.733	75%	0.75	S	S	*	*			cis	-166.3	143.3	-8.4	-130.7	158.5	0	0	0	110.3
6	T	34.3	Very low	36.5	Very low	111 Å²	111	121.6 Å²	121.6	68%	0.681	74%	0.743	S	S	*	*			trans	52.8	142.3	159.7	60.1	0	0	0	0	120.7
7	N	34.9	Very low	36.2	Very low	150 Å²	150	120.3 Å²	120.3	80%	0.802	74%	0.74	S	S	*	*			cis	-149.4	162	-4.8	-83.3	-29.4	0	0	0	106.7
8	G	30.4	Very low	35.9	Very low	77 Å²	77	120.2 Å²	120.2	79%	0.794	74%	0.739	S	S	*	*			cis	106.2	118.8	14.3	0	0	0	0	0	111
9	G	30.4	Very low	35.6	Very low	72 Å²	72	119.5 Å²	119.5	74%	0.742	74%	0.739	S	S	*	*			cis	-132.1	-179.2	-4.8	0	0	0	0	0	111.6
10	R	30.8	Very low	35.4	Very low	238 Å²	238	118.5 Å²	118.5	90%	0.898	74%	0.737	S	S	*	*			cis	71.8	151.4	37.1	-107.7	-141.8	154.8	-142.6	-2.6	114
11	P	49.3	Very low	35.3	Very low	87 Å²	87	117.9 Å²	117.9	57%	0.565	73%	0.733	S	S	*	*				-125.7	-141.9	-124.6	34.4	-11.8	0	0	0	112
12	P	33.6	Very low	35.1	Very low	127 Å²	127	113.6 Å²	113.6	83%	0.825	72%	0.719	S	S	*	*				-133.1	147	101.3	37.3	-29.5	0	0	0	115.3
13	A	30.1	Very low	34.3	Very low	71 Å²	71	112.3 Å²	112.3	59%	0.587	72%	0.719	S	S	*	*			trans	-91.2	164.5	158.6	0	0	0	0	0	108.6
14	P	54.5	Low	34	Very low	121 Å²	121	111.5 Å²	111.5	79%	0.786	72%	0.722	S	S	*	*			trans	-68.9	171	178.8	32.7	-38.3	0	0	0	111.6
15	P	37.8	Very low	33.9	Very low	114 Å²	114	113.1 Å²	113.1	74%	0.74	73%	0.729	S	S	*	*				-150.6	-176.8	109.1	35.2	-16.4	0	0	0	115.1
16	S	30	Very low	33.8	Very low	92 Å²	92	113.1 Å²	113.1	64%	0.643	74%	0.736	S	S	*	*			trans	60.1	112.1	147	52.8	0	0	0	0	118.6
17	S	32.3	Very low	33.6	Very low	100 Å²	100	111.7 Å²	111.7	70%	0.699	74%	0.744	S	S	*	*				71.4	163.6	69	79.7	0	0	0	0	112.9
18	V	31	Very low	33.3	Very low	119 Å²	119	111.4 Å²	111.4	72%	0.721	74%	0.742	S	S	*	*			cis	-157.7	169.7	31.7	-127.3	0	0	0	0	110.8
19	S	30.4	Very low	33.3	Very low	106 Å²	106	117.1 Å²	117.1	74%	0.741	75%	0.745	S	S	*	*			trans	63.8	148.6	149.8	55.2	0	0	0	0	118.9
20	S	31.3	Very low	33.3	Very low	99 Å²	99	116.5 Å²	116.5	69%	0.692	74%	0.739	S	S	*	*			cis	-161.9	-170.1	-12.5	49.6	0	0	0	0	107.1
21	T	32	Very low	33.3	Very low	107 Å²	107	111.6 Å²	111.6	66%	0.656	74%	0.736	S	S	*	*			cis	-167.1	134.3	27.3	-23.6	0	0	0	0	111
22	T	31.2	Very low	32.4	Very low	123 Å²	123	118.6 Å²	118.6	76%	0.755	75%	0.751	S	S	*	*			trans	44.9	138.8	144.1	57.3	0	0	0	0	124.7
23	A	31.5	Very low	32.2	Very low	97 Å²	97	124 Å²	124	80%	0.802	76%	0.755	S	S	*	*			trans	69.8	154.6	140.5	0	0	0	0	0	118.5
24	S	32.7	Very low	32.3	Very low	101 Å²	101	131.2 Å²	131.2	71%	0.706	77%	0.767	S	S	*	*			cis	-152.9	135.4	-2.6	32.7	0	0	0	0	109
25	T	30.4	Very low	31.1	Very low	121 Å²	121	132.5 Å²	132.5	74%	0.742	77%	0.766	S	S	*	*				78	114.4	86.4	-43.4	0	0	0	0	116
26	T	30.6	Very low	30.9	Very low	142 Å²	142	132.4 Å²	132.4	87%	0.871	76%	0.763	S	S	*	*			trans	61.5	132.8	159.3	52.8	0	0	0	0	121.8
27	G	30	Very low	30.8	Very low	82 Å²	82	134.5 Å²	134.5	85%	0.845	77%	0.767	S	S	*	*			trans	-178.5	102.1	162.4	0	0	0	0	0	111.1
28	N	29	Very low	30.9	Very low	144 Å²	144	141 Å²	141	77%	0.77	78%	0.777	S	S	*	*			trans	-113.2	169.7	-178.8	-162.4	7.9	0	0	0	110.7
29	F	31	Very low	31	Very low	196 Å²	196	141.9 Å²	141.9	86%	0.86	78%	0.776	S	S	*	*			trans	69.6	148.6	-174	-52.8	-91.2	0	0	0	115.3
30	G	29.8	Very low	30.9	Very low	60 Å²	60	146.4 Å²	146.4	62%	0.619	78%	0.782	S	S	*	*			cis	162.7	129.6	-13.6	0	0	0	0	0	115.9
31	T	30.4	Very low	30.8	Very low	134 Å²	134	149.7 Å²	149.7	82%	0.822	78%	0.784	S	S	*	*			trans	70.2	139.8	153.9	8.2	0	0	0	0	122.6
32	R	31.7	Very low	30.8	Very low	234 Å²	234	151.4 Å²	151.4	88%	0.883	79%	0.794	S	S	*	*			trans	81.7	102.6	152.7	-65.9	-178.1	-178.6	-151.8	-0.2	121.7
33	R	29.2	Very low	30.7	Very low	240 Å²	240	150.7 Å²	150.7	91%	0.906	79%	0.785	S	S	*	*			trans	15.4	127.8	130.7	-62.2	175.8	172.5	174.3	-3.9	119.1
34	R	32.1	Very low	30.5	Very low	224 Å²	224	154.7 Å²	154.7	85%	0.845	79%	0.788	S	S	*	*				174.6	144.8	104.3	-100.6	-176.9	170.2	168.1	-2.3	114.5
35	L	29.2	Very low	30.3	Very low	148 Å²	148	157.6 Å²	157.6	78%	0.775	79%	0.794	S	S	*	*			trans	62.2	154.9	152.9	-86.7	54.7	0	0	0	119.1
36	V	32.2	Very low	30.2	Very low	112 Å²	112	159.8 Å²	159.8	68%	0.679	80%	0.796	S	S	*	*			cis	-167.2	149	-34.6	111.2	0	0	0	0	111.6
37	N	28.2	Very low	30.4	Very low	136 Å²	136	158.9 Å²	158.9	73%	0.727	79%	0.793	S	S	*	*			trans	30.6	125.5	158.9	-53.4	-11.8	0	0	0	122.8
38	R	34.9	Very low	30.4	Very low	236 Å²	236	160.1 Å²	160.1	89%	0.891	79%	0.794	S	S	*	*				-159.2	111.5	112.3	-107.4	173.7	175.1	168.6	-0.2	110.6
39	I	33.4	Very low	30.3	Very low	138 Å²	138	161 Å²	161	71%	0.708	79%	0.794	S	S	*	*				77.3	99	92.7	-66.8	178.9	0	0	0	115
40	K	28.8	Very low	30.2	Very low	200 Å²	200	161 Å²	161	87%	0.87	80%	0.797	S	S	*	*			trans	28.4	138.3	135.3	-58.5	178.5	177.7	173	0	122.2
41	K	28.6	Very low	30.2	Very low	169 Å²	169	164.4 Å²	164.4	74%	0.735	80%	0.801	S	S	*	*			trans	102	118.4	132.7	-155.1	-178.6	-163.7	-75.1	0	118.1	D43	K41-D43 IonicContact NZ-OD2 3.15Å; K41-D43 PolarHBondContact NZ-OD2 2.94Å
42	V	32.6	Very low	30.8	Very low	142 Å²	142	162.9 Å²	162.9	86%	0.861	79%	0.793	S	S	*	*			trans	-153.5	156.7	133.7	137.3	0	0	0	0	106.9
43	D	28.7	Very low	30.7	Very low	108 Å²	108	157.9 Å²	157.9	58%	0.578	79%	0.789	S	S	*	*			trans	-97.8	173.9	-175.4	-63.8	-86.6	0	0	0	111.8	K41	K41-D43 IonicContact NZ-OD2 3.15Å; K41-D43 PolarHBondContact NZ-OD2 2.94Å
44	E	27	Very low	30.7	Very low	182 Å²	182	155.5 Å²	155.5	85%	0.85	79%	0.79	S	S	*	*			trans	51.8	123.6	160.2	-65.8	176	158.7	0	0	120.9
45	L	29.5	Very low	30.5	Very low	161 Å²	161	148.6 Å²	148.6	84%	0.843	79%	0.788	S	S	*	*				-173.9	167.7	109.3	-97.9	169.9	0	0	0	113
46	H	27.7	Very low	30.6	Very low	167 Å²	167	146.6 Å²	146.6	77%	0.773	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-63.2	150.4	-171	-73.6	-136.1	0	0	0	115.6
47	P	34.6	Very low	30.8	Very low	124 Å²	124	146.3 Å²	146.3	81%	0.805	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-72.8	137.3	144.5	33.2	-30.7	0	0	0	110
48	A	30.9	Very low	31.6	Very low	107 Å²	107	147.9 Å²	147.9	88%	0.884	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-79.9	169.6	-175.8	0	0	0	0	0	113.7
49	Q	25.7	Very low	32.2	Very low	163 Å²	163	138.8 Å²	138.8	76%	0.762	74%	0.742	S	S	*	*			trans	-104.3	124.9	-173.1	172.7	-172.6	-1.2	0	0	110.9
50	E	29.9	Very low	33.5	Very low	196 Å²	196	134.8 Å²	134.8	92%	0.916	73%	0.727	S	S	*	*			trans	-125.1	155.6	158.4	-71.7	-164.6	157.3	0	0	109.9
51	N	29.5	Very low	34.5	Very low	131 Å²	131	133.1 Å²	133.1	70%	0.701	72%	0.722	S	S	*	*			trans	-144.8	-177.2	-158.7	-141.4	4.2	0	0	0	110.6
52	P	43.2	Very low	35.8	Very low	103 Å²	103	132 Å²	132	67%	0.669	72%	0.72	S	S	*	*				-119.6	-175.9	-112.6	39.8	-23.6	0	0	0	113.4
53	T	29.6	Very low	36.9	Very low	128 Å²	128	127.6 Å²	127.6	79%	0.785	69%	0.69	S	S	*	*			trans	-149.8	132.6	163.6	-21.2	0	0	0	0	113.4
54	M	29.1	Very low	38.6	Very low	191 Å²	191	129 Å²	129	94%	0.941	69%	0.687	S	S	*	*			trans	56.5	145.5	168.7	-54.8	-155.3	-175.2	0	0	119.7
55	G	28.1	Very low	40.4	Very low	78 Å²	78	123.8 Å²	123.8	80%	0.804	67%	0.67	S	S	*	*			trans	156.8	-82.2	149.2	0	0	0	0	0	116.5
56	S	31.3	Very low	42.4	Very low	106 Å²	106	124.9 Å²	124.9	74%	0.741	66%	0.663	S	S	*	*			trans	-166.3	117	-166.2	55.4	0	0	0	0	113.3
57	H	34.8	Very low	44.2	Very low	107 Å²	107	118.8 Å²	118.8	50%	0.495	64%	0.636	S	S	.	*			trans	-147.9	72	168.8	-152.8	-67.2	0	0	0	112.2	L59 R64	H57-L59 PolarHBondContact CE1-O 3.23Å; H57-L59 PolarHBondContact ND1-O 3.05Å; H57-L59 PolarHBondContact O-N 3.02Å; H57-R64 PolarHBondContact CD2-NH1 3.42Å; H57-R64 WeakPolarHBondContact NE2-CD 3.1Å; H57-R64 PolarHBondContact NE2-NH1 2.79Å
58	W	45.9	Very low	45.9	Very low	169 Å²	169	117.9 Å²	117.9	64%	0.64	62%	0.621	S	S	*	*			trans	-92.1	18.7	-175.9	-85.3	92.6	0	0	0	115	D600	W58-D600 HydrophobicContact CH2-CB 3.85Å; W58-D600 WeakPolarHBondContact CH2-OD1 3.33Å; W58-D600 HydrophobicContact CZ2-CB 4.13Å
59	L	46.9	Very low	47.8	Very low	44 Å²	44	115.3 Å²	115.3	23%	0.23	60%	0.6	C	S	.	*	S	Bend	trans	-128.1	136.4	176.2	-71.2	161.6	0	0	0	107.7	H57 E63 R64 L67	H57-L59 PolarHBondContact CE1-O 3.23Å; H57-L59 PolarHBondContact ND1-O 3.05Å; H57-L59 PolarHBondContact O-N 3.02Å; L59-E63 HydrophobicContact CB-CB 4.31Å; L59-E63 HydrophobicContact CD2-CB 3.95Å; L59-R64 HydrophobicContact CB-CB 4.31Å; L59-L67 HydrophobicContact CD1-CD2 4.39Å
60	S	62.2	Low	49.6	Very low	55 Å²	55	109.2 Å²	109.2	39%	0.385	57%	0.574	S	S	.	*			trans	-62	157	167.5	61.7	0	0	0	0	110.4	Q62 E63 R64	S60-Q62 PolarHBondContact O-N 3.41Å; S60-E63 WeakPolarHBondContact CB-OE2 3.27Å; S60-E63 PolarHBondContact N-OE2 2.83Å; S60-E63 PolarHBondContact O-N 2.76Å; S60-E63 WeakPolarHBondContact OG-CB 3.29Å; S60-E63 VanDerWaalsContact OG-CD 3.32Å; S60-E63 VanDerWaalsContact OG-CG 3.25Å; S60-E63 WeakPolarHBondContact OG-CG 3.42Å; S60-E63 PolarHBondContact OG-N 2.84Å; S60-E63 PolarHBondContact OG-OE2 3.48Å; S60-R64 WeakPolarHBondContact O-CB 3.36Å; S60-R64 PolarHBondContact O-N 3.06Å
61	E	49.2	Very low	51.3	Low	164 Å²	164	102.2 Å²	102.2	77%	0.766	54%	0.541	S	S	*	.	H	α-helix	trans	-56.2	-35	174.6	-69	-169.6	127.1	0	0	111.7	E63 R64 S65	E61-E63 VanDerWaalsContact C-N 3.35Å; E61-E63 PolarHBondContact O-N 2.9Å; E61-R64 PolarHBondContact O-N 2.92Å; E61-S65 WeakPolarHBondContact O-CB 3.42Å; E61-S65 PolarHBondContact O-N 2.96Å
62	Q	54.5	Low	52.8	Low	147 Å²	147	99.7 Å²	99.7	69%	0.687	53%	0.525	S	S	*	.	H	α-helix	trans	-62.1	-38.8	174.6	-152.5	76.1	25.9	0	0	112.7	S60 R66	S60-Q62 PolarHBondContact O-N 3.41Å; Q62-R66 WeakPolarHBondContact O-CB 3.3Å; Q62-R66 WeakPolarHBondContact O-CG 3.45Å; Q62-R66 PolarHBondContact O-N 2.9Å
63	E	57.3	Low	53.9	Low	49 Å²	49	98.7 Å²	98.7	23%	0.229	51%	0.514	C	S	.	.	H	α-helix	trans	-80.1	-35.8	178	-71.3	165.6	122.2	0	0	112.4	L59 S60 E61 R66 L67 N435	L59-E63 HydrophobicContact CB-CB 4.31Å; L59-E63 HydrophobicContact CD2-CB 3.95Å; S60-E63 WeakPolarHBondContact CB-OE2 3.27Å; S60-E63 PolarHBondContact N-OE2 2.83Å; S60-E63 PolarHBondContact O-N 2.76Å; S60-E63 WeakPolarHBondContact OG-CB 3.29Å; S60-E63 VanDerWaalsContact OG-CD 3.32Å; S60-E63 VanDerWaalsContact OG-CG 3.25Å; S60-E63 WeakPolarHBondContact OG-CG 3.42Å; S60-E63 PolarHBondContact OG-N 2.84Å; S60-E63 PolarHBondContact OG-OE2 3.48Å; E61-E63 VanDerWaalsContact C-N 3.35Å; E61-E63 PolarHBondContact O-N 2.9Å; E63-R66 PolarHBondContact O-N 3.33Å; E63-L67 WeakPolarHBondContact O-CB 3.46Å; E63-L67 PolarHBondContact O-N 2.95Å; E63-N435 PolarHBondContact OE1-ND2 3.21Å
64	R	63.9	Low	54.8	Low	138 Å²	138	97.5 Å²	97.5	52%	0.521	50%	0.495	S	S	.	.	H	α-helix	trans	-65.9	-44.9	174.2	-153.2	176.2	-165.4	-158.7	-0.5	110.2	H57 L59 S60 E61 R66 L67 E68	H57-R64 PolarHBondContact CD2-NH1 3.42Å; H57-R64 WeakPolarHBondContact NE2-CD 3.1Å; H57-R64 PolarHBondContact NE2-NH1 2.79Å; L59-R64 HydrophobicContact CB-CB 4.31Å; S60-R64 WeakPolarHBondContact O-CB 3.36Å; S60-R64 PolarHBondContact O-N 3.06Å; E61-R64 PolarHBondContact O-N 2.92Å; R64-R66 VanDerWaalsContact C-N 3.34Å; R64-R66 PolarHBondContact O-N 2.85Å; R64-L67 PolarHBondContact O-N 3.5Å; R64-E68 VanDerWaalsContact O-CB 3.25Å; R64-E68 WeakPolarHBondContact O-CB 3.2Å; R64-E68 PolarHBondContact O-N 3.08Å
65	S	65.8	Low	56	Low	71 Å²	71	95.9 Å²	95.9	50%	0.497	48%	0.479	S	S	.	.	H	α-helix	trans	-63.1	-35.3	171.6	-176.9	0	0	0	0	112.3	E61 A69	E61-S65 WeakPolarHBondContact O-CB 3.42Å; E61-S65 PolarHBondContact O-N 2.96Å; S65-A69 WeakPolarHBondContact O-CB 3.3Å; S65-A69 PolarHBondContact O-N 3.11Å
66	R	70.9	Confident	56.8	Low	184 Å²	184	101.2 Å²	101.2	69%	0.694	48%	0.475	S	S	*	.	H	α-helix	trans	-66.3	-46.5	170.3	-87	176.1	152	-175.8	-6.2	112.6	Q62 E63 R64 E68 A69 V70	Q62-R66 WeakPolarHBondContact O-CB 3.3Å; Q62-R66 WeakPolarHBondContact O-CG 3.45Å; Q62-R66 PolarHBondContact O-N 2.9Å; E63-R66 PolarHBondContact O-N 3.33Å; R64-R66 VanDerWaalsContact C-N 3.34Å; R64-R66 PolarHBondContact O-N 2.85Å; R66-E68 VanDerWaalsContact C-N 3.3Å; R66-E68 PolarHBondContact O-N 2.82Å; R66-A69 PolarHBondContact O-N 3.19Å; R66-V70 WeakPolarHBondContact O-CB 3.29Å; R66-V70 WeakPolarHBondContact O-CG2 3.48Å; R66-V70 PolarHBondContact O-N 3.46Å
67	L	64.4	Low	57.3	Low	40 Å²	40	101.1 Å²	101.1	21%	0.209	47%	0.47	C	S	.	.	H	α-helix	trans	-64	-39.3	178.5	-157.2	79.4	0	0	0	110.9	L59 E63 R64 V70 Q71	L59-L67 HydrophobicContact CD1-CD2 4.39Å; E63-L67 WeakPolarHBondContact O-CB 3.46Å; E63-L67 PolarHBondContact O-N 2.95Å; R64-L67 PolarHBondContact O-N 3.5Å; L67-V70 PolarHBondContact O-N 3.24Å; L67-Q71 WeakPolarHBondContact O-CG 3.27Å; L67-Q71 PolarHBondContact O-N 2.87Å
68	E	71.1	Confident	57.4	Low	105 Å²	105	102.2 Å²	102.2	49%	0.491	47%	0.469	S	S	.	.	H	α-helix	trans	-68.2	-42.7	174.2	-175.5	173	-166.6	0	0	112.1	R64 R66 V70 Q71 Q72	R64-E68 VanDerWaalsContact O-CB 3.25Å; R64-E68 WeakPolarHBondContact O-CB 3.2Å; R64-E68 PolarHBondContact O-N 3.08Å; R66-E68 VanDerWaalsContact C-N 3.3Å; R66-E68 PolarHBondContact O-N 2.82Å; E68-V70 VanDerWaalsContact C-N 3.27Å; E68-V70 PolarHBondContact O-N 3.44Å; E68-Q71 CarbonylContact O-C 3.59Å; E68-Q71 PolarHBondContact O-N 3.47Å; E68-Q71 VanDerWaalsContact O-N 3.16Å; E68-Q72 HydrophobicContact CG-CG 4.47Å; E68-Q72 WeakPolarHBondContact O-CB 3.04Å; E68-Q72 WeakPolarHBondContact O-CG 3.27Å; E68-Q72 PolarHBondContact O-N 2.72Å
69	A	70.9	Confident	56.8	Low	52 Å²	52	100.5 Å²	100.5	43%	0.43	48%	0.48	S	S	.	.	H	α-helix	trans	-61.1	-38.1	173.3	0	0	0	0	0	111.4	S65 R66 Q72 D73	S65-A69 WeakPolarHBondContact O-CB 3.3Å; S65-A69 PolarHBondContact O-N 3.11Å; R66-A69 PolarHBondContact O-N 3.19Å; A69-Q72 PolarHBondContact O-N 2.95Å; A69-D73 VanDerWaalsContact O-CB 3.27Å; A69-D73 WeakPolarHBondContact O-CB 3.28Å; A69-D73 PolarHBondContact O-N 2.88Å
70	V	63.6	Low	56.1	Low	36 Å²	36	106.1 Å²	106.1	22%	0.218	51%	0.507	C	S	.	.	H	α-helix	trans	-66.7	-37.3	174.4	164.7	0	0	0	0	112.1	R66 L67 E68 W74 F431	R66-V70 WeakPolarHBondContact O-CB 3.29Å; R66-V70 WeakPolarHBondContact O-CG2 3.48Å; R66-V70 PolarHBondContact O-N 3.46Å; L67-V70 PolarHBondContact O-N 3.24Å; E68-V70 VanDerWaalsContact C-N 3.27Å; E68-V70 PolarHBondContact O-N 3.44Å; V70-W74 WeakPolarHBondContact O-CB 3.43Å; V70-W74 PolarHBondContact O-N 3.28Å; V70-F431 HydrophobicContact CB-CZ 4.09Å; V70-F431 HydrophobicContact CG1-CE2 3.99Å; V70-F431 HydrophobicContact CG1-CZ 3.56Å; V70-F431 HydrophobicContact CG2-CE1 3.58Å; V70-F431 HydrophobicContact CG2-CE2 4.32Å; V70-F431 HydrophobicContact CG2-CZ 3.3Å
71	Q	64.9	Low	55	Low	48 Å²	48	112.9 Å²	112.9	22%	0.224	53%	0.53	C	S	.	.	H	α-helix	trans	-71.2	-37.1	170.6	-75.4	-177.1	19.7	0	0	112.7	L67 E68 W74 R75 G474	L67-Q71 WeakPolarHBondContact O-CG 3.27Å; L67-Q71 PolarHBondContact O-N 2.87Å; E68-Q71 CarbonylContact O-C 3.59Å; E68-Q71 PolarHBondContact O-N 3.47Å; E68-Q71 VanDerWaalsContact O-N 3.16Å; Q71-W74 CarbonylContact O-C 3.59Å; Q71-W74 PolarHBondContact O-N 3.5Å; Q71-R75 WeakPolarHBondContact O-CB 3.23Å; Q71-R75 WeakPolarHBondContact O-CG 3.44Å; Q71-R75 PolarHBondContact O-N 2.87Å; Q71-G474 PolarHBondContact NE2-O 3.37Å
72	Q	60.7	Low	54.2	Low	78 Å²	78	114.8 Å²	114.8	36%	0.364	54%	0.536	S	S	.	.	H	α-helix	trans	-66.2	-41	174.7	-75.2	-166.6	27.7	0	0	110.6	E68 A69 W74 R75 R76	E68-Q72 HydrophobicContact CG-CG 4.47Å; E68-Q72 WeakPolarHBondContact O-CB 3.04Å; E68-Q72 WeakPolarHBondContact O-CG 3.27Å; E68-Q72 PolarHBondContact O-N 2.72Å; A69-Q72 PolarHBondContact O-N 2.95Å; Q72-W74 VanDerWaalsContact C-N 3.34Å; Q72-R75 CarbonylContact O-C 3.37Å; Q72-R75 PolarHBondContact O-N 3.36Å; Q72-R76 VanDerWaalsContact O-CB 3.27Å; Q72-R76 WeakPolarHBondContact O-CB 3.05Å; Q72-R76 WeakPolarHBondContact O-CD 3.48Å; Q72-R76 WeakPolarHBondContact O-CG 3.42Å; Q72-R76 PolarHBondContact O-N 3.24Å
73	D	66.5	Low	52.9	Low	83 Å²	83	115.8 Å²	115.8	44%	0.444	54%	0.54	S	S	.	.	H	α-helix	trans	-65.7	-36.7	174.6	-167.8	48.4	0	0	0	111.6	A69 R76 T77 R430	A69-D73 VanDerWaalsContact O-CB 3.27Å; A69-D73 WeakPolarHBondContact O-CB 3.28Å; A69-D73 PolarHBondContact O-N 2.88Å; D73-R76 PolarHBondContact O-N 2.82Å; D73-T77 PolarHBondContact O-N 3.44Å; D73-T77 VanDerWaalsContact O-N 3.1Å; D73-T77 PolarHBondContact O-OG1 3.16Å; D73-R430 IonicContact OD2-CZ 2.73Å; D73-R430 IonicContact OD2-NH2 3.43Å; D73-R430 PolarHBondContact OD2-NH2 2.97Å
74	W	48.7	Very low	51.5	Low	102 Å²	102	123.3 Å²	123.3	39%	0.386	57%	0.567	S	S	.	*	H	α-helix	trans	-71.1	-32.3	171.9	-166.3	79.1	0	0	0	113.5	V70 Q71 Q72 T77 T420	V70-W74 WeakPolarHBondContact O-CB 3.43Å; V70-W74 PolarHBondContact O-N 3.28Å; Q71-W74 CarbonylContact O-C 3.59Å; Q71-W74 PolarHBondContact O-N 3.5Å; Q72-W74 VanDerWaalsContact C-N 3.34Å; W74-T77 WeakPolarHBondContact CA-OG1 3.14Å; W74-T77 PolarHBondContact O-OG1 2.97Å; W74-T77 VanDerWaalsContact O-OG1 3.1Å; W74-T420 WeakPolarHBondContact CH2-O 3.49Å; W74-T420 VanDerWaalsContact CZ2-O 3.29Å; W74-T420 WeakPolarHBondContact CZ2-O 3.4Å
75	R	53.9	Low	50	Low	158 Å²	158	123.6 Å²	123.6	60%	0.596	58%	0.584	S	S	*	*	H	α-helix	trans	-73.5	-36.2	171.4	-72.9	171.4	-172.1	177.8	6.5	111.8	Q71 Q72 T77 R78	Q71-R75 WeakPolarHBondContact O-CB 3.23Å; Q71-R75 WeakPolarHBondContact O-CG 3.44Å; Q71-R75 PolarHBondContact O-N 2.87Å; Q72-R75 CarbonylContact O-C 3.37Å; Q72-R75 PolarHBondContact O-N 3.36Å; R75-T77 VanDerWaalsContact C-N 3.28Å; R75-T77 PolarHBondContact O-N 3.2Å; R75-R78 PolarHBondContact O-N 2.81Å
76	R	45.6	Very low	48.2	Very low	190 Å²	190	125.8 Å²	125.8	72%	0.717	60%	0.599	S	S	*	*	H	α-helix	trans	-70.4	-20.7	176	-75	165.3	-172.2	-119.1	5.5	113.2	Q72 D73	Q72-R76 VanDerWaalsContact O-CB 3.27Å; Q72-R76 WeakPolarHBondContact O-CB 3.05Å; Q72-R76 WeakPolarHBondContact O-CD 3.48Å; Q72-R76 WeakPolarHBondContact O-CG 3.42Å; Q72-R76 PolarHBondContact O-N 3.24Å; D73-R76 PolarHBondContact O-N 2.82Å
77	T	42	Very low	46.3	Very low	104 Å²	104	126.2 Å²	126.2	64%	0.638	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-2.9	172.9	39.4	0	0	0	0	113.6	D73 W74 R75	D73-T77 PolarHBondContact O-N 3.44Å; D73-T77 VanDerWaalsContact O-N 3.1Å; D73-T77 PolarHBondContact O-OG1 3.16Å; W74-T77 WeakPolarHBondContact CA-OG1 3.14Å; W74-T77 PolarHBondContact O-OG1 2.97Å; W74-T77 VanDerWaalsContact O-OG1 3.1Å; R75-T77 VanDerWaalsContact C-N 3.28Å; R75-T77 PolarHBondContact O-N 3.2Å
78	R	37.7	Very low	44.6	Very low	129 Å²	129	133.7 Å²	133.7	49%	0.487	64%	0.637	S	S	.	*	S	Bend	trans	-87.2	136.2	160.1	-75.7	-171.7	165	-125.7	-12.5	110.1	R75 M80 E338	R75-R78 PolarHBondContact O-N 2.81Å; R78-M80 PolarHBondContact O-N 2.85Å; R78-E338 IonicContact NH2-OE1 2.65Å; R78-E338 PolarHBondContact NH2-OE1 3.08Å
79	P	31.4	Very low	42.6	Very low	133 Å²	133	140.4 Å²	140.4	86%	0.864	66%	0.658	S	S	*	*			trans	-78	80.5	178.1	32.4	-35.2	0	0	0	111.7
80	M	33.7	Very low	40.8	Very low	163 Å²	163	143.5 Å²	143.5	80%	0.803	67%	0.673	S	S	*	*			trans	-110.5	123.2	171.6	-94.1	-75.1	173.1	0	0	110.5	R78	R78-M80 PolarHBondContact O-N 2.85Å
81	K	38	Very low	39.4	Very low	197 Å²	197	149.5 Å²	149.5	86%	0.857	71%	0.705	S	S	*	*			trans	-88.2	123.2	-174.4	-71.7	174	-177.5	163.4	0	112.2
82	F	33.5	Very low	38	Very low	204 Å²	204	155 Å²	155	90%	0.895	74%	0.735	S	S	*	*			trans	32.3	103.8	148.4	-75.4	-85.6	0	0	0	120.6
83	Q	27.1	Very low	37	Very low	167 Å²	167	156.4 Å²	156.4	78%	0.78	75%	0.751	S	S	*	*			trans	-102.3	149	136.5	-85	-166.6	2.8	0	0	107.9
84	W	28.2	Very low	35.4	Very low	207 Å²	207	158 Å²	158	78%	0.784	76%	0.764	S	S	*	*			cis	-137.2	174.5	3.5	-78.9	-26.3	0	0	0	110.5
85	T	30.8	Very low	34.7	Very low	144 Å²	144	159.4 Å²	159.4	88%	0.883	78%	0.784	S	S	*	*				-165.3	127.4	116	15.9	0	0	0	0	112.5
86	S	29.6	Very low	33.7	Very low	117 Å²	117	156.8 Å²	156.8	82%	0.818	79%	0.79	S	S	*	*			trans	-76.8	126.8	177.5	-52.6	0	0	0	0	112.2
87	K	29.4	Very low	33	Very low	193 Å²	193	152.6 Å²	152.6	84%	0.839	79%	0.79	S	S	*	*			trans	-150.9	103.8	170	-137.9	168.4	-172.5	174.5	0	114.6
88	K	29.6	Very low	32.9	Very low	197 Å²	197	153.3 Å²	153.3	86%	0.857	80%	0.797	S	S	*	*			trans	31.2	111.5	148.3	-58.8	179	-179.9	178.3	0	118.6
89	R	28	Very low	32.6	Very low	246 Å²	246	152.5 Å²	152.5	93%	0.928	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-67.6	139.2	146.7	-73.9	-174.8	176.2	-178.3	-1.7	110.1
90	P	34.8	Very low	32.5	Very low	117 Å²	117	152.5 Å²	152.5	76%	0.76	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-94.3	166.6	154.2	35	-27.4	0	0	0	111.3
91	D	33.9	Very low	32.3	Very low	163 Å²	163	150.9 Å²	150.9	87%	0.872	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-92.3	160.1	-174.6	-51.6	-83.2	0	0	0	114.3
92	D	35.7	Very low	31.8	Very low	163 Å²	163	147.3 Å²	147.3	87%	0.872	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-65.4	158.6	177.8	-89.5	-49.5	0	0	0	115.4
93	P	38.8	Very low	31.7	Very low	108 Å²	108	145.3 Å²	145.3	70%	0.701	80%	0.804	S	S	*	*			trans	-134.3	107.4	142.1	35.6	-20.9	0	0	0	115.9
94	T	33.6	Very low	31.8	Very low	115 Å²	115	142.2 Å²	142.2	71%	0.706	80%	0.801	S	S	*	*				62.5	119.6	127.6	63.1	0	0	0	0	123.1
95	T	34.2	Very low	31.9	Very low	133 Å²	133	140.5 Å²	140.5	82%	0.816	81%	0.807	S	S	*	*			trans	64.1	147.7	132.5	55.1	0	0	0	0	121.1
96	S	32.8	Very low	31.9	Very low	103 Å²	103	137.9 Å²	137.9	72%	0.72	80%	0.8	S	S	*	*			cis	-162.7	157.3	-0.1	38.6	0	0	0	0	113.9
97	S	29.8	Very low	31.9	Very low	102 Å²	102	139.6 Å²	139.6	71%	0.713	80%	0.799	S	S	*	*			trans	-35.7	152	157.8	55.2	0	0	0	0	116.5
98	P	41.3	Very low	31.9	Very low	119 Å²	119	137.4 Å²	137.4	77%	0.773	79%	0.792	S	S	*	*				-103.2	-168.3	83.6	35.7	-39.6	0	0	0	111.8
99	S	31.2	Very low	31.9	Very low	111 Å²	111	134.6 Å²	134.6	78%	0.776	79%	0.786	S	S	*	*			cis	-145.5	-174.8	15.4	-60.1	0	0	0	0	112.1
100	T	28.2	Very low	32	Very low	134 Å²	134	127.7 Å²	127.7	82%	0.822	78%	0.775	S	S	*	*			trans	-146.3	151.8	177.8	50.3	0	0	0	0	112
101	V	30.7	Very low	31.9	Very low	129 Å²	129	128.5 Å²	128.5	78%	0.782	78%	0.779	S	S	*	*			trans	-146.3	131.4	144.1	-177.9	0	0	0	0	109.6
102	S	26.8	Very low	32.2	Very low	122 Å²	122	126.4 Å²	126.4	85%	0.853	77%	0.774	S	S	*	*			trans	-158.9	121.1	156.3	-75.3	0	0	0	0	107.5
103	I	32	Very low	32	Very low	162 Å²	162	123.1 Å²	123.1	83%	0.831	76%	0.763	S	S	*	*			trans	-135.1	139.6	175.1	-60.8	-176.9	0	0	0	108.5
104	S	29.2	Very low	31.5	Very low	101 Å²	101	125 Å²	125	71%	0.706	77%	0.767	S	S	*	*			trans	-88.5	169.1	-174.2	49.9	0	0	0	0	113.6
105	N	29.4	Very low	31.3	Very low	172 Å²	172	126 Å²	126	92%	0.92	77%	0.768	S	S	*	*			trans	-145.1	164.6	138.3	-108.5	-21.7	0	0	0	109.8
106	A	30.5	Very low	31	Very low	89 Å²	89	126.6 Å²	126.6	74%	0.736	77%	0.766	S	S	*	*			trans	-135.5	-166.4	-168.9	0	0	0	0	0	112.1
107	L	30.5	Very low	30.9	Very low	152 Å²	152	127.1 Å²	127.1	80%	0.796	77%	0.765	S	S	*	*			trans	74.4	140.3	-167.7	-89.7	64.5	0	0	0	113.4
108	E	29.9	Very low	30.8	Very low	148 Å²	148	127.2 Å²	127.2	69%	0.692	77%	0.766	S	S	*	*			cis	-151.8	168.7	2.3	-154.7	161.6	-127.2	0	0	112.2
109	N	29.6	Very low	30.1	Very low	137 Å²	137	126.5 Å²	126.5	73%	0.733	76%	0.763	S	S	*	*			trans	69.8	150.7	170.8	-69.6	-56.9	0	0	0	119.1
110	S	29.8	Very low	30.1	Very low	101 Å²	101	128 Å²	128	71%	0.706	76%	0.761	S	S	*	*			cis	-166.7	158.5	-49.5	36.7	0	0	0	0	109.4
111	T	31.9	Very low	30.2	Very low	135 Å²	135	127 Å²	127	83%	0.828	76%	0.755	S	S	*	*			trans	-134.3	159.5	171.5	67.1	0	0	0	0	108.5
112	P	41.1	Very low	30.2	Very low	119 Å²	119	127.5 Å²	127.5	77%	0.773	75%	0.753	S	S	*	*				-160.7	-175.7	89.1	42.8	-22.5	0	0	0	117.7
113	S	30.7	Very low	30.4	Very low	93 Å²	93	127 Å²	127	65%	0.65	75%	0.75	S	S	*	*			trans	85.6	89.3	136.7	-167.6	0	0	0	0	123.1
114	L	28	Very low	30.5	Very low	149 Å²	149	124.9 Å²	124.9	78%	0.78	75%	0.749	S	S	*	*				62.7	137.9	116.8	-69.2	163.9	0	0	0	124.2
115	N	29.6	Very low	30.7	Very low	135 Å²	135	125.2 Å²	125.2	72%	0.722	75%	0.751	S	S	*	*			trans	99.9	130.6	140.6	-71.8	-12.4	0	0	0	122.9
116	N	28.6	Very low	31.5	Very low	145 Å²	145	121.3 Å²	121.3	78%	0.775	74%	0.736	S	S	*	*			trans	91.4	120.5	142.9	-84	0.6	0	0	0	123.6
117	V	30.2	Very low	31.6	Very low	115 Å²	115	126.2 Å²	126.2	70%	0.697	74%	0.741	S	S	*	*			trans	79.3	92.7	132.3	-179.2	0	0	0	0	119.2
118	S	27.5	Very low	31.6	Very low	104 Å²	104	123.5 Å²	123.5	73%	0.727	73%	0.734	S	S	*	*				58	133.5	117.8	-45.9	0	0	0	0	123.2
119	S	27.8	Very low	31.7	Very low	103 Å²	103	123.5 Å²	123.5	72%	0.72	74%	0.738	S	S	*	*				108.2	135.7	125.2	79.4	0	0	0	0	121.8
120	I	29.6	Very low	31.7	Very low	144 Å²	144	122.3 Å²	122.3	74%	0.738	74%	0.741	S	S	*	*			trans	77.7	94.9	139.1	-68.6	163.4	0	0	0	120.7
121	T	30.7	Very low	31.8	Very low	111 Å²	111	123.1 Å²	123.1	68%	0.681	75%	0.747	S	S	*	*				50.9	145.5	128.9	72.1	0	0	0	0	125.6
122	N	30	Very low	31.8	Very low	140 Å²	140	121.4 Å²	121.4	75%	0.749	75%	0.746	S	S	*	*			trans	99.9	122	136.5	-78.1	-5.7	0	0	0	122.3
123	S	32.8	Very low	31.3	Very low	113 Å²	113	120.5 Å²	120.5	79%	0.79	75%	0.749	S	S	*	*			trans	61.5	145.2	150.2	43.2	0	0	0	0	119.6
124	S	32.9	Very low	31.2	Very low	117 Å²	117	122.4 Å²	122.4	82%	0.818	76%	0.757	S	S	*	*			cis	-154	173.9	3.6	33.7	0	0	0	0	112.8
125	S	33.5	Very low	31.2	Very low	107 Å²	107	120 Å²	120	75%	0.748	75%	0.753	S	S	*	*			trans	-81.1	-168.1	-176.6	60.5	0	0	0	0	113.3
126	P	46.6	Very low	31.1	Very low	91 Å²	91	120 Å²	120	59%	0.591	76%	0.758	S	S	*	*			cis	-143.4	-173.5	6.5	29	-1.6	0	0	0	118.4
127	F	31.4	Very low	31.3	Very low	191 Å²	191	118.3 Å²	118.3	84%	0.838	76%	0.763	S	S	*	*			trans	71	149.6	170.5	-57.2	-71.8	0	0	0	116.2
128	S	31.8	Very low	31.3	Very low	95 Å²	95	118.4 Å²	118.4	66%	0.664	77%	0.769	S	S	*	*			cis	-171.7	166.5	-2.9	-111.4	0	0	0	0	108.8
129	L	30.8	Very low	31.3	Very low	148 Å²	148	117.8 Å²	117.8	78%	0.775	77%	0.77	S	S	*	*			cis	-168.4	152.6	-18.8	-130	178.7	0	0	0	109
130	S	31	Very low	31.5	Very low	112 Å²	112	120.8 Å²	120.8	78%	0.783	78%	0.777	S	S	*	*			trans	64.4	150.6	170.1	78.3	0	0	0	0	117.3
131	S	31.4	Very low	31.7	Very low	119 Å²	119	121.5 Å²	121.5	83%	0.832	78%	0.78	S	S	*	*			cis	-158.6	-175.9	-13.4	56.4	0	0	0	0	107.1
132	A	32.6	Very low	32.2	Very low	98 Å²	98	121.1 Å²	121.1	81%	0.81	78%	0.78	S	S	*	*			cis	-142.9	-137.7	6.5	0	0	0	0	0	110.6
133	A	29.8	Very low	32.3	Very low	101 Å²	101	123.2 Å²	123.2	84%	0.835	78%	0.783	S	S	*	*			trans	-154.2	165.5	-173.9	0	0	0	0	0	115.8
134	T	28.2	Very low	32.2	Very low	133 Å²	133	124.3 Å²	124.3	82%	0.816	78%	0.784	S	S	*	*			trans	-145.5	134.4	176.2	-47.6	0	0	0	0	112.5
135	S	27.6	Very low	32.1	Very low	99 Å²	99	123.2 Å²	123.2	69%	0.692	78%	0.777	S	S	*	*			trans	75	132.9	157.7	-76.4	0	0	0	0	124.6
136	T	28.7	Very low	32	Very low	135 Å²	135	126.3 Å²	126.3	83%	0.828	79%	0.785	S	S	*	*			trans	61.7	120.9	140.9	55.9	0	0	0	0	123.4
137	A	32.3	Very low	31.2	Very low	108 Å²	108	128.5 Å²	128.5	89%	0.893	80%	0.797	S	S	*	*			trans	-174.8	169.6	131.7	0	0	0	0	0	111.5
138	S	29.6	Very low	31.1	Very low	118 Å²	118	124 Å²	124	83%	0.825	79%	0.794	S	S	*	*			trans	-123.1	147.1	-170.6	-55.8	0	0	0	0	115
139	A	28.8	Very low	31.1	Very low	91 Å²	91	125 Å²	125	75%	0.752	80%	0.796	S	S	*	*			trans	53.1	135.5	147.5	0	0	0	0	0	122.4
140	I	31.5	Very low	31.1	Very low	166 Å²	166	125.4 Å²	125.4	85%	0.851	80%	0.8	S	S	*	*				178.8	147.4	126.4	-91.8	154.7	0	0	0	110.1
141	I	33.3	Very low	31	Very low	158 Å²	158	128.4 Å²	128.4	81%	0.81	80%	0.801	S	S	*	*			trans	-137.7	147.7	171.6	-25.1	175.9	0	0	0	106.9
142	P	41.5	Very low	31.4	Very low	103 Å²	103	128 Å²	128	67%	0.669	80%	0.795	S	S	*	*				-155.2	167.8	98.5	39	-20	0	0	0	117.2
143	F	31.5	Very low	31.3	Very low	185 Å²	185	130.6 Å²	130.6	81%	0.811	79%	0.79	S	S	*	*			trans	11.9	151.1	140.6	-67.7	-90.1	0	0	0	121
144	T	31.3	Very low	31.3	Very low	135 Å²	135	132.2 Å²	132.2	83%	0.828	78%	0.784	S	S	*	*			cis	-128.3	-136.2	37.5	61.3	0	0	0	0	115.4
145	S	31	Very low	31.4	Very low	95 Å²	95	131.8 Å²	131.8	66%	0.664	78%	0.777	S	S	*	*			trans	-174.5	156.3	-149.3	52.3	0	0	0	0	112.9
146	N	31.5	Very low	31.6	Very low	171 Å²	171	134.3 Å²	134.3	91%	0.914	78%	0.778	S	S	*	*			trans	-156.4	161.5	156.2	-118.7	-14.9	0	0	0	113.1
147	V	29.2	Very low	31.7	Very low	138 Å²	138	134 Å²	134	84%	0.836	77%	0.766	S	S	*	*			trans	-131.3	133.3	-171.5	172.7	0	0	0	0	110.8
148	A	29.9	Very low	31.6	Very low	96 Å²	96	134.6 Å²	134.6	79%	0.793	76%	0.759	S	S	*	*			trans	-164.1	129.5	154.2	0	0	0	0	0	113.4
149	T	31.3	Very low	31.7	Very low	115 Å²	115	133.9 Å²	133.9	71%	0.706	75%	0.754	S	S	*	*			trans	-41.1	139	168.8	50.4	0	0	0	0	117.9
150	N	31	Very low	31.8	Very low	157 Å²	157	140.5 Å²	140.5	84%	0.84	76%	0.759	S	S	*	*				171.1	148.5	108.8	-86.8	-35.8	0	0	0	115.1
151	H	29	Very low	32	Very low	176 Å²	176	139.8 Å²	139.8	82%	0.815	76%	0.755	S	S	*	*			trans	-82.5	175.5	161	-87.6	-78.4	0	0	0	110.2
152	P	39.4	Very low	32.5	Very low	109 Å²	109	137.7 Å²	137.7	71%	0.708	75%	0.752	S	S	*	*			cis	-141.7	174.4	17	43.7	-24.6	0	0	0	118.6
153	H	31.5	Very low	32.2	Very low	153 Å²	153	141.3 Å²	141.3	71%	0.708	76%	0.76	S	S	*	*			trans	34.7	114	143.7	-77.5	-104.1	0	0	0	124.6
154	L	29	Very low	32.3	Very low	135 Å²	135	136.2 Å²	136.2	71%	0.707	75%	0.752	S	S	*	*				66.6	137.4	118	-93.5	69.3	0	0	0	125.1
155	N	30.5	Very low	32.3	Very low	124 Å²	124	137.5 Å²	137.5	66%	0.663	75%	0.752	S	S	*	*			trans	93.1	93.5	137.3	-74	8.4	0	0	0	124.2
156	H	32.3	Very low	32.5	Very low	153 Å²	153	138.8 Å²	138.8	71%	0.708	76%	0.756	S	S	*	*				77.1	132.1	114	-92	-80.2	0	0	0	124.9
157	H	31.3	Very low	32.8	Very low	128 Å²	128	137 Å²	137	59%	0.593	75%	0.751	S	S	*	*			trans	89	97.5	140.1	-85.4	-51	0	0	0	123.9
158	V	30.2	Very low	32.9	Very low	121 Å²	121	134.2 Å²	134.2	73%	0.733	75%	0.75	S	S	*	*				95.3	111	112.9	131.4	0	0	0	0	122.3
159	S	30.4	Very low	32.9	Very low	102 Å²	102	133.1 Å²	133.1	71%	0.713	75%	0.749	S	S	*	*			trans	97.7	138.4	132.3	-75.6	0	0	0	0	125.4
160	R	30.9	Very low	33	Very low	230 Å²	230	133.5 Å²	133.5	87%	0.868	75%	0.751	S	S	*	*			trans	79.2	85.8	147.5	-76	-178.3	178	-171.6	0.3	122.6
161	I	37.1	Very low	33.2	Very low	151 Å²	151	133.9 Å²	133.9	77%	0.774	75%	0.753	S	S	*	*				19.5	130.8	106	-51	168.8	0	0	0	118.7
162	P	42.5	Very low	33.4	Very low	115 Å²	115	129 Å²	129	75%	0.747	75%	0.751	S	S	*	*				-112.6	130.1	128.9	33.8	-26.5	0	0	0	111.1
163	Q	35.6	Very low	33	Very low	179 Å²	179	129 Å²	129	84%	0.836	75%	0.753	S	S	*	*				75.6	145	73	-78.4	-160.3	17.6	0	0	114.6
164	A	33.8	Very low	33	Very low	77 Å²	77	129.1 Å²	129.1	64%	0.636	76%	0.758	S	S	*	*			cis	-164.7	178.9	-7.7	0	0	0	0	0	108.1
165	I	31.3	Very low	33.5	Very low	162 Å²	162	128 Å²	128	83%	0.831	76%	0.759	S	S	*	*			cis	-120.9	-123.9	10.1	-34.1	176.2	0	0	0	110.8
166	V	35.9	Very low	34.1	Very low	122 Å²	122	127.1 Å²	127.1	74%	0.739	76%	0.76	S	S	*	*			cis	-140	175.4	7.6	179.3	0	0	0	0	109.5
167	T	37.2	Very low	33.9	Very low	134 Å²	134	127 Å²	127	82%	0.822	76%	0.764	S	S	*	*			trans	-60.6	153	-175.9	53.6	0	0	0	0	116.9
168	G	30.3	Very low	33.8	Very low	79 Å²	79	128.5 Å²	128.5	81%	0.814	78%	0.775	S	S	*	*			cis	153.1	144.5	-9.1	0	0	0	0	0	115.5
169	G	30.2	Very low	33.8	Very low	74 Å²	74	130 Å²	130	76%	0.763	78%	0.778	S	S	*	*			trans	86	155.3	166.2	0	0	0	0	0	117.8
170	T	34.5	Very low	34.2	Very low	122 Å²	122	130.9 Å²	130.9	75%	0.748	78%	0.784	S	S	*	*			cis	-164.8	140.4	-14.2	42	0	0	0	0	110.7
171	N	34.2	Very low	34.6	Very low	166 Å²	166	125.4 Å²	125.4	89%	0.888	78%	0.778	S	S	*	*			trans	62.5	150.8	158	-48.7	-16.8	0	0	0	118.7
172	G	32.6	Very low	34.2	Very low	74 Å²	74	124.6 Å²	124.6	76%	0.763	78%	0.78	S	S	*	*			cis	174	139.7	-13	0	0	0	0	0	115.5
173	S	32.4	Very low	33.6	Very low	107 Å²	107	124.7 Å²	124.7	75%	0.748	78%	0.783	S	S	*	*			trans	66.2	103	138.3	-168.6	0	0	0	0	126
174	L	30.2	Very low	33.4	Very low	157 Å²	157	120 Å²	120	82%	0.822	78%	0.776	S	S	*	*				69.7	-175.2	129.9	-50.2	176.9	0	0	0	119.3
175	P	40.9	Very low	33.3	Very low	112 Å²	112	121.2 Å²	121.2	73%	0.727	79%	0.785	S	S	*	*				-139.4	-130.8	-114.9	40.5	-13.4	0	0	0	113.9
176	P	42.9	Very low	33.4	Very low	105 Å²	105	118.1 Å²	118.1	68%	0.682	78%	0.784	S	S	*	*				-115.3	179.7	-69	35.1	-18.1	0	0	0	115.2
177	L	27.1	Very low	33.4	Very low	151 Å²	151	116.9 Å²	116.9	79%	0.791	79%	0.786	S	S	*	*			trans	55	119.5	150.5	-76.3	169.9	0	0	0	122.9
178	L	28.6	Very low	33	Very low	159 Å²	159	116.6 Å²	116.6	83%	0.832	79%	0.785	S	S	*	*			trans	70.6	163.8	145.2	-71.6	171.4	0	0	0	120.6
179	I	30.8	Very low	33.5	Very low	153 Å²	153	118.4 Å²	118.4	79%	0.785	78%	0.782	S	S	*	*			trans	69	97.9	177.6	-47.5	179	0	0	0	115.3	P181	I179-P181 WeakPolarHBondContact O-CD 3.47Å
180	S	39.8	Very low	33.5	Very low	120 Å²	120	122 Å²	122	84%	0.839	78%	0.783	S	S	*	*			trans	-71	136.9	157.2	-48.5	0	0	0	0	110.4
181	P	39.1	Very low	33.4	Very low	115 Å²	115	123.4 Å²	123.4	75%	0.747	78%	0.784	S	S	*	*			trans	-129.2	143.4	133.4	27.2	-12.7	0	0	0	113.1	I179	I179-P181 WeakPolarHBondContact O-CD 3.47Å
182	T	28.4	Very low	33.3	Very low	134 Å²	134	121.2 Å²	121.2	82%	0.822	78%	0.782	S	S	*	*			trans	-70.8	171.9	-177.8	-20.3	0	0	0	0	113.3
183	S	29.6	Very low	33.3	Very low	116 Å²	116	121.3 Å²	121.3	81%	0.811	78%	0.783	S	S	*	*			trans	83.8	160.2	157.6	88.2	0	0	0	0	116.7
184	A	31.3	Very low	33.3	Very low	82 Å²	82	126.1 Å²	126.1	68%	0.678	79%	0.791	S	S	*	*			cis	-151.3	148.7	5.7	0	0	0	0	0	114.2
185	A	31.3	Very low	33.4	Very low	101 Å²	101	123.6 Å²	123.6	84%	0.835	79%	0.792	S	S	*	*			trans	61.4	164.4	135.6	0	0	0	0	0	119.6
186	A	34.2	Very low	32.9	Very low	98 Å²	98	121.5 Å²	121.5	81%	0.81	79%	0.791	S	S	*	*			cis	-141.8	174.1	4.5	0	0	0	0	0	110.2
187	A	35.6	Very low	32.8	Very low	95 Å²	95	122 Å²	122	79%	0.785	80%	0.795	S	S	*	*			cis	-149.8	160.7	7.3	0	0	0	0	0	112.1
188	T	28.1	Very low	32.9	Very low	129 Å²	129	123.7 Å²	123.7	79%	0.791	80%	0.801	S	S	*	*			trans	-82.7	158.8	174.2	-12.4	0	0	0	0	112.4
189	P	42.8	Very low	33.4	Very low	116 Å²	116	121.7 Å²	121.7	75%	0.753	80%	0.8	S	S	*	*				-130.4	144.9	103.6	8.5	13.3	0	0	0	113
190	L	28.9	Very low	33.6	Very low	151 Å²	151	119.7 Å²	119.7	79%	0.791	80%	0.797	S	S	*	*				81.4	134.1	61	-113.8	157.8	0	0	0	114.4
191	I	33.5	Very low	33.1	Very low	151 Å²	151	118.4 Å²	118.4	77%	0.774	79%	0.788	S	S	*	*			trans	93.9	108.5	160.6	-56.8	173.3	0	0	0	119.8
192	S	32.2	Very low	32.7	Very low	119 Å²	119	119.9 Å²	119.9	83%	0.832	80%	0.795	S	S	*	*			trans	63.2	112.5	141.6	-174.6	0	0	0	0	122.7
193	G	31.9	Very low	32.6	Very low	77 Å²	77	117.2 Å²	117.2	79%	0.794	79%	0.794	S	S	*	*			trans	-172.8	80.2	161.2	0	0	0	0	0	114.6
194	K	31.9	Very low	32.7	Very low	208 Å²	208	117.4 Å²	117.4	90%	0.904	80%	0.795	S	S	*	*			trans	-35.4	154.6	174.4	-64.8	171.4	178.9	176.3	0	115.3
195	A	31.6	Very low	33.3	Very low	103 Å²	103	118.7 Å²	118.7	85%	0.851	80%	0.797	S	S	*	*			cis	-175.3	173.4	-11.5	0	0	0	0	0	106.1
196	G	31.8	Very low	33.4	Very low	69 Å²	69	121.1 Å²	121.1	71%	0.711	79%	0.794	S	S	*	*			cis	-175	171.9	-0.5	0	0	0	0	0	109.5
197	P	40.8	Very low	33.3	Very low	116 Å²	116	123 Å²	123	75%	0.753	79%	0.79	S	S	*	*			trans	-107	167.3	-165.8	40.7	-35.4	0	0	0	115.2
198	M	29.5	Very low	33.1	Very low	185 Å²	185	124.2 Å²	124.2	91%	0.911	79%	0.788	S	S	*	*			trans	62.3	139.7	156.7	-65.8	166.1	77.9	0	0	119.3
199	S	39.1	Very low	33.3	Very low	117 Å²	117	122.3 Å²	122.3	82%	0.818	79%	0.786	S	S	*	*			trans	-53	152.3	172.8	-47	0	0	0	0	112.9
200	P	34.3	Very low	32.9	Very low	112 Å²	112	120.9 Å²	120.9	73%	0.727	78%	0.784	S	S	*	*			cis	-150.4	176.4	43.1	42.1	-21.2	0	0	0	119.5
201	S	29.3	Very low	33.2	Very low	93 Å²	93	119.9 Å²	119.9	65%	0.65	78%	0.784	S	S	*	*			trans	47.2	113.2	145.7	63.7	0	0	0	0	123.5
202	T	29.8	Very low	33.3	Very low	146 Å²	146	118 Å²	118	90%	0.896	78%	0.779	S	S	*	*			trans	63.3	128.2	132.4	58.9	0	0	0	0	122.3
203	G	28.2	Very low	33.4	Very low	77 Å²	77	119.2 Å²	119.2	79%	0.794	78%	0.776	S	S	*	*			trans	164.7	65.9	163	0	0	0	0	0	116.3
204	S	31.2	Very low	33.5	Very low	120 Å²	120	120.6 Å²	120.6	84%	0.839	76%	0.761	S	S	*	*			trans	-80.5	167.1	-180	-46.7	0	0	0	0	113.8
205	P	43.9	Very low	33.5	Very low	110 Å²	110	117.1 Å²	117.1	71%	0.714	75%	0.752	S	S	*	*				-130.4	139.3	129.1	7.8	13.6	0	0	0	114.5
206	I	33.1	Very low	33.5	Very low	151 Å²	151	116.8 Å²	116.8	77%	0.774	75%	0.75	S	S	*	*			trans	62.1	109.8	140.6	-58.1	167.6	0	0	0	115.4
207	N	31.7	Very low	33.4	Very low	137 Å²	137	120 Å²	120	73%	0.733	76%	0.755	S	S	*	*			cis	-159.1	176	9.6	-125.5	-5.9	0	0	0	108.9
208	V	31.7	Very low	32.9	Very low	121 Å²	121	119.3 Å²	119.3	73%	0.733	75%	0.753	S	S	*	*			cis	-141.6	178.7	15.9	-136.4	0	0	0	0	112.3
209	A	32.9	Very low	32.8	Very low	90 Å²	90	116 Å²	116	74%	0.744	75%	0.748	S	S	*	*			trans	-7.9	153.8	150.5	0	0	0	0	0	121.3
210	A	34	Very low	32.8	Very low	86 Å²	86	115.5 Å²	115.5	71%	0.711	74%	0.743	S	S	*	*			cis	174.1	173.8	-9.2	0	0	0	0	0	109
211	T	35.8	Very low	32.5	Very low	129 Å²	129	118.4 Å²	118.4	79%	0.791	75%	0.746	S	S	*	*			cis	175.4	143.1	-28.6	-75.5	0	0	0	0	107.6
212	V	33.8	Very low	32.4	Very low	112 Å²	112	121.5 Å²	121.5	68%	0.679	75%	0.75	S	S	*	*			cis	-173	153.4	-28.9	78	0	0	0	0	110.7
213	L	34.7	Very low	32.2	Very low	145 Å²	145	119.1 Å²	119.1	76%	0.759	74%	0.74	S	S	*	*			trans	66	178.1	160.8	-59	179	0	0	0	121.1
214	Q	34.1	Very low	32.3	Very low	106 Å²	106	122.6 Å²	122.6	50%	0.495	74%	0.739	S	S	.	*				-175.8	144.5	-56.6	-150.3	-170.6	10.2	0	0	113.2	S1607 F1608	Q214-S1607 PolarHBondContact NE2-O 2.98Å; Q214-F1608 PolarHBondContact NE2-O 2.94Å
215	N	32.9	Very low	32.1	Very low	134 Å²	134	125.3 Å²	125.3	72%	0.717	74%	0.736	S	S	*	*			trans	68.2	152	150.3	-76.9	-14.9	0	0	0	127.1
216	A	31.8	Very low	31.5	Very low	97 Å²	97	126.9 Å²	126.9	80%	0.802	74%	0.738	S	S	*	*			trans	84.7	147.3	151.8	0	0	0	0	0	122.5
217	V	29	Very low	31.1	Very low	135 Å²	135	126.1 Å²	126.1	82%	0.818	73%	0.725	S	S	*	*			cis	-171.8	155.5	-37.6	117.2	0	0	0	0	112.7
218	S	30.4	Very low	30.8	Very low	102 Å²	102	124.2 Å²	124.2	71%	0.713	72%	0.723	S	S	*	*			trans	95.7	116.4	170.7	-43.8	0	0	0	0	117.8
219	S	26.6	Very low	30.8	Very low	115 Å²	115	130 Å²	130	80%	0.804	73%	0.731	S	S	*	*				63.5	147.7	65.8	-67.3	0	0	0	0	116.8
220	P	39.3	Very low	30.5	Very low	108 Å²	108	133.2 Å²	133.2	70%	0.701	74%	0.735	S	S	*	*			cis	-142.8	-159.8	-21.6	34.8	-10.8	0	0	0	114.8
221	Q	29.4	Very low	30.2	Very low	173 Å²	173	136.3 Å²	136.3	81%	0.808	74%	0.74	S	S	*	*			trans	80.7	163.9	166.8	-51.2	-75.7	-4.1	0	0	118.7
222	H	25.6	Very low	30	Very low	158 Å²	158	139.2 Å²	139.2	73%	0.731	74%	0.742	S	S	*	*				-172.2	150.6	-61.3	-166.1	-77.2	0	0	0	108.5
223	S	25.8	Very low	29.9	Very low	96 Å²	96	141.1 Å²	141.1	67%	0.671	75%	0.746	S	S	*	*			trans	64.7	168.7	175.7	-65.5	0	0	0	0	114.9
224	I	31.7	Very low	29.8	Very low	150 Å²	150	139.1 Å²	139.1	77%	0.769	74%	0.742	S	S	*	*			cis	-146.8	-171.9	13.9	-143.7	145.6	0	0	0	111.9
225	F	26.7	Very low	29.9	Very low	177 Å²	177	140.2 Å²	140.2	78%	0.776	76%	0.758	S	S	*	*			trans	-38.3	165	174.3	-77.1	-119.3	0	0	0	116.5
226	D	29.9	Very low	29.7	Very low	142 Å²	142	141 Å²	141	76%	0.759	76%	0.762	S	S	*	*			cis	-158.9	-178.5	35.4	-146.8	-17.5	0	0	0	115.9
227	R	25.6	Very low	29.6	Very low	135 Å²	135	143.3 Å²	143.3	51%	0.509	77%	0.767	S	S	.	*			trans	-99.3	153	176.4	-60.7	-178.4	175.3	174.9	2.9	113.8	D1035	R227-D1035 IonicContact CZ-OD1 2.76Å; R227-D1035 IonicContact CZ-OD2 2.64Å; R227-D1035 IonicContact NH1-OD2 2.89Å; R227-D1035 PolarHBondContact NH1-OD2 2.89Å; R227-D1035 IonicContact NH2-OD1 2.7Å; R227-D1035 PolarHBondContact NH2-OD1 3.46Å; R227-D1035 IonicContact NH2-OD2 2.67Å; R227-D1035 PolarHBondContact NH2-OD2 2.8Å
228	S	26	Very low	29.6	Very low	98 Å²	98	142.1 Å²	142.1	69%	0.685	77%	0.765	S	S	*	*			trans	49.2	124.6	138.4	64.4	0	0	0	0	121
229	R	30.8	Very low	29.6	Very low	242 Å²	242	145.4 Å²	145.4	91%	0.913	77%	0.773	S	S	*	*				-154.2	153	111.5	-106.3	162.4	-164.2	-120	2.6	111.1
230	L	26.3	Very low	29.9	Very low	158 Å²	158	144.4 Å²	144.4	83%	0.827	77%	0.772	S	S	*	*			trans	-76.7	146.6	-175.6	-83.1	58.5	0	0	0	111.7
231	N	29	Very low	29.5	Very low	150 Å²	150	144.2 Å²	144.2	80%	0.802	77%	0.773	S	S	*	*				-162.3	155.1	115.3	-124.2	-37.3	0	0	0	116.5
232	K	31	Very low	29.5	Very low	191 Å²	191	140.8 Å²	140.8	83%	0.83	77%	0.768	S	S	*	*			trans	59.4	110.9	159.7	-67.3	-173.2	176.1	-179	0	122.1
233	I	31.3	Very low	29.7	Very low	151 Å²	151	138 Å²	138	77%	0.774	77%	0.766	S	S	*	*			trans	-68.9	160.9	149.5	-58.8	155.2	0	0	0	109.7
234	P	33.3	Very low	29.9	Very low	103 Å²	103	137.8 Å²	137.8	67%	0.669	77%	0.765	S	S	*	*			cis	-120.3	171.3	-21.8	35.5	-21	0	0	0	113.6
235	P	35.2	Very low	30.2	Very low	130 Å²	130	136.2 Å²	136.2	84%	0.844	77%	0.765	S	S	*	*			trans	-88.5	123.2	163.4	33.6	-29.2	0	0	0	111.7
236	N	28.4	Very low	30.6	Very low	149 Å²	149	132 Å²	132	80%	0.797	76%	0.757	S	S	*	*			trans	-156.9	59.2	166.6	-162.5	32.3	0	0	0	114.4
237	T	30.9	Very low	30.8	Very low	147 Å²	147	132.3 Å²	132.3	90%	0.902	76%	0.759	S	S	*	*			trans	-160.3	137.6	152.7	15.5	0	0	0	0	110.8
238	S	28.3	Very low	31.2	Very low	110 Å²	110	130 Å²	130	77%	0.769	77%	0.768	S	S	*	*			trans	-83.9	139.6	168.9	51.7	0	0	0	0	111.5
239	L	30.9	Very low	31.8	Very low	171 Å²	171	129.9 Å²	129.9	90%	0.895	77%	0.773	S	S	*	*			trans	-166.9	135.9	146.1	-112.3	164.7	0	0	0	112.8
240	A	32.5	Very low	32.1	Very low	94 Å²	94	125.7 Å²	125.7	78%	0.777	77%	0.769	S	S	*	*			trans	59.1	126	158.2	0	0	0	0	0	121
241	S	30.5	Very low	32.5	Very low	103 Å²	103	124.2 Å²	124.2	72%	0.72	76%	0.762	S	S	*	*			trans	-94.7	172.5	157.8	56.9	0	0	0	0	111.6
242	S	30.8	Very low	32.9	Very low	102 Å²	102	123.8 Å²	123.8	71%	0.713	76%	0.76	S	S	*	*			trans	45.4	145.3	141	60.1	0	0	0	0	123
243	S	29.7	Very low	33.1	Very low	98 Å²	98	123.8 Å²	123.8	69%	0.685	76%	0.76	S	S	*	*			cis	175.2	137.8	-23.9	49.8	0	0	0	0	112
244	S	28.1	Very low	33.4	Very low	92 Å²	92	121.8 Å²	121.8	64%	0.643	76%	0.757	S	S	*	*			trans	65.9	177.5	162.6	-30.5	0	0	0	0	117.3
245	P	38.5	Very low	33.4	Very low	118 Å²	118	124 Å²	124	77%	0.766	76%	0.761	S	S	*	*			cis	-128	-173.5	-19.6	40.2	-23.7	0	0	0	112.9
246	S	35	Very low	33.3	Very low	89 Å²	89	125.5 Å²	125.5	62%	0.622	76%	0.757	S	S	*	*			cis	-172.2	-176	-34.9	61.8	0	0	0	0	112
247	D	34.1	Very low	33.4	Very low	147 Å²	147	125.4 Å²	125.4	79%	0.786	75%	0.752	S	S	*	*			trans	83.7	151.6	161.3	-77.6	64.3	0	0	0	118.7
248	A	35.2	Very low	33.2	Very low	86 Å²	86	128.4 Å²	128.4	71%	0.711	75%	0.747	S	S	*	*			cis	-164.2	-177.1	-4.3	0	0	0	0	0	113.8
249	A	37.7	Very low	33.3	Very low	96 Å²	96	131.9 Å²	131.9	79%	0.793	75%	0.751	S	S	*	*			trans	84.7	83	150.8	0	0	0	0	0	123
250	N	36.5	Very low	33.2	Very low	154 Å²	154	129.5 Å²	129.5	82%	0.824	75%	0.748	S	S	*	*			trans	32.1	126.1	134.4	-71.3	17.4	0	0	0	124.6
251	N	35.3	Very low	33.1	Very low	128 Å²	128	133 Å²	133	68%	0.684	75%	0.752	S	S	*	*				143.8	144.7	97.2	-117.8	53.5	0	0	0	117.4
252	D	37.6	Very low	33	Very low	141 Å²	141	135.7 Å²	135.7	75%	0.754	76%	0.758	S	S	*	*			trans	75.7	165.7	159.5	-73.8	-58.8	0	0	0	123.5
253	K	34.9	Very low	32.8	Very low	191 Å²	191	135.8 Å²	135.8	83%	0.83	76%	0.758	S	S	*	*			trans	-119	-176.1	-154.1	-50.9	173.4	-176.6	172.4	0	112.6
254	P	39	Very low	32.8	Very low	109 Å²	109	138.3 Å²	138.3	71%	0.708	76%	0.764	S	S	*	*				-125.2	174.3	-65.4	37.9	-23.1	0	0	0	112
255	I	32.6	Very low	32.9	Very low	148 Å²	148	139 Å²	139	76%	0.759	76%	0.764	S	S	*	*			trans	152.7	136.1	145.4	-84.4	162.5	0	0	0	113.3
256	Q	32.1	Very low	32.6	Very low	163 Å²	163	142.4 Å²	142.4	76%	0.762	76%	0.761	S	S	*	*			trans	55	134	158.3	-78.4	171.2	8.4	0	0	124.1
257	Q	30.4	Very low	32.6	Very low	147 Å²	147	143.4 Å²	143.4	69%	0.687	76%	0.764	S	S	*	*			trans	66.6	118.1	140.3	-67.8	-170.3	19.2	0	0	122.5
258	R	28.5	Very low	32.7	Very low	210 Å²	210	143.8 Å²	143.8	79%	0.792	77%	0.765	S	S	*	*			trans	76.2	127.6	134.6	-83.4	179.3	167	152	-4.7	120.4
259	H	28.9	Very low	32.5	Very low	183 Å²	183	143.7 Å²	143.7	85%	0.847	76%	0.756	S	S	*	*			trans	77.7	146.7	160.7	-80.5	-107	0	0	0	119.7
260	S	30	Very low	32.3	Very low	121 Å²	121	147.3 Å²	147.3	85%	0.846	76%	0.756	S	S	*	*			trans	68.5	117.1	178.3	-134.2	0	0	0	0	117.4
261	I	29.5	Very low	32.3	Very low	167 Å²	167	143.8 Å²	143.8	86%	0.856	75%	0.749	S	S	*	*			trans	-110	122.8	171.6	-64.8	168.7	0	0	0	107.3
262	L	28	Very low	32.5	Very low	160 Å²	160	146.2 Å²	146.2	84%	0.838	76%	0.758	S	S	*	*			trans	-174.4	158.5	156.4	-105.8	170.5	0	0	0	110.9
263	S	27.7	Very low	32.7	Very low	103 Å²	103	145.2 Å²	145.2	72%	0.72	76%	0.757	S	S	*	*			trans	68.3	136.7	-174.4	66.2	0	0	0	0	115.8
264	N	30.3	Very low	32.9	Very low	151 Å²	151	142.5 Å²	142.5	81%	0.807	75%	0.752	S	S	*	*			cis	81.6	137.2	36.8	-64.4	-16.9	0	0	0	112.6
265	V	29.8	Very low	32.8	Very low	106 Å²	106	144.2 Å²	144.2	64%	0.642	75%	0.754	S	S	*	*			cis	-165.7	169.9	4.1	108.9	0	0	0	0	111
266	R	32.6	Very low	33	Very low	191 Å²	191	140.7 Å²	140.7	72%	0.721	76%	0.755	S	S	*	*			trans	68.5	175.7	166.8	-92	166.9	-171.3	129.2	0.9	115.6
267	T	34.7	Very low	33.8	Very low	110 Å²	110	139 Å²	139	68%	0.675	76%	0.758	S	S	*	*			cis	-132.9	-165	9.8	-8.2	0	0	0	0	109.7
268	L	35.9	Very low	34.3	Very low	154 Å²	154	144.1 Å²	144.1	81%	0.806	77%	0.771	S	S	*	*			cis	-133.6	-155.1	9.3	-145	124	0	0	0	112.3
269	T	31.4	Very low	34.9	Very low	84 Å²	84	140 Å²	140	52%	0.515	77%	0.77	S	S	.	*			trans	-165.7	163.5	-137.1	-13.3	0	0	0	0	115.9
270	Q	33.1	Very low	35.5	Very low	172 Å²	172	139.2 Å²	139.2	80%	0.804	77%	0.771	S	S	*	*			trans	67.7	166.7	143.3	-85.9	157.1	-21.9	0	0	119.9
271	A	36.3	Very low	36.2	Very low	81 Å²	81	138.9 Å²	138.9	67%	0.669	76%	0.764	S	S	*	*			cis	-133.9	-174.1	14.2	0	0	0	0	0	111.9
272	M	40.1	Very low	37	Very low	178 Å²	178	134.1 Å²	134.1	88%	0.877	76%	0.756	S	S	*	*			cis	-153.8	119.6	29.3	-58.9	168.2	68	0	0	114.4
273	V	41.1	Very low	38.1	Very low	120 Å²	120	132.6 Å²	132.6	73%	0.727	75%	0.749	S	S	*	*				24.6	137.2	111.3	-174.3	0	0	0	0	117.4
274	N	38.6	Very low	39.3	Very low	135 Å²	135	131.5 Å²	131.5	72%	0.722	74%	0.735	S	S	*	*			cis	-160.2	-176.7	33.1	-146.1	11.8	0	0	0	117.9
275	D	37.3	Very low	40.3	Very low	144 Å²	144	130.2 Å²	130.2	77%	0.77	73%	0.725	S	S	*	*			trans	93.9	125.3	146.3	-72.2	-17.3	0	0	0	124.2
276	G	37.7	Very low	41.6	Very low	75 Å²	75	131.7 Å²	131.7	77%	0.773	73%	0.73	S	S	*	*			trans	105.2	102.5	135.3	0	0	0	0	0	121.2
277	P	49.3	Very low	42.6	Very low	127 Å²	127	128.7 Å²	128.7	83%	0.825	72%	0.722	S	S	*	*			trans	-113.3	150.6	-179.4	38.8	-31.4	0	0	0	116.8
278	R	40	Very low	43.5	Very low	254 Å²	254	129.2 Å²	129.2	96%	0.958	72%	0.718	S	S	*	*			trans	-149.4	166.4	159.2	-88.2	-154.3	173.8	-162.5	-2.4	113.9
279	T	40.9	Very low	44.6	Very low	124 Å²	124	126.4 Å²	126.4	76%	0.761	71%	0.707	S	S	*	*			trans	-89.4	131.9	-156.9	48.5	0	0	0	0	117.7
280	L	41.5	Very low	46.1	Very low	166 Å²	166	126.2 Å²	126.2	87%	0.869	71%	0.709	S	S	*	*			trans	29.2	125	137.1	-59.7	174.2	0	0	0	121.5
281	T	44.2	Very low	47.7	Very low	115 Å²	115	124.8 Å²	124.8	71%	0.706	70%	0.702	S	S	*	*			trans	-139.3	158.3	142.2	36.9	0	0	0	0	110	D283	T281-D283 PolarHBondContact O-N 2.85Å
282	G	46	Very low	49.4	Very low	67 Å²	67	127.9 Å²	127.9	69%	0.691	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-82.7	-6.8	-162.5	0	0	0	0	0	118.1
283	D	51.2	Low	50.9	Low	128 Å²	128	124.6 Å²	124.6	68%	0.684	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-87.2	-5.6	-166.3	-57.5	-69.9	0	0	0	115.3	T281	T281-D283 PolarHBondContact O-N 2.85Å
284	D	53.2	Low	52.5	Low	79 Å²	79	127.5 Å²	127.5	42%	0.422	68%	0.683	S	S	.	*	G	3₁₀ helix	trans	-90.2	-11.1	-174.6	-67.2	-54	0	0	0	114.5	K287 M288	D284-K287 PolarHBondContact O-N 3.3Å; D284-K287 IonicContact OD1-NZ 3.94Å; D284-K287 PolarHBondContact OD1-NZ 3.43Å; D284-M288 PolarHBondContact O-N 2.73Å
285	M	52.2	Low	54.4	Low	124 Å²	124	123.9 Å²	123.9	61%	0.611	67%	0.673	S	S	*	*	H	α-helix	trans	-69.6	-43.6	175.5	-71	-75.3	93.9	0	0	112.6	K287 M288 V289	M285-K287 PolarHBondContact O-N 2.79Å; M285-M288 HydrophobicContact CE-SD 3.71Å; M285-M288 PolarHBondContact O-N 3.1Å; M285-M288 VanDerWaalsContact O-N 3.17Å; M285-V289 PolarHBondContact O-N 3.19Å
286	D	55.7	Low	56.6	Low	138 Å²	138	125.8 Å²	125.8	74%	0.738	67%	0.669	S	S	*	*	H	α-helix	trans	-66.2	-25.6	177.5	-76.8	-25.1	0	0	0	112.4	S290	D286-S290 VanDerWaalsContact O-CB 3.29Å; D286-S290 WeakPolarHBondContact O-CB 3.42Å; D286-S290 PolarHBondContact O-N 3.48Å
287	K	53.8	Low	58.6	Low	128 Å²	128	128.8 Å²	128.8	56%	0.557	66%	0.661	S	S	*	*	H	α-helix	trans	-69.7	-48.4	169.5	-73.7	-176.8	-163.6	145.8	0	112	D284 M285 V289 S290 E291	D284-K287 PolarHBondContact O-N 3.3Å; D284-K287 IonicContact OD1-NZ 3.94Å; D284-K287 PolarHBondContact OD1-NZ 3.43Å; M285-K287 PolarHBondContact O-N 2.79Å; K287-V289 VanDerWaalsContact C-N 3.3Å; K287-V289 PolarHBondContact O-N 2.64Å; K287-S290 WeakPolarHBondContact O-CB 3.35Å; K287-S290 PolarHBondContact O-N 3.11Å; K287-S290 VanDerWaalsContact O-N 3.13Å; K287-E291 WeakPolarHBondContact O-CB 3.34Å; K287-E291 PolarHBondContact O-N 2.92Å
288	M	55.1	Low	60	Low	121 Å²	121	129 Å²	129	60%	0.596	65%	0.651	S	S	*	*	H	α-helix	trans	-60	-40.9	180	-72.8	-170.8	69.8	0	0	111.9	D284 M285 E291 E292	D284-M288 PolarHBondContact O-N 2.73Å; M285-M288 HydrophobicContact CE-SD 3.71Å; M285-M288 PolarHBondContact O-N 3.1Å; M285-M288 VanDerWaalsContact O-N 3.17Å; M288-E291 PolarHBondContact O-N 3.26Å; M288-E292 WeakPolarHBondContact O-CB 3.49Å; M288-E292 PolarHBondContact O-N 3.49Å
289	V	58.8	Low	61.8	Low	94 Å²	94	122.9 Å²	122.9	57%	0.57	63%	0.633	S	S	*	*	H	α-helix	trans	-64.9	-39.9	175.3	176.2	0	0	0	0	111.8	M285 K287 E291 E293	M285-V289 PolarHBondContact O-N 3.19Å; K287-V289 VanDerWaalsContact C-N 3.3Å; K287-V289 PolarHBondContact O-N 2.64Å; V289-E291 VanDerWaalsContact C-N 3.34Å; V289-E291 PolarHBondContact O-N 3.08Å; V289-E293 VanDerWaalsContact O-CB 3.32Å; V289-E293 WeakPolarHBondContact O-CB 3.37Å; V289-E293 PolarHBondContact O-N 3.25Å
290	S	62.5	Low	63.8	Low	81 Å²	81	123.2 Å²	123.2	57%	0.566	63%	0.626	S	S	*	*	H	α-helix	trans	-65.5	-34.9	175.6	-171.7	0	0	0	0	112.9	D286 K287 R294	D286-S290 VanDerWaalsContact O-CB 3.29Å; D286-S290 WeakPolarHBondContact O-CB 3.42Å; D286-S290 PolarHBondContact O-N 3.48Å; K287-S290 WeakPolarHBondContact O-CB 3.35Å; K287-S290 PolarHBondContact O-N 3.11Å; K287-S290 VanDerWaalsContact O-N 3.13Å; S290-R294 WeakPolarHBondContact O-CB 3.44Å; S290-R294 PolarHBondContact O-N 3Å; S290-R294 VanDerWaalsContact O-N 3.16Å
291	E	67.4	Low	65.8	Low	141 Å²	141	121.1 Å²	121.1	66%	0.659	61%	0.61	S	S	*	*	H	α-helix	trans	-80	-36.3	179.9	-164.4	155.3	-132.6	0	0	112.4	K287 M288 V289 R294 A295	K287-E291 WeakPolarHBondContact O-CB 3.34Å; K287-E291 PolarHBondContact O-N 2.92Å; M288-E291 PolarHBondContact O-N 3.26Å; V289-E291 VanDerWaalsContact C-N 3.34Å; V289-E291 PolarHBondContact O-N 3.08Å; E291-R294 WeakPolarHBondContact O-CB 3.4Å; E291-R294 PolarHBondContact O-N 3.09Å; E291-A295 WeakPolarHBondContact O-CB 3.39Å; E291-A295 PolarHBondContact O-N 3.19Å
292	E	70.4	Confident	67.7	Low	147 Å²	147	124.7 Å²	124.7	69%	0.687	61%	0.61	S	S	*	*	H	α-helix	trans	-67.1	-44.7	172.5	-173.1	173.2	-176	0	0	111.8	M288 R294 A295 R296	M288-E292 WeakPolarHBondContact O-CB 3.49Å; M288-E292 PolarHBondContact O-N 3.49Å; E292-R294 VanDerWaalsContact C-N 3.25Å; E292-R294 PolarHBondContact O-N 3Å; E292-A295 PolarHBondContact O-N 3.47Å; E292-R296 VanDerWaalsContact O-CB 3.32Å; E292-R296 WeakPolarHBondContact O-CB 3.39Å; E292-R296 PolarHBondContact O-N 3.37Å
293	E	72.2	Confident	69.4	Low	108 Å²	108	127.3 Å²	127.3	51%	0.505	61%	0.605	S	S	.	*	H	α-helix	trans	-62	-34.8	173.9	-176.4	67.7	-174.1	0	0	111.3	V289 K297	V289-E293 VanDerWaalsContact O-CB 3.32Å; V289-E293 WeakPolarHBondContact O-CB 3.37Å; V289-E293 PolarHBondContact O-N 3.25Å; E293-K297 VanDerWaalsContact O-CB 3.29Å; E293-K297 WeakPolarHBondContact O-CB 3.32Å; E293-K297 PolarHBondContact O-N 3.15Å
294	R	74.9	Confident	70.8	Confident	181 Å²	181	128.1 Å²	128.1	68%	0.683	60%	0.604	S	S	*	*	H	α-helix	trans	-67	-48.2	174	-167.8	-175.7	-163.7	104.2	1.2	111.9	S290 E291 E292 R296 K297 E298	S290-R294 WeakPolarHBondContact O-CB 3.44Å; S290-R294 PolarHBondContact O-N 3Å; S290-R294 VanDerWaalsContact O-N 3.16Å; E291-R294 WeakPolarHBondContact O-CB 3.4Å; E291-R294 PolarHBondContact O-N 3.09Å; E292-R294 VanDerWaalsContact C-N 3.25Å; E292-R294 PolarHBondContact O-N 3Å; R294-R296 VanDerWaalsContact C-N 3.32Å; R294-R296 PolarHBondContact O-N 3.37Å; R294-K297 PolarHBondContact O-N 3.37Å; R294-E298 PolarHBondContact O-N 3.31Å
295	A	79.1	Confident	72.1	Confident	60 Å²	60	129.8 Å²	129.8	50%	0.496	61%	0.61	S	S	.	*	H	α-helix	trans	-61	-42	177.6	0	0	0	0	0	111.6	E291 E292 K297 E298 Q299	E291-A295 WeakPolarHBondContact O-CB 3.39Å; E291-A295 PolarHBondContact O-N 3.19Å; E292-A295 PolarHBondContact O-N 3.47Å; A295-K297 PolarHBondContact O-N 2.98Å; A295-E298 PolarHBondContact O-N 3.06Å; A295-Q299 PolarHBondContact O-N 3.31Å
296	R	82	Confident	73.4	Confident	184 Å²	184	128.6 Å²	128.6	69%	0.694	60%	0.603	S	S	*	*	H	α-helix	trans	-61.3	-42.4	176.3	-168.1	179.3	-170.3	-169	4.5	112.4	E292 R294 Q299 E300	E292-R296 VanDerWaalsContact O-CB 3.32Å; E292-R296 WeakPolarHBondContact O-CB 3.39Å; E292-R296 PolarHBondContact O-N 3.37Å; R294-R296 VanDerWaalsContact C-N 3.32Å; R294-R296 PolarHBondContact O-N 3.37Å; R296-Q299 PolarHBondContact O-N 3.43Å; R296-E300 PolarHBondContact O-N 3.46Å
297	K	80.2	Confident	74.5	Confident	137 Å²	137	128.4 Å²	128.4	60%	0.596	60%	0.595	S	S	*	*	H	α-helix	trans	-71.4	-31.1	178.2	-162.7	167.6	-161.7	153.6	0	113.2	E293 R294 A295 K301	E293-K297 VanDerWaalsContact O-CB 3.29Å; E293-K297 WeakPolarHBondContact O-CB 3.32Å; E293-K297 PolarHBondContact O-N 3.15Å; R294-K297 PolarHBondContact O-N 3.37Å; A295-K297 PolarHBondContact O-N 2.98Å; K297-K301 WeakPolarHBondContact O-CB 3.2Å; K297-K301 PolarHBondContact O-N 2.63Å
298	E	79.2	Confident	75.5	Confident	131 Å²	131	124.5 Å²	124.5	61%	0.612	59%	0.587	S	S	*	*	H	α-helix	trans	-73.2	-34.8	172.3	-170.3	155.5	-171.9	0	0	111.7	R294 A295 R302	R294-E298 PolarHBondContact O-N 3.31Å; A295-E298 PolarHBondContact O-N 3.06Å; E298-R302 WeakPolarHBondContact O-CB 3.36Å; E298-R302 PolarHBondContact O-N 3.36Å
299	Q	76.9	Confident	76.4	Confident	127 Å²	127	121.2 Å²	121.2	59%	0.593	58%	0.579	S	S	*	*	H	α-helix	trans	-69.7	-40.1	170.7	-174.5	163.4	-23.7	0	0	112.6	A295 R296 K301 R302 E303	A295-Q299 PolarHBondContact O-N 3.31Å; R296-Q299 PolarHBondContact O-N 3.43Å; Q299-K301 PolarHBondContact O-N 2.86Å; Q299-R302 WeakPolarHBondContact O-CB 3.33Å; Q299-R302 PolarHBondContact O-N 2.8Å; Q299-R302 VanDerWaalsContact O-N 3.11Å; Q299-E303 PolarHBondContact O-N 3.09Å
300	E	82.8	Confident	76.9	Confident	130 Å²	130	124.5 Å²	124.5	61%	0.607	58%	0.581	S	S	*	*	H	α-helix	trans	-59.2	-45.1	172	-177.8	177.4	-146.3	0	0	111.4	R296 R302 E303 E304	R296-E300 PolarHBondContact O-N 3.46Å; E300-R302 VanDerWaalsContact C-N 3.29Å; E300-R302 PolarHBondContact O-N 2.76Å; E300-E303 PolarHBondContact O-N 3.38Å; E300-E304 PolarHBondContact O-N 3.42Å
301	K	85	Confident	77	Confident	123 Å²	123	128.1 Å²	128.1	54%	0.535	58%	0.582	S	S	.	*	H	α-helix	trans	-58.5	-41.4	172.4	-171.6	-160.6	173.3	-100.4	0	111.6	K297 Q299 E304 E305	K297-K301 WeakPolarHBondContact O-CB 3.2Å; K297-K301 PolarHBondContact O-N 2.63Å; Q299-K301 PolarHBondContact O-N 2.86Å; K301-E304 PolarHBondContact O-N 2.85Å; K301-E305 IonicContact NZ-OE1 3.13Å; K301-E305 IonicContact NZ-OE2 2.79Å; K301-E305 PolarHBondContact NZ-OE2 2.79Å; K301-E305 VanDerWaalsContact O-CB 3.28Å; K301-E305 WeakPolarHBondContact O-CB 3.46Å; K301-E305 PolarHBondContact O-N 2.95Å
302	R	83.7	Confident	76.6	Confident	189 Å²	189	126.4 Å²	126.4	71%	0.713	58%	0.576	S	S	*	*	H	α-helix	trans	-68.5	-39.2	-178.8	-151.5	175.6	-159.2	157.2	5.3	112.2	E298 Q299 E300 E305 E306	E298-R302 WeakPolarHBondContact O-CB 3.36Å; E298-R302 PolarHBondContact O-N 3.36Å; Q299-R302 WeakPolarHBondContact O-CB 3.33Å; Q299-R302 PolarHBondContact O-N 2.8Å; Q299-R302 VanDerWaalsContact O-N 3.11Å; E300-R302 VanDerWaalsContact C-N 3.29Å; E300-R302 PolarHBondContact O-N 2.76Å; R302-E305 PolarHBondContact O-N 3.04Å; R302-E306 WeakPolarHBondContact O-CB 3.48Å; R302-E306 PolarHBondContact O-N 2.71Å
303	E	82	Confident	76	Confident	123 Å²	123	125.3 Å²	125.3	58%	0.575	58%	0.576	S	S	*	*	H	α-helix	trans	-65.7	-38	170.4	-74.2	-169.3	172.7	0	0	111.9	Q299 E300 K307	Q299-E303 PolarHBondContact O-N 3.09Å; E300-E303 PolarHBondContact O-N 3.38Å; E303-K307 WeakPolarHBondContact O-CB 3.34Å; E303-K307 PolarHBondContact O-N 2.72Å
304	E	80.3	Confident	75.3	Confident	144 Å²	144	124.6 Å²	124.6	67%	0.673	58%	0.578	S	S	*	*	H	α-helix	trans	-68	-38.8	175.2	-173.2	165.7	-133.4	0	0	112.3	E300 K301 K307 A308	E300-E304 PolarHBondContact O-N 3.42Å; K301-E304 PolarHBondContact O-N 2.85Å; E304-K307 CarbonylContact O-C 3.5Å; E304-K307 PolarHBondContact O-N 2.73Å; E304-A308 WeakPolarHBondContact O-CB 3.11Å; E304-A308 PolarHBondContact O-N 3.11Å
305	E	80.7	Confident	74.2	Confident	115 Å²	115	122 Å²	122	54%	0.537	57%	0.574	S	S	.	*	H	α-helix	trans	-68.4	-42.3	176.9	-168.4	158.6	-161.3	0	0	111.5	K301 R302 K307 A308 A309	K301-E305 IonicContact NZ-OE1 3.13Å; K301-E305 IonicContact NZ-OE2 2.79Å; K301-E305 PolarHBondContact NZ-OE2 2.79Å; K301-E305 VanDerWaalsContact O-CB 3.28Å; K301-E305 WeakPolarHBondContact O-CB 3.46Å; K301-E305 PolarHBondContact O-N 2.95Å; R302-E305 PolarHBondContact O-N 3.04Å; E305-K307 VanDerWaalsContact C-N 3.34Å; E305-K307 PolarHBondContact O-N 3.02Å; E305-A308 WeakPolarHBondContact O-CB 3.38Å; E305-A308 PolarHBondContact O-N 3.31Å; E305-A309 PolarHBondContact O-N 2.87Å
306	E	78.5	Confident	73	Confident	99 Å²	99	124.9 Å²	124.9	46%	0.463	58%	0.581	S	S	.	*	H	α-helix	trans	-64.8	-38.1	171.7	-165.4	-170.4	139.6	0	0	111.8	R302 A308 A309 R310	R302-E306 WeakPolarHBondContact O-CB 3.48Å; R302-E306 PolarHBondContact O-N 2.71Å; E306-A308 VanDerWaalsContact C-N 3.27Å; E306-A308 PolarHBondContact O-N 3.19Å; E306-A309 PolarHBondContact O-N 2.85Å; E306-R310 WeakPolarHBondContact O-CB 3.38Å; E306-R310 VanDerWaalsContact O-CG 3.23Å; E306-R310 WeakPolarHBondContact O-CG 3.1Å; E306-R310 PolarHBondContact O-N 2.85Å; E306-R310 IonicContact OE1-CZ 2.66Å; E306-R310 IonicContact OE1-NE 2.71Å; E306-R310 PolarHBondContact OE1-NE 3.06Å; E306-R310 IonicContact OE1-NH2 2.64Å; E306-R310 PolarHBondContact OE1-NH2 2.77Å
307	K	78.4	Confident	71.6	Confident	134 Å²	134	121.4 Å²	121.4	58%	0.583	58%	0.576	S	S	*	*	H	α-helix	trans	-74.6	-14.7	176.4	-172.8	178.4	-172	175	0	113.4	E303 E304 E305 R311	E303-K307 WeakPolarHBondContact O-CB 3.34Å; E303-K307 PolarHBondContact O-N 2.72Å; E304-K307 CarbonylContact O-C 3.5Å; E304-K307 PolarHBondContact O-N 2.73Å; E305-K307 VanDerWaalsContact C-N 3.34Å; E305-K307 PolarHBondContact O-N 3.02Å; K307-R311 WeakPolarHBondContact O-CG 3.35Å
308	A	75.6	Confident	70.3	Confident	46 Å²	46	121.2 Å²	121.2	38%	0.38	58%	0.576	S	S	.	*	H	α-helix	trans	-84.6	-43.8	166.8	0	0	0	0	0	111	E304 E305 E306 R310 R311 I312	E304-A308 WeakPolarHBondContact O-CB 3.11Å; E304-A308 PolarHBondContact O-N 3.11Å; E305-A308 WeakPolarHBondContact O-CB 3.38Å; E305-A308 PolarHBondContact O-N 3.31Å; E306-A308 VanDerWaalsContact C-N 3.27Å; E306-A308 PolarHBondContact O-N 3.19Å; A308-R310 PolarHBondContact O-N 3.49Å; A308-R311 WeakPolarHBondContact O-CB 3.49Å; A308-R311 PolarHBondContact O-N 2.94Å; A308-I312 PolarHBondContact O-N 2.73Å
309	A	72.9	Confident	69.1	Low	52 Å²	52	121.1 Å²	121.1	43%	0.43	58%	0.579	S	S	.	*	H	α-helix	trans	-57.4	-48.2	172.9	0	0	0	0	0	111.6	E305 E306 R311 I312 D313	E305-A309 PolarHBondContact O-N 2.87Å; E306-A309 PolarHBondContact O-N 2.85Å; A309-R311 PolarHBondContact O-N 2.85Å; A309-I312 PolarHBondContact O-N 2.88Å; A309-D313 PolarHBondContact O-N 3.29Å
310	R	69.7	Low	67.9	Low	163 Å²	163	116.9 Å²	116.9	62%	0.615	57%	0.566	S	S	*	*	H	α-helix	trans	-64.8	2.7	173	-67.7	170.9	179	-103.9	11.7	115	E306 A308 V314	E306-R310 WeakPolarHBondContact O-CB 3.38Å; E306-R310 VanDerWaalsContact O-CG 3.23Å; E306-R310 WeakPolarHBondContact O-CG 3.1Å; E306-R310 PolarHBondContact O-N 2.85Å; E306-R310 IonicContact OE1-CZ 2.66Å; E306-R310 IonicContact OE1-NE 2.71Å; E306-R310 PolarHBondContact OE1-NE 3.06Å; E306-R310 IonicContact OE1-NH2 2.64Å; E306-R310 PolarHBondContact OE1-NH2 2.77Å; A308-R310 PolarHBondContact O-N 3.49Å; R310-V314 WeakPolarHBondContact O-CG2 3.31Å
311	R	64.2	Low	66.6	Low	156 Å²	156	117.7 Å²	117.7	59%	0.589	57%	0.57	S	S	*	*	H	α-helix	trans	-99.8	-37.6	166.8	-74.7	171.5	179.8	-175.7	0.7	111.8	K307 A308 A309 V314 E315	K307-R311 WeakPolarHBondContact O-CG 3.35Å; A308-R311 WeakPolarHBondContact O-CB 3.49Å; A308-R311 PolarHBondContact O-N 2.94Å; A309-R311 PolarHBondContact O-N 2.85Å; R311-V314 CarbonylContact O-C 3.57Å; R311-V314 WeakPolarHBondContact O-CA 3.18Å; R311-V314 WeakPolarHBondContact O-CB 3.34Å; R311-V314 PolarHBondContact O-N 3.34Å; R311-E315 WeakPolarHBondContact O-CG 3.38Å; R311-E315 PolarHBondContact O-N 3.22Å; R311-E315 VanDerWaalsContact O-N 3.15Å
312	I	60.4	Low	65.9	Low	105 Å²	105	117 Å²	117	54%	0.538	57%	0.568	S	S	.	*	H	α-helix	trans	-65.1	-42.6	178.6	-60.8	170.1	0	0	0	110.1	A308 A309 V314 E315 D316	A308-I312 PolarHBondContact O-N 2.73Å; A309-I312 PolarHBondContact O-N 2.88Å; I312-V314 PolarHBondContact O-N 3.3Å; I312-E315 PolarHBondContact O-N 3.22Å; I312-D316 PolarHBondContact O-N 2.88Å
313	D	57.6	Low	65.8	Low	125 Å²	125	114.7 Å²	114.7	67%	0.668	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-19.2	171.4	-82.2	-20.8	0	0	0	113.9	A309	A309-D313 PolarHBondContact O-N 3.29Å
314	V	57.3	Low	66.1	Low	93 Å²	93	112 Å²	112	56%	0.564	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	-8.6	179.3	179.4	0	0	0	0	111.6	R310 R311 I312	R310-V314 WeakPolarHBondContact O-CG2 3.31Å; R311-V314 CarbonylContact O-C 3.57Å; R311-V314 WeakPolarHBondContact O-CA 3.18Å; R311-V314 WeakPolarHBondContact O-CB 3.34Å; R311-V314 PolarHBondContact O-N 3.34Å; I312-V314 PolarHBondContact O-N 3.3Å
315	E	52.9	Low	66.7	Low	126 Å²	126	109.4 Å²	109.4	59%	0.589	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-40.1	176.7	-73.5	164.4	179.3	0	0	110.3	R311 I312 D317 F318	R311-E315 WeakPolarHBondContact O-CG 3.38Å; R311-E315 PolarHBondContact O-N 3.22Å; R311-E315 VanDerWaalsContact O-N 3.15Å; I312-E315 PolarHBondContact O-N 3.22Å; E315-D317 VanDerWaalsContact C-N 3.33Å; E315-D317 PolarHBondContact O-N 2.65Å; E315-F318 WeakPolarHBondContact O-CB 3.44Å; E315-F318 PolarHBondContact O-N 3.38Å; E315-F318 VanDerWaalsContact O-N 3.14Å
316	D	52.4	Low	67.2	Low	120 Å²	120	106 Å²	106	64%	0.642	53%	0.532	S	S	*	.	H	α-helix	trans	-63.6	-34.2	170.8	-92.5	-7.1	0	0	0	113	I312 F318 D319 A320	I312-D316 PolarHBondContact O-N 2.88Å; D316-F318 PolarHBondContact O-N 2.86Å; D316-D319 PolarHBondContact O-N 3.4Å; D316-A320 PolarHBondContact O-N 3.01Å
317	D	54	Low	67.9	Low	111 Å²	111	108.1 Å²	108.1	59%	0.594	54%	0.54	S	S	*	.	H	α-helix	trans	-69.8	-12.7	177.1	-156.4	36.4	0	0	0	112.4	E315	E315-D317 VanDerWaalsContact C-N 3.33Å; E315-D317 PolarHBondContact O-N 2.65Å
318	F	51.5	Low	68.6	Low	134 Å²	134	101.9 Å²	101.9	59%	0.588	51%	0.513	S	S	*	.	H	α-helix	trans	-84.3	-42.3	174.4	-136.5	-94.3	0	0	0	111.9	E315 D316 A320 Q321	E315-F318 WeakPolarHBondContact O-CB 3.44Å; E315-F318 PolarHBondContact O-N 3.38Å; E315-F318 VanDerWaalsContact O-N 3.14Å; D316-F318 PolarHBondContact O-N 2.86Å; F318-A320 PolarHBondContact O-N 2.87Å; F318-Q321 WeakPolarHBondContact O-CB 3.31Å; F318-Q321 PolarHBondContact O-N 3.16Å
319	D	53.7	Low	69.3	Low	129 Å²	129	107.1 Å²	107.1	69%	0.69	53%	0.527	S	S	*	.	H	α-helix	trans	-66.6	-22.5	172.1	-86.3	4.8	0	0	0	112	D316 Q321	D316-D319 PolarHBondContact O-N 3.4Å; D319-Q321 PolarHBondContact O-N 3.1Å
320	A	52.8	Low	70.2	Confident	38 Å²	38	109.3 Å²	109.3	31%	0.314	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-63.3	-26.4	169.9	0	0	0	0	0	113.6	D316 F318	D316-A320 PolarHBondContact O-N 3.01Å; F318-A320 PolarHBondContact O-N 2.87Å
321	Q	56.3	Low	71.3	Confident	146 Å²	146	103 Å²	103	68%	0.682	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-82.2	-19.7	-177	-67.2	-167.4	-24.5	0	0	114.7	F318 D319 K323	F318-Q321 WeakPolarHBondContact O-CB 3.31Å; F318-Q321 PolarHBondContact O-N 3.16Å; D319-Q321 PolarHBondContact O-N 3.1Å; Q321-K323 VanDerWaalsContact C-N 3.34Å
322	E	68.4	Low	72.9	Confident	109 Å²	109	98.4 Å²	98.4	51%	0.509	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-96.3	21.9	178.8	-153.2	158.4	-118.6	0	0	113	F336 R350	E322-F336 HydrophobicContact CG-CD1 4.07Å; E322-F336 HydrophobicContact CG-CE1 3.76Å; E322-F336 HydrophobicContact CG-CZ 4.38Å; E322-F336 VanDerWaalsContact O-CE1 3.31Å; E322-F336 WeakPolarHBondContact O-CE1 3.43Å; E322-R350 IonicContact OE1-CZ 3.68Å; E322-R350 IonicContact OE1-NH1 3.7Å; E322-R350 IonicContact OE1-NH2 2.74Å; E322-R350 PolarHBondContact OE1-NH2 3.43Å
323	K	82.3	Confident	74.6	Confident	140 Å²	140	93.6 Å²	93.6	61%	0.609	48%	0.475	S	S	*	.			trans	-72.9	128.3	171.2	-73.9	171.8	-176.9	161.4	0	110.6	Q321	Q321-K323 VanDerWaalsContact C-N 3.34Å
324	P	89.2	Confident	76.5	Confident	67 Å²	67	89.3 Å²	89.3	44%	0.435	45%	0.452	S	S	.	.			trans	-73.5	132	-179.7	30.3	-35.4	0	0	0	111.4	L334 K335 F336	P324-L334 HydrophobicContact CB-CB 3.96Å; P324-L334 HydrophobicContact CB-CD1 4.25Å; P324-L334 HydrophobicContact CB-CD2 4.14Å; P324-L334 HydrophobicContact CB-CG 4.34Å; P324-L334 HydrophobicContact CG-CD1 4.26Å; P324-L334 HydrophobicContact CG-CD2 4.32Å; P324-K335 CarbonylContact C-O 3.6Å; P324-K335 WeakPolarHBondContact CA-O 3.34Å; P324-F336 HydrophobicContact CB-CE1 4.33Å
325	I	91.7	Very high	78.3	Confident	89 Å²	89	85.8 Å²	85.8	46%	0.456	43%	0.429	S	S	.	.	S	Bend	trans	-91.7	-20.9	-176.1	54.8	161.6	0	0	0	113.8	K335 D337	I325-K335 HydrophobicContact CD1-CD 3.78Å; I325-K335 HydrophobicContact CD1-CG 4.08Å; I325-K335 HydrophobicContact CG1-CB 4.22Å; I325-K335 HydrophobicContact CG1-CD 3.92Å; I325-K335 HydrophobicContact CG1-CG 3.94Å; I325-K335 WeakPolarHBondContact CG1-O 3.5Å; I325-K335 PolarHBondContact N-O 2.75Å; I325-D337 HydrophobicContact CD1-CB 3.97Å; I325-D337 HydrophobicContact CG2-CB 4.34Å
326	D	91.5	Very high	80.3	Confident	45 Å²	45	80.5 Å²	80.5	24%	0.241	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	163.8	174.5	-163.2	4.7	0	0	0	109.7	K335 W362 Y411	D326-K335 HydrophobicContact CB-CB 3.87Å; D326-K335 HydrophobicContact CB-CD 3.78Å; D326-K335 HydrophobicContact CB-CG 4.47Å; D326-K335 PolarHBondContact O-N 2.63Å; D326-W362 HydrophobicContact CB-CH2 4.18Å; D326-W362 HydrophobicContact CB-CZ2 3.98Å; D326-W362 WeakPolarHBondContact OD2-CZ2 3.45Å; D326-Y411 PolarHBondContact OD2-OH 3.14Å; D326-Y411 VanDerWaalsContact OD2-OH 3.08Å
327	K	93.3	Very high	82.2	Confident	142 Å²	142	79.8 Å²	79.8	62%	0.617	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	144	178.4	65.4	-174.3	178.3	-177.1	0	111.8	F333 L334	K327-F333 WeakPolarHBondContact CA-O 3.3Å; K327-L334 HydrophobicContact CB-CD2 3.86Å
328	S	93.8	Very high	84.1	Confident	3 Å²	3	77.6 Å²	77.6	2%	0.021	39%	0.387	C	S	.	.			trans	-54.2	157.2	170.4	55.1	0	0	0	0	113	N330 G331 R332 F333	S328-N330 WeakPolarHBondContact CB-OD1 3.31Å; S328-N330 PolarHBondContact O-N 3.45Å; S328-N330 PolarHBondContact OG-OD1 2.78Å; S328-G331 WeakPolarHBondContact O-CA 3.34Å; S328-G331 PolarHBondContact O-N 3.3Å; S328-G331 PolarHBondContact OG-N 2.81Å; S328-R332 PolarHBondContact OG-N 3.31Å; S328-F333 PolarHBondContact N-O 2.98Å; S328-F333 PolarHBondContact OG-N 2.85Å; S328-F333 PolarHBondContact OG-O 3.07Å
329	K	90	Very high	86.1	Confident	156 Å²	156	72.9 Å²	72.9	68%	0.678	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-28.5	-175.7	-63.9	-179	-178.8	175.6	0	114.2	W400 E401	K329-W400 HydrophobicContact CD-CB 4.19Å; K329-W400 HydrophobicContact CD-CG 4.32Å; K329-W400 HydrophobicContact CG-CG 4.35Å; K329-E401 WeakPolarHBondContact CE-O 3.36Å; K329-E401 PolarHBondContact NZ-O 2.96Å
330	N	91.6	Very high	87.9	Confident	99 Å²	99	69.8 Å²	69.8	53%	0.529	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-2.8	173.6	55.5	7.6	0	0	0	113	S328 R332	S328-N330 WeakPolarHBondContact CB-OD1 3.31Å; S328-N330 PolarHBondContact O-N 3.45Å; S328-N330 PolarHBondContact OG-OD1 2.78Å; N330-R332 PolarHBondContact O-N 3.22Å; N330-R332 WeakPolarHBondContact OD1-CB 3.14Å; N330-R332 PolarHBondContact OD1-N 2.85Å
331	G	92.9	Very high	89.4	Confident	31 Å²	31	69.2 Å²	69.2	32%	0.32	35%	0.348	S	S	.	.	S	Bend	trans	77.2	-6.7	-177.4	0	0	0	0	0	115.3	S328	S328-G331 WeakPolarHBondContact O-CA 3.34Å; S328-G331 PolarHBondContact O-N 3.3Å; S328-G331 PolarHBondContact OG-N 2.81Å
332	R	96.7	Very high	90.7	Very high	59 Å²	59	67.6 Å²	67.6	22%	0.223	34%	0.335	C	S	.	.			trans	-61	-52.4	-174.7	177.3	179	175.8	158.5	-8.4	112.6	S328 N330 D353 T354 E355	S328-R332 PolarHBondContact OG-N 3.31Å; N330-R332 PolarHBondContact O-N 3.22Å; N330-R332 WeakPolarHBondContact OD1-CB 3.14Å; N330-R332 PolarHBondContact OD1-N 2.85Å; R332-D353 WeakPolarHBondContact CG-OD1 3.34Å; R332-D353 IonicContact CZ-OD1 3.81Å; R332-D353 IonicContact CZ-OD2 2.81Å; R332-D353 IonicContact NE-OD1 3.25Å; R332-D353 PolarHBondContact NE-OD1 2.93Å; R332-D353 IonicContact NE-OD2 2.7Å; R332-D353 PolarHBondContact NE-OD2 2.78Å; R332-D353 IonicContact NH2-OD1 2.73Å; R332-D353 IonicContact NH2-OD2 3.89Å; R332-D353 PolarHBondContact NH2-OD2 2.89Å; R332-T354 WeakPolarHBondContact O-CB 3.32Å; R332-T354 WeakPolarHBondContact O-CG2 3.39Å; R332-T354 PolarHBondContact O-N 3.32Å; R332-T354 PolarHBondContact O-OG1 2.95Å; R332-E355 VanDerWaalsContact CD-CD 3.44Å; R332-E355 VanDerWaalsContact CD-OE1 3.31Å; R332-E355 WeakPolarHBondContact CD-OE1 3.34Å; R332-E355 HydrophobicContact CG-CB 4.47Å; R332-E355 HydrophobicContact CG-CG 3.98Å; R332-E355 IonicContact CZ-OE2 3.23Å; R332-E355 IonicContact NE-OE1 2.89Å; R332-E355 IonicContact NE-OE2 3.87Å; R332-E355 PolarHBondContact NE-OE2 3.15Å; R332-E355 IonicContact NH1-OE1 2.69Å; R332-E355 IonicContact NH1-OE2 3.1Å; R332-E355 PolarHBondContact NH1-OE2 3.21Å; R332-E355 IonicContact NH2-OE2 2.76Å
333	F	97.7	Very high	90.8	Very high	3 Å²	3	64 Å²	64	1%	0.013	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	135.9	179.3	-49.6	-71.6	0	0	0	111.4	K327 S328 L352 D353 V360 W362 D398 W400 V415	K327-F333 WeakPolarHBondContact CA-O 3.3Å; S328-F333 PolarHBondContact N-O 2.98Å; S328-F333 PolarHBondContact OG-N 2.85Å; S328-F333 PolarHBondContact OG-O 3.07Å; F333-L352 WeakPolarHBondContact CA-O 3.43Å; F333-D353 HydrophobicContact CD1-CB 3.86Å; F333-D353 HydrophobicContact CE1-CB 3.82Å; F333-V360 HydrophobicContact CD1-CG2 4.31Å; F333-W362 HydrophobicContact CB-CE3 4.37Å; F333-W362 HydrophobicContact CB-CZ3 4.15Å; F333-D398 HydrophobicContact CE2-CB 3.76Å; F333-D398 HydrophobicContact CZ-CB 4.42Å; F333-W400 HydrophobicContact CB-CH2 4.34Å; F333-W400 HydrophobicContact CD2-CH2 4.09Å; F333-W400 AromaticContact CD2-CZ3 3.93Å; F333-W400 HydrophobicContact CD2-CZ3 3.93Å; F333-V415 HydrophobicContact CB-CG2 4.3Å; F333-V415 HydrophobicContact CD1-CG1 3.73Å; F333-V415 HydrophobicContact CD2-CB 4.43Å; F333-V415 HydrophobicContact CD2-CG1 4.43Å; F333-V415 HydrophobicContact CD2-CG2 3.97Å; F333-V415 HydrophobicContact CE1-CG1 3.93Å; F333-V415 HydrophobicContact CE2-CG2 4.47Å; F333-V415 HydrophobicContact CG-CB 4.43Å; F333-V415 HydrophobicContact CG-CG1 4Å; F333-V415 HydrophobicContact CG-CG2 4.03Å; F333-V415 HydrophobicContact CZ-CG1 4.37Å
334	L	96.3	Very high	89.8	Confident	36 Å²	36	62 Å²	62	19%	0.188	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	147.4	172.7	-60.8	176.7	0	0	0	110.5	P324 K327 G351 L352 T354	P324-L334 HydrophobicContact CB-CB 3.96Å; P324-L334 HydrophobicContact CB-CD1 4.25Å; P324-L334 HydrophobicContact CB-CD2 4.14Å; P324-L334 HydrophobicContact CB-CG 4.34Å; P324-L334 HydrophobicContact CG-CD1 4.26Å; P324-L334 HydrophobicContact CG-CD2 4.32Å; K327-L334 HydrophobicContact CB-CD2 3.86Å; L334-G351 CarbonylContact O-C 3.59Å; L334-G351 WeakPolarHBondContact O-CA 3.29Å; L334-L352 PolarHBondContact N-O 2.82Å; L334-L352 PolarHBondContact O-N 3.27Å; L334-T354 HydrophobicContact CD1-CG2 3.57Å; L334-T354 HydrophobicContact CG-CG2 3.74Å
335	K	96	Very high	88.8	Confident	18 Å²	18	62.2 Å²	62.2	8%	0.078	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	138.6	173.7	-173.4	-168.8	-177.4	178.5	0	110.5	P324 I325 D326 F349 W362 E364	P324-K335 CarbonylContact C-O 3.6Å; P324-K335 WeakPolarHBondContact CA-O 3.34Å; I325-K335 HydrophobicContact CD1-CD 3.78Å; I325-K335 HydrophobicContact CD1-CG 4.08Å; I325-K335 HydrophobicContact CG1-CB 4.22Å; I325-K335 HydrophobicContact CG1-CD 3.92Å; I325-K335 HydrophobicContact CG1-CG 3.94Å; I325-K335 WeakPolarHBondContact CG1-O 3.5Å; I325-K335 PolarHBondContact N-O 2.75Å; D326-K335 HydrophobicContact CB-CB 3.87Å; D326-K335 HydrophobicContact CB-CD 3.78Å; D326-K335 HydrophobicContact CB-CG 4.47Å; D326-K335 PolarHBondContact O-N 2.63Å; K335-F349 VanDerWaalsContact CE-CG 3.41Å; K335-F349 HydrophobicContact CG-CB 4.18Å; K335-F349 HydrophobicContact CG-CG 4.45Å; K335-W362 HydrophobicContact CB-CD2 3.74Å; K335-W362 HydrophobicContact CB-CE3 3.87Å; K335-W362 HydrophobicContact CB-CG 4.28Å; K335-W362 HydrophobicContact CB-CH2 3.97Å; K335-W362 HydrophobicContact CB-CZ2 3.89Å; K335-W362 HydrophobicContact CB-CZ3 3.98Å; K335-W362 HydrophobicContact CD-CD2 4.37Å; K335-W362 HydrophobicContact CD-CG 4.47Å; K335-W362 HydrophobicContact CD-CZ2 4.1Å; K335-W362 HydrophobicContact CG-CD2 3.97Å; K335-W362 HydrophobicContact CG-CG 4.02Å; K335-W362 HydrophobicContact CG-CZ2 4.37Å; K335-E364 WeakPolarHBondContact CE-OE1 3.42Å; K335-E364 IonicContact NZ-OE1 3.91Å; K335-E364 PolarHBondContact NZ-OE1 2.97Å; K335-E364 IonicContact NZ-OE2 2.6Å; K335-E364 PolarHBondContact NZ-OE2 3.45Å
336	F	94.9	Very high	88.2	Confident	15 Å²	15	60.6 Å²	60.6	7%	0.066	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	162.9	168.5	-50.8	-83.1	0	0	0	110.7	E322 P324 E338 R350 L352	E322-F336 HydrophobicContact CG-CD1 4.07Å; E322-F336 HydrophobicContact CG-CE1 3.76Å; E322-F336 HydrophobicContact CG-CZ 4.38Å; E322-F336 VanDerWaalsContact O-CE1 3.31Å; E322-F336 WeakPolarHBondContact O-CE1 3.43Å; P324-F336 HydrophobicContact CB-CE1 4.33Å; F336-E338 PolarHBondContact O-N 3.25Å; F336-R350 HydrophobicContact CD2-CG 4.31Å; F336-R350 PolarHBondContact N-O 2.94Å; F336-L352 HydrophobicContact CE2-CB 3.64Å; F336-L352 HydrophobicContact CZ-CB 3.88Å; F336-L352 HydrophobicContact CZ-CD2 4.42Å
337	D	92.2	Very high	88	Confident	106 Å²	106	58.8 Å²	58.8	57%	0.567	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	17	177.2	-148	28.7	0	0	0	113.5	I325 E339	I325-D337 HydrophobicContact CD1-CB 3.97Å; I325-D337 HydrophobicContact CG2-CB 4.34Å; D337-E339 PolarHBondContact O-N 3.32Å
338	E	93.4	Very high	87.9	Confident	65 Å²	65	52.9 Å²	52.9	30%	0.304	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	95.3	168.6	-174.1	-178.9	167.2	0	0	109.4	R78 F336 L340 F349 R350	R78-E338 IonicContact NH2-OE1 2.65Å; R78-E338 PolarHBondContact NH2-OE1 3.08Å; F336-E338 PolarHBondContact O-N 3.25Å; E338-L340 HydrophobicContact CG-CD2 4.24Å; E338-F349 CarbonylContact O-C 3.44Å; E338-R350 HydrophobicContact CB-CB 3.95Å; E338-R350 HydrophobicContact CG-CB 4.38Å; E338-R350 PolarHBondContact O-N 2.96Å; E338-R350 WeakPolarHBondContact OE2-CD 3.27Å; E338-R350 IonicContact OE2-CZ 2.93Å; E338-R350 IonicContact OE2-NE 3.73Å; E338-R350 IonicContact OE2-NH1 3.26Å; E338-R350 PolarHBondContact OE2-NH1 2.91Å
339	E	93.8	Very high	87.9	Confident	35 Å²	35	53.2 Å²	53.2	16%	0.164	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	123	178	-127.4	-142.4	127.6	0	0	111.2	D337 T347 F349 R1589 Q1590	D337-E339 PolarHBondContact O-N 3.32Å; E339-T347 HydrophobicContact CG-CG2 3.94Å; E339-T347 WeakPolarHBondContact OE1-CG2 3.44Å; E339-F349 HydrophobicContact CB-CD1 4.45Å; E339-F349 HydrophobicContact CB-CE1 4.46Å; E339-F349 HydrophobicContact CG-CD1 3.95Å; E339-F349 HydrophobicContact CG-CE1 3.64Å; E339-F349 HydrophobicContact CG-CZ 4.06Å; E339-R1589 VanDerWaalsContact CB-NH2 3.28Å; E339-R1589 PolarHBondContact O-NH1 3.48Å; E339-R1589 IonicContact OE1-CZ 3.1Å; E339-R1589 IonicContact OE1-NE 2.77Å; E339-R1589 PolarHBondContact OE1-NE 2.94Å; E339-R1589 IonicContact OE1-NH2 2.85Å; E339-R1589 PolarHBondContact OE1-NH2 2.57Å; E339-R1589 WeakPolarHBondContact OE2-CG 3.31Å; E339-R1589 IonicContact OE2-CZ 3.49Å; E339-R1589 IonicContact OE2-NE 2.65Å; E339-R1589 PolarHBondContact OE2-NE 3.15Å; E339-R1589 IonicContact OE2-NH2 2.68Å; E339-Q1590 VanDerWaalsContact OE1-CB 3.25Å; E339-Q1590 WeakPolarHBondContact OE1-CB 3.36Å; E339-Q1590 PolarHBondContact OE1-OE1 3.48Å; E339-Q1590 WeakPolarHBondContact OE2-CB 3.4Å
340	L	90.2	Very high	88.2	Confident	63 Å²	63	48.8 Å²	48.8	33%	0.33	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-46.9	-175.6	-60.7	178.5	0	0	0	117.6	E338 V348 R350 L418 R1589	E338-L340 HydrophobicContact CG-CD2 4.24Å; L340-V348 WeakPolarHBondContact CA-O 3.39Å; L340-V348 HydrophobicContact CB-CB 4.46Å; L340-V348 HydrophobicContact CB-CG1 4.22Å; L340-V348 PolarHBondContact N-O 2.89Å; L340-R350 HydrophobicContact CD1-CB 3.96Å; L340-R350 HydrophobicContact CD2-CB 4.34Å; L340-R350 HydrophobicContact CG-CB 4.16Å; L340-L418 HydrophobicContact CD1-CD1 3.39Å; L340-L418 HydrophobicContact CD1-CD2 4.44Å; L340-R1589 VanDerWaalsContact C-CZ 3.44Å; L340-R1589 VanDerWaalsContact C-NH2 3.34Å; L340-R1589 PolarHBondContact O-NH1 2.9Å; L340-R1589 VanDerWaalsContact O-NH1 3.13Å
341	G	84.9	Confident	88.4	Confident	27 Å²	27	44.1 Å²	44.1	28%	0.278	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	143.2	167.9	0	0	0	0	0	113.9	V348 R1589	G341-V348 PolarHBondContact N-O 2.83Å; G341-V348 WeakPolarHBondContact O-CB 2.95Å; G341-V348 PolarHBondContact O-N 3.4Å; G341-R1589 VanDerWaalsContact C-CZ 3.42Å; G341-R1589 VanDerWaalsContact CA-NH2 3.32Å; G341-R1589 PolarHBondContact O-NH2 3.16Å
342	R	83.9	Confident	88.6	Confident	111 Å²	111	45.1 Å²	45.1	42%	0.419	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.2	176.1	-169.3	-154.5	-167.2	162.7	10.2	110.5	Q1590	R342-Q1590 HydrophobicContact CG-CG 4.17Å; R342-Q1590 VanDerWaalsContact CZ-CG 3.48Å; R342-Q1590 VanDerWaalsContact NH1-N 3.12Å
343	G	70.3	Confident	88.6	Confident	34 Å²	34	42.4 Å²	42.4	35%	0.351	22%	0.224	S	C	.	.			trans	-112.2	-173.4	167.6	0	0	0	0	0	112.3	F345 K346	G343-F345 VanDerWaalsContact C-N 3.27Å; G343-F345 PolarHBondContact O-N 3.5Å; G343-K346 PolarHBondContact N-O 3.26Å
344	S	61.9	Low	88.6	Confident	97 Å²	97	45.7 Å²	45.7	68%	0.678	25%	0.245	S	C	*	.	S	Bend	trans	-68.3	-20.3	-179.9	38.5	0	0	0	0	114.8
345	F	67.6	Low	88.5	Confident	73 Å²	73	50.1 Å²	50.1	32%	0.32	27%	0.265	S	S	.	.	S	Bend	trans	-128.9	-14.8	-179.2	-57.5	-85	0	0	0	114.5	G343 L365 Q366 K369 I499	G343-F345 VanDerWaalsContact C-N 3.27Å; G343-F345 PolarHBondContact O-N 3.5Å; F345-L365 WeakPolarHBondContact O-CA 3.44Å; F345-Q366 PolarHBondContact O-N 3.03Å; F345-K369 HydrophobicContact CD1-CD 3.93Å; F345-K369 HydrophobicContact CE1-CD 3.67Å; F345-I499 HydrophobicContact CE2-CD1 4.39Å; F345-I499 HydrophobicContact CZ-CD1 4.29Å
346	K	80	Confident	88.5	Confident	54 Å²	54	53 Å²	53	24%	0.235	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149	-175.8	79.8	-178	-176.2	-169.7	0	112.9	G343 V348 E364 L365 D483	G343-K346 PolarHBondContact N-O 3.26Å; K346-V348 HydrophobicContact CD-CG2 4.38Å; K346-E364 CarbonylContact C-O 3.2Å; K346-E364 VanDerWaalsContact CA-O 3.3Å; K346-E364 WeakPolarHBondContact CA-O 3.37Å; K346-L365 HydrophobicContact CB-CG 4.05Å; K346-D483 IonicContact NZ-OD1 3.48Å; K346-D483 PolarHBondContact NZ-OD1 3.08Å; K346-D483 IonicContact NZ-OD2 3.7Å; K346-D483 PolarHBondContact NZ-OD2 3.31Å
347	T	86.7	Confident	88.4	Confident	7 Å²	7	55 Å²	55	4%	0.043	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.4	161.9	-60.2	0	0	0	0	109.9	E339 F349 C363 E364 Q1590	E339-T347 HydrophobicContact CG-CG2 3.94Å; E339-T347 WeakPolarHBondContact OE1-CG2 3.44Å; T347-F349 HydrophobicContact CG2-CD2 3.85Å; T347-F349 HydrophobicContact CG2-CE2 3.29Å; T347-F349 HydrophobicContact CG2-CZ 3.7Å; T347-C363 CarbonylContact O-C 3.51Å; T347-C363 WeakPolarHBondContact O-CA 3.46Å; T347-E364 PolarHBondContact N-O 3.3Å; T347-E364 PolarHBondContact O-N 2.88Å; T347-Q1590 PolarHBondContact OG1-NE2 2.74Å
348	V	90.4	Very high	88.6	Confident	19 Å²	19	53.3 Å²	53.3	12%	0.115	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.6	176.9	-170.3	0	0	0	0	109	L340 G341 K346 A361 W362 C363 R1589	L340-V348 WeakPolarHBondContact CA-O 3.39Å; L340-V348 HydrophobicContact CB-CB 4.46Å; L340-V348 HydrophobicContact CB-CG1 4.22Å; L340-V348 PolarHBondContact N-O 2.89Å; G341-V348 PolarHBondContact N-O 2.83Å; G341-V348 WeakPolarHBondContact O-CB 2.95Å; G341-V348 PolarHBondContact O-N 3.4Å; K346-V348 HydrophobicContact CD-CG2 4.38Å; V348-A361 HydrophobicContact CG1-CB 3.83Å; V348-W362 CarbonylContact C-O 3.15Å; V348-W362 WeakPolarHBondContact CA-O 3.45Å; V348-C363 HydrophobicContact CG2-CB 4.46Å; V348-R1589 PolarHBondContact O-NH2 2.94Å; V348-R1589 VanDerWaalsContact O-NH2 3.12Å
349	F	94.8	Very high	88.7	Confident	9 Å²	9	52 Å²	52	4%	0.039	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	160.8	173.3	-65.2	-95.6	0	0	0	110.2	K335 E338 E339 T347 W362 E364	K335-F349 VanDerWaalsContact CE-CG 3.41Å; K335-F349 HydrophobicContact CG-CB 4.18Å; K335-F349 HydrophobicContact CG-CG 4.45Å; E338-F349 CarbonylContact O-C 3.44Å; E339-F349 HydrophobicContact CB-CD1 4.45Å; E339-F349 HydrophobicContact CB-CE1 4.46Å; E339-F349 HydrophobicContact CG-CD1 3.95Å; E339-F349 HydrophobicContact CG-CE1 3.64Å; E339-F349 HydrophobicContact CG-CZ 4.06Å; T347-F349 HydrophobicContact CG2-CD2 3.85Å; T347-F349 HydrophobicContact CG2-CE2 3.29Å; T347-F349 HydrophobicContact CG2-CZ 3.7Å; F349-W362 HydrophobicContact CB-CB 4.33Å; F349-W362 PolarHBondContact N-O 3.49Å; F349-W362 PolarHBondContact O-N 3.14Å; F349-E364 HydrophobicContact CD2-CG 4.4Å; F349-E364 HydrophobicContact CE2-CG 4.41Å; F349-E364 WeakPolarHBondContact CE2-OE2 3.47Å
350	R	96.1	Very high	88.8	Confident	64 Å²	64	50.3 Å²	50.3	24%	0.242	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	138.8	165.7	-174.7	178.6	162.5	-150.5	-16.7	109.2	E322 F336 E338 L340 L418	E322-R350 IonicContact OE1-CZ 3.68Å; E322-R350 IonicContact OE1-NH1 3.7Å; E322-R350 IonicContact OE1-NH2 2.74Å; E322-R350 PolarHBondContact OE1-NH2 3.43Å; F336-R350 HydrophobicContact CD2-CG 4.31Å; F336-R350 PolarHBondContact N-O 2.94Å; E338-R350 HydrophobicContact CB-CB 3.95Å; E338-R350 HydrophobicContact CG-CB 4.38Å; E338-R350 PolarHBondContact O-N 2.96Å; E338-R350 WeakPolarHBondContact OE2-CD 3.27Å; E338-R350 IonicContact OE2-CZ 2.93Å; E338-R350 IonicContact OE2-NE 3.73Å; E338-R350 IonicContact OE2-NH1 3.26Å; E338-R350 PolarHBondContact OE2-NH1 2.91Å; L340-R350 HydrophobicContact CD1-CB 3.96Å; L340-R350 HydrophobicContact CD2-CB 4.34Å; L340-R350 HydrophobicContact CG-CB 4.16Å; R350-L418 HydrophobicContact CG-CD2 4.45Å
351	G	96.2	Very high	89	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	178.7	168.6	0	0	0	0	0	112.3	L334 A359 V360	L334-G351 CarbonylContact O-C 3.59Å; L334-G351 WeakPolarHBondContact O-CA 3.29Å; G351-A359 WeakPolarHBondContact O-CA 3.38Å; G351-V360 PolarHBondContact N-O 2.98Å; G351-V360 PolarHBondContact O-N 3.37Å
352	L	96.9	Very high	89.5	Confident	53 Å²	53	46.4 Å²	46.4	28%	0.277	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.5	175	176.9	68.1	0	0	0	109.1	F333 L334 F336 G357	F333-L352 WeakPolarHBondContact CA-O 3.43Å; L334-L352 PolarHBondContact N-O 2.82Å; L334-L352 PolarHBondContact O-N 3.27Å; F336-L352 HydrophobicContact CE2-CB 3.64Å; F336-L352 HydrophobicContact CZ-CB 3.88Å; F336-L352 HydrophobicContact CZ-CD2 4.42Å; L352-G357 WeakPolarHBondContact CD1-O 3.41Å
353	D	97.3	Very high	89.9	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	110	164.5	178.1	11.6	0	0	0	109.2	R332 F333 E355 T356 G357 V358 V360	R332-D353 WeakPolarHBondContact CG-OD1 3.34Å; R332-D353 IonicContact CZ-OD1 3.81Å; R332-D353 IonicContact CZ-OD2 2.81Å; R332-D353 IonicContact NE-OD1 3.25Å; R332-D353 PolarHBondContact NE-OD1 2.93Å; R332-D353 IonicContact NE-OD2 2.7Å; R332-D353 PolarHBondContact NE-OD2 2.78Å; R332-D353 IonicContact NH2-OD1 2.73Å; R332-D353 IonicContact NH2-OD2 3.89Å; R332-D353 PolarHBondContact NH2-OD2 2.89Å; F333-D353 HydrophobicContact CD1-CB 3.86Å; F333-D353 HydrophobicContact CE1-CB 3.82Å; D353-E355 VanDerWaalsContact C-N 3.29Å; D353-E355 PolarHBondContact O-N 2.99Å; D353-E355 PolarHBondContact OD1-N 2.65Å; D353-T356 WeakPolarHBondContact CB-OG1 3.35Å; D353-T356 PolarHBondContact O-N 3.43Å; D353-T356 VanDerWaalsContact OD2-CG2 3.27Å; D353-T356 WeakPolarHBondContact OD2-CG2 3.37Å; D353-T356 PolarHBondContact OD2-OG1 2.78Å; D353-G357 WeakPolarHBondContact O-CA 3.03Å; D353-G357 PolarHBondContact O-N 2.74Å; D353-V358 PolarHBondContact N-O 3.03Å; D353-V360 HydrophobicContact CB-CG1 4.02Å
354	T	95.8	Very high	90.7	Very high	72 Å²	72	41.4 Å²	41.4	44%	0.442	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-18.7	-175.7	59.8	0	0	0	0	113.8	R332 L334	R332-T354 WeakPolarHBondContact O-CB 3.32Å; R332-T354 WeakPolarHBondContact O-CG2 3.39Å; R332-T354 PolarHBondContact O-N 3.32Å; R332-T354 PolarHBondContact O-OG1 2.95Å; L334-T354 HydrophobicContact CD1-CG2 3.57Å; L334-T354 HydrophobicContact CG-CG2 3.74Å
355	E	95.8	Very high	91.5	Very high	130 Å²	130	37.3 Å²	37.3	61%	0.607	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-30.2	174.9	-74.3	174.3	-159.2	0	0	112.3	R332 D353	R332-E355 VanDerWaalsContact CD-CD 3.44Å; R332-E355 VanDerWaalsContact CD-OE1 3.31Å; R332-E355 WeakPolarHBondContact CD-OE1 3.34Å; R332-E355 HydrophobicContact CG-CB 4.47Å; R332-E355 HydrophobicContact CG-CG 3.98Å; R332-E355 IonicContact CZ-OE2 3.23Å; R332-E355 IonicContact NE-OE1 2.89Å; R332-E355 IonicContact NE-OE2 3.87Å; R332-E355 PolarHBondContact NE-OE2 3.15Å; R332-E355 IonicContact NH1-OE1 2.69Å; R332-E355 IonicContact NH1-OE2 3.1Å; R332-E355 PolarHBondContact NH1-OE2 3.21Å; R332-E355 IonicContact NH2-OE2 2.76Å; D353-E355 VanDerWaalsContact C-N 3.29Å; D353-E355 PolarHBondContact O-N 2.99Å; D353-E355 PolarHBondContact OD1-N 2.65Å
356	T	95.2	Very high	91.8	Very high	79 Å²	79	38.4 Å²	38.4	49%	0.485	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-14.6	-174	63	0	0	0	0	114.2	D353 V358	D353-T356 WeakPolarHBondContact CB-OG1 3.35Å; D353-T356 PolarHBondContact O-N 3.43Å; D353-T356 VanDerWaalsContact OD2-CG2 3.27Å; D353-T356 WeakPolarHBondContact OD2-CG2 3.37Å; D353-T356 PolarHBondContact OD2-OG1 2.78Å; T356-V358 PolarHBondContact O-N 3.06Å; T356-V358 WeakPolarHBondContact OG1-CB 3.35Å; T356-V358 PolarHBondContact OG1-N 2.91Å
357	G	93.9	Very high	91.1	Very high	56 Å²	56	36.6 Å²	36.6	58%	0.577	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	10.1	-171.4	0	0	0	0	0	113.9	L352 D353	L352-G357 WeakPolarHBondContact CD1-O 3.41Å; D353-G357 WeakPolarHBondContact O-CA 3.03Å; D353-G357 PolarHBondContact O-N 2.74Å
358	V	95	Very high	89.9	Confident	71 Å²	71	41 Å²	41	43%	0.43	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.5	-174.9	179.5	0	0	0	0	110.7	D353 T356	D353-V358 PolarHBondContact N-O 3.03Å; T356-V358 PolarHBondContact O-N 3.06Å; T356-V358 WeakPolarHBondContact OG1-CB 3.35Å; T356-V358 PolarHBondContact OG1-N 2.91Å
359	A	95.6	Very high	88.5	Confident	37 Å²	37	46.4 Å²	46.4	31%	0.306	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	134	173.5	0	0	0	0	0	111.1	G351 L418	G351-A359 WeakPolarHBondContact O-CA 3.38Å; A359-L418 HydrophobicContact CB-CD2 3.75Å; A359-L418 VanDerWaalsContact O-CB 3.3Å; A359-L418 WeakPolarHBondContact O-CB 3.35Å
360	V	96.2	Very high	86.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	162.5	-175.9	-65.8	0	0	0	0	111.3	F333 G351 D353 Y397 V415 T416	F333-V360 HydrophobicContact CD1-CG2 4.31Å; G351-V360 PolarHBondContact N-O 2.98Å; G351-V360 PolarHBondContact O-N 3.37Å; D353-V360 HydrophobicContact CB-CG1 4.02Å; V360-Y397 HydrophobicContact CG1-CD2 4.04Å; V360-Y397 HydrophobicContact CG1-CE2 3.74Å; V360-V415 HydrophobicContact CB-CG1 3.72Å; V360-V415 HydrophobicContact CG1-CG1 4.16Å; V360-V415 HydrophobicContact CG2-CG1 3.64Å; V360-T416 WeakPolarHBondContact CB-O 3.41Å
361	A	95.5	Very high	85.5	Confident	8 Å²	8	50.3 Å²	50.3	7%	0.066	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	119.2	169.8	0	0	0	0	0	109.1	V348 V415 T416 L418	V348-A361 HydrophobicContact CG1-CB 3.83Å; A361-V415 WeakPolarHBondContact O-CA 3.44Å; A361-T416 PolarHBondContact N-O 2.91Å; A361-T416 PolarHBondContact O-N 2.74Å; A361-L418 HydrophobicContact CB-CD1 4.33Å
362	W	94.5	Very high	84.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	106.6	177.9	177.2	-68.9	0	0	0	108.5	D326 F333 K335 V348 F349 E364 W400 V413	D326-W362 HydrophobicContact CB-CH2 4.18Å; D326-W362 HydrophobicContact CB-CZ2 3.98Å; D326-W362 WeakPolarHBondContact OD2-CZ2 3.45Å; F333-W362 HydrophobicContact CB-CE3 4.37Å; F333-W362 HydrophobicContact CB-CZ3 4.15Å; K335-W362 HydrophobicContact CB-CD2 3.74Å; K335-W362 HydrophobicContact CB-CE3 3.87Å; K335-W362 HydrophobicContact CB-CG 4.28Å; K335-W362 HydrophobicContact CB-CH2 3.97Å; K335-W362 HydrophobicContact CB-CZ2 3.89Å; K335-W362 HydrophobicContact CB-CZ3 3.98Å; K335-W362 HydrophobicContact CD-CD2 4.37Å; K335-W362 HydrophobicContact CD-CG 4.47Å; K335-W362 HydrophobicContact CD-CZ2 4.1Å; K335-W362 HydrophobicContact CG-CD2 3.97Å; K335-W362 HydrophobicContact CG-CG 4.02Å; K335-W362 HydrophobicContact CG-CZ2 4.37Å; V348-W362 CarbonylContact C-O 3.15Å; V348-W362 WeakPolarHBondContact CA-O 3.45Å; F349-W362 HydrophobicContact CB-CB 4.33Å; F349-W362 PolarHBondContact N-O 3.49Å; F349-W362 PolarHBondContact O-N 3.14Å; W362-E364 PolarHBondContact NE1-OE1 3.4Å; W362-W400 HydrophobicContact CE3-CH2 4.35Å; W362-W400 HydrophobicContact CE3-CZ2 4.36Å; W362-W400 HydrophobicContact CH2-CH2 4.27Å; W362-W400 AromaticContact CH2-CZ2 3.58Å; W362-W400 HydrophobicContact CH2-CZ2 3.58Å; W362-W400 AromaticContact CZ2-CZ2 3.98Å; W362-W400 HydrophobicContact CZ2-CZ2 3.98Å; W362-W400 AromaticContact CZ3-CH2 3.98Å; W362-W400 HydrophobicContact CZ3-CH2 3.98Å; W362-W400 AromaticContact CZ3-CZ2 3.76Å; W362-W400 HydrophobicContact CZ3-CZ2 3.76Å; W362-V413 HydrophobicContact CD2-CG1 3.78Å; W362-V413 HydrophobicContact CE3-CG1 4.39Å; W362-V413 HydrophobicContact CG-CG1 4.11Å; W362-V413 HydrophobicContact CZ2-CG1 3.97Å; W362-V413 HydrophobicContact CZ2-CG2 4.22Å
363	C	91.5	Very high	83.1	Confident	12 Å²	12	60.2 Å²	60.2	8%	0.081	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.3	-173	-59.9	0	0	0	0	111	T347 V348 V413 L414	T347-C363 CarbonylContact O-C 3.51Å; T347-C363 WeakPolarHBondContact O-CA 3.46Å; V348-C363 HydrophobicContact CG2-CB 4.46Å; C363-V413 CarbonylContact O-C 3.47Å; C363-V413 VanDerWaalsContact O-CA 3.32Å; C363-V413 WeakPolarHBondContact O-CA 3.41Å; C363-L414 HydrophobicContact CB-CB 4.15Å; C363-L414 PolarHBondContact N-O 3.44Å; C363-L414 PolarHBondContact O-N 2.69Å
364	E	87.4	Confident	81.7	Confident	27 Å²	27	63.8 Å²	63.8	13%	0.126	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.6	178.9	-56.1	-174.1	148.7	0	0	110.4	K335 K346 T347 F349 W362 Y411 I412 V413	K335-E364 WeakPolarHBondContact CE-OE1 3.42Å; K335-E364 IonicContact NZ-OE1 3.91Å; K335-E364 PolarHBondContact NZ-OE1 2.97Å; K335-E364 IonicContact NZ-OE2 2.6Å; K335-E364 PolarHBondContact NZ-OE2 3.45Å; K346-E364 CarbonylContact C-O 3.2Å; K346-E364 VanDerWaalsContact CA-O 3.3Å; K346-E364 WeakPolarHBondContact CA-O 3.37Å; T347-E364 PolarHBondContact N-O 3.3Å; T347-E364 PolarHBondContact O-N 2.88Å; F349-E364 HydrophobicContact CD2-CG 4.4Å; F349-E364 HydrophobicContact CE2-CG 4.41Å; F349-E364 WeakPolarHBondContact CE2-OE2 3.47Å; W362-E364 PolarHBondContact NE1-OE1 3.4Å; E364-Y411 HydrophobicContact CB-CD2 4.13Å; E364-Y411 HydrophobicContact CG-CD2 4.11Å; E364-Y411 HydrophobicContact CG-CE2 4.23Å; E364-Y411 WeakPolarHBondContact OE1-CE2 3.21Å; E364-I412 WeakPolarHBondContact CA-O 3.44Å; E364-V413 HydrophobicContact CG-CG2 4.44Å
365	L	79.4	Confident	80.6	Confident	12 Å²	12	62.3 Å²	62.3	6%	0.063	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.3	172.9	-70.9	95.4	0	0	0	111.1	F345 K346 E367 F378 Y411 I412 L414 L486	F345-L365 WeakPolarHBondContact O-CA 3.44Å; K346-L365 HydrophobicContact CB-CG 4.05Å; L365-E367 PolarHBondContact O-N 3.47Å; L365-F378 HydrophobicContact CD2-CE2 4.45Å; L365-Y411 CarbonylContact O-C 3.59Å; L365-Y411 WeakPolarHBondContact O-CA 3.34Å; L365-Y411 VanDerWaalsContact O-CB 3.29Å; L365-Y411 WeakPolarHBondContact O-CB 3.27Å; L365-I412 PolarHBondContact N-O 3.45Å; L365-I412 PolarHBondContact O-N 3.39Å; L365-L414 HydrophobicContact CD1-CD1 3.66Å; L365-L414 HydrophobicContact CD1-CD2 3.99Å; L365-L414 HydrophobicContact CD1-CG 4.41Å; L365-L486 HydrophobicContact CD2-CD2 3.89Å
366	Q	72.8	Confident	79.5	Confident	96 Å²	96	59.8 Å²	59.8	45%	0.449	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	116.3	-177.9	-65.2	-170.8	-10.9	0	0	111.4	F345 S368	F345-Q366 PolarHBondContact O-N 3.03Å; Q366-S368 VanDerWaalsContact C-N 3.27Å; Q366-S368 PolarHBondContact O-N 3.08Å
367	E	66.3	Low	78.2	Confident	16 Å²	16	59.3 Å²	59.3	8%	0.075	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-75.1	-14.9	-174	-158.2	-166.6	-103.6	0	0	113.5	L365 K369 L370 R375 K410	L365-E367 PolarHBondContact O-N 3.47Å; E367-K369 PolarHBondContact O-N 3.43Å; E367-L370 PolarHBondContact O-N 2.89Å; E367-R375 IonicContact OE1-CZ 2.96Å; E367-R375 VanDerWaalsContact OE1-CZ 3.24Å; E367-R375 IonicContact OE1-NE 3.79Å; E367-R375 IonicContact OE1-NH1 3.78Å; E367-R375 PolarHBondContact OE1-NH1 2.91Å; E367-R375 IonicContact OE1-NH2 2.63Å; E367-R375 IonicContact OE2-CZ 2.84Å; E367-R375 IonicContact OE2-NH1 2.78Å; E367-R375 PolarHBondContact OE2-NH1 2.7Å; E367-R375 IonicContact OE2-NH2 3.74Å; E367-R375 PolarHBondContact OE2-NH2 3.17Å; E367-K410 HydrophobicContact CB-CB 4.04Å; E367-K410 WeakPolarHBondContact CB-O 3.35Å; E367-K410 HydrophobicContact CG-CB 4.36Å; E367-K410 PolarHBondContact N-O 2.92Å; E367-K410 WeakPolarHBondContact OE2-CB 3.39Å; E367-K410 WeakPolarHBondContact OE2-CD 3.31Å
368	S	61.2	Low	77.3	Confident	100 Å²	100	57.5 Å²	57.5	70%	0.699	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-64.2	-1.4	-178.5	54.5	0	0	0	0	115.2	Q366	Q366-S368 VanDerWaalsContact C-N 3.27Å; Q366-S368 PolarHBondContact O-N 3.08Å
369	K	61.1	Low	76.4	Confident	131 Å²	131	57.8 Å²	57.8	57%	0.57	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-119.2	6.7	173	-60.8	-174.6	-179	178.9	0	113.6	F345 E367	F345-K369 HydrophobicContact CD1-CD 3.93Å; F345-K369 HydrophobicContact CE1-CD 3.67Å; E367-K369 PolarHBondContact O-N 3.43Å
370	L	62.3	Low	75.5	Confident	45 Å²	45	59.2 Å²	59.2	24%	0.236	29%	0.289	C	S	.	.			trans	-115.1	114.1	-175.2	-82.8	154.3	0	0	0	111.4	E367 E374 I412	E367-L370 PolarHBondContact O-N 2.89Å; L370-E374 HydrophobicContact CD2-CB 3.9Å; L370-I412 HydrophobicContact CD1-CD1 4.42Å
371	N	66.2	Low	74.5	Confident	110 Å²	110	60.1 Å²	60.1	59%	0.588	29%	0.293	S	S	*	.			trans	-72.1	163.3	179.6	-161	-4.1	0	0	0	111.6	T373 E374 R375	N371-T373 VanDerWaalsContact C-N 3.29Å; N371-T373 PolarHBondContact O-N 3.26Å; N371-E374 HydrophobicContact CB-CG 4.31Å; N371-E374 VanDerWaalsContact CB-OE2 3.23Å; N371-E374 WeakPolarHBondContact CB-OE2 3.48Å; N371-E374 PolarHBondContact N-OE2 3.11Å; N371-E374 PolarHBondContact O-N 2.96Å; N371-E374 VanDerWaalsContact O-N 3.11Å; N371-R375 PolarHBondContact O-N 3.41Å
372	K	74.3	Confident	73.8	Confident	171 Å²	171	59.8 Å²	59.8	74%	0.743	29%	0.29	S	S	*	.	H	α-helix	trans	-56.9	-39.1	-173.2	-168.3	177.8	179.9	-176.7	0	113	Q376	K372-Q376 PolarHBondContact O-N 3.01Å
373	T	68.7	Low	73.2	Confident	90 Å²	90	64.3 Å²	64.3	55%	0.552	31%	0.311	S	S	*	.	H	α-helix	trans	-71.8	-40.2	177.7	-46.8	0	0	0	0	112.4	N371 R375 Q376 R377	N371-T373 VanDerWaalsContact C-N 3.29Å; N371-T373 PolarHBondContact O-N 3.26Å; T373-R375 VanDerWaalsContact C-N 3.34Å; T373-Q376 PolarHBondContact O-N 3.1Å; T373-R377 PolarHBondContact O-N 2.83Å
374	E	68.3	Low	72.7	Confident	76 Å²	76	66.2 Å²	66.2	36%	0.355	32%	0.32	S	S	.	.	H	α-helix	trans	-66.6	-39.3	178.9	-60.9	170.1	144.6	0	0	110.6	L370 N371 Q376 R377 F378	L370-E374 HydrophobicContact CD2-CB 3.9Å; N371-E374 HydrophobicContact CB-CG 4.31Å; N371-E374 VanDerWaalsContact CB-OE2 3.23Å; N371-E374 WeakPolarHBondContact CB-OE2 3.48Å; N371-E374 PolarHBondContact N-OE2 3.11Å; N371-E374 PolarHBondContact O-N 2.96Å; N371-E374 VanDerWaalsContact O-N 3.11Å; E374-Q376 PolarHBondContact O-N 2.92Å; E374-R377 PolarHBondContact O-N 3.15Å; E374-F378 WeakPolarHBondContact O-CB 3.41Å; E374-F378 PolarHBondContact O-N 2.82Å
375	R	71.8	Confident	72.5	Confident	41 Å²	41	65.2 Å²	65.2	16%	0.155	32%	0.315	C	S	.	.	H	α-helix	trans	-63.1	-37.3	172.5	-165.2	-163.6	-46.1	-140.2	-12.2	113.1	E367 N371 T373 F378 R379 E401 I412	E367-R375 IonicContact OE1-CZ 2.96Å; E367-R375 VanDerWaalsContact OE1-CZ 3.24Å; E367-R375 IonicContact OE1-NE 3.79Å; E367-R375 IonicContact OE1-NH1 3.78Å; E367-R375 PolarHBondContact OE1-NH1 2.91Å; E367-R375 IonicContact OE1-NH2 2.63Å; E367-R375 IonicContact OE2-CZ 2.84Å; E367-R375 IonicContact OE2-NH1 2.78Å; E367-R375 PolarHBondContact OE2-NH1 2.7Å; E367-R375 IonicContact OE2-NH2 3.74Å; E367-R375 PolarHBondContact OE2-NH2 3.17Å; N371-R375 PolarHBondContact O-N 3.41Å; T373-R375 VanDerWaalsContact C-N 3.34Å; R375-F378 PolarHBondContact O-N 2.85Å; R375-R379 WeakPolarHBondContact O-CG 3.47Å; R375-R379 PolarHBondContact O-N 2.94Å; R375-R379 VanDerWaalsContact O-N 3.07Å; R375-E401 WeakPolarHBondContact CD-OE1 3.48Å; R375-E401 IonicContact NH1-OE2 3.5Å; R375-E401 PolarHBondContact NH1-OE2 3.03Å; R375-I412 HydrophobicContact CG-CD1 4.48Å
376	Q	73.7	Confident	72.9	Confident	78 Å²	78	66.2 Å²	66.2	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-66.3	-44.8	175	175.8	56.5	28.7	0	0	111.3	K372 T373 E374 R379 E380	K372-Q376 PolarHBondContact O-N 3.01Å; T373-Q376 PolarHBondContact O-N 3.1Å; E374-Q376 PolarHBondContact O-N 2.92Å; Q376-R379 PolarHBondContact O-N 3.35Å; Q376-E380 PolarHBondContact NE2-OE1 2.98Å; Q376-E380 PolarHBondContact O-N 3.05Å
377	R	67.9	Low	73.5	Confident	69 Å²	69	68 Å²	68	26%	0.26	33%	0.332	S	S	.	.	H	α-helix	trans	-56.4	-50.1	171.7	-73.4	171.4	167.6	171.8	-2.5	110.8	T373 E374 R379 E380 E381 K492 F494	T373-R377 PolarHBondContact O-N 2.83Å; E374-R377 PolarHBondContact O-N 3.15Å; R377-R379 PolarHBondContact O-N 2.96Å; R377-R379 VanDerWaalsContact O-N 3.16Å; R377-E380 PolarHBondContact O-N 2.86Å; R377-E381 WeakPolarHBondContact O-CB 3.33Å; R377-E381 WeakPolarHBondContact O-CG 3.4Å; R377-E381 PolarHBondContact O-N 2.99Å; R377-K492 PolarHBondContact NE-O 3.23Å; R377-K492 PolarHBondContact NH2-O 2.8Å; R377-F494 PolarHBondContact NH1-O 2.78Å; R377-F494 PolarHBondContact NH2-O 2.87Å
378	F	74.1	Confident	74.6	Confident	17 Å²	17	67.7 Å²	67.7	8%	0.075	33%	0.331	C	S	.	.	H	α-helix	trans	-52.9	-40.3	178.2	-164.1	-79.5	0	0	0	113	L365 E374 R375 A382 I412 L414 G485 L486	L365-F378 HydrophobicContact CD2-CE2 4.45Å; E374-F378 WeakPolarHBondContact O-CB 3.41Å; E374-F378 PolarHBondContact O-N 2.82Å; R375-F378 PolarHBondContact O-N 2.85Å; F378-A382 HydrophobicContact CD1-CB 4.16Å; F378-A382 HydrophobicContact CE1-CB 3.97Å; F378-A382 WeakPolarHBondContact O-CB 3.5Å; F378-A382 PolarHBondContact O-N 2.84Å; F378-I412 HydrophobicContact CD1-CD1 3.67Å; F378-I412 HydrophobicContact CD1-CG2 4.22Å; F378-I412 HydrophobicContact CE1-CB 4.41Å; F378-I412 HydrophobicContact CE1-CD1 4.01Å; F378-I412 HydrophobicContact CE1-CG2 3.81Å; F378-I412 HydrophobicContact CG-CD1 4.01Å; F378-L414 HydrophobicContact CE1-CD1 3.83Å; F378-L414 HydrophobicContact CE1-CG 4.47Å; F378-L414 HydrophobicContact CZ-CD1 3.8Å; F378-L414 HydrophobicContact CZ-CD2 3.94Å; F378-L414 HydrophobicContact CZ-CG 4.34Å; F378-G485 WeakPolarHBondContact CE2-O 3.38Å; F378-G485 WeakPolarHBondContact CZ-O 3.45Å; F378-L486 HydrophobicContact CE2-CD2 4.44Å
379	R	77	Confident	76.1	Confident	77 Å²	77	69.2 Å²	69.2	29%	0.291	33%	0.327	S	S	.	.	H	α-helix	trans	-67	-45.4	175.9	-72.8	-172.1	-65.9	-114	4.3	113.1	R375 Q376 R377 E381 E383 Y399 E401	R375-R379 WeakPolarHBondContact O-CG 3.47Å; R375-R379 PolarHBondContact O-N 2.94Å; R375-R379 VanDerWaalsContact O-N 3.07Å; Q376-R379 PolarHBondContact O-N 3.35Å; R377-R379 PolarHBondContact O-N 2.96Å; R377-R379 VanDerWaalsContact O-N 3.16Å; R379-E381 VanDerWaalsContact C-N 3.26Å; R379-E381 PolarHBondContact O-N 2.81Å; R379-E383 WeakPolarHBondContact O-CB 3.39Å; R379-E383 PolarHBondContact O-N 2.96Å; R379-Y399 WeakPolarHBondContact CA-OH 3.01Å; R379-Y399 WeakPolarHBondContact CB-OH 3.32Å; R379-Y399 HydrophobicContact CG-CE2 4.01Å; R379-Y399 PolarHBondContact O-OH 3.34Å; R379-E401 WeakPolarHBondContact CD-OE1 3.34Å; R379-E401 IonicContact CZ-OE1 2.7Å; R379-E401 IonicContact NE-OE1 3.52Å; R379-E401 IonicContact NH1-OE1 3.84Å; R379-E401 PolarHBondContact NH1-OE1 3.4Å; R379-E401 IonicContact NH1-OE2 2.76Å
380	E	75.7	Confident	77.7	Confident	68 Å²	68	65 Å²	65	32%	0.318	31%	0.309	S	S	.	.	H	α-helix	trans	-63.1	-36	176.7	-70.5	175.5	-138.3	0	0	111.9	Q376 R377 K492	Q376-E380 PolarHBondContact NE2-OE1 2.98Å; Q376-E380 PolarHBondContact O-N 3.05Å; R377-E380 PolarHBondContact O-N 2.86Å; E380-K492 IonicContact OE2-NZ 2.97Å; E380-K492 PolarHBondContact OE2-NZ 3.03Å
381	E	75	Confident	79.3	Confident	18 Å²	18	67.1 Å²	67.1	8%	0.084	33%	0.326	C	S	.	.	H	α-helix	trans	-76	-50	-179.1	-65.5	175.7	148.4	0	0	110.5	R377 R379 E383 M384 L385 T488 L489 S493	R377-E381 WeakPolarHBondContact O-CB 3.33Å; R377-E381 WeakPolarHBondContact O-CG 3.4Å; R377-E381 PolarHBondContact O-N 2.99Å; R379-E381 VanDerWaalsContact C-N 3.26Å; R379-E381 PolarHBondContact O-N 2.81Å; E381-E383 VanDerWaalsContact C-N 3.31Å; E381-E383 PolarHBondContact O-N 3.28Å; E381-M384 WeakPolarHBondContact O-CB 3.45Å; E381-M384 PolarHBondContact O-N 2.98Å; E381-M384 VanDerWaalsContact O-N 3.15Å; E381-L385 WeakPolarHBondContact O-CG 3.44Å; E381-L385 PolarHBondContact O-N 2.8Å; E381-L385 VanDerWaalsContact O-N 3.08Å; E381-T488 VanDerWaalsContact OE1-CA 3.27Å; E381-T488 WeakPolarHBondContact OE1-CA 2.78Å; E381-T488 VanDerWaalsContact OE1-CG2 3.26Å; E381-T488 WeakPolarHBondContact OE1-CG2 3.45Å; E381-T488 WeakPolarHBondContact OE2-CG2 3.46Å; E381-L489 HydrophobicContact CG-CD1 3.71Å; E381-L489 HydrophobicContact CG-CG 3.83Å; E381-L489 PolarHBondContact OE1-N 3.03Å; E381-S493 PolarHBondContact OE1-OG 3.32Å
382	A	81.1	Confident	80.7	Confident	2 Å²	2	62.5 Å²	62.5	2%	0.017	30%	0.301	C	S	.	.	H	α-helix	trans	-67.1	-25.2	179.1	0	0	0	0	0	114.1	F378 F396 Y399	F378-A382 HydrophobicContact CD1-CB 4.16Å; F378-A382 HydrophobicContact CE1-CB 3.97Å; F378-A382 WeakPolarHBondContact O-CB 3.5Å; F378-A382 PolarHBondContact O-N 2.84Å; A382-F396 HydrophobicContact CB-CZ 4.1Å; A382-F396 VanDerWaalsContact O-CE1 3.26Å; A382-F396 WeakPolarHBondContact O-CE1 3.35Å; A382-Y399 HydrophobicContact CB-CD1 3.37Å; A382-Y399 HydrophobicContact CB-CD2 4.26Å; A382-Y399 HydrophobicContact CB-CE1 3.64Å; A382-Y399 HydrophobicContact CB-CE2 4.5Å; A382-Y399 HydrophobicContact CB-CG 3.74Å
383	E	82.2	Confident	81.7	Confident	94 Å²	94	54.5 Å²	54.5	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-68.9	-44.5	170.7	-160.4	66.9	-159.1	0	0	110.6	R379 E381 L385 K386 Y399	R379-E383 WeakPolarHBondContact O-CB 3.39Å; R379-E383 PolarHBondContact O-N 2.96Å; E381-E383 VanDerWaalsContact C-N 3.31Å; E381-E383 PolarHBondContact O-N 3.28Å; E383-L385 VanDerWaalsContact C-N 3.26Å; E383-L385 PolarHBondContact O-N 3.28Å; E383-K386 WeakPolarHBondContact O-CB 3.36Å; E383-K386 PolarHBondContact O-N 2.9Å; E383-K386 IonicContact OE1-NZ 3.54Å; E383-K386 PolarHBondContact OE1-NZ 3.43Å; E383-K386 WeakPolarHBondContact OE2-CE 3.43Å; E383-K386 IonicContact OE2-NZ 2.7Å; E383-K386 PolarHBondContact OE2-NZ 2.98Å; E383-Y399 HydrophobicContact CB-CE1 4.23Å; E383-Y399 WeakPolarHBondContact OE2-CE1 3.24Å
384	M	80.7	Confident	82.9	Confident	52 Å²	52	50.9 Å²	50.9	26%	0.256	24%	0.244	S	C	.	.	H	α-helix	trans	-61.9	-33	175.8	-169	-174.8	-58.1	0	0	112.6	E381 K386 D387 P458 V460 L489	E381-M384 WeakPolarHBondContact O-CB 3.45Å; E381-M384 PolarHBondContact O-N 2.98Å; E381-M384 VanDerWaalsContact O-N 3.15Å; M384-K386 PolarHBondContact O-N 2.96Å; M384-D387 PolarHBondContact O-N 2.85Å; M384-P458 HydrophobicContact CE-CG 3.89Å; M384-V460 HydrophobicContact SD-CG2 3.99Å; M384-L489 HydrophobicContact CE-CD1 3.51Å; M384-L489 HydrophobicContact CE-CD2 3.84Å; M384-L489 HydrophobicContact CE-CG 4.34Å; M384-L489 HydrophobicContact SD-CD1 4.34Å; M384-L489 HydrophobicContact SD-CD2 3.63Å
385	L	83.7	Confident	84.1	Confident	7 Å²	7	49.7 Å²	49.7	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-30.3	175.2	-63.6	-179	0	0	0	112.6	E381 E383 D387 L388 F396 L484	E381-L385 WeakPolarHBondContact O-CG 3.44Å; E381-L385 PolarHBondContact O-N 2.8Å; E381-L385 VanDerWaalsContact O-N 3.08Å; E383-L385 VanDerWaalsContact C-N 3.26Å; E383-L385 PolarHBondContact O-N 3.28Å; L385-D387 PolarHBondContact O-N 2.84Å; L385-L388 HydrophobicContact CD2-CD1 3.58Å; L385-L388 WeakPolarHBondContact O-CB 3.43Å; L385-L388 PolarHBondContact O-N 3.17Å; L385-L388 VanDerWaalsContact O-N 3.09Å; L385-F396 HydrophobicContact CB-CB 4.17Å; L385-F396 HydrophobicContact CB-CD1 3.76Å; L385-F396 HydrophobicContact CB-CD2 3.93Å; L385-F396 HydrophobicContact CB-CE1 4Å; L385-F396 HydrophobicContact CB-CE2 4.16Å; L385-F396 HydrophobicContact CB-CG 3.71Å; L385-F396 HydrophobicContact CB-CZ 4.18Å; L385-F396 HydrophobicContact CD1-CD2 3.98Å; L385-F396 HydrophobicContact CD1-CE2 3.76Å; L385-F396 HydrophobicContact CD1-CZ 4.22Å; L385-L484 HydrophobicContact CD1-CB 4.43Å; L385-L484 VanDerWaalsContact CD1-O 3.31Å; L385-L484 WeakPolarHBondContact CD1-O 3.49Å; L385-L484 HydrophobicContact CD2-CB 3.95Å
386	K	87.5	Confident	85.1	Confident	33 Å²	33	48.3 Å²	48.3	14%	0.143	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-28.6	179.6	-59.5	-177.9	-166.8	179.9	0	113.1	E383 M384 R395 F396 D398	E383-K386 WeakPolarHBondContact O-CB 3.36Å; E383-K386 PolarHBondContact O-N 2.9Å; E383-K386 IonicContact OE1-NZ 3.54Å; E383-K386 PolarHBondContact OE1-NZ 3.43Å; E383-K386 WeakPolarHBondContact OE2-CE 3.43Å; E383-K386 IonicContact OE2-NZ 2.7Å; E383-K386 PolarHBondContact OE2-NZ 2.98Å; M384-K386 PolarHBondContact O-N 2.96Å; K386-R395 PolarHBondContact O-NH1 3.41Å; K386-R395 PolarHBondContact O-NH2 3.32Å; K386-F396 HydrophobicContact CB-CD1 4.46Å; K386-F396 HydrophobicContact CG-CD1 3.83Å; K386-F396 HydrophobicContact CG-CE1 3.81Å; K386-D398 WeakPolarHBondContact CE-OD1 3.43Å; K386-D398 IonicContact NZ-OD1 3.73Å; K386-D398 PolarHBondContact NZ-OD1 2.86Å
387	D	85.2	Confident	86	Confident	134 Å²	134	47.5 Å²	47.5	72%	0.717	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-7.4	178.4	-69.6	-28.5	0	0	0	113.4	M384 L385 Q389	M384-D387 PolarHBondContact O-N 2.85Å; L385-D387 PolarHBondContact O-N 2.84Å; D387-Q389 PolarHBondContact O-N 3.16Å
388	L	88.7	Confident	87.1	Confident	8 Å²	8	45.7 Å²	45.7	4%	0.042	22%	0.221	C	C	.	.			trans	-73.8	104.1	179.7	-59.9	-174	0	0	0	111.7	L385 R395 F452 L453 R456 L484	L385-L388 HydrophobicContact CD2-CD1 3.58Å; L385-L388 WeakPolarHBondContact O-CB 3.43Å; L385-L388 PolarHBondContact O-N 3.17Å; L385-L388 VanDerWaalsContact O-N 3.09Å; L388-R395 PolarHBondContact O-NH1 3.46Å; L388-F452 HydrophobicContact CB-CE1 4.16Å; L388-F452 HydrophobicContact CD2-CE1 3.91Å; L388-F452 HydrophobicContact CD2-CZ 4.27Å; L388-L453 HydrophobicContact CD1-CD2 3.82Å; L388-R456 HydrophobicContact CD2-CG 3.82Å; L388-L484 HydrophobicContact CD1-CD1 4.17Å
389	Q	93.1	Very high	87.8	Confident	132 Å²	132	46.5 Å²	46.5	62%	0.617	22%	0.224	S	C	*	.			trans	-123	110.1	174.7	-62.3	-167.8	44	0	0	110.7	D387 R395 F452	D387-Q389 PolarHBondContact O-N 3.16Å; Q389-R395 VanDerWaalsContact CG-CZ 3.48Å; Q389-F452 WeakPolarHBondContact O-CE2 3.39Å; Q389-F452 WeakPolarHBondContact O-CZ 3.47Å
390	H	95.6	Very high	88.4	Confident	42 Å²	42	43.7 Å²	43.7	19%	0.194	21%	0.213	C	C	.	.			trans	-153.8	138.7	175.9	-179.3	-99.7	0	0	0	109.7	N392 I393 F452	H390-N392 PolarHBondContact ND1-N 3.29Å; H390-N392 PolarHBondContact O-N 3.41Å; H390-I393 HydrophobicContact CB-CB 4.2Å; H390-I393 HydrophobicContact CB-CG1 3.84Å; H390-I393 PolarHBondContact O-N 3.43Å; H390-F452 HydrophobicContact CB-CB 4.37Å; H390-F452 HydrophobicContact CB-CD1 3.62Å; H390-F452 HydrophobicContact CB-CD2 3.85Å; H390-F452 HydrophobicContact CB-CE1 3.75Å; H390-F452 HydrophobicContact CB-CE2 3.97Å; H390-F452 HydrophobicContact CB-CG 3.68Å; H390-F452 HydrophobicContact CB-CZ 3.92Å; H390-F452 AromaticContact CD2-CD2 3.81Å; H390-F452 AromaticContact CD2-CG 3.84Å; H390-F452 AromaticContact CG-CG 3.72Å
391	P	95	Very high	88.9	Confident	91 Å²	91	42.8 Å²	42.8	59%	0.591	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.1	-175.1	22.5	-35.8	0	0	0	115	K480	P391-K480 WeakPolarHBondContact O-CE 3.47Å; P391-K480 WeakPolarHBondContact O-CG 3.19Å
392	N	96.5	Very high	89.5	Confident	12 Å²	12	43.2 Å²	43.2	6%	0.064	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	19	175.9	-53.5	116.9	0	0	0	113.9	H390 Q445 V479 K480 I481	H390-N392 PolarHBondContact ND1-N 3.29Å; H390-N392 PolarHBondContact O-N 3.41Å; N392-Q445 HydrophobicContact CB-CB 4.49Å; N392-Q445 VanDerWaalsContact CB-O 3.26Å; N392-Q445 WeakPolarHBondContact CB-O 3.38Å; N392-Q445 WeakPolarHBondContact ND2-CB 3.18Å; N392-Q445 WeakPolarHBondContact ND2-CG 3.32Å; N392-Q445 PolarHBondContact ND2-OE1 3.49Å; N392-Q445 VanDerWaalsContact ND2-OE1 3.17Å; N392-V479 WeakPolarHBondContact CA-O 3.44Å; N392-V479 PolarHBondContact ND2-O 3.25Å; N392-K480 WeakPolarHBondContact O-CA 3.47Å; N392-I481 PolarHBondContact O-N 3.02Å
393	I	95.2	Very high	89.5	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-118.8	141.3	169.3	-59.4	-61	0	0	0	108	H390 R395 F452 L453 I481 L484	H390-I393 HydrophobicContact CB-CB 4.2Å; H390-I393 HydrophobicContact CB-CG1 3.84Å; H390-I393 PolarHBondContact O-N 3.43Å; I393-R395 PolarHBondContact O-N 3.28Å; I393-F452 HydrophobicContact CG1-CD1 4.06Å; I393-F452 HydrophobicContact CG1-CE1 4.48Å; I393-L453 HydrophobicContact CD1-CD1 3.83Å; I393-L453 HydrophobicContact CD1-CD2 4.17Å; I393-L453 HydrophobicContact CD1-CG 3.94Å; I393-I481 CarbonylContact C-O 3.51Å; I393-I481 WeakPolarHBondContact CA-O 3.35Å; I393-I481 HydrophobicContact CD1-CB 3.99Å; I393-I481 HydrophobicContact CD1-CD1 4.25Å; I393-I481 HydrophobicContact CD1-CG1 4.42Å; I393-L484 HydrophobicContact CG2-CD1 3.56Å
394	V	93.8	Very high	89.3	Confident	13 Å²	13	43.7 Å²	43.7	8%	0.079	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-68.6	124.1	172.2	176.2	0	0	0	0	108.2	F396 E417 M419 F471 K480 I481	V394-F396 PolarHBondContact O-N 2.86Å; V394-E417 HydrophobicContact CG1-CB 3.94Å; V394-M419 HydrophobicContact CG1-CG 4.23Å; V394-M419 HydrophobicContact CG2-CG 3.81Å; V394-M419 HydrophobicContact CG2-SD 4.17Å; V394-F471 HydrophobicContact CG2-CD2 3.91Å; V394-F471 HydrophobicContact CG2-CG 4.49Å; V394-K480 HydrophobicContact CG2-CB 3.72Å; V394-I481 PolarHBondContact N-O 3.12Å
395	R	93.2	Very high	88.8	Confident	52 Å²	52	50.6 Å²	50.6	20%	0.196	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-63.4	125	-176.2	-176.8	71.2	-171.4	115.1	12.2	110.5	K386 L388 Q389 I393 Y397 T416 E417	K386-R395 PolarHBondContact O-NH1 3.41Å; K386-R395 PolarHBondContact O-NH2 3.32Å; L388-R395 PolarHBondContact O-NH1 3.46Å; Q389-R395 VanDerWaalsContact CG-CZ 3.48Å; I393-R395 PolarHBondContact O-N 3.28Å; R395-Y397 HydrophobicContact CB-CE1 4.39Å; R395-Y397 HydrophobicContact CG-CD1 3.92Å; R395-Y397 HydrophobicContact CG-CE1 3.53Å; R395-T416 CarbonylContact O-C 3.55Å; R395-T416 VanDerWaalsContact O-CA 3.25Å; R395-T416 WeakPolarHBondContact O-CA 3.45Å; R395-T416 WeakPolarHBondContact O-CB 3.24Å; R395-E417 HydrophobicContact CB-CB 4.02Å; R395-E417 PolarHBondContact N-OE2 3.23Å; R395-E417 VanDerWaalsContact N-OE2 3.12Å; R395-E417 PolarHBondContact O-N 2.88Å
396	F	91.9	Very high	88.2	Confident	11 Å²	11	54.3 Å²	54.3	5%	0.048	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	129.6	167.3	-167.5	-86.4	0	0	0	108.5	A382 L385 K386 V394 Y399 L414 T416	A382-F396 HydrophobicContact CB-CZ 4.1Å; A382-F396 VanDerWaalsContact O-CE1 3.26Å; A382-F396 WeakPolarHBondContact O-CE1 3.35Å; L385-F396 HydrophobicContact CB-CB 4.17Å; L385-F396 HydrophobicContact CB-CD1 3.76Å; L385-F396 HydrophobicContact CB-CD2 3.93Å; L385-F396 HydrophobicContact CB-CE1 4Å; L385-F396 HydrophobicContact CB-CE2 4.16Å; L385-F396 HydrophobicContact CB-CG 3.71Å; L385-F396 HydrophobicContact CB-CZ 4.18Å; L385-F396 HydrophobicContact CD1-CD2 3.98Å; L385-F396 HydrophobicContact CD1-CE2 3.76Å; L385-F396 HydrophobicContact CD1-CZ 4.22Å; K386-F396 HydrophobicContact CB-CD1 4.46Å; K386-F396 HydrophobicContact CG-CD1 3.83Å; K386-F396 HydrophobicContact CG-CE1 3.81Å; V394-F396 PolarHBondContact O-N 2.86Å; F396-Y399 HydrophobicContact CE1-CD1 4.35Å; F396-Y399 HydrophobicContact CZ-CD1 4.47Å; F396-L414 HydrophobicContact CE2-CB 4.04Å; F396-L414 HydrophobicContact CE2-CD2 3.84Å; F396-L414 HydrophobicContact CE2-CG 3.88Å; F396-L414 HydrophobicContact CZ-CB 4.32Å; F396-L414 HydrophobicContact CZ-CD2 4.37Å; F396-L414 HydrophobicContact CZ-CG 3.99Å; F396-T416 HydrophobicContact CD2-CG2 3.86Å
397	Y	92.6	Very high	87.4	Confident	62 Å²	62	55.2 Å²	55.2	24%	0.243	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-54.5	-175.7	-65.3	-67.8	0	0	0	112.2	V360 R395 V415 E417	V360-Y397 HydrophobicContact CG1-CD2 4.04Å; V360-Y397 HydrophobicContact CG1-CE2 3.74Å; R395-Y397 HydrophobicContact CB-CE1 4.39Å; R395-Y397 HydrophobicContact CG-CD1 3.92Å; R395-Y397 HydrophobicContact CG-CE1 3.53Å; Y397-V415 HydrophobicContact CD2-CG1 4.18Å; Y397-V415 PolarHBondContact N-O 3.03Å; Y397-E417 HydrophobicContact CE2-CB 4.24Å
398	D	91.7	Very high	86.7	Confident	31 Å²	31	57.2 Å²	57.2	17%	0.166	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	168.6	-176.1	-161	12.4	0	0	0	111.5	F333 K386 W400 V415	F333-D398 HydrophobicContact CE2-CB 3.76Å; F333-D398 HydrophobicContact CZ-CB 4.42Å; K386-D398 WeakPolarHBondContact CE-OD1 3.43Å; K386-D398 IonicContact NZ-OD1 3.73Å; K386-D398 PolarHBondContact NZ-OD1 2.86Å; D398-W400 HydrophobicContact CB-CZ3 4.37Å; D398-V415 PolarHBondContact O-N 2.68Å
399	Y	89.3	Confident	86	Confident	34 Å²	34	65 Å²	65	13%	0.133	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	156.1	169.2	84.9	-89.4	0	0	0	112	R379 A382 E383 F396 I412 V413	R379-Y399 WeakPolarHBondContact CA-OH 3.01Å; R379-Y399 WeakPolarHBondContact CB-OH 3.32Å; R379-Y399 HydrophobicContact CG-CE2 4.01Å; R379-Y399 PolarHBondContact O-OH 3.34Å; A382-Y399 HydrophobicContact CB-CD1 3.37Å; A382-Y399 HydrophobicContact CB-CD2 4.26Å; A382-Y399 HydrophobicContact CB-CE1 3.64Å; A382-Y399 HydrophobicContact CB-CE2 4.5Å; A382-Y399 HydrophobicContact CB-CG 3.74Å; E383-Y399 HydrophobicContact CB-CE1 4.23Å; E383-Y399 WeakPolarHBondContact OE2-CE1 3.24Å; F396-Y399 HydrophobicContact CE1-CD1 4.35Å; F396-Y399 HydrophobicContact CZ-CD1 4.47Å; Y399-I412 HydrophobicContact CD2-CG2 4.14Å; Y399-V413 CarbonylContact C-O 3.54Å; Y399-V413 WeakPolarHBondContact CA-O 3.33Å; Y399-V413 VanDerWaalsContact CB-O 3.3Å; Y399-V413 WeakPolarHBondContact CB-O 3.08Å
400	W	89	Confident	85.3	Confident	18 Å²	18	63.9 Å²	63.9	7%	0.068	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	150.7	168.4	58.3	89.1	0	0	0	113	K329 F333 W362 D398 V413 V415	K329-W400 HydrophobicContact CD-CB 4.19Å; K329-W400 HydrophobicContact CD-CG 4.32Å; K329-W400 HydrophobicContact CG-CG 4.35Å; F333-W400 HydrophobicContact CB-CH2 4.34Å; F333-W400 HydrophobicContact CD2-CH2 4.09Å; F333-W400 AromaticContact CD2-CZ3 3.93Å; F333-W400 HydrophobicContact CD2-CZ3 3.93Å; W362-W400 HydrophobicContact CE3-CH2 4.35Å; W362-W400 HydrophobicContact CE3-CZ2 4.36Å; W362-W400 HydrophobicContact CH2-CH2 4.27Å; W362-W400 AromaticContact CH2-CZ2 3.58Å; W362-W400 HydrophobicContact CH2-CZ2 3.58Å; W362-W400 AromaticContact CZ2-CZ2 3.98Å; W362-W400 HydrophobicContact CZ2-CZ2 3.98Å; W362-W400 AromaticContact CZ3-CH2 3.98Å; W362-W400 HydrophobicContact CZ3-CH2 3.98Å; W362-W400 AromaticContact CZ3-CZ2 3.76Å; W362-W400 HydrophobicContact CZ3-CZ2 3.76Å; D398-W400 HydrophobicContact CB-CZ3 4.37Å; W400-V413 HydrophobicContact CD2-CB 4.18Å; W400-V413 HydrophobicContact CH2-CB 4.43Å; W400-V413 HydrophobicContact CH2-CG1 3.82Å; W400-V413 HydrophobicContact CZ2-CB 3.78Å; W400-V413 HydrophobicContact CZ2-CG1 3.44Å; W400-V413 VanDerWaalsContact CZ2-CG1 3.44Å; W400-V413 HydrophobicContact CZ2-CG2 4.27Å; W400-V413 PolarHBondContact N-O 3.01Å; W400-V413 PolarHBondContact O-N 2.91Å; W400-V415 HydrophobicContact CH2-CG2 3.42Å; W400-V415 VanDerWaalsContact CH2-CG2 3.42Å; W400-V415 HydrophobicContact CZ3-CG2 3.62Å
401	E	86.4	Confident	84.7	Confident	49 Å²	49	63.4 Å²	63.4	23%	0.229	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	130.6	162.7	-77.3	171	-128	0	0	110.2	K329 R375 R379 I412	K329-E401 WeakPolarHBondContact CE-O 3.36Å; K329-E401 PolarHBondContact NZ-O 2.96Å; R375-E401 WeakPolarHBondContact CD-OE1 3.48Å; R375-E401 IonicContact NH1-OE2 3.5Å; R375-E401 PolarHBondContact NH1-OE2 3.03Å; R379-E401 WeakPolarHBondContact CD-OE1 3.34Å; R379-E401 IonicContact CZ-OE1 2.7Å; R379-E401 IonicContact NE-OE1 3.52Å; R379-E401 IonicContact NH1-OE1 3.84Å; R379-E401 PolarHBondContact NH1-OE1 3.4Å; R379-E401 IonicContact NH1-OE2 2.76Å; E401-I412 HydrophobicContact CG-CG1 4.29Å
402	S	86.7	Confident	84.2	Confident	27 Å²	27	59.1 Å²	59.1	19%	0.189	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	171.9	173.2	-162	0	0	0	0	110.7	K410 Y411	S402-K410 WeakPolarHBondContact O-CA 3.43Å; S402-Y411 PolarHBondContact N-O 2.83Å; S402-Y411 PolarHBondContact O-N 3.24Å; S402-Y411 PolarHBondContact OG-OH 2.67Å
403	A	82.1	Confident	83.8	Confident	45 Å²	45	58.6 Å²	58.6	37%	0.372	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	146.5	174.8	0	0	0	0	0	110.5	R409 K410	A403-R409 CarbonylContact C-O 3.33Å; A403-R409 VanDerWaalsContact CA-O 3.25Å; A403-R409 WeakPolarHBondContact CA-O 3.15Å; A403-R409 WeakPolarHBondContact CB-O 3.45Å; A403-K410 HydrophobicContact CB-CG 4.19Å
404	D	77.2	Confident	83.5	Confident	61 Å²	61	58.7 Å²	58.7	33%	0.326	30%	0.297	S	S	.	.			trans	-55.5	153.7	174.3	-64.9	22.6	0	0	0	109.7	C406 G407 R409	D404-C406 PolarHBondContact O-N 2.99Å; D404-G407 PolarHBondContact O-N 2.88Å; D404-R409 HydrophobicContact CB-CB 4.46Å; D404-R409 PolarHBondContact N-O 3.48Å; D404-R409 WeakPolarHBondContact OD1-CB 3.43Å; D404-R409 WeakPolarHBondContact OD2-CD 3.02Å
405	L	70.2	Confident	83.5	Confident	196 Å²	196	58 Å²	58	100%	1.026	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-19.1	178.1	-66.8	169.1	0	0	0	114.7
406	C	71	Confident	83.6	Confident	85 Å²	85	56.9 Å²	56.9	57%	0.574	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	3.6	177.7	-156.3	0	0	0	0	113.9	D404 K408	D404-C406 PolarHBondContact O-N 2.99Å; C406-K408 HydrophobicContact CB-CD 4.39Å; C406-K408 WeakPolarHBondContact O-CG 3.42Å; C406-K408 PolarHBondContact O-N 2.68Å; C406-K408 VanDerWaalsContact SG-CE 3.54Å; C406-K408 PolarHBondContact SG-NZ 3.44Å
407	G	71.1	Confident	83.7	Confident	52 Å²	52	58.3 Å²	58.3	54%	0.536	30%	0.299	S	S	.	.	S	Bend	trans	67.5	-14.9	-178.7	0	0	0	0	0	116.5	D404 R409	D404-G407 PolarHBondContact O-N 2.88Å; G407-R409 VanDerWaalsContact C-N 3.32Å; G407-R409 PolarHBondContact O-N 3.39Å
408	K	71.5	Confident	83.7	Confident	177 Å²	177	57.2 Å²	57.2	77%	0.77	30%	0.297	S	S	*	.	S	Bend	trans	-71.9	-16.5	-170.9	-72.5	164.4	-171.7	163.3	0	115.3	C406	C406-K408 HydrophobicContact CB-CD 4.39Å; C406-K408 WeakPolarHBondContact O-CG 3.42Å; C406-K408 PolarHBondContact O-N 2.68Å; C406-K408 VanDerWaalsContact SG-CE 3.54Å; C406-K408 PolarHBondContact SG-NZ 3.44Å
409	R	73.4	Confident	83.8	Confident	170 Å²	170	56.9 Å²	56.9	64%	0.642	30%	0.295	S	S	*	.			trans	-132.5	148.6	173.1	-70.1	176.3	176.4	162.8	-0.7	109.2	A403 D404 G407	A403-R409 CarbonylContact C-O 3.33Å; A403-R409 VanDerWaalsContact CA-O 3.25Å; A403-R409 WeakPolarHBondContact CA-O 3.15Å; A403-R409 WeakPolarHBondContact CB-O 3.45Å; D404-R409 HydrophobicContact CB-CB 4.46Å; D404-R409 PolarHBondContact N-O 3.48Å; D404-R409 WeakPolarHBondContact OD1-CB 3.43Å; D404-R409 WeakPolarHBondContact OD2-CD 3.02Å; G407-R409 VanDerWaalsContact C-N 3.32Å; G407-R409 PolarHBondContact O-N 3.39Å
410	K	77.8	Confident	83.8	Confident	110 Å²	110	59.1 Å²	59.1	48%	0.478	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	151.7	172.2	-68.7	177.3	177.7	-176.6	0	108.7	E367 S402 A403	E367-K410 HydrophobicContact CB-CB 4.04Å; E367-K410 WeakPolarHBondContact CB-O 3.35Å; E367-K410 HydrophobicContact CG-CB 4.36Å; E367-K410 PolarHBondContact N-O 2.92Å; E367-K410 WeakPolarHBondContact OE2-CB 3.39Å; E367-K410 WeakPolarHBondContact OE2-CD 3.31Å; S402-K410 WeakPolarHBondContact O-CA 3.43Å; A403-K410 HydrophobicContact CB-CG 4.19Å
411	Y	82.5	Confident	83.9	Confident	32 Å²	32	60.8 Å²	60.8	13%	0.125	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	152.6	177.9	57.4	-83	0	0	0	109.4	D326 E364 L365 S402 V413	D326-Y411 PolarHBondContact OD2-OH 3.14Å; D326-Y411 VanDerWaalsContact OD2-OH 3.08Å; E364-Y411 HydrophobicContact CB-CD2 4.13Å; E364-Y411 HydrophobicContact CG-CD2 4.11Å; E364-Y411 HydrophobicContact CG-CE2 4.23Å; E364-Y411 WeakPolarHBondContact OE1-CE2 3.21Å; L365-Y411 CarbonylContact O-C 3.59Å; L365-Y411 WeakPolarHBondContact O-CA 3.34Å; L365-Y411 VanDerWaalsContact O-CB 3.29Å; L365-Y411 WeakPolarHBondContact O-CB 3.27Å; S402-Y411 PolarHBondContact N-O 2.83Å; S402-Y411 PolarHBondContact O-N 3.24Å; S402-Y411 PolarHBondContact OG-OH 2.67Å; Y411-V413 HydrophobicContact CD2-CG2 3.66Å; Y411-V413 HydrophobicContact CE2-CG2 3.46Å; Y411-V413 VanDerWaalsContact CE2-CG2 3.46Å
412	I	84.3	Confident	84.2	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	124.8	174.9	-41.5	-177	0	0	0	107.7	E364 L365 L370 R375 F378 Y399 E401 L414	E364-I412 WeakPolarHBondContact CA-O 3.44Å; L365-I412 PolarHBondContact N-O 3.45Å; L365-I412 PolarHBondContact O-N 3.39Å; L370-I412 HydrophobicContact CD1-CD1 4.42Å; R375-I412 HydrophobicContact CG-CD1 4.48Å; F378-I412 HydrophobicContact CD1-CD1 3.67Å; F378-I412 HydrophobicContact CD1-CG2 4.22Å; F378-I412 HydrophobicContact CE1-CB 4.41Å; F378-I412 HydrophobicContact CE1-CD1 4.01Å; F378-I412 HydrophobicContact CE1-CG2 3.81Å; F378-I412 HydrophobicContact CG-CD1 4.01Å; Y399-I412 HydrophobicContact CD2-CG2 4.14Å; E401-I412 HydrophobicContact CG-CG1 4.29Å; I412-L414 HydrophobicContact CB-CD1 4.28Å; I412-L414 HydrophobicContact CG2-CD1 3.85Å
413	V	89.6	Confident	84.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	131.8	173.9	-174.3	0	0	0	0	109	W362 C363 E364 Y399 W400 Y411 V415	W362-V413 HydrophobicContact CD2-CG1 3.78Å; W362-V413 HydrophobicContact CE3-CG1 4.39Å; W362-V413 HydrophobicContact CG-CG1 4.11Å; W362-V413 HydrophobicContact CZ2-CG1 3.97Å; W362-V413 HydrophobicContact CZ2-CG2 4.22Å; C363-V413 CarbonylContact O-C 3.47Å; C363-V413 VanDerWaalsContact O-CA 3.32Å; C363-V413 WeakPolarHBondContact O-CA 3.41Å; E364-V413 HydrophobicContact CG-CG2 4.44Å; Y399-V413 CarbonylContact C-O 3.54Å; Y399-V413 WeakPolarHBondContact CA-O 3.33Å; Y399-V413 VanDerWaalsContact CB-O 3.3Å; Y399-V413 WeakPolarHBondContact CB-O 3.08Å; W400-V413 HydrophobicContact CD2-CB 4.18Å; W400-V413 HydrophobicContact CH2-CB 4.43Å; W400-V413 HydrophobicContact CH2-CG1 3.82Å; W400-V413 HydrophobicContact CZ2-CB 3.78Å; W400-V413 HydrophobicContact CZ2-CG1 3.44Å; W400-V413 VanDerWaalsContact CZ2-CG1 3.44Å; W400-V413 HydrophobicContact CZ2-CG2 4.27Å; W400-V413 PolarHBondContact N-O 3.01Å; W400-V413 PolarHBondContact O-N 2.91Å; Y411-V413 HydrophobicContact CD2-CG2 3.66Å; Y411-V413 HydrophobicContact CE2-CG2 3.46Å; Y411-V413 VanDerWaalsContact CE2-CG2 3.46Å; V413-V415 HydrophobicContact CG1-CG2 4.44Å
414	L	89.5	Confident	85.1	Confident	6 Å²	6	56 Å²	56	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.3	172.3	-71.8	56.9	0	0	0	107.5	C363 L365 F378 F396 I412	C363-L414 HydrophobicContact CB-CB 4.15Å; C363-L414 PolarHBondContact N-O 3.44Å; C363-L414 PolarHBondContact O-N 2.69Å; L365-L414 HydrophobicContact CD1-CD1 3.66Å; L365-L414 HydrophobicContact CD1-CD2 3.99Å; L365-L414 HydrophobicContact CD1-CG 4.41Å; F378-L414 HydrophobicContact CE1-CD1 3.83Å; F378-L414 HydrophobicContact CE1-CG 4.47Å; F378-L414 HydrophobicContact CZ-CD1 3.8Å; F378-L414 HydrophobicContact CZ-CD2 3.94Å; F378-L414 HydrophobicContact CZ-CG 4.34Å; F396-L414 HydrophobicContact CE2-CB 4.04Å; F396-L414 HydrophobicContact CE2-CD2 3.84Å; F396-L414 HydrophobicContact CE2-CG 3.88Å; F396-L414 HydrophobicContact CZ-CB 4.32Å; F396-L414 HydrophobicContact CZ-CD2 4.37Å; F396-L414 HydrophobicContact CZ-CG 3.99Å; I412-L414 HydrophobicContact CB-CD1 4.28Å; I412-L414 HydrophobicContact CG2-CD1 3.85Å
415	V	93.4	Very high	85.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124	176.8	-171.9	0	0	0	0	110	F333 V360 A361 Y397 D398 W400 V413	F333-V415 HydrophobicContact CB-CG2 4.3Å; F333-V415 HydrophobicContact CD1-CG1 3.73Å; F333-V415 HydrophobicContact CD2-CB 4.43Å; F333-V415 HydrophobicContact CD2-CG1 4.43Å; F333-V415 HydrophobicContact CD2-CG2 3.97Å; F333-V415 HydrophobicContact CE1-CG1 3.93Å; F333-V415 HydrophobicContact CE2-CG2 4.47Å; F333-V415 HydrophobicContact CG-CB 4.43Å; F333-V415 HydrophobicContact CG-CG1 4Å; F333-V415 HydrophobicContact CG-CG2 4.03Å; F333-V415 HydrophobicContact CZ-CG1 4.37Å; V360-V415 HydrophobicContact CB-CG1 3.72Å; V360-V415 HydrophobicContact CG1-CG1 4.16Å; V360-V415 HydrophobicContact CG2-CG1 3.64Å; A361-V415 WeakPolarHBondContact O-CA 3.44Å; Y397-V415 HydrophobicContact CD2-CG1 4.18Å; Y397-V415 PolarHBondContact N-O 3.03Å; D398-V415 PolarHBondContact O-N 2.68Å; W400-V415 HydrophobicContact CH2-CG2 3.42Å; W400-V415 VanDerWaalsContact CH2-CG2 3.42Å; W400-V415 HydrophobicContact CZ3-CG2 3.62Å; V413-V415 HydrophobicContact CG1-CG2 4.44Å
416	T	93.9	Very high	86.8	Confident	28 Å²	28	52 Å²	52	17%	0.172	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	168.2	-179.5	71.4	0	0	0	0	112.2	V360 A361 R395 F396	V360-T416 WeakPolarHBondContact CB-O 3.41Å; A361-T416 PolarHBondContact N-O 2.91Å; A361-T416 PolarHBondContact O-N 2.74Å; R395-T416 CarbonylContact O-C 3.55Å; R395-T416 VanDerWaalsContact O-CA 3.25Å; R395-T416 WeakPolarHBondContact O-CA 3.45Å; R395-T416 WeakPolarHBondContact O-CB 3.24Å; F396-T416 HydrophobicContact CD2-CG2 3.86Å
417	E	93.9	Very high	87.8	Confident	41 Å²	41	50.3 Å²	50.3	19%	0.192	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	135.6	170.6	173.4	-179.7	-167.1	0	0	112.2	V394 R395 Y397 M419 K480	V394-E417 HydrophobicContact CG1-CB 3.94Å; R395-E417 HydrophobicContact CB-CB 4.02Å; R395-E417 PolarHBondContact N-OE2 3.23Å; R395-E417 VanDerWaalsContact N-OE2 3.12Å; R395-E417 PolarHBondContact O-N 2.88Å; Y397-E417 HydrophobicContact CE2-CB 4.24Å; E417-M419 HydrophobicContact CG-SD 3.99Å; E417-M419 PolarHBondContact O-N 3.4Å; E417-K480 IonicContact OE1-NZ 3.04Å; E417-K480 PolarHBondContact OE1-NZ 2.8Å; E417-K480 IonicContact OE2-NZ 3.61Å; E417-K480 PolarHBondContact OE2-NZ 2.85Å
418	L	93.6	Very high	88.8	Confident	38 Å²	38	48.4 Å²	48.4	20%	0.199	23%	0.23	C	C	.	.			trans	-84.6	100.7	-178.2	178.7	52.5	0	0	0	111.8	L340 R350 A359 A361 T420	L340-L418 HydrophobicContact CD1-CD1 3.39Å; L340-L418 HydrophobicContact CD1-CD2 4.44Å; R350-L418 HydrophobicContact CG-CD2 4.45Å; A359-L418 HydrophobicContact CB-CD2 3.75Å; A359-L418 VanDerWaalsContact O-CB 3.3Å; A359-L418 WeakPolarHBondContact O-CB 3.35Å; A361-L418 HydrophobicContact CB-CD1 4.33Å; L418-T420 HydrophobicContact CD2-CG2 4.27Å; L418-T420 HydrophobicContact CG-CG2 3.93Å; L418-T420 PolarHBondContact O-N 3.16Å
419	M	93.4	Very high	89.7	Confident	25 Å²	25	49 Å²	49	12%	0.123	23%	0.233	C	C	.	.			trans	-80	81	179.7	-62.1	-53.7	-61.7	0	0	112.6	V394 E417 S421 F471 K480	V394-M419 HydrophobicContact CG1-CG 4.23Å; V394-M419 HydrophobicContact CG2-CG 3.81Å; V394-M419 HydrophobicContact CG2-SD 4.17Å; E417-M419 HydrophobicContact CG-SD 3.99Å; E417-M419 PolarHBondContact O-N 3.4Å; M419-S421 VanDerWaalsContact C-N 3.35Å; M419-S421 PolarHBondContact O-N 3.24Å; M419-F471 HydrophobicContact CB-CB 3.71Å; M419-F471 HydrophobicContact CB-CD1 3.4Å; M419-F471 HydrophobicContact CB-CE1 4.18Å; M419-F471 HydrophobicContact CB-CG 3.67Å; M419-F471 HydrophobicContact CE-CB 3.65Å; M419-F471 HydrophobicContact CG-CB 3.61Å; M419-F471 HydrophobicContact CG-CD1 3.93Å; M419-F471 HydrophobicContact CG-CD2 4.3Å; M419-F471 HydrophobicContact CG-CG 3.69Å; M419-F471 HydrophobicContact SD-CB 4.39Å; M419-K480 HydrophobicContact CE-CB 4.14Å; M419-K480 HydrophobicContact CE-CD 4.02Å; M419-K480 HydrophobicContact CE-CG 4.36Å; M419-K480 HydrophobicContact SD-CD 3.98Å
420	T	90.3	Very high	90.3	Very high	81 Å²	81	45.8 Å²	45.8	50%	0.497	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-24.4	-173.2	56.3	0	0	0	0	116	W74 L418 G422	W74-T420 WeakPolarHBondContact CH2-O 3.49Å; W74-T420 VanDerWaalsContact CZ2-O 3.29Å; W74-T420 WeakPolarHBondContact CZ2-O 3.4Å; L418-T420 HydrophobicContact CD2-CG2 4.27Å; L418-T420 HydrophobicContact CG-CG2 3.93Å; L418-T420 PolarHBondContact O-N 3.16Å; T420-G422 VanDerWaalsContact C-N 3.33Å; T420-G422 PolarHBondContact O-N 3.3Å
421	S	90.8	Very high	90.6	Very high	52 Å²	52	43 Å²	43	36%	0.364	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	8.4	-171.3	-47.6	0	0	0	0	114.4	M419 I472 G474	M419-S421 VanDerWaalsContact C-N 3.35Å; M419-S421 PolarHBondContact O-N 3.24Å; S421-I472 WeakPolarHBondContact CB-O 3.23Å; S421-G474 VanDerWaalsContact OG-CA 3.26Å; S421-G474 WeakPolarHBondContact OG-CA 3.37Å; S421-G474 PolarHBondContact OG-N 3.5Å; S421-G474 VanDerWaalsContact OG-N 3.07Å
422	G	91.6	Very high	90.2	Very high	9 Å²	9	50.1 Å²	50.1	9%	0.093	24%	0.241	C	C	.	.			trans	82.5	-172.2	175.6	0	0	0	0	0	114.8	T420 I472	T420-G422 VanDerWaalsContact C-N 3.33Å; T420-G422 PolarHBondContact O-N 3.3Å; G422-I472 PolarHBondContact O-N 3.21Å
423	T	93.7	Very high	90	Very high	13 Å²	13	61.1 Å²	61.1	8%	0.08	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-101.4	164.4	-173.2	74	0	0	0	0	111.9	K425 M426 Y427 D468 I470 F471	T423-K425 VanDerWaalsContact C-N 3.25Å; T423-K425 PolarHBondContact O-N 3.42Å; T423-M426 HydrophobicContact CG2-SD 4.13Å; T423-M426 WeakPolarHBondContact O-CB 3.45Å; T423-M426 PolarHBondContact O-N 3.34Å; T423-M426 VanDerWaalsContact O-N 3.15Å; T423-M426 WeakPolarHBondContact OG1-CG 3.44Å; T423-M426 PolarHBondContact OG1-N 2.75Å; T423-M426 VanDerWaalsContact OG1-N 3.11Å; T423-Y427 PolarHBondContact O-N 3.21Å; T423-D468 WeakPolarHBondContact CB-O 3.37Å; T423-D468 WeakPolarHBondContact CG2-O 3.23Å; T423-I470 CarbonylContact C-O 3.3Å; T423-I470 WeakPolarHBondContact CA-O 3.33Å; T423-F471 HydrophobicContact CG2-CD1 3.98Å; T423-F471 HydrophobicContact CG2-CE1 3.84Å
424	L	93.9	Very high	89.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-35.9	174.3	177.9	58.1	0	0	0	112	Y427 L428 I434 W442 C467 I470 M530	L424-Y427 WeakPolarHBondContact O-CB 3.3Å; L424-Y427 PolarHBondContact O-N 3.29Å; L424-L428 HydrophobicContact CG-CD1 4.39Å; L424-L428 WeakPolarHBondContact O-CG 3.31Å; L424-L428 PolarHBondContact O-N 3.07Å; L424-I434 HydrophobicContact CD1-CD1 4.28Å; L424-W442 HydrophobicContact CD1-CE3 3.59Å; L424-W442 HydrophobicContact CD1-CZ3 3.49Å; L424-W442 VanDerWaalsContact CD1-CZ3 3.49Å; L424-C467 HydrophobicContact CB-CB 4.12Å; L424-C467 WeakPolarHBondContact CB-O 3.19Å; L424-C467 HydrophobicContact CD2-CB 4.15Å; L424-C467 HydrophobicContact CG-CB 4.03Å; L424-C467 PolarHBondContact N-O 2.99Å; L424-I470 HydrophobicContact CB-CB 4.18Å; L424-I470 HydrophobicContact CB-CG2 4.18Å; L424-I470 HydrophobicContact CD2-CB 4.26Å; L424-I470 HydrophobicContact CD2-CD1 4.14Å; L424-I470 HydrophobicContact CD2-CG2 4.06Å; L424-I470 PolarHBondContact N-O 2.96Å; L424-M530 HydrophobicContact CD1-CG 3.9Å; L424-M530 HydrophobicContact CD1-SD 3.79Å; L424-M530 HydrophobicContact CD2-CE 4.09Å; L424-M530 HydrophobicContact CD2-CG 3.81Å; L424-M530 HydrophobicContact CD2-SD 3.56Å; L424-M530 VanDerWaalsContact CD2-SD 3.56Å; L424-M530 HydrophobicContact CG-CG 4.07Å; L424-M530 HydrophobicContact CG-SD 4.18Å
425	K	92.4	Very high	89.9	Confident	58 Å²	58	65.4 Å²	65.4	25%	0.252	30%	0.304	S	S	.	.	H	α-helix	trans	-68.4	-39.8	173.1	-164.1	-178.9	-154	172.8	0	112.7	T423 Y427 L428 K429 C467 D468	T423-K425 VanDerWaalsContact C-N 3.25Å; T423-K425 PolarHBondContact O-N 3.42Å; K425-Y427 VanDerWaalsContact C-N 3.27Å; K425-Y427 PolarHBondContact O-N 2.95Å; K425-L428 PolarHBondContact O-N 3.37Å; K425-K429 WeakPolarHBondContact O-CB 3.36Å; K425-K429 PolarHBondContact O-N 3.39Å; K425-C467 HydrophobicContact CB-CB 3.95Å; K425-C467 PolarHBondContact N-O 3.22Å; K425-D468 WeakPolarHBondContact CD-OD1 3.4Å; K425-D468 WeakPolarHBondContact CD-OD2 3.31Å; K425-D468 IonicContact NZ-OD2 2.64Å; K425-D468 PolarHBondContact NZ-OD2 2.87Å
426	M	92.3	Very high	89.7	Confident	113 Å²	113	67.2 Å²	67.2	56%	0.557	31%	0.314	S	S	*	.	H	α-helix	trans	-61.9	-37.6	171.8	-70.5	172.3	66	0	0	111.5	T423 R430	T423-M426 HydrophobicContact CG2-SD 4.13Å; T423-M426 WeakPolarHBondContact O-CB 3.45Å; T423-M426 PolarHBondContact O-N 3.34Å; T423-M426 VanDerWaalsContact O-N 3.15Å; T423-M426 WeakPolarHBondContact OG1-CG 3.44Å; T423-M426 PolarHBondContact OG1-N 2.75Å; T423-M426 VanDerWaalsContact OG1-N 3.11Å; M426-R430 PolarHBondContact O-N 2.77Å
427	Y	92.2	Very high	89.4	Confident	50 Å²	50	71.8 Å²	71.8	20%	0.196	33%	0.331	C	S	.	.	H	α-helix	trans	-64.5	-52.7	174.3	-172.6	-81.5	0	0	0	111.3	T423 L424 K425 K429 R430 F431 I434 W442 I472	T423-Y427 PolarHBondContact O-N 3.21Å; L424-Y427 WeakPolarHBondContact O-CB 3.3Å; L424-Y427 PolarHBondContact O-N 3.29Å; K425-Y427 VanDerWaalsContact C-N 3.27Å; K425-Y427 PolarHBondContact O-N 2.95Å; Y427-K429 VanDerWaalsContact C-N 3.31Å; Y427-K429 PolarHBondContact O-N 3.19Å; Y427-R430 CarbonylContact O-C 3.44Å; Y427-R430 PolarHBondContact O-N 2.66Å; Y427-F431 HydrophobicContact CD1-CB 4.16Å; Y427-F431 AromaticContact CD1-CD2 3.91Å; Y427-F431 HydrophobicContact CD1-CD2 3.91Å; Y427-F431 AromaticContact CD2-CD2 3.56Å; Y427-F431 HydrophobicContact CD2-CD2 3.56Å; Y427-F431 AromaticContact CD2-CE2 3.91Å; Y427-F431 HydrophobicContact CD2-CE2 3.91Å; Y427-F431 HydrophobicContact CE1-CB 3.74Å; Y427-F431 AromaticContact CE1-CD2 3.82Å; Y427-F431 HydrophobicContact CE1-CD2 3.82Å; Y427-F431 HydrophobicContact CE1-CG 4.13Å; Y427-F431 AromaticContact CE2-CD2 3.49Å; Y427-F431 HydrophobicContact CE2-CD2 3.49Å; Y427-F431 VanDerWaalsContact CE2-CD2 3.49Å; Y427-F431 AromaticContact CE2-CE2 3.89Å; Y427-F431 HydrophobicContact CE2-CE2 3.89Å; Y427-F431 HydrophobicContact CE2-CG 4.34Å; Y427-F431 AromaticContact CG-CD2 3.77Å; Y427-F431 HydrophobicContact CG-CD2 3.77Å; Y427-F431 HydrophobicContact CG-CE2 4.46Å; Y427-F431 AromaticContact CZ-CD2 3.62Å; Y427-F431 WeakPolarHBondContact O-CD2 3.46Å; Y427-F431 PolarHBondContact O-N 2.94Å; Y427-I434 HydrophobicContact CD1-CG1 4.37Å; Y427-I434 HydrophobicContact CE1-CG1 4.08Å; Y427-W442 AromaticContact CD1-CH2 3.81Å; Y427-W442 HydrophobicContact CD1-CH2 3.81Å; Y427-W442 AromaticContact CD1-CZ3 3.94Å; Y427-W442 HydrophobicContact CD1-CZ3 3.94Å; Y427-W442 AromaticContact CD2-CH2 3.88Å; Y427-W442 HydrophobicContact CD2-CH2 3.88Å; Y427-W442 AromaticContact CE1-CH2 3.78Å; Y427-W442 HydrophobicContact CE1-CH2 3.78Å; Y427-W442 HydrophobicContact CE1-CZ3 4.08Å; Y427-W442 AromaticContact CE2-CH2 3.84Å; Y427-W442 HydrophobicContact CE2-CH2 3.84Å; Y427-W442 AromaticContact CG-CH2 3.87Å; Y427-W442 HydrophobicContact CG-CH2 3.87Å; Y427-W442 HydrophobicContact CG-CZ3 4.3Å; Y427-W442 AromaticContact CZ-CH2 3.79Å; Y427-I472 HydrophobicContact CD2-CD1 3.72Å; Y427-I472 HydrophobicContact CG-CD1 3.79Å
428	L	91.5	Very high	89.2	Confident	12 Å²	12	71 Å²	71	6%	0.063	33%	0.329	C	S	.	.	H	α-helix	trans	-56.8	-42.5	178.6	-77.5	163.8	0	0	0	112.5	L424 K425 R430 F431 I434 E529 M530	L424-L428 HydrophobicContact CG-CD1 4.39Å; L424-L428 WeakPolarHBondContact O-CG 3.31Å; L424-L428 PolarHBondContact O-N 3.07Å; K425-L428 PolarHBondContact O-N 3.37Å; L428-R430 PolarHBondContact O-N 2.73Å; L428-F431 CarbonylContact O-C 3.59Å; L428-F431 PolarHBondContact O-N 3.48Å; L428-I434 HydrophobicContact CD2-CD1 3.67Å; L428-I434 HydrophobicContact CD2-CG1 3.94Å; L428-I434 HydrophobicContact CG-CD1 4.23Å; L428-E529 HydrophobicContact CD1-CG 4.08Å; L428-M530 HydrophobicContact CD1-CG 4.14Å
429	K	89.7	Confident	89.2	Confident	189 Å²	189	69.5 Å²	69.5	82%	0.822	32%	0.322	S	S	*	.	H	α-helix	trans	-61.6	-28.2	176.3	-172.4	171.4	-178.2	174.5	0	113.5	K425 Y427	K425-K429 WeakPolarHBondContact O-CB 3.36Å; K425-K429 PolarHBondContact O-N 3.39Å; Y427-K429 VanDerWaalsContact C-N 3.31Å; Y427-K429 PolarHBondContact O-N 3.19Å
430	R	87.2	Confident	89.1	Confident	103 Å²	103	69.3 Å²	69.3	39%	0.389	32%	0.32	S	S	.	.	H	α-helix	trans	-95.6	-29.6	178.3	-165.8	174.4	179.8	-168	-0.4	112.8	D73 M426 Y427 L428	D73-R430 IonicContact OD2-CZ 2.73Å; D73-R430 IonicContact OD2-NH2 3.43Å; D73-R430 PolarHBondContact OD2-NH2 2.97Å; M426-R430 PolarHBondContact O-N 2.77Å; Y427-R430 CarbonylContact O-C 3.44Å; Y427-R430 PolarHBondContact O-N 2.66Å; L428-R430 PolarHBondContact O-N 2.73Å
431	F	82.4	Confident	89.1	Confident	53 Å²	53	67.5 Å²	67.5	23%	0.232	31%	0.31	C	S	.	.			trans	-129.5	85.6	-175.2	-50	-67.2	0	0	0	109.9	V70 Y427 L428 R433	V70-F431 HydrophobicContact CB-CZ 4.09Å; V70-F431 HydrophobicContact CG1-CE2 3.99Å; V70-F431 HydrophobicContact CG1-CZ 3.56Å; V70-F431 HydrophobicContact CG2-CE1 3.58Å; V70-F431 HydrophobicContact CG2-CE2 4.32Å; V70-F431 HydrophobicContact CG2-CZ 3.3Å; Y427-F431 HydrophobicContact CD1-CB 4.16Å; Y427-F431 AromaticContact CD1-CD2 3.91Å; Y427-F431 HydrophobicContact CD1-CD2 3.91Å; Y427-F431 AromaticContact CD2-CD2 3.56Å; Y427-F431 HydrophobicContact CD2-CD2 3.56Å; Y427-F431 AromaticContact CD2-CE2 3.91Å; Y427-F431 HydrophobicContact CD2-CE2 3.91Å; Y427-F431 HydrophobicContact CE1-CB 3.74Å; Y427-F431 AromaticContact CE1-CD2 3.82Å; Y427-F431 HydrophobicContact CE1-CD2 3.82Å; Y427-F431 HydrophobicContact CE1-CG 4.13Å; Y427-F431 AromaticContact CE2-CD2 3.49Å; Y427-F431 HydrophobicContact CE2-CD2 3.49Å; Y427-F431 VanDerWaalsContact CE2-CD2 3.49Å; Y427-F431 AromaticContact CE2-CE2 3.89Å; Y427-F431 HydrophobicContact CE2-CE2 3.89Å; Y427-F431 HydrophobicContact CE2-CG 4.34Å; Y427-F431 AromaticContact CG-CD2 3.77Å; Y427-F431 HydrophobicContact CG-CD2 3.77Å; Y427-F431 HydrophobicContact CG-CE2 4.46Å; Y427-F431 AromaticContact CZ-CD2 3.62Å; Y427-F431 WeakPolarHBondContact O-CD2 3.46Å; Y427-F431 PolarHBondContact O-N 2.94Å; L428-F431 CarbonylContact O-C 3.59Å; L428-F431 PolarHBondContact O-N 3.48Å; F431-R433 PolarHBondContact O-N 3.48Å
432	K	75.4	Confident	89.4	Confident	181 Å²	181	65.4 Å²	65.4	79%	0.787	30%	0.295	S	S	*	.	S	Bend	trans	-57	-3.7	-174.5	-64.5	-169.4	174.8	-169	0	116.7
433	R	80.5	Confident	89.6	Confident	232 Å²	232	65 Å²	65	88%	0.875	29%	0.29	S	S	*	.			trans	-145.9	124.7	174.9	-68.9	-171.1	175.6	179.2	-2	109.8	F431	F431-R433 PolarHBondContact O-N 3.48Å
434	I	87.5	Confident	89.7	Confident	27 Å²	27	66.1 Å²	66.1	14%	0.138	29%	0.293	C	S	.	.			trans	-87.2	143.6	171.7	-56.2	-179.6	0	0	0	108.8	L424 Y427 L428 V438 L439 W442 M530	L424-I434 HydrophobicContact CD1-CD1 4.28Å; Y427-I434 HydrophobicContact CD1-CG1 4.37Å; Y427-I434 HydrophobicContact CE1-CG1 4.08Å; L428-I434 HydrophobicContact CD2-CD1 3.67Å; L428-I434 HydrophobicContact CD2-CG1 3.94Å; L428-I434 HydrophobicContact CG-CD1 4.23Å; I434-V438 HydrophobicContact CG2-CB 3.97Å; I434-V438 HydrophobicContact CG2-CG1 3.96Å; I434-L439 HydrophobicContact CG2-CB 4.14Å; I434-W442 HydrophobicContact CD1-CE3 4.21Å; I434-W442 HydrophobicContact CD1-CZ3 3.85Å; I434-W442 HydrophobicContact CG2-CZ3 4.35Å; I434-M530 HydrophobicContact CD1-CB 3.94Å; I434-M530 HydrophobicContact CD1-CG 3.77Å; I434-M530 HydrophobicContact CD1-SD 4.19Å
435	N	88.4	Confident	89.8	Confident	68 Å²	68	67.5 Å²	67.5	36%	0.364	30%	0.3	S	S	.	.			trans	-69.9	133.6	169.4	-178.2	-2.2	0	0	0	109.7	E63 K437 V438 L439	E63-N435 PolarHBondContact OE1-ND2 3.21Å; N435-K437 PolarHBondContact O-N 3.38Å; N435-K437 VanDerWaalsContact O-N 3.07Å; N435-K437 PolarHBondContact OD1-N 2.78Å; N435-V438 HydrophobicContact CB-CB 4.45Å; N435-V438 HydrophobicContact CB-CG2 4.17Å; N435-V438 WeakPolarHBondContact O-CA 3.43Å; N435-V438 WeakPolarHBondContact O-CB 3.25Å; N435-V438 PolarHBondContact O-N 3.29Å; N435-L439 PolarHBondContact O-N 2.84Å
436	I	88.6	Confident	90	Very high	38 Å²	38	64.8 Å²	64.8	20%	0.195	29%	0.288	C	S	.	.	H	α-helix	trans	-49.1	-36.2	178.1	-174.4	55.6	0	0	0	113.7	L439 K440 Y566 I569 F595	I436-L439 HydrophobicContact CD1-CD2 3.97Å; I436-L439 PolarHBondContact O-N 3.48Å; I436-K440 HydrophobicContact CD1-CG 4.44Å; I436-K440 WeakPolarHBondContact O-CG 3.38Å; I436-K440 PolarHBondContact O-N 3.31Å; I436-Y566 HydrophobicContact CG1-CE1 4.23Å; I436-I569 HydrophobicContact CD1-CD1 3.67Å; I436-F595 HydrophobicContact CD1-CE2 3.84Å; I436-F595 HydrophobicContact CD1-CZ 3.69Å
437	K	87.5	Confident	90.3	Very high	124 Å²	124	59.4 Å²	59.4	54%	0.539	26%	0.261	S	S	.	.	H	α-helix	trans	-66.5	-40.4	175.4	-66.7	-159.4	171.7	-153.1	0	112.9	N435 S441 E599	N435-K437 PolarHBondContact O-N 3.38Å; N435-K437 VanDerWaalsContact O-N 3.07Å; N435-K437 PolarHBondContact OD1-N 2.78Å; K437-S441 WeakPolarHBondContact O-CB 3.4Å; K437-S441 PolarHBondContact O-N 3.14Å; K437-E599 IonicContact NZ-OE2 3.51Å
438	V	90.5	Very high	90.5	Very high	24 Å²	24	62.1 Å²	62.1	15%	0.145	27%	0.274	C	S	.	.	H	α-helix	trans	-68.2	-43	175.1	177.9	0	0	0	0	110.1	I434 N435 S441 W442	I434-V438 HydrophobicContact CG2-CB 3.97Å; I434-V438 HydrophobicContact CG2-CG1 3.96Å; N435-V438 HydrophobicContact CB-CB 4.45Å; N435-V438 HydrophobicContact CB-CG2 4.17Å; N435-V438 WeakPolarHBondContact O-CA 3.43Å; N435-V438 WeakPolarHBondContact O-CB 3.25Å; N435-V438 PolarHBondContact O-N 3.29Å; V438-S441 WeakPolarHBondContact O-CB 3.27Å; V438-S441 PolarHBondContact O-N 3.33Å; V438-S441 VanDerWaalsContact O-N 3.15Å; V438-W442 HydrophobicContact CG1-CD2 3.67Å; V438-W442 VanDerWaalsContact CG1-CE2 3.41Å; V438-W442 HydrophobicContact CG1-CE3 4.01Å; V438-W442 HydrophobicContact CG1-CG 4.28Å; V438-W442 HydrophobicContact CG1-CH2 3.93Å; V438-W442 HydrophobicContact CG1-CZ2 3.57Å; V438-W442 HydrophobicContact CG1-CZ3 4.13Å; V438-W442 PolarHBondContact O-N 2.84Å
439	L	93	Very high	90.8	Very high	8 Å²	8	61.5 Å²	61.5	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-55.8	-55.5	174.9	-176.8	73	0	0	0	111.6	I434 N435 I436 S441 W442 C443 L527 M530 V531 I569	I434-L439 HydrophobicContact CG2-CB 4.14Å; N435-L439 PolarHBondContact O-N 2.84Å; I436-L439 HydrophobicContact CD1-CD2 3.97Å; I436-L439 PolarHBondContact O-N 3.48Å; L439-S441 PolarHBondContact O-N 3.49Å; L439-W442 PolarHBondContact O-N 3.3Å; L439-C443 WeakPolarHBondContact O-CB 3.46Å; L439-C443 PolarHBondContact O-N 3.09Å; L439-C443 PolarHBondContact O-SG 2.96Å; L439-L527 HydrophobicContact CD1-CD1 4.07Å; L439-L527 HydrophobicContact CD2-CD1 4.14Å; L439-L527 HydrophobicContact CG-CD1 4.25Å; L439-M530 HydrophobicContact CD1-CB 3.5Å; L439-M530 HydrophobicContact CD1-CE 4.16Å; L439-M530 HydrophobicContact CD1-CG 4.2Å; L439-M530 HydrophobicContact CD1-SD 3.71Å; L439-V531 HydrophobicContact CD1-CG2 4.36Å; L439-V531 HydrophobicContact CD2-CG2 3.59Å; L439-I569 HydrophobicContact CD2-CD1 3.98Å
440	K	91.6	Very high	91.1	Very high	20 Å²	20	52.5 Å²	52.5	9%	0.087	23%	0.232	C	C	.	.	H	α-helix	trans	-54.2	-41.3	175.2	-75.6	-175.3	177.4	-168.3	0	111.7	I436 R444 F595 E599	I436-K440 HydrophobicContact CD1-CG 4.44Å; I436-K440 WeakPolarHBondContact O-CG 3.38Å; I436-K440 PolarHBondContact O-N 3.31Å; K440-R444 WeakPolarHBondContact O-CB 3.49Å; K440-R444 PolarHBondContact O-N 3.33Å; K440-F595 HydrophobicContact CD-CD2 4.4Å; K440-F595 HydrophobicContact CD-CE2 4.23Å; K440-F595 HydrophobicContact CD-CZ 4.39Å; K440-F595 WeakPolarHBondContact CD-O 3.37Å; K440-F595 VanDerWaalsContact CE-CD2 3.41Å; K440-F595 HydrophobicContact CG-CD1 4.23Å; K440-F595 HydrophobicContact CG-CD2 4.33Å; K440-F595 HydrophobicContact CG-CE1 3.76Å; K440-F595 HydrophobicContact CG-CE2 3.89Å; K440-F595 HydrophobicContact CG-CG 4.49Å; K440-F595 HydrophobicContact CG-CZ 3.56Å; K440-E599 IonicContact NZ-OE1 3.14Å; K440-E599 PolarHBondContact NZ-OE1 2.73Å
441	S	91.6	Very high	91.5	Very high	43 Å²	43	48.9 Å²	48.9	30%	0.301	22%	0.222	S	C	.	.	H	α-helix	trans	-65.6	-48.5	178.9	-168.3	0	0	0	0	112.7	K437 V438 L439 Q445	K437-S441 WeakPolarHBondContact O-CB 3.4Å; K437-S441 PolarHBondContact O-N 3.14Å; V438-S441 WeakPolarHBondContact O-CB 3.27Å; V438-S441 PolarHBondContact O-N 3.33Å; V438-S441 VanDerWaalsContact O-N 3.15Å; L439-S441 PolarHBondContact O-N 3.49Å; S441-Q445 WeakPolarHBondContact O-CB 3.49Å; S441-Q445 VanDerWaalsContact O-CG 3.24Å; S441-Q445 WeakPolarHBondContact O-CG 3.32Å; S441-Q445 PolarHBondContact O-N 3.23Å; S441-Q445 VanDerWaalsContact O-N 3.13Å; S441-Q445 PolarHBondContact O-NE2 2.7Å; S441-Q445 VanDerWaalsContact O-NE2 3.12Å; S441-Q445 PolarHBondContact OG-NE2 2.69Å
442	W	95.3	Very high	92.1	Very high	8 Å²	8	47.7 Å²	47.7	3%	0.03	22%	0.217	C	C	.	.	H	α-helix	trans	-67.8	-42.8	-179.5	-70.1	-9.9	0	0	0	112.6	L424 Y427 I434 V438 L439 R444 Q445 I446 I472 G477 V479 M530	L424-W442 HydrophobicContact CD1-CE3 3.59Å; L424-W442 HydrophobicContact CD1-CZ3 3.49Å; L424-W442 VanDerWaalsContact CD1-CZ3 3.49Å; Y427-W442 AromaticContact CD1-CH2 3.81Å; Y427-W442 HydrophobicContact CD1-CH2 3.81Å; Y427-W442 AromaticContact CD1-CZ3 3.94Å; Y427-W442 HydrophobicContact CD1-CZ3 3.94Å; Y427-W442 AromaticContact CD2-CH2 3.88Å; Y427-W442 HydrophobicContact CD2-CH2 3.88Å; Y427-W442 AromaticContact CE1-CH2 3.78Å; Y427-W442 HydrophobicContact CE1-CH2 3.78Å; Y427-W442 HydrophobicContact CE1-CZ3 4.08Å; Y427-W442 AromaticContact CE2-CH2 3.84Å; Y427-W442 HydrophobicContact CE2-CH2 3.84Å; Y427-W442 AromaticContact CG-CH2 3.87Å; Y427-W442 HydrophobicContact CG-CH2 3.87Å; Y427-W442 HydrophobicContact CG-CZ3 4.3Å; Y427-W442 AromaticContact CZ-CH2 3.79Å; I434-W442 HydrophobicContact CD1-CE3 4.21Å; I434-W442 HydrophobicContact CD1-CZ3 3.85Å; I434-W442 HydrophobicContact CG2-CZ3 4.35Å; V438-W442 HydrophobicContact CG1-CD2 3.67Å; V438-W442 VanDerWaalsContact CG1-CE2 3.41Å; V438-W442 HydrophobicContact CG1-CE3 4.01Å; V438-W442 HydrophobicContact CG1-CG 4.28Å; V438-W442 HydrophobicContact CG1-CH2 3.93Å; V438-W442 HydrophobicContact CG1-CZ2 3.57Å; V438-W442 HydrophobicContact CG1-CZ3 4.13Å; V438-W442 PolarHBondContact O-N 2.84Å; L439-W442 PolarHBondContact O-N 3.3Å; W442-R444 PolarHBondContact O-N 2.94Å; W442-Q445 WeakPolarHBondContact O-CB 3.43Å; W442-Q445 PolarHBondContact O-N 3.18Å; W442-Q445 VanDerWaalsContact O-N 3.11Å; W442-I446 WeakPolarHBondContact O-CD1 3.46Å; W442-I446 WeakPolarHBondContact O-CG1 3.43Å; W442-I446 PolarHBondContact O-N 3.04Å; W442-I472 HydrophobicContact CH2-CD1 3.69Å; W442-I472 HydrophobicContact CH2-CG1 4.41Å; W442-I472 HydrophobicContact CZ2-CD1 4.03Å; W442-I472 HydrophobicContact CZ2-CG1 4.33Å; W442-I472 HydrophobicContact CZ2-CG2 4.48Å; W442-I472 HydrophobicContact CZ3-CD1 4.27Å; W442-G477 PolarHBondContact NE1-O 2.83Å; W442-V479 HydrophobicContact CB-CG1 4.2Å; W442-V479 HydrophobicContact CB-CG2 4.04Å; W442-V479 HydrophobicContact CD2-CG1 3.93Å; W442-V479 HydrophobicContact CG-CG1 3.71Å; W442-V479 HydrophobicContact CG-CG2 4.24Å; W442-M530 HydrophobicContact CE3-SD 4.35Å
443	C	96.6	Very high	92.9	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.2	-46.3	177.8	-64.9	0	0	0	0	111.8	L439 Q445 I446 L447 F523 M530 F596	L439-C443 WeakPolarHBondContact O-CB 3.46Å; L439-C443 PolarHBondContact O-N 3.09Å; L439-C443 PolarHBondContact O-SG 2.96Å; C443-Q445 PolarHBondContact O-N 2.75Å; C443-I446 PolarHBondContact O-N 3.41Å; C443-L447 WeakPolarHBondContact O-CB 3.23Å; C443-L447 WeakPolarHBondContact O-CG 3.35Å; C443-L447 PolarHBondContact O-N 3.49Å; C443-F523 HydrophobicContact CB-CE2 3.96Å; C443-F523 HydrophobicContact CB-CZ 4.01Å; C443-M530 WeakPolarHBondContact SG-CE 3.39Å; C443-F596 HydrophobicContact CB-CD1 4.06Å; C443-F596 HydrophobicContact CB-CE1 3.26Å; C443-F596 HydrophobicContact CB-CZ 3.88Å
444	R	95	Very high	93.5	Very high	38 Å²	38	29.3 Å²	29.3	14%	0.143	14%	0.144	C	C	.	.	H	α-helix	trans	-60.4	-32	174.9	-164	-168.4	-17.5	-108.5	3.6	112.6	K440 W442 K448 F596 T597	K440-R444 WeakPolarHBondContact O-CB 3.49Å; K440-R444 PolarHBondContact O-N 3.33Å; W442-R444 PolarHBondContact O-N 2.94Å; R444-K448 VanDerWaalsContact O-CG 3.31Å; R444-K448 WeakPolarHBondContact O-CG 3.45Å; R444-K448 PolarHBondContact O-N 2.9Å; R444-K448 VanDerWaalsContact O-N 3.08Å; R444-F596 HydrophobicContact CB-CD1 4.47Å; R444-F596 WeakPolarHBondContact CD-O 3.32Å; R444-F596 PolarHBondContact NH1-O 3.33Å; R444-T597 PolarHBondContact NH1-O 2.68Å
445	Q	96.3	Very high	93.7	Very high	29 Å²	29	30.8 Å²	30.8	14%	0.136	15%	0.154	C	C	.	.	H	α-helix	trans	-74.6	-41.4	175.2	-77.2	173.6	66.1	0	0	112.5	N392 S441 W442 C443 K448 G449 V479	N392-Q445 HydrophobicContact CB-CB 4.49Å; N392-Q445 VanDerWaalsContact CB-O 3.26Å; N392-Q445 WeakPolarHBondContact CB-O 3.38Å; N392-Q445 WeakPolarHBondContact ND2-CB 3.18Å; N392-Q445 WeakPolarHBondContact ND2-CG 3.32Å; N392-Q445 PolarHBondContact ND2-OE1 3.49Å; N392-Q445 VanDerWaalsContact ND2-OE1 3.17Å; S441-Q445 WeakPolarHBondContact O-CB 3.49Å; S441-Q445 VanDerWaalsContact O-CG 3.24Å; S441-Q445 WeakPolarHBondContact O-CG 3.32Å; S441-Q445 PolarHBondContact O-N 3.23Å; S441-Q445 VanDerWaalsContact O-N 3.13Å; S441-Q445 PolarHBondContact O-NE2 2.7Å; S441-Q445 VanDerWaalsContact O-NE2 3.12Å; S441-Q445 PolarHBondContact OG-NE2 2.69Å; W442-Q445 WeakPolarHBondContact O-CB 3.43Å; W442-Q445 PolarHBondContact O-N 3.18Å; W442-Q445 VanDerWaalsContact O-N 3.11Å; C443-Q445 PolarHBondContact O-N 2.75Å; Q445-K448 PolarHBondContact O-N 3.3Å; Q445-G449 PolarHBondContact O-N 3.15Å; Q445-V479 HydrophobicContact CB-CG2 3.53Å; Q445-V479 HydrophobicContact CG-CG2 4.48Å
446	I	97.8	Very high	93.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.1	-48.8	172.5	-63.6	154.9	0	0	0	109.6	W442 C443 K448 G449 L450 I470 V479 I481 F523 M530	W442-I446 WeakPolarHBondContact O-CD1 3.46Å; W442-I446 WeakPolarHBondContact O-CG1 3.43Å; W442-I446 PolarHBondContact O-N 3.04Å; C443-I446 PolarHBondContact O-N 3.41Å; I446-K448 VanDerWaalsContact C-N 3.31Å; I446-K448 PolarHBondContact O-N 3Å; I446-G449 CarbonylContact O-C 3.59Å; I446-G449 WeakPolarHBondContact O-CA 3.28Å; I446-G449 PolarHBondContact O-N 3.24Å; I446-L450 HydrophobicContact CG2-CD1 4.29Å; I446-L450 HydrophobicContact CG2-CG 4.41Å; I446-L450 PolarHBondContact O-N 3.12Å; I446-I470 HydrophobicContact CD1-CD1 3.86Å; I446-I470 HydrophobicContact CD1-CG2 4.21Å; I446-I470 HydrophobicContact CG1-CD1 4.2Å; I446-I470 HydrophobicContact CG1-CG2 4.17Å; I446-I470 HydrophobicContact CG2-CD1 4.5Å; I446-V479 HydrophobicContact CG1-CG2 4.08Å; I446-I481 HydrophobicContact CG2-CD1 4.02Å; I446-I481 HydrophobicContact CG2-CG1 4.5Å; I446-F523 HydrophobicContact CB-CD2 4.34Å; I446-F523 HydrophobicContact CB-CE2 4.43Å; I446-F523 HydrophobicContact CG2-CD2 3.82Å; I446-F523 HydrophobicContact CG2-CE2 4.4Å; I446-M530 HydrophobicContact CD1-CE 4.19Å
447	L	97.7	Very high	93.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-59.7	-37.1	176.8	-69.7	169.8	0	0	0	112.7	C443 S451 F523 V587 L590 L591 F596	C443-L447 WeakPolarHBondContact O-CB 3.23Å; C443-L447 WeakPolarHBondContact O-CG 3.35Å; C443-L447 PolarHBondContact O-N 3.49Å; L447-S451 WeakPolarHBondContact O-CB 3.3Å; L447-S451 PolarHBondContact O-N 3.06Å; L447-F523 HydrophobicContact CD1-CE1 4.19Å; L447-F523 HydrophobicContact CD1-CE2 4.22Å; L447-F523 HydrophobicContact CD1-CZ 3.71Å; L447-F523 HydrophobicContact CD2-CD1 3.95Å; L447-F523 HydrophobicContact CD2-CD2 4.13Å; L447-F523 HydrophobicContact CD2-CE1 3.82Å; L447-F523 HydrophobicContact CD2-CE2 4Å; L447-F523 HydrophobicContact CD2-CG 4.1Å; L447-F523 HydrophobicContact CD2-CZ 3.85Å; L447-F523 HydrophobicContact CG-CD2 4.27Å; L447-F523 HydrophobicContact CG-CE1 4.18Å; L447-F523 HydrophobicContact CG-CE2 3.74Å; L447-F523 HydrophobicContact CG-CZ 3.69Å; L447-V587 HydrophobicContact CB-CG1 4.27Å; L447-V587 HydrophobicContact CD2-CG1 3.98Å; L447-V587 WeakPolarHBondContact O-CG1 3.4Å; L447-L590 HydrophobicContact CD1-CB 3.86Å; L447-L590 HydrophobicContact CD2-CB 3.86Å; L447-L590 HydrophobicContact CD2-CD1 3.77Å; L447-L590 HydrophobicContact CD2-CG 4.48Å; L447-L591 HydrophobicContact CB-CD2 3.59Å; L447-L591 HydrophobicContact CB-CG 3.91Å; L447-F596 HydrophobicContact CD1-CD1 4.43Å; L447-F596 HydrophobicContact CD1-CD2 3.75Å; L447-F596 HydrophobicContact CD1-CE2 3.83Å; L447-F596 HydrophobicContact CD1-CG 4.04Å; L447-F596 HydrophobicContact CD1-CZ 4.26Å
448	K	97	Very high	93.1	Very high	106 Å²	106	33.5 Å²	33.5	46%	0.461	17%	0.171	S	C	.	.	H	α-helix	trans	-64.4	-41.8	171	-79.1	-179.8	177.5	-169.5	0	112.3	R444 Q445 I446 S451 F452 L591	R444-K448 VanDerWaalsContact O-CG 3.31Å; R444-K448 WeakPolarHBondContact O-CG 3.45Å; R444-K448 PolarHBondContact O-N 2.9Å; R444-K448 VanDerWaalsContact O-N 3.08Å; Q445-K448 PolarHBondContact O-N 3.3Å; I446-K448 VanDerWaalsContact C-N 3.31Å; I446-K448 PolarHBondContact O-N 3Å; K448-S451 PolarHBondContact O-N 2.92Å; K448-F452 WeakPolarHBondContact O-CB 3.36Å; K448-F452 PolarHBondContact O-N 3.12Å; K448-L591 HydrophobicContact CG-CD2 3.98Å
449	G	96.5	Very high	92.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59	-51.3	173.8	0	0	0	0	0	112.5	Q445 I446 F452 L453	Q445-G449 PolarHBondContact O-N 3.15Å; I446-G449 CarbonylContact O-C 3.59Å; I446-G449 WeakPolarHBondContact O-CA 3.28Å; I446-G449 PolarHBondContact O-N 3.24Å; G449-F452 WeakPolarHBondContact O-CB 3.49Å; G449-F452 PolarHBondContact O-N 2.81Å; G449-L453 WeakPolarHBondContact O-CG 3.43Å; G449-L453 PolarHBondContact O-N 3.25Å; G449-L453 VanDerWaalsContact O-N 3.13Å
450	L	96.3	Very high	92.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-46	176.7	-64.9	-179.6	0	0	0	111.9	I446 F452 L453 H454 H462 L465 I481 D519 F523 V587	I446-L450 HydrophobicContact CG2-CD1 4.29Å; I446-L450 HydrophobicContact CG2-CG 4.41Å; I446-L450 PolarHBondContact O-N 3.12Å; L450-F452 VanDerWaalsContact C-N 3.27Å; L450-F452 PolarHBondContact O-N 3.13Å; L450-L453 PolarHBondContact O-N 2.76Å; L450-H454 WeakPolarHBondContact O-CB 3.28Å; L450-H454 PolarHBondContact O-N 2.84Å; L450-H454 PolarHBondContact O-ND1 3.26Å; L450-H462 HydrophobicContact CD2-CB 4.45Å; L450-L465 HydrophobicContact CD1-CD2 3.85Å; L450-L465 HydrophobicContact CD2-CD1 4.44Å; L450-L465 HydrophobicContact CD2-CD2 4.1Å; L450-L465 HydrophobicContact CG-CD2 4.46Å; L450-I481 HydrophobicContact CD2-CD1 3.92Å; L450-I481 HydrophobicContact CG-CD1 4.02Å; L450-D519 HydrophobicContact CD1-CB 4.21Å; L450-D519 HydrophobicContact CD2-CB 3.99Å; L450-F523 HydrophobicContact CD1-CB 4.21Å; L450-V587 HydrophobicContact CB-CG1 4.11Å; L450-V587 HydrophobicContact CB-CG2 4.15Å; L450-V587 HydrophobicContact CD1-CG2 4.47Å
451	S	95.9	Very high	92.2	Very high	26 Å²	26	32.7 Å²	32.7	18%	0.182	17%	0.169	C	C	.	.	H	α-helix	trans	-58	-39	177.1	-172.8	0	0	0	0	112.1	L447 K448 T455	L447-S451 WeakPolarHBondContact O-CB 3.3Å; L447-S451 PolarHBondContact O-N 3.06Å; K448-S451 PolarHBondContact O-N 2.92Å; S451-T455 WeakPolarHBondContact O-CB 3.18Å; S451-T455 VanDerWaalsContact O-CG2 3.23Å; S451-T455 WeakPolarHBondContact O-CG2 3.4Å; S451-T455 PolarHBondContact O-N 3.49Å; S451-T455 VanDerWaalsContact O-N 3.08Å; S451-T455 PolarHBondContact O-OG1 3.45Å
452	F	95.7	Very high	92	Very high	28 Å²	28	30.8 Å²	30.8	12%	0.123	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-43.5	173.5	171.3	-93.7	0	0	0	112.4	L388 Q389 H390 I393 K448 G449 L450 T455 R456	L388-F452 HydrophobicContact CB-CE1 4.16Å; L388-F452 HydrophobicContact CD2-CE1 3.91Å; L388-F452 HydrophobicContact CD2-CZ 4.27Å; Q389-F452 WeakPolarHBondContact O-CE2 3.39Å; Q389-F452 WeakPolarHBondContact O-CZ 3.47Å; H390-F452 HydrophobicContact CB-CB 4.37Å; H390-F452 HydrophobicContact CB-CD1 3.62Å; H390-F452 HydrophobicContact CB-CD2 3.85Å; H390-F452 HydrophobicContact CB-CE1 3.75Å; H390-F452 HydrophobicContact CB-CE2 3.97Å; H390-F452 HydrophobicContact CB-CG 3.68Å; H390-F452 HydrophobicContact CB-CZ 3.92Å; H390-F452 AromaticContact CD2-CD2 3.81Å; H390-F452 AromaticContact CD2-CG 3.84Å; H390-F452 AromaticContact CG-CG 3.72Å; I393-F452 HydrophobicContact CG1-CD1 4.06Å; I393-F452 HydrophobicContact CG1-CE1 4.48Å; K448-F452 WeakPolarHBondContact O-CB 3.36Å; K448-F452 PolarHBondContact O-N 3.12Å; G449-F452 WeakPolarHBondContact O-CB 3.49Å; G449-F452 PolarHBondContact O-N 2.81Å; L450-F452 VanDerWaalsContact C-N 3.27Å; L450-F452 PolarHBondContact O-N 3.13Å; F452-T455 PolarHBondContact O-OG1 2.92Å; F452-R456 PolarHBondContact O-NE 3.07Å; F452-R456 PolarHBondContact O-NH2 2.97Å
453	L	92.8	Very high	91.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-67.7	-46.8	178.3	-63.5	173	0	0	0	112.4	L388 I393 G449 L450 T455 R456 V460 L484	L388-L453 HydrophobicContact CD1-CD2 3.82Å; I393-L453 HydrophobicContact CD1-CD1 3.83Å; I393-L453 HydrophobicContact CD1-CD2 4.17Å; I393-L453 HydrophobicContact CD1-CG 3.94Å; G449-L453 WeakPolarHBondContact O-CG 3.43Å; G449-L453 PolarHBondContact O-N 3.25Å; G449-L453 VanDerWaalsContact O-N 3.13Å; L450-L453 PolarHBondContact O-N 2.76Å; L453-T455 PolarHBondContact O-N 2.73Å; L453-R456 WeakPolarHBondContact O-CB 3.43Å; L453-R456 WeakPolarHBondContact O-CG 3.35Å; L453-R456 PolarHBondContact O-N 3.35Å; L453-R456 VanDerWaalsContact O-N 3.12Å; L453-V460 CarbonylContact C-O 3.36Å; L453-V460 HydrophobicContact CB-CB 4.18Å; L453-V460 WeakPolarHBondContact CB-O 3.14Å; L453-V460 HydrophobicContact CD2-CB 4.29Å; L453-V460 HydrophobicContact CD2-CG1 4.1Å; L453-V460 PolarHBondContact O-N 3.43Å; L453-L484 HydrophobicContact CD1-CD1 4.45Å; L453-L484 HydrophobicContact CD1-CD2 3.85Å; L453-L484 HydrophobicContact CD2-CD1 3.93Å; L453-L484 HydrophobicContact CD2-CD2 4.42Å
454	H	92.7	Very high	90.6	Very high	28 Å²	28	34 Å²	34	13%	0.13	17%	0.17	C	C	.	.	H	α-helix	trans	-67.8	-18.3	178.9	-58.7	161.9	0	0	0	113.2	L450 V460 E516 D519	L450-H454 WeakPolarHBondContact O-CB 3.28Å; L450-H454 PolarHBondContact O-N 2.84Å; L450-H454 PolarHBondContact O-ND1 3.26Å; H454-V460 PolarHBondContact CD2-O 3.39Å; H454-E516 HydrophobicContact CB-CB 4.48Å; H454-D519 IonicContact CD2-OD2 3.31Å; H454-D519 IonicContact CE1-OD2 2.73Å; H454-D519 IonicContact NE2-OD2 3.82Å; H454-D519 PolarHBondContact NE2-OD2 3.29Å
455	T	91.7	Very high	90.4	Very high	58 Å²	58	32.2 Å²	32.2	36%	0.356	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	15.9	173.8	58.6	0	0	0	0	113.9	S451 F452 L453	S451-T455 WeakPolarHBondContact O-CB 3.18Å; S451-T455 VanDerWaalsContact O-CG2 3.23Å; S451-T455 WeakPolarHBondContact O-CG2 3.4Å; S451-T455 PolarHBondContact O-N 3.49Å; S451-T455 VanDerWaalsContact O-N 3.08Å; S451-T455 PolarHBondContact O-OG1 3.45Å; F452-T455 PolarHBondContact O-OG1 2.92Å; L453-T455 PolarHBondContact O-N 2.73Å
456	R	89	Confident	90.2	Very high	81 Å²	81	31.6 Å²	31.6	31%	0.306	16%	0.161	S	C	.	.	S	Bend	trans	-75.2	163.4	164.2	-61.7	-52.4	86.5	-167.8	-4.6	110.5	L388 F452 L453 P458 P459 V460	L388-R456 HydrophobicContact CD2-CG 3.82Å; F452-R456 PolarHBondContact O-NE 3.07Å; F452-R456 PolarHBondContact O-NH2 2.97Å; L453-R456 WeakPolarHBondContact O-CB 3.43Å; L453-R456 WeakPolarHBondContact O-CG 3.35Å; L453-R456 PolarHBondContact O-N 3.35Å; L453-R456 VanDerWaalsContact O-N 3.12Å; R456-P458 VanDerWaalsContact C-C 3.43Å; R456-P458 CarbonylContact C-O 3.56Å; R456-P458 VanDerWaalsContact CB-O 3.31Å; R456-P458 WeakPolarHBondContact CB-O 3.27Å; R456-P458 CarbonylContact O-C 3.53Å; R456-P459 WeakPolarHBondContact O-CA 3.42Å; R456-P459 VanDerWaalsContact O-N 3.11Å; R456-V460 HydrophobicContact CB-CG2 4.08Å; R456-V460 HydrophobicContact CG-CG2 4.03Å
457	N	81.8	Confident	90	Very high	159 Å²	159	31.6 Å²	31.6	85%	0.85	16%	0.161	S	C	*	.	S	Bend	trans	-122.7	107.1	173.8	-78	88.4	0	0	0	109.6
458	P	79.8	Confident	89.7	Confident	46 Å²	46	34 Å²	34	30%	0.299	17%	0.174	S	C	.	.	S	Bend	cis	-66.4	162.3	-7.9	30.8	-37.2	0	0	0	113.1	M384 R456 L489	M384-P458 HydrophobicContact CE-CG 3.89Å; R456-P458 VanDerWaalsContact C-C 3.43Å; R456-P458 CarbonylContact C-O 3.56Å; R456-P458 VanDerWaalsContact CB-O 3.31Å; R456-P458 WeakPolarHBondContact CB-O 3.27Å; R456-P458 CarbonylContact O-C 3.53Å; P458-L489 HydrophobicContact CG-CD2 4.27Å
459	P	85.9	Confident	89.5	Confident	31 Å²	31	29.4 Å²	29.4	20%	0.201	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-60.1	137	176.1	-26.5	36.4	0	0	0	112.8	R456	R456-P459 WeakPolarHBondContact O-CA 3.42Å; R456-P459 VanDerWaalsContact O-N 3.11Å
460	V	84.5	Confident	89.4	Confident	3 Å²	3	29.4 Å²	29.4	2%	0.018	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-96.8	121.7	173.7	179.1	0	0	0	0	108.2	M384 L453 H454 R456 A487 L489	M384-V460 HydrophobicContact SD-CG2 3.99Å; L453-V460 CarbonylContact C-O 3.36Å; L453-V460 HydrophobicContact CB-CB 4.18Å; L453-V460 WeakPolarHBondContact CB-O 3.14Å; L453-V460 HydrophobicContact CD2-CB 4.29Å; L453-V460 HydrophobicContact CD2-CG1 4.1Å; L453-V460 PolarHBondContact O-N 3.43Å; H454-V460 PolarHBondContact CD2-O 3.39Å; R456-V460 HydrophobicContact CB-CG2 4.08Å; R456-V460 HydrophobicContact CG-CG2 4.03Å; V460-A487 HydrophobicContact CG1-CB 4.32Å; V460-L489 HydrophobicContact CG2-CD2 3.96Å
461	I	86.2	Confident	89.4	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-102.7	131.5	175.5	-54.9	166.8	0	0	0	107.4	R463 A487 K490 V518	I461-R463 HydrophobicContact CB-CG 4.18Å; I461-R463 HydrophobicContact CG2-CG 3.76Å; I461-A487 WeakPolarHBondContact O-CB 3.43Å; I461-K490 HydrophobicContact CD1-CB 3.85Å; I461-K490 HydrophobicContact CD1-CD 4.13Å; I461-K490 HydrophobicContact CD1-CG 3.87Å; I461-K490 HydrophobicContact CG1-CB 4.48Å; I461-V518 HydrophobicContact CG2-CG2 3.57Å
462	H	87.8	Confident	89.3	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.019	16%	0.155	C	C	.	.			trans	-72.8	-40.6	-175.6	-172.3	-62.2	0	0	0	112.7	L450 D464 L465 I481 G482 L484 D519	L450-H462 HydrophobicContact CD2-CB 4.45Å; H462-D464 VanDerWaalsContact CE1-C 3.47Å; H462-D464 PolarHBondContact CE1-O 3.03Å; H462-D464 PolarHBondContact ND1-N 3.35Å; H462-D464 PolarHBondContact ND1-O 3.42Å; H462-D464 PolarHBondContact O-N 3.23Å; H462-L465 HydrophobicContact CB-CB 4.49Å; H462-L465 PolarHBondContact ND1-N 2.86Å; H462-L465 VanDerWaalsContact ND1-N 3.19Å; H462-I481 WeakPolarHBondContact CD2-CG2 3.37Å; H462-I481 WeakPolarHBondContact NE2-CG2 3.5Å; H462-G482 PolarHBondContact NE2-O 2.94Å; H462-L484 HydrophobicContact CB-CD2 4.48Å; H462-L484 VanDerWaalsContact CD2-CD2 3.42Å; H462-L484 WeakPolarHBondContact CD2-CD2 3.37Å; H462-D519 WeakPolarHBondContact CB-OD1 3.36Å; H462-D519 PolarHBondContact N-OD1 3.08Å; H462-D519 PolarHBondContact N-OD2 2.87Å
463	R	79.9	Confident	89.2	Confident	34 Å²	34	30 Å²	30	13%	0.128	16%	0.156	C	C	.	.	S	Bend	trans	68.1	-47.1	176.4	-50.2	172.5	-175.9	-139.1	-4.4	115.5	I461 T488 M509 Y514 D519	I461-R463 HydrophobicContact CB-CG 4.18Å; I461-R463 HydrophobicContact CG2-CG 3.76Å; R463-T488 WeakPolarHBondContact CD-OG1 3.2Å; R463-T488 PolarHBondContact NE-O 3.1Å; R463-T488 PolarHBondContact NE-OG1 3.36Å; R463-T488 VanDerWaalsContact NE-OG1 3.1Å; R463-T488 PolarHBondContact NH1-OG1 3.14Å; R463-T488 PolarHBondContact NH2-O 2.89Å; R463-M509 HydrophobicContact CB-CE 4.14Å; R463-M509 WeakPolarHBondContact O-CE 3.46Å; R463-Y514 PolarHBondContact NH1-OH 2.91Å; R463-D519 PolarHBondContact N-OD1 3.46Å
464	D	82.6	Confident	88.6	Confident	40 Å²	40	30.5 Å²	30.5	21%	0.214	16%	0.16	C	C	.	.	S	Bend	trans	-103.7	47	177	-167.4	40.3	0	0	0	112.5	H462 K466 N469	H462-D464 VanDerWaalsContact CE1-C 3.47Å; H462-D464 PolarHBondContact CE1-O 3.03Å; H462-D464 PolarHBondContact ND1-N 3.35Å; H462-D464 PolarHBondContact ND1-O 3.42Å; H462-D464 PolarHBondContact O-N 3.23Å; D464-K466 PolarHBondContact O-N 2.93Å; D464-K466 IonicContact OD1-NZ 3.71Å; D464-K466 PolarHBondContact OD1-NZ 3.32Å; D464-K466 IonicContact OD2-NZ 3.46Å; D464-K466 PolarHBondContact OD2-NZ 3.13Å; D464-N469 PolarHBondContact O-ND2 3.33Å; D464-N469 PolarHBondContact OD2-ND2 2.88Å
465	L	91.3	Very high	87.7	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.192	C	C	.	.			trans	-77.5	123.8	179.7	-175.2	74.9	0	0	0	110	L450 H462 I470 I481 D519 A522 F523	L450-L465 HydrophobicContact CD1-CD2 3.85Å; L450-L465 HydrophobicContact CD2-CD1 4.44Å; L450-L465 HydrophobicContact CD2-CD2 4.1Å; L450-L465 HydrophobicContact CG-CD2 4.46Å; H462-L465 HydrophobicContact CB-CB 4.49Å; H462-L465 PolarHBondContact ND1-N 2.86Å; H462-L465 VanDerWaalsContact ND1-N 3.19Å; L465-I470 HydrophobicContact CD1-CD1 4.21Å; L465-I470 HydrophobicContact CD1-CG1 4.15Å; L465-I481 HydrophobicContact CD1-CD1 4.37Å; L465-I481 HydrophobicContact CD1-CG2 3.7Å; L465-D519 WeakPolarHBondContact CD2-O 3.24Å; L465-A522 HydrophobicContact CB-CB 3.82Å; L465-A522 HydrophobicContact CD2-CB 4.2Å; L465-A522 HydrophobicContact CG-CB 4.4Å; L465-A522 WeakPolarHBondContact O-CB 3.43Å; L465-F523 HydrophobicContact CD2-CB 4.16Å
466	K	91.4	Very high	86.8	Confident	16 Å²	16	36.9 Å²	36.9	7%	0.07	20%	0.201	C	C	.	.	S	Bend	trans	-159.4	165.7	177.5	50.8	170	171.8	-100.5	0	111.5	D464 D468 N469 I470 T501 F504 C526	D464-K466 PolarHBondContact O-N 2.93Å; D464-K466 IonicContact OD1-NZ 3.71Å; D464-K466 PolarHBondContact OD1-NZ 3.32Å; D464-K466 IonicContact OD2-NZ 3.46Å; D464-K466 PolarHBondContact OD2-NZ 3.13Å; K466-D468 HydrophobicContact CD-CB 3.97Å; K466-D468 HydrophobicContact CG-CB 4.18Å; K466-D468 PolarHBondContact O-N 3.01Å; K466-D468 VanDerWaalsContact O-N 3.08Å; K466-N469 WeakPolarHBondContact CE-OD1 3.13Å; K466-N469 HydrophobicContact CG-CB 4.28Å; K466-N469 PolarHBondContact O-N 2.97Å; K466-I470 PolarHBondContact O-N 2.84Å; K466-T501 PolarHBondContact NZ-OG1 2.89Å; K466-F504 HydrophobicContact CB-CD1 4.2Å; K466-F504 HydrophobicContact CB-CD2 3.78Å; K466-F504 HydrophobicContact CB-CE1 4.17Å; K466-F504 HydrophobicContact CB-CE2 3.72Å; K466-F504 HydrophobicContact CB-CG 4.02Å; K466-F504 HydrophobicContact CB-CZ 3.94Å; K466-F504 HydrophobicContact CD-CD2 4.32Å; K466-F504 HydrophobicContact CD-CE2 4.29Å; K466-C526 VanDerWaalsContact CA-SG 3.53Å
467	C	94.4	Very high	86.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.1	177.1	-64.8	0	0	0	0	114.6	L424 K425 E529	L424-C467 HydrophobicContact CB-CB 4.12Å; L424-C467 WeakPolarHBondContact CB-O 3.19Å; L424-C467 HydrophobicContact CD2-CB 4.15Å; L424-C467 HydrophobicContact CG-CB 4.03Å; L424-C467 PolarHBondContact N-O 2.99Å; K425-C467 HydrophobicContact CB-CB 3.95Å; K425-C467 PolarHBondContact N-O 3.22Å; C467-E529 VanDerWaalsContact CB-OE2 3.22Å; C467-E529 WeakPolarHBondContact CB-OE2 3.36Å; C467-E529 PolarHBondContact SG-OE2 2.82Å
468	D	90.4	Very high	87.2	Confident	53 Å²	53	27.3 Å²	27.3	28%	0.283	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-35.1	167.6	-78.3	-53.4	0	0	0	112.7	T423 K425 K466	T423-D468 WeakPolarHBondContact CB-O 3.37Å; T423-D468 WeakPolarHBondContact CG2-O 3.23Å; K425-D468 WeakPolarHBondContact CD-OD1 3.4Å; K425-D468 WeakPolarHBondContact CD-OD2 3.31Å; K425-D468 IonicContact NZ-OD2 2.64Å; K425-D468 PolarHBondContact NZ-OD2 2.87Å; K466-D468 HydrophobicContact CD-CB 3.97Å; K466-D468 HydrophobicContact CG-CB 4.18Å; K466-D468 PolarHBondContact O-N 3.01Å; K466-D468 VanDerWaalsContact O-N 3.08Å
469	N	92	Very high	88	Confident	8 Å²	8	25.2 Å²	25.2	4%	0.043	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-2.4	-172.9	-60.9	5.4	0	0	0	112	D464 K466 F471 G482 D483	D464-N469 PolarHBondContact O-ND2 3.33Å; D464-N469 PolarHBondContact OD2-ND2 2.88Å; K466-N469 WeakPolarHBondContact CE-OD1 3.13Å; K466-N469 HydrophobicContact CG-CB 4.28Å; K466-N469 PolarHBondContact O-N 2.97Å; N469-F471 WeakPolarHBondContact O-CD2 3.43Å; N469-F471 WeakPolarHBondContact O-CE2 3.28Å; N469-G482 PolarHBondContact O-N 3.26Å; N469-D483 HydrophobicContact CB-CB 4.24Å; N469-D483 PolarHBondContact OD1-OD2 2.7Å
470	I	95.7	Very high	88.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	110.9	172.2	-61.9	160.8	0	0	0	108.2	T423 L424 I446 L465 K466 V479 C526	T423-I470 CarbonylContact C-O 3.3Å; T423-I470 WeakPolarHBondContact CA-O 3.33Å; L424-I470 HydrophobicContact CB-CB 4.18Å; L424-I470 HydrophobicContact CB-CG2 4.18Å; L424-I470 HydrophobicContact CD2-CB 4.26Å; L424-I470 HydrophobicContact CD2-CD1 4.14Å; L424-I470 HydrophobicContact CD2-CG2 4.06Å; L424-I470 PolarHBondContact N-O 2.96Å; I446-I470 HydrophobicContact CD1-CD1 3.86Å; I446-I470 HydrophobicContact CD1-CG2 4.21Å; I446-I470 HydrophobicContact CG1-CD1 4.2Å; I446-I470 HydrophobicContact CG1-CG2 4.17Å; I446-I470 HydrophobicContact CG2-CD1 4.5Å; L465-I470 HydrophobicContact CD1-CD1 4.21Å; L465-I470 HydrophobicContact CD1-CG1 4.15Å; K466-I470 PolarHBondContact O-N 2.84Å; I470-V479 HydrophobicContact CG2-CB 4.01Å; I470-V479 HydrophobicContact CG2-CG1 4.21Å; I470-C526 HydrophobicContact CD1-CB 4.37Å
471	F	95.5	Very high	89.1	Confident	38 Å²	38	25 Å²	25	17%	0.167	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	148.2	-177.1	-64.7	-90.7	0	0	0	111.8	V394 M419 T423 N469 V479 K480	V394-F471 HydrophobicContact CG2-CD2 3.91Å; V394-F471 HydrophobicContact CG2-CG 4.49Å; M419-F471 HydrophobicContact CB-CB 3.71Å; M419-F471 HydrophobicContact CB-CD1 3.4Å; M419-F471 HydrophobicContact CB-CE1 4.18Å; M419-F471 HydrophobicContact CB-CG 3.67Å; M419-F471 HydrophobicContact CE-CB 3.65Å; M419-F471 HydrophobicContact CG-CB 3.61Å; M419-F471 HydrophobicContact CG-CD1 3.93Å; M419-F471 HydrophobicContact CG-CD2 4.3Å; M419-F471 HydrophobicContact CG-CG 3.69Å; M419-F471 HydrophobicContact SD-CB 4.39Å; T423-F471 HydrophobicContact CG2-CD1 3.98Å; T423-F471 HydrophobicContact CG2-CE1 3.84Å; N469-F471 WeakPolarHBondContact O-CD2 3.43Å; N469-F471 WeakPolarHBondContact O-CE2 3.28Å; F471-V479 CarbonylContact O-C 3.6Å; F471-V479 VanDerWaalsContact O-CA 3.24Å; F471-V479 WeakPolarHBondContact O-CA 3.38Å; F471-K480 PolarHBondContact N-O 3.29Å; F471-K480 PolarHBondContact O-N 3.12Å
472	I	95.3	Very high	89.3	Confident	9 Å²	9	25.1 Å²	25.1	5%	0.046	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	137.5	176.4	-62.9	165.6	0	0	0	109.8	S421 G422 Y427 W442 V479	S421-I472 WeakPolarHBondContact CB-O 3.23Å; G422-I472 PolarHBondContact O-N 3.21Å; Y427-I472 HydrophobicContact CD2-CD1 3.72Å; Y427-I472 HydrophobicContact CG-CD1 3.79Å; W442-I472 HydrophobicContact CH2-CD1 3.69Å; W442-I472 HydrophobicContact CH2-CG1 4.41Å; W442-I472 HydrophobicContact CZ2-CD1 4.03Å; W442-I472 HydrophobicContact CZ2-CG1 4.33Å; W442-I472 HydrophobicContact CZ2-CG2 4.48Å; W442-I472 HydrophobicContact CZ3-CD1 4.27Å; I472-V479 HydrophobicContact CG1-CG1 3.96Å
473	T	92.5	Very high	89	Confident	21 Å²	21	27.6 Å²	27.6	13%	0.129	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	98.5	175.2	-46.1	0	0	0	0	109.8	T475 T476 G477 S478	T473-T475 VanDerWaalsContact C-N 3.26Å; T473-T475 PolarHBondContact O-N 3.02Å; T473-T475 VanDerWaalsContact O-N 3.13Å; T473-T476 WeakPolarHBondContact CG2-OG1 3.42Å; T473-T476 PolarHBondContact O-N 3.49Å; T473-T476 VanDerWaalsContact O-N 3.13Å; T473-G477 PolarHBondContact O-N 2.63Å; T473-S478 WeakPolarHBondContact CB-OG 3.43Å; T473-S478 PolarHBondContact N-O 3.24Å; T473-S478 PolarHBondContact OG1-OG 3.3Å; T473-S478 VanDerWaalsContact OG1-OG 3.1Å
474	G	79.8	Confident	88.7	Confident	9 Å²	9	26.6 Å²	26.6	9%	0.093	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-30	-172.9	0	0	0	0	0	115.5	Q71 S421 T476	Q71-G474 PolarHBondContact NE2-O 3.37Å; S421-G474 VanDerWaalsContact OG-CA 3.26Å; S421-G474 WeakPolarHBondContact OG-CA 3.37Å; S421-G474 PolarHBondContact OG-N 3.5Å; S421-G474 VanDerWaalsContact OG-N 3.07Å; G474-T476 VanDerWaalsContact C-N 3.28Å; G474-T476 PolarHBondContact O-N 3.42Å
475	T	73.6	Confident	87.5	Confident	129 Å²	129	25.5 Å²	25.5	79%	0.791	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-22.3	179.8	51.6	0	0	0	0	114.1	T473	T473-T475 VanDerWaalsContact C-N 3.26Å; T473-T475 PolarHBondContact O-N 3.02Å; T473-T475 VanDerWaalsContact O-N 3.13Å
476	T	74.4	Confident	85.7	Confident	91 Å²	91	29.5 Å²	29.5	56%	0.558	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.9	-13.5	-173.1	51.4	0	0	0	0	114.1	T473 G474 S478	T473-T476 WeakPolarHBondContact CG2-OG1 3.42Å; T473-T476 PolarHBondContact O-N 3.49Å; T473-T476 VanDerWaalsContact O-N 3.13Å; G474-T476 VanDerWaalsContact C-N 3.28Å; G474-T476 PolarHBondContact O-N 3.42Å; T476-S478 PolarHBondContact O-N 3.05Å; T476-S478 PolarHBondContact OG1-N 2.79Å; T476-S478 PolarHBondContact OG1-OG 2.89Å
477	G	84.8	Confident	84	Confident	16 Å²	16	29 Å²	29	17%	0.165	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	13.7	-170.5	0	0	0	0	0	113.6	W442 T473	W442-G477 PolarHBondContact NE1-O 2.83Å; T473-G477 PolarHBondContact O-N 2.63Å
478	S	93.9	Very high	81.7	Confident	24 Å²	24	30.3 Å²	30.3	17%	0.168	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	166.8	175.2	61.3	0	0	0	0	112.1	T473 T476	T473-S478 WeakPolarHBondContact CB-OG 3.43Å; T473-S478 PolarHBondContact N-O 3.24Å; T473-S478 PolarHBondContact OG1-OG 3.3Å; T473-S478 VanDerWaalsContact OG1-OG 3.1Å; T476-S478 PolarHBondContact O-N 3.05Å; T476-S478 PolarHBondContact OG1-N 2.79Å; T476-S478 PolarHBondContact OG1-OG 2.89Å
479	V	96.9	Very high	79.4	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	147	172.6	-71.8	0	0	0	0	112	N392 W442 Q445 I446 I470 F471 I472	N392-V479 WeakPolarHBondContact CA-O 3.44Å; N392-V479 PolarHBondContact ND2-O 3.25Å; W442-V479 HydrophobicContact CB-CG1 4.2Å; W442-V479 HydrophobicContact CB-CG2 4.04Å; W442-V479 HydrophobicContact CD2-CG1 3.93Å; W442-V479 HydrophobicContact CG-CG1 3.71Å; W442-V479 HydrophobicContact CG-CG2 4.24Å; Q445-V479 HydrophobicContact CB-CG2 3.53Å; Q445-V479 HydrophobicContact CG-CG2 4.48Å; I446-V479 HydrophobicContact CG1-CG2 4.08Å; I470-V479 HydrophobicContact CG2-CB 4.01Å; I470-V479 HydrophobicContact CG2-CG1 4.21Å; F471-V479 CarbonylContact O-C 3.6Å; F471-V479 VanDerWaalsContact O-CA 3.24Å; F471-V479 WeakPolarHBondContact O-CA 3.38Å; I472-V479 HydrophobicContact CG1-CG1 3.96Å
480	K	96.9	Very high	77	Confident	30 Å²	30	31.7 Å²	31.7	13%	0.13	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.5	177	-72	-175	166.9	-171	0	110.6	P391 N392 V394 E417 M419 F471	P391-K480 WeakPolarHBondContact O-CE 3.47Å; P391-K480 WeakPolarHBondContact O-CG 3.19Å; N392-K480 WeakPolarHBondContact O-CA 3.47Å; V394-K480 HydrophobicContact CG2-CB 3.72Å; E417-K480 IonicContact OE1-NZ 3.04Å; E417-K480 PolarHBondContact OE1-NZ 2.8Å; E417-K480 IonicContact OE2-NZ 3.61Å; E417-K480 PolarHBondContact OE2-NZ 2.85Å; M419-K480 HydrophobicContact CE-CB 4.14Å; M419-K480 HydrophobicContact CE-CD 4.02Å; M419-K480 HydrophobicContact CE-CG 4.36Å; M419-K480 HydrophobicContact SD-CD 3.98Å; F471-K480 PolarHBondContact N-O 3.29Å; F471-K480 PolarHBondContact O-N 3.12Å
481	I	95.8	Very high	74.2	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	124.9	173.1	-48.1	175.6	0	0	0	108.5	N392 I393 V394 I446 L450 H462 L465	N392-I481 PolarHBondContact O-N 3.02Å; I393-I481 CarbonylContact C-O 3.51Å; I393-I481 WeakPolarHBondContact CA-O 3.35Å; I393-I481 HydrophobicContact CD1-CB 3.99Å; I393-I481 HydrophobicContact CD1-CD1 4.25Å; I393-I481 HydrophobicContact CD1-CG1 4.42Å; V394-I481 PolarHBondContact N-O 3.12Å; I446-I481 HydrophobicContact CG2-CD1 4.02Å; I446-I481 HydrophobicContact CG2-CG1 4.5Å; L450-I481 HydrophobicContact CD2-CD1 3.92Å; L450-I481 HydrophobicContact CG-CD1 4.02Å; H462-I481 WeakPolarHBondContact CD2-CG2 3.37Å; H462-I481 WeakPolarHBondContact NE2-CG2 3.5Å; L465-I481 HydrophobicContact CD1-CD1 4.37Å; L465-I481 HydrophobicContact CD1-CG2 3.7Å
482	G	90.5	Very high	71.6	Confident	2 Å²	2	41.9 Å²	41.9	2%	0.021	24%	0.235	C	C	.	.			trans	-119.6	-165	-179.4	0	0	0	0	0	112.9	H462 N469 L484	H462-G482 PolarHBondContact NE2-O 2.94Å; N469-G482 PolarHBondContact O-N 3.26Å; G482-L484 PolarHBondContact O-N 2.78Å
483	D	81.8	Confident	68.8	Low	56 Å²	56	41.8 Å²	41.8	30%	0.299	24%	0.235	S	C	.	.			trans	58.6	16.1	179.8	-73.9	-12.7	0	0	0	116.9	K346 N469 G485 L486	K346-D483 IonicContact NZ-OD1 3.48Å; K346-D483 PolarHBondContact NZ-OD1 3.08Å; K346-D483 IonicContact NZ-OD2 3.7Å; K346-D483 PolarHBondContact NZ-OD2 3.31Å; N469-D483 HydrophobicContact CB-CB 4.24Å; N469-D483 PolarHBondContact OD1-OD2 2.7Å; D483-G485 PolarHBondContact O-N 3.4Å; D483-L486 PolarHBondContact O-N 2.83Å
484	L	74.3	Confident	66.1	Low	13 Å²	13	48 Å²	48	7%	0.068	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-55.1	-10.3	168.9	-66	177.4	0	0	0	114.9	L385 L388 I393 L453 H462 G482 L486 A487	L385-L484 HydrophobicContact CD1-CB 4.43Å; L385-L484 VanDerWaalsContact CD1-O 3.31Å; L385-L484 WeakPolarHBondContact CD1-O 3.49Å; L385-L484 HydrophobicContact CD2-CB 3.95Å; L388-L484 HydrophobicContact CD1-CD1 4.17Å; I393-L484 HydrophobicContact CG2-CD1 3.56Å; L453-L484 HydrophobicContact CD1-CD1 4.45Å; L453-L484 HydrophobicContact CD1-CD2 3.85Å; L453-L484 HydrophobicContact CD2-CD1 3.93Å; L453-L484 HydrophobicContact CD2-CD2 4.42Å; H462-L484 HydrophobicContact CB-CD2 4.48Å; H462-L484 VanDerWaalsContact CD2-CD2 3.42Å; H462-L484 WeakPolarHBondContact CD2-CD2 3.37Å; G482-L484 PolarHBondContact O-N 2.78Å; L484-L486 PolarHBondContact O-N 3.47Å; L484-A487 HydrophobicContact CB-CB 4.28Å; L484-A487 HydrophobicContact CD2-CB 3.91Å; L484-A487 VanDerWaalsContact O-CB 3.24Å; L484-A487 WeakPolarHBondContact O-CB 3.47Å; L484-A487 PolarHBondContact O-N 3Å
485	G	56	Low	64.2	Low	17 Å²	17	48.4 Å²	48.4	18%	0.175	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-63.8	-1.5	175.6	0	0	0	0	0	115.6	F378 D483	F378-G485 WeakPolarHBondContact CE2-O 3.38Å; F378-G485 WeakPolarHBondContact CZ-O 3.45Å; D483-G485 PolarHBondContact O-N 3.4Å
486	L	54.4	Low	62.8	Low	85 Å²	85	51 Å²	51	45%	0.445	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-121.4	1.8	167.5	-62.9	174.4	0	0	0	112.7	L365 F378 D483 L484 T488	L365-L486 HydrophobicContact CD2-CD2 3.89Å; F378-L486 HydrophobicContact CE2-CD2 4.44Å; D483-L486 PolarHBondContact O-N 2.83Å; L484-L486 PolarHBondContact O-N 3.47Å; L486-T488 PolarHBondContact O-N 3.1Å; L486-T488 PolarHBondContact O-OG1 2.97Å
487	A	54.5	Low	61	Low	5 Å²	5	49.4 Å²	49.4	4%	0.041	26%	0.256	C	S	.	.			trans	-71.4	117.2	178.8	0	0	0	0	0	109.9	V460 I461 L484	V460-A487 HydrophobicContact CG1-CB 4.32Å; I461-A487 WeakPolarHBondContact O-CB 3.43Å; L484-A487 HydrophobicContact CB-CB 4.28Å; L484-A487 HydrophobicContact CD2-CB 3.91Å; L484-A487 VanDerWaalsContact O-CB 3.24Å; L484-A487 WeakPolarHBondContact O-CB 3.47Å; L484-A487 PolarHBondContact O-N 3Å
488	T	47.5	Very low	58.7	Low	28 Å²	28	53.4 Å²	53.4	17%	0.172	28%	0.277	C	S	.	.			trans	-106.5	148.7	-167.2	9.1	0	0	0	0	109.7	E381 R463 L486	E381-T488 VanDerWaalsContact OE1-CA 3.27Å; E381-T488 WeakPolarHBondContact OE1-CA 2.78Å; E381-T488 VanDerWaalsContact OE1-CG2 3.26Å; E381-T488 WeakPolarHBondContact OE1-CG2 3.45Å; E381-T488 WeakPolarHBondContact OE2-CG2 3.46Å; R463-T488 WeakPolarHBondContact CD-OG1 3.2Å; R463-T488 PolarHBondContact NE-O 3.1Å; R463-T488 PolarHBondContact NE-OG1 3.36Å; R463-T488 VanDerWaalsContact NE-OG1 3.1Å; R463-T488 PolarHBondContact NH1-OG1 3.14Å; R463-T488 PolarHBondContact NH2-O 2.89Å; L486-T488 PolarHBondContact O-N 3.1Å; L486-T488 PolarHBondContact O-OG1 2.97Å
489	L	40.9	Very low	56.6	Low	11 Å²	11	56.6 Å²	56.6	6%	0.058	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-84.9	136.3	-167.4	-66.2	168.6	0	0	0	114.5	E381 M384 P458 V460 N491 K492 S493	E381-L489 HydrophobicContact CG-CD1 3.71Å; E381-L489 HydrophobicContact CG-CG 3.83Å; E381-L489 PolarHBondContact OE1-N 3.03Å; M384-L489 HydrophobicContact CE-CD1 3.51Å; M384-L489 HydrophobicContact CE-CD2 3.84Å; M384-L489 HydrophobicContact CE-CG 4.34Å; M384-L489 HydrophobicContact SD-CD1 4.34Å; M384-L489 HydrophobicContact SD-CD2 3.63Å; P458-L489 HydrophobicContact CG-CD2 4.27Å; V460-L489 HydrophobicContact CG2-CD2 3.96Å; L489-N491 PolarHBondContact O-N 3.05Å; L489-K492 PolarHBondContact O-N 3.5Å; L489-S493 PolarHBondContact N-OG 3.28Å; L489-S493 PolarHBondContact O-OG 3.26Å
490	K	41.5	Very low	54.1	Low	79 Å²	79	57.9 Å²	57.9	34%	0.343	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-32.6	-173.5	-170	174.5	-175.5	175.5	0	114.7	I461 E516	I461-K490 HydrophobicContact CD1-CB 3.85Å; I461-K490 HydrophobicContact CD1-CD 4.13Å; I461-K490 HydrophobicContact CD1-CG 3.87Å; I461-K490 HydrophobicContact CG1-CB 4.48Å; K490-E516 IonicContact NZ-OE1 2.72Å; K490-E516 PolarHBondContact NZ-OE1 3.21Å; K490-E516 IonicContact NZ-OE2 3.18Å; K490-E516 PolarHBondContact NZ-OE2 3.41Å
491	N	37.1	Very low	51.8	Low	123 Å²	123	58.1 Å²	58.1	66%	0.658	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	7.4	-168.2	-64.9	32.7	0	0	0	115.2	L489	L489-N491 PolarHBondContact O-N 3.05Å
492	K	41	Very low	49.5	Very low	129 Å²	129	59.4 Å²	59.4	56%	0.561	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.4	-15.9	-174.8	-84.3	-174.9	168.5	-177.5	0	116.2	R377 E380 L489	R377-K492 PolarHBondContact NE-O 3.23Å; R377-K492 PolarHBondContact NH2-O 2.8Å; E380-K492 IonicContact OE2-NZ 2.97Å; E380-K492 PolarHBondContact OE2-NZ 3.03Å; L489-K492 PolarHBondContact O-N 3.5Å
493	S	37.4	Very low	47.9	Very low	8 Å²	8	60.9 Å²	60.9	6%	0.056	32%	0.323	C	S	.	.			trans	-122.3	79.1	-170.3	36.5	0	0	0	0	114.5	E381 L489 A495	E381-S493 PolarHBondContact OE1-OG 3.32Å; L489-S493 PolarHBondContact N-OG 3.28Å; L489-S493 PolarHBondContact O-OG 3.26Å; S493-A495 VanDerWaalsContact C-N 3.31Å; S493-A495 WeakPolarHBondContact O-CB 3.18Å; S493-A495 PolarHBondContact O-N 3.13Å
494	F	36.1	Very low	46.7	Very low	151 Å²	151	58.7 Å²	58.7	66%	0.662	31%	0.311	S	S	*	.			trans	-51.5	98.9	146.1	-135.3	-79.7	0	0	0	106.7	R377 E512	R377-F494 PolarHBondContact NH1-O 2.78Å; R377-F494 PolarHBondContact NH2-O 2.87Å; F494-E512 WeakPolarHBondContact CD1-OE2 3.33Å; F494-E512 HydrophobicContact CE1-CB 4.39Å; F494-E512 WeakPolarHBondContact CE1-OE2 3.21Å
495	A	39.9	Very low	46	Very low	17 Å²	17	58.6 Å²	58.6	14%	0.14	31%	0.31	C	S	.	.			trans	-116.5	91.9	-163.2	0	0	0	0	0	110.5	S493 S497	S493-A495 VanDerWaalsContact C-N 3.31Å; S493-A495 WeakPolarHBondContact O-CB 3.18Å; S493-A495 PolarHBondContact O-N 3.13Å; A495-S497 PolarHBondContact O-N 3Å
496	K	42.6	Very low	46	Very low	183 Å²	183	57.8 Å²	57.8	80%	0.796	30%	0.302	S	S	*	.			trans	-72.5	32.1	-174.6	-163.5	158.9	-175.1	159.2	0	114.5
497	S	37.5	Very low	46.2	Very low	58 Å²	58	54.5 Å²	54.5	41%	0.406	29%	0.286	S	S	.	.			trans	-124.2	102.3	-171.3	59.7	0	0	0	0	110.1	A495 I499	A495-S497 PolarHBondContact O-N 3Å; S497-I499 PolarHBondContact O-N 3.49Å
498	V	37	Very low	46.7	Very low	101 Å²	101	54.9 Å²	54.9	61%	0.612	29%	0.287	S	S	*	.			trans	-69.5	81.2	171	-176.6	0	0	0	0	108.8
499	I	48.8	Very low	47	Very low	91 Å²	91	54.7 Å²	54.7	47%	0.467	28%	0.284	S	S	.	.			trans	-126.5	88.1	179.3	-58.2	179	0	0	0	107.6	F345 S497	F345-I499 HydrophobicContact CE2-CD1 4.39Å; F345-I499 HydrophobicContact CZ-CD1 4.29Å; S497-I499 PolarHBondContact O-N 3.49Å
500	G	45.7	Very low	47.6	Very low	27 Å²	27	57.6 Å²	57.6	28%	0.278	30%	0.295	S	S	.	.	S	Bend	trans	-163.6	157.7	174.4	0	0	0	0	0	108.9	P502	G500-P502 WeakPolarHBondContact O-CD 3.46Å
501	T	46.7	Very low	48.3	Very low	36 Å²	36	60.1 Å²	60.1	22%	0.221	31%	0.308	C	S	.	.			trans	-80	114	171.9	-61.7	0	0	0	0	108	K466 E503 F504 M505 Y535	K466-T501 PolarHBondContact NZ-OG1 2.89Å; T501-E503 WeakPolarHBondContact CG2-OE2 3.39Å; T501-E503 PolarHBondContact O-N 2.98Å; T501-F504 HydrophobicContact CG2-CD2 3.86Å; T501-F504 HydrophobicContact CG2-CE2 4.32Å; T501-F504 PolarHBondContact O-N 3.49Å; T501-M505 PolarHBondContact O-N 2.98Å; T501-Y535 VanDerWaalsContact CG2-OH 3.27Å; T501-Y535 WeakPolarHBondContact CG2-OH 3.36Å
502	P	49.4	Very low	49.1	Very low	27 Å²	27	56.9 Å²	56.9	18%	0.175	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.2	-164.3	24.7	-34.1	0	0	0	114.1	G500 F504 Y510 P543	G500-P502 WeakPolarHBondContact O-CD 3.46Å; P502-F504 VanDerWaalsContact C-N 3.34Å; P502-Y510 WeakPolarHBondContact CB-OH 3.45Å; P502-P543 HydrophobicContact CB-CB 3.99Å; P502-P543 HydrophobicContact CG-CB 3.66Å; P502-P543 HydrophobicContact CG-CG 3.74Å
503	E	54.8	Low	49.9	Very low	34 Å²	34	57 Å²	57	16%	0.159	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-23	173.8	-57.4	98.2	-147.1	0	0	114.2	T501 Y535 I546	T501-E503 WeakPolarHBondContact CG2-OE2 3.39Å; T501-E503 PolarHBondContact O-N 2.98Å; E503-Y535 HydrophobicContact CB-CE1 3.9Å; E503-Y535 HydrophobicContact CG-CE1 3.76Å; E503-Y535 VanDerWaalsContact OE2-CE1 3.26Å; E503-Y535 WeakPolarHBondContact OE2-CE1 3.45Å; E503-Y535 PolarHBondContact OE2-OH 3.34Å; E503-I546 HydrophobicContact CG-CD1 3.46Å; E503-I546 VanDerWaalsContact CG-CD1 3.46Å; E503-I546 HydrophobicContact CG-CG2 4.5Å
504	F	57.1	Low	51.3	Low	9 Å²	9	57.9 Å²	57.9	4%	0.039	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-6.9	179.1	-66.2	-78.6	0	0	0	113.4	K466 T501 P502 M525 Y535	K466-F504 HydrophobicContact CB-CD1 4.2Å; K466-F504 HydrophobicContact CB-CD2 3.78Å; K466-F504 HydrophobicContact CB-CE1 4.17Å; K466-F504 HydrophobicContact CB-CE2 3.72Å; K466-F504 HydrophobicContact CB-CG 4.02Å; K466-F504 HydrophobicContact CB-CZ 3.94Å; K466-F504 HydrophobicContact CD-CD2 4.32Å; K466-F504 HydrophobicContact CD-CE2 4.29Å; T501-F504 HydrophobicContact CG2-CD2 3.86Å; T501-F504 HydrophobicContact CG2-CE2 4.32Å; T501-F504 PolarHBondContact O-N 3.49Å; P502-F504 VanDerWaalsContact C-N 3.34Å; F504-M525 HydrophobicContact CD1-CB 3.68Å; F504-M525 HydrophobicContact CE1-CB 4Å; F504-Y535 AromaticContact CE2-CE2 3.52Å; F504-Y535 HydrophobicContact CE2-CE2 3.52Å; F504-Y535 AromaticContact CE2-CZ 3.64Å; F504-Y535 WeakPolarHBondContact CE2-OH 3.31Å; F504-Y535 HydrophobicContact CZ-CD2 4.37Å; F504-Y535 AromaticContact CZ-CE2 3.67Å; F504-Y535 HydrophobicContact CZ-CE2 3.67Å
505	M	60.7	Low	53.4	Low	11 Å²	11	52.3 Å²	52.3	5%	0.054	27%	0.273	C	S	.	.			trans	-76.5	130.3	-178.3	-69.6	171.5	70.5	0	0	111	T501 M509 Y510 Y521	T501-M505 PolarHBondContact O-N 2.98Å; M505-M509 HydrophobicContact CB-CB 4.21Å; M505-M509 HydrophobicContact CB-CG 4.33Å; M505-M509 HydrophobicContact CE-CB 4.05Å; M505-M509 HydrophobicContact CE-CG 3.49Å; M505-M509 VanDerWaalsContact CE-CG 3.49Å; M505-M509 HydrophobicContact CG-CG 4.2Å; M505-Y510 HydrophobicContact CB-CE2 3.89Å; M505-Y510 HydrophobicContact CE-CD1 4.22Å; M505-Y510 HydrophobicContact CE-CD2 4.42Å; M505-Y510 HydrophobicContact CE-CE1 3.77Å; M505-Y510 HydrophobicContact CE-CE2 4Å; M505-Y510 HydrophobicContact SD-CE1 4.44Å; M505-Y521 VanDerWaalsContact O-CE1 3.32Å; M505-Y521 WeakPolarHBondContact O-CE1 3.48Å
506	A	54.6	Low	55.7	Low	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.281	C	S	.	.			trans	-67.9	153.7	168.8	0	0	0	0	0	110.6	E508 M509 V518 Y521	A506-E508 VanDerWaalsContact C-N 3.3Å; A506-E508 WeakPolarHBondContact CB-OE1 3.26Å; A506-E508 WeakPolarHBondContact CB-OE2 3.36Å; A506-E508 PolarHBondContact O-N 3.08Å; A506-M509 WeakPolarHBondContact O-CB 3.19Å; A506-M509 PolarHBondContact O-N 2.8Å; A506-V518 HydrophobicContact CB-CB 4.35Å; A506-V518 HydrophobicContact CB-CG1 4.11Å; A506-Y521 HydrophobicContact CB-CD1 3.85Å; A506-Y521 HydrophobicContact CB-CD2 4.34Å; A506-Y521 HydrophobicContact CB-CE1 4.44Å; A506-Y521 HydrophobicContact CB-CG 3.8Å
507	P	58.4	Low	58	Low	16 Å²	16	46.6 Å²	46.6	10%	0.104	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-57.9	-38.1	-176.2	20.1	-30.5	0	0	0	113.6	M509 Y510 V550 I551 V579	P507-M509 VanDerWaalsContact C-N 3.26Å; P507-M509 PolarHBondContact O-N 3.14Å; P507-Y510 WeakPolarHBondContact O-CD2 3.24Å; P507-Y510 PolarHBondContact O-N 3.38Å; P507-V550 HydrophobicContact CB-CG1 4.03Å; P507-V550 HydrophobicContact CG-CG1 4.15Å; P507-I551 HydrophobicContact CB-CG2 4.09Å; P507-V579 HydrophobicContact CG-CG1 4.14Å; P507-V579 WeakPolarHBondContact CG-O 3.39Å
508	E	65.9	Low	60.5	Low	13 Å²	13	43.9 Å²	43.9	6%	0.061	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-74.4	-10.4	178	75.9	-73.6	179.5	0	0	114	A506 Y510 E511 S517 V518 R584	A506-E508 VanDerWaalsContact C-N 3.3Å; A506-E508 WeakPolarHBondContact CB-OE1 3.26Å; A506-E508 WeakPolarHBondContact CB-OE2 3.36Å; A506-E508 PolarHBondContact O-N 3.08Å; E508-Y510 PolarHBondContact O-N 3.33Å; E508-Y510 VanDerWaalsContact O-N 3.14Å; E508-E511 PolarHBondContact O-N 2.69Å; E508-S517 PolarHBondContact OE1-OG 3.32Å; E508-V518 HydrophobicContact CG-CG1 4.44Å; E508-V518 WeakPolarHBondContact OE1-CG1 3.4Å; E508-R584 IonicContact OE1-CZ 3.5Å; E508-R584 IonicContact OE1-NH1 2.7Å; E508-R584 PolarHBondContact OE1-NH1 3.25Å; E508-R584 IonicContact OE1-NH2 2.84Å; E508-R584 PolarHBondContact OE1-NH2 3.46Å; E508-R584 IonicContact OE2-CZ 3.7Å; E508-R584 IonicContact OE2-NH1 3.36Å; E508-R584 PolarHBondContact OE2-NH1 2.71Å; E508-R584 IonicContact OE2-NH2 3.24Å; E508-R584 PolarHBondContact OE2-NH2 3.23Å
509	M	54	Low	63.1	Low	25 Å²	25	39.1 Å²	39.1	12%	0.123	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-60.7	-23.9	174.3	-168.6	70.3	86.7	0	0	111.7	R463 M505 A506 P507 Y514 V518	R463-M509 HydrophobicContact CB-CE 4.14Å; R463-M509 WeakPolarHBondContact O-CE 3.46Å; M505-M509 HydrophobicContact CB-CB 4.21Å; M505-M509 HydrophobicContact CB-CG 4.33Å; M505-M509 HydrophobicContact CE-CB 4.05Å; M505-M509 HydrophobicContact CE-CG 3.49Å; M505-M509 VanDerWaalsContact CE-CG 3.49Å; M505-M509 HydrophobicContact CG-CG 4.2Å; A506-M509 WeakPolarHBondContact O-CB 3.19Å; A506-M509 PolarHBondContact O-N 2.8Å; P507-M509 VanDerWaalsContact C-N 3.26Å; P507-M509 PolarHBondContact O-N 3.14Å; M509-Y514 HydrophobicContact SD-CD1 3.64Å; M509-Y514 HydrophobicContact SD-CE1 4.19Å; M509-Y514 HydrophobicContact SD-CG 3.94Å; M509-V518 HydrophobicContact CE-CB 3.59Å; M509-V518 HydrophobicContact CE-CG1 3.83Å; M509-V518 HydrophobicContact CE-CG2 3.66Å; M509-V518 HydrophobicContact SD-CG1 4.29Å
510	Y	52.7	Low	65.3	Low	71 Å²	71	35 Å²	35	28%	0.278	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-84.8	-7.5	178.7	-62.1	-90.1	0	0	0	113.8	P502 M505 P507 E508 Y547	P502-Y510 WeakPolarHBondContact CB-OH 3.45Å; M505-Y510 HydrophobicContact CB-CE2 3.89Å; M505-Y510 HydrophobicContact CE-CD1 4.22Å; M505-Y510 HydrophobicContact CE-CD2 4.42Å; M505-Y510 HydrophobicContact CE-CE1 3.77Å; M505-Y510 HydrophobicContact CE-CE2 4Å; M505-Y510 HydrophobicContact SD-CE1 4.44Å; P507-Y510 WeakPolarHBondContact O-CD2 3.24Å; P507-Y510 PolarHBondContact O-N 3.38Å; E508-Y510 PolarHBondContact O-N 3.33Å; E508-Y510 VanDerWaalsContact O-N 3.14Å; Y510-Y547 HydrophobicContact CD1-CD2 4.3Å; Y510-Y547 HydrophobicContact CD1-CE2 4.18Å; Y510-Y547 AromaticContact CD2-CD2 3.79Å; Y510-Y547 HydrophobicContact CD2-CD2 3.79Å; Y510-Y547 AromaticContact CD2-CE2 3.61Å; Y510-Y547 HydrophobicContact CD2-CE2 3.61Å; Y510-Y547 HydrophobicContact CE1-CD2 4.19Å; Y510-Y547 AromaticContact CE2-CD2 3.66Å; Y510-Y547 HydrophobicContact CE2-CD2 3.66Å; Y510-Y547 HydrophobicContact CE2-CE2 4.01Å; Y510-Y547 HydrophobicContact CG-CD2 4.11Å; Y510-Y547 AromaticContact CG-CE2 3.7Å; Y510-Y547 HydrophobicContact CG-CE2 3.7Å; Y510-Y547 AromaticContact CZ-CD2 3.87Å
511	E	56.9	Low	67.6	Low	133 Å²	133	33.9 Å²	33.9	62%	0.621	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-100.6	8.5	-176.4	-58.7	-171.1	150	0	0	113.5	E508 M513	E508-E511 PolarHBondContact O-N 2.69Å; E511-M513 PolarHBondContact O-N 2.63Å
512	E	53.8	Low	69.9	Low	55 Å²	55	32.3 Å²	32.3	26%	0.257	16%	0.156	S	C	.	.	S	Bend	trans	57.9	-3.9	-175.6	-59.4	-169.6	-159.2	0	0	116.1	F494	F494-E512 WeakPolarHBondContact CD1-OE2 3.33Å; F494-E512 HydrophobicContact CE1-CB 4.39Å; F494-E512 WeakPolarHBondContact CE1-OE2 3.21Å
513	M	56.9	Low	72.2	Confident	131 Å²	131	31 Å²	31	65%	0.645	15%	0.148	S	C	*	.			trans	-113	51.3	-178.3	-63.4	-162.7	-62.7	0	0	114.4	E511 R581	E511-M513 PolarHBondContact O-N 2.63Å; M513-R581 PolarHBondContact O-NH1 3.18Å
514	Y	67.5	Low	74.2	Confident	26 Å²	26	29.4 Å²	29.4	10%	0.102	14%	0.14	C	C	.	.			trans	-83.4	158.4	177.2	38.4	-102.4	0	0	0	113.6	R463 M509	R463-Y514 PolarHBondContact NH1-OH 2.91Å; M509-Y514 HydrophobicContact SD-CD1 3.64Å; M509-Y514 HydrophobicContact SD-CE1 4.19Å; M509-Y514 HydrophobicContact SD-CG 3.94Å
515	D	81.2	Confident	76	Confident	35 Å²	35	29 Å²	29	19%	0.187	14%	0.138	C	C	.	.			trans	-130.7	-168.6	172.6	64.1	44.4	0	0	0	111.2	S517 V518 R581	D515-S517 PolarHBondContact O-N 3.26Å; D515-S517 WeakPolarHBondContact OD1-CB 3.17Å; D515-S517 PolarHBondContact OD1-N 3.44Å; D515-S517 PolarHBondContact OD1-OG 3.3Å; D515-V518 WeakPolarHBondContact O-CG2 3.47Å; D515-V518 PolarHBondContact O-N 3.25Å; D515-R581 IonicContact OD2-NH1 2.84Å
516	E	87.6	Confident	77.7	Confident	69 Å²	69	28.4 Å²	28.4	32%	0.322	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-16.6	176.6	51.6	-90.2	-155.5	0	0	115.7	H454 K490 V518 D519	H454-E516 HydrophobicContact CB-CB 4.48Å; K490-E516 IonicContact NZ-OE1 2.72Å; K490-E516 PolarHBondContact NZ-OE1 3.21Å; K490-E516 IonicContact NZ-OE2 3.18Å; K490-E516 PolarHBondContact NZ-OE2 3.41Å; E516-V518 PolarHBondContact O-N 3.38Å; E516-D519 PolarHBondContact O-N 2.96Å
517	S	90.8	Very high	79.7	Confident	10 Å²	10	28.4 Å²	28.4	7%	0.07	14%	0.136	C	C	.	.	H	α-helix	trans	-66.8	-18.9	176.9	74	0	0	0	0	114.1	E508 D515 D519 V520 Y521 R581 R584	E508-S517 PolarHBondContact OE1-OG 3.32Å; D515-S517 PolarHBondContact O-N 3.26Å; D515-S517 WeakPolarHBondContact OD1-CB 3.17Å; D515-S517 PolarHBondContact OD1-N 3.44Å; D515-S517 PolarHBondContact OD1-OG 3.3Å; S517-D519 VanDerWaalsContact C-N 3.34Å; S517-V520 PolarHBondContact O-N 2.88Å; S517-Y521 PolarHBondContact O-N 2.94Å; S517-Y521 VanDerWaalsContact O-N 3.08Å; S517-R581 VanDerWaalsContact OG-CB 3.23Å; S517-R581 WeakPolarHBondContact OG-CB 3.34Å; S517-R584 PolarHBondContact O-NH1 2.89Å; S517-R584 PolarHBondContact OG-NH1 3.14Å
518	V	89	Confident	81.5	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-67.6	-38	174.2	-57.4	0	0	0	0	111.1	I461 A506 E508 M509 D515 E516 V520 Y521 A522	I461-V518 HydrophobicContact CG2-CG2 3.57Å; A506-V518 HydrophobicContact CB-CB 4.35Å; A506-V518 HydrophobicContact CB-CG1 4.11Å; E508-V518 HydrophobicContact CG-CG1 4.44Å; E508-V518 WeakPolarHBondContact OE1-CG1 3.4Å; M509-V518 HydrophobicContact CE-CB 3.59Å; M509-V518 HydrophobicContact CE-CG1 3.83Å; M509-V518 HydrophobicContact CE-CG2 3.66Å; M509-V518 HydrophobicContact SD-CG1 4.29Å; D515-V518 WeakPolarHBondContact O-CG2 3.47Å; D515-V518 PolarHBondContact O-N 3.25Å; E516-V518 PolarHBondContact O-N 3.38Å; V518-V520 VanDerWaalsContact C-N 3.3Å; V518-V520 PolarHBondContact O-N 3.3Å; V518-Y521 PolarHBondContact O-N 3.24Å; V518-A522 WeakPolarHBondContact O-CB 3.33Å; V518-A522 PolarHBondContact O-N 3.38Å
519	D	92.3	Very high	82.9	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-72.3	-28.4	178.7	-63.1	-20.7	0	0	0	111	L450 H454 H462 R463 L465 E516 S517 F523	L450-D519 HydrophobicContact CD1-CB 4.21Å; L450-D519 HydrophobicContact CD2-CB 3.99Å; H454-D519 IonicContact CD2-OD2 3.31Å; H454-D519 IonicContact CE1-OD2 2.73Å; H454-D519 IonicContact NE2-OD2 3.82Å; H454-D519 PolarHBondContact NE2-OD2 3.29Å; H462-D519 WeakPolarHBondContact CB-OD1 3.36Å; H462-D519 PolarHBondContact N-OD1 3.08Å; H462-D519 PolarHBondContact N-OD2 2.87Å; R463-D519 PolarHBondContact N-OD1 3.46Å; L465-D519 WeakPolarHBondContact CD2-O 3.24Å; E516-D519 PolarHBondContact O-N 2.96Å; S517-D519 VanDerWaalsContact C-N 3.34Å; D519-F523 VanDerWaalsContact O-CB 3.23Å; D519-F523 WeakPolarHBondContact O-CB 3.41Å; D519-F523 PolarHBondContact O-N 3.44Å
520	V	95.6	Very high	84.8	Confident	5 Å²	5	26.6 Å²	26.6	3%	0.03	13%	0.125	C	C	.	.	H	α-helix	trans	-66.3	-48.5	170.5	171.5	0	0	0	0	111.1	S517 V518 A522 F523 G524 C576 R584 S585 V587 L590	S517-V520 PolarHBondContact O-N 2.88Å; V518-V520 VanDerWaalsContact C-N 3.3Å; V518-V520 PolarHBondContact O-N 3.3Å; V520-A522 VanDerWaalsContact C-N 3.35Å; V520-A522 PolarHBondContact O-N 3.16Å; V520-F523 WeakPolarHBondContact O-CB 3.47Å; V520-F523 PolarHBondContact O-N 2.91Å; V520-G524 PolarHBondContact O-N 3.47Å; V520-C576 HydrophobicContact CG1-CB 4.19Å; V520-R584 HydrophobicContact CG1-CB 4.1Å; V520-S585 WeakPolarHBondContact CG1-O 3.35Å; V520-V587 HydrophobicContact CG2-CG2 3.71Å; V520-L590 HydrophobicContact CG1-CD1 4.3Å
521	Y	94.6	Very high	86.8	Confident	4 Å²	4	24.6 Å²	24.6	2%	0.016	12%	0.12	C	C	.	.	H	α-helix	trans	-59.6	-47.4	177.1	178.3	-87.2	0	0	0	111	M505 A506 S517 V518 F523 G524 M525 V550 C576 I577	M505-Y521 VanDerWaalsContact O-CE1 3.32Å; M505-Y521 WeakPolarHBondContact O-CE1 3.48Å; A506-Y521 HydrophobicContact CB-CD1 3.85Å; A506-Y521 HydrophobicContact CB-CD2 4.34Å; A506-Y521 HydrophobicContact CB-CE1 4.44Å; A506-Y521 HydrophobicContact CB-CG 3.8Å; S517-Y521 PolarHBondContact O-N 2.94Å; S517-Y521 VanDerWaalsContact O-N 3.08Å; V518-Y521 PolarHBondContact O-N 3.24Å; Y521-F523 PolarHBondContact O-N 2.88Å; Y521-G524 WeakPolarHBondContact O-CA 3.41Å; Y521-G524 PolarHBondContact O-N 3.31Å; Y521-G524 VanDerWaalsContact O-N 3.12Å; Y521-M525 HydrophobicContact CD1-CG 4.44Å; Y521-M525 HydrophobicContact CE1-CE 3.98Å; Y521-M525 HydrophobicContact CE1-CG 4.11Å; Y521-M525 HydrophobicContact CE2-CE 4.1Å; Y521-M525 PolarHBondContact O-N 3.23Å; Y521-M525 VanDerWaalsContact OH-CE 3.29Å; Y521-M525 WeakPolarHBondContact OH-CE 3.48Å; Y521-V550 WeakPolarHBondContact OH-CG1 3.5Å; Y521-V550 WeakPolarHBondContact OH-CG2 3.46Å; Y521-C576 WeakPolarHBondContact CA-O 3.49Å; Y521-I577 HydrophobicContact CD2-CB 4.22Å; Y521-I577 HydrophobicContact CE2-CB 4.08Å
522	A	93.9	Very high	88.5	Confident	2 Å²	2	19.6 Å²	19.6	2%	0.017	10%	0.099	C	C	.	.	H	α-helix	trans	-63.5	-36.8	176.5	0	0	0	0	0	112.8	L465 V518 V520 M525 C526	L465-A522 HydrophobicContact CB-CB 3.82Å; L465-A522 HydrophobicContact CD2-CB 4.2Å; L465-A522 HydrophobicContact CG-CB 4.4Å; L465-A522 WeakPolarHBondContact O-CB 3.43Å; V518-A522 WeakPolarHBondContact O-CB 3.33Å; V518-A522 PolarHBondContact O-N 3.38Å; V520-A522 VanDerWaalsContact C-N 3.35Å; V520-A522 PolarHBondContact O-N 3.16Å; A522-M525 PolarHBondContact O-N 3Å; A522-C526 PolarHBondContact O-N 3.48Å; A522-C526 PolarHBondContact O-SG 3.17Å
523	F	97.4	Very high	90.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62	-42.6	170.7	166	-97	0	0	0	111.8	C443 I446 L447 L450 L465 D519 V520 Y521 M525 C526 L527 L590 F596	C443-F523 HydrophobicContact CB-CE2 3.96Å; C443-F523 HydrophobicContact CB-CZ 4.01Å; I446-F523 HydrophobicContact CB-CD2 4.34Å; I446-F523 HydrophobicContact CB-CE2 4.43Å; I446-F523 HydrophobicContact CG2-CD2 3.82Å; I446-F523 HydrophobicContact CG2-CE2 4.4Å; L447-F523 HydrophobicContact CD1-CE1 4.19Å; L447-F523 HydrophobicContact CD1-CE2 4.22Å; L447-F523 HydrophobicContact CD1-CZ 3.71Å; L447-F523 HydrophobicContact CD2-CD1 3.95Å; L447-F523 HydrophobicContact CD2-CD2 4.13Å; L447-F523 HydrophobicContact CD2-CE1 3.82Å; L447-F523 HydrophobicContact CD2-CE2 4Å; L447-F523 HydrophobicContact CD2-CG 4.1Å; L447-F523 HydrophobicContact CD2-CZ 3.85Å; L447-F523 HydrophobicContact CG-CD2 4.27Å; L447-F523 HydrophobicContact CG-CE1 4.18Å; L447-F523 HydrophobicContact CG-CE2 3.74Å; L447-F523 HydrophobicContact CG-CZ 3.69Å; L450-F523 HydrophobicContact CD1-CB 4.21Å; L465-F523 HydrophobicContact CD2-CB 4.16Å; D519-F523 VanDerWaalsContact O-CB 3.23Å; D519-F523 WeakPolarHBondContact O-CB 3.41Å; D519-F523 PolarHBondContact O-N 3.44Å; V520-F523 WeakPolarHBondContact O-CB 3.47Å; V520-F523 PolarHBondContact O-N 2.91Å; Y521-F523 PolarHBondContact O-N 2.88Å; F523-M525 VanDerWaalsContact C-N 3.32Å; F523-M525 PolarHBondContact O-N 2.88Å; F523-C526 WeakPolarHBondContact O-CB 3.48Å; F523-C526 PolarHBondContact O-N 2.95Å; F523-L527 HydrophobicContact CE1-CD2 4.44Å; F523-L527 HydrophobicContact CZ-CD2 4.49Å; F523-L527 WeakPolarHBondContact O-CB 3.47Å; F523-L527 PolarHBondContact O-N 3.1Å; F523-L590 HydrophobicContact CD1-CD1 4.1Å; F523-L590 HydrophobicContact CE1-CD1 4.12Å; F523-F596 HydrophobicContact CE1-CZ 4.44Å; F523-F596 HydrophobicContact CZ-CE2 4.28Å; F523-F596 AromaticContact CZ-CZ 3.88Å; F523-F596 HydrophobicContact CZ-CZ 3.88Å
524	G	96.7	Very high	91.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-58	-42.7	174	0	0	0	0	0	112.7	V520 Y521 L527 L528	V520-G524 PolarHBondContact O-N 3.47Å; Y521-G524 WeakPolarHBondContact O-CA 3.41Å; Y521-G524 PolarHBondContact O-N 3.31Å; Y521-G524 VanDerWaalsContact O-N 3.12Å; G524-L527 PolarHBondContact O-N 2.74Å; G524-L528 WeakPolarHBondContact O-CB 3.26Å; G524-L528 PolarHBondContact O-N 2.76Å
525	M	95.4	Very high	93	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-68.8	-36.8	174.8	-67.6	-58	-177.7	0	0	113	F504 Y521 A522 F523 L528 E529 P536 Y537 P556 I577	F504-M525 HydrophobicContact CD1-CB 3.68Å; F504-M525 HydrophobicContact CE1-CB 4Å; Y521-M525 HydrophobicContact CD1-CG 4.44Å; Y521-M525 HydrophobicContact CE1-CE 3.98Å; Y521-M525 HydrophobicContact CE1-CG 4.11Å; Y521-M525 HydrophobicContact CE2-CE 4.1Å; Y521-M525 PolarHBondContact O-N 3.23Å; Y521-M525 VanDerWaalsContact OH-CE 3.29Å; Y521-M525 WeakPolarHBondContact OH-CE 3.48Å; A522-M525 PolarHBondContact O-N 3Å; F523-M525 VanDerWaalsContact C-N 3.32Å; F523-M525 PolarHBondContact O-N 2.88Å; M525-L528 PolarHBondContact O-N 2.93Å; M525-L528 HydrophobicContact SD-CD2 4.11Å; M525-E529 PolarHBondContact O-N 3.22Å; M525-P536 HydrophobicContact CB-CG 4.29Å; M525-P536 HydrophobicContact SD-CB 3.94Å; M525-P536 HydrophobicContact SD-CG 4.22Å; M525-Y537 HydrophobicContact CE-CE2 3.87Å; M525-P556 HydrophobicContact CE-CG 3.95Å; M525-P556 HydrophobicContact SD-CG 4.03Å; M525-I577 HydrophobicContact CE-CB 4.1Å; M525-I577 HydrophobicContact CE-CD1 4.3Å; M525-I577 HydrophobicContact CE-CG2 3.88Å; M525-I577 HydrophobicContact CG-CG2 4.26Å; M525-I577 HydrophobicContact SD-CG2 4.05Å
526	C	96.8	Very high	93.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.1	-39.7	172.3	-66.7	0	0	0	0	111.9	K466 I470 A522 F523 E529 M530	K466-C526 VanDerWaalsContact CA-SG 3.53Å; I470-C526 HydrophobicContact CD1-CB 4.37Å; A522-C526 PolarHBondContact O-N 3.48Å; A522-C526 PolarHBondContact O-SG 3.17Å; F523-C526 WeakPolarHBondContact O-CB 3.48Å; F523-C526 PolarHBondContact O-N 2.95Å; C526-E529 PolarHBondContact O-N 3.04Å; C526-M530 WeakPolarHBondContact O-CB 3.09Å; C526-M530 WeakPolarHBondContact O-CG 3.36Å; C526-M530 PolarHBondContact O-N 3.14Å
527	L	96.6	Very high	93.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-65.5	-41.1	174.8	176	57	0	0	0	111.3	L439 F523 G524 M530 V531 I569 I572 I573 F596	L439-L527 HydrophobicContact CD1-CD1 4.07Å; L439-L527 HydrophobicContact CD2-CD1 4.14Å; L439-L527 HydrophobicContact CG-CD1 4.25Å; F523-L527 HydrophobicContact CE1-CD2 4.44Å; F523-L527 HydrophobicContact CZ-CD2 4.49Å; F523-L527 WeakPolarHBondContact O-CB 3.47Å; F523-L527 PolarHBondContact O-N 3.1Å; G524-L527 PolarHBondContact O-N 2.74Å; L527-M530 PolarHBondContact O-N 3.35Å; L527-V531 HydrophobicContact CD1-CG2 3.81Å; L527-V531 HydrophobicContact CG-CG2 4.45Å; L527-V531 WeakPolarHBondContact O-CB 3.4Å; L527-V531 WeakPolarHBondContact O-CG2 3.44Å; L527-V531 PolarHBondContact O-N 3.49Å; L527-I569 HydrophobicContact CD1-CG2 4.3Å; L527-I569 HydrophobicContact CG-CG2 4.41Å; L527-I572 HydrophobicContact CD2-CB 4.44Å; L527-I572 HydrophobicContact CD2-CG2 3.63Å; L527-I573 HydrophobicContact CB-CG1 4.18Å; L527-I573 HydrophobicContact CD2-CD1 4.44Å; L527-I573 HydrophobicContact CD2-CG1 3.66Å; L527-I573 HydrophobicContact CG-CD1 3.99Å; L527-I573 HydrophobicContact CG-CG1 3.64Å; L527-F596 HydrophobicContact CD2-CZ 4.43Å
528	L	95.9	Very high	93.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.4	-46.9	174.2	-179.5	60.6	0	0	0	112.3	G524 M525 M530 V531 T532 P536 P556 F559 I562 I573	G524-L528 WeakPolarHBondContact O-CB 3.26Å; G524-L528 PolarHBondContact O-N 2.76Å; M525-L528 PolarHBondContact O-N 2.93Å; M525-L528 HydrophobicContact SD-CD2 4.11Å; L528-M530 VanDerWaalsContact C-N 3.34Å; L528-M530 PolarHBondContact O-N 3.03Å; L528-V531 PolarHBondContact O-N 3.27Å; L528-T532 HydrophobicContact CD1-CG2 3.82Å; L528-T532 WeakPolarHBondContact O-CB 3.39Å; L528-T532 WeakPolarHBondContact O-CG2 3.36Å; L528-T532 PolarHBondContact O-N 3.32Å; L528-T532 PolarHBondContact O-OG1 2.76Å; L528-P536 HydrophobicContact CD2-CB 4.49Å; L528-P536 HydrophobicContact CD2-CG 4.4Å; L528-P556 HydrophobicContact CD2-CB 4.01Å; L528-P556 HydrophobicContact CD2-CG 3.78Å; L528-F559 HydrophobicContact CD1-CB 4.49Å; L528-I562 HydrophobicContact CD1-CD1 3.96Å; L528-I562 HydrophobicContact CD1-CG1 3.91Å; L528-I573 HydrophobicContact CB-CD1 4.15Å; L528-I573 HydrophobicContact CB-CG2 4.29Å; L528-I573 HydrophobicContact CD1-CD1 4.23Å
529	E	94.9	Very high	94	Very high	11 Å²	11	18.5 Å²	18.5	5%	0.051	11%	0.107	C	C	.	.	H	α-helix	trans	-61.5	-41.7	176	-165	-174.5	175.6	0	0	111.2	L428 C467 M525 C526 V531 G533 P536	L428-E529 HydrophobicContact CD1-CG 4.08Å; C467-E529 VanDerWaalsContact CB-OE2 3.22Å; C467-E529 WeakPolarHBondContact CB-OE2 3.36Å; C467-E529 PolarHBondContact SG-OE2 2.82Å; M525-E529 PolarHBondContact O-N 3.22Å; C526-E529 PolarHBondContact O-N 3.04Å; E529-V531 PolarHBondContact O-N 2.77Å; E529-G533 WeakPolarHBondContact O-CA 3.27Å; E529-G533 PolarHBondContact O-N 3.22Å; E529-P536 HydrophobicContact CB-CG 4.43Å
530	M	94.7	Very high	94	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.025	11%	0.113	C	C	.	.	H	α-helix	trans	-65.1	-33.8	177.7	-83.2	-168.2	-76.3	0	0	114.5	L424 L428 I434 L439 W442 C443 I446 C526 L527 L528	L424-M530 HydrophobicContact CD1-CG 3.9Å; L424-M530 HydrophobicContact CD1-SD 3.79Å; L424-M530 HydrophobicContact CD2-CE 4.09Å; L424-M530 HydrophobicContact CD2-CG 3.81Å; L424-M530 HydrophobicContact CD2-SD 3.56Å; L424-M530 VanDerWaalsContact CD2-SD 3.56Å; L424-M530 HydrophobicContact CG-CG 4.07Å; L424-M530 HydrophobicContact CG-SD 4.18Å; L428-M530 HydrophobicContact CD1-CG 4.14Å; I434-M530 HydrophobicContact CD1-CB 3.94Å; I434-M530 HydrophobicContact CD1-CG 3.77Å; I434-M530 HydrophobicContact CD1-SD 4.19Å; L439-M530 HydrophobicContact CD1-CB 3.5Å; L439-M530 HydrophobicContact CD1-CE 4.16Å; L439-M530 HydrophobicContact CD1-CG 4.2Å; L439-M530 HydrophobicContact CD1-SD 3.71Å; W442-M530 HydrophobicContact CE3-SD 4.35Å; C443-M530 WeakPolarHBondContact SG-CE 3.39Å; I446-M530 HydrophobicContact CD1-CE 4.19Å; C526-M530 WeakPolarHBondContact O-CB 3.09Å; C526-M530 WeakPolarHBondContact O-CG 3.36Å; C526-M530 PolarHBondContact O-N 3.14Å; L527-M530 PolarHBondContact O-N 3.35Å; L528-M530 VanDerWaalsContact C-N 3.34Å; L528-M530 PolarHBondContact O-N 3.03Å
531	V	94.2	Very high	93.6	Very high	28 Å²	28	28.5 Å²	28.5	17%	0.17	16%	0.158	C	C	.	.	H	α-helix	trans	-85	-39.7	-175	168.9	0	0	0	0	111.7	L439 L527 L528 E529 I562 I569	L439-V531 HydrophobicContact CD1-CG2 4.36Å; L439-V531 HydrophobicContact CD2-CG2 3.59Å; L527-V531 HydrophobicContact CD1-CG2 3.81Å; L527-V531 HydrophobicContact CG-CG2 4.45Å; L527-V531 WeakPolarHBondContact O-CB 3.4Å; L527-V531 WeakPolarHBondContact O-CG2 3.44Å; L527-V531 PolarHBondContact O-N 3.49Å; L528-V531 PolarHBondContact O-N 3.27Å; E529-V531 PolarHBondContact O-N 2.77Å; V531-I562 HydrophobicContact CG1-CG2 4.19Å; V531-I569 HydrophobicContact CG1-CG2 4.27Å; V531-I569 HydrophobicContact CG2-CD1 4.39Å; V531-I569 HydrophobicContact CG2-CG2 3.63Å
532	T	92.4	Very high	93	Very high	28 Å²	28	31.1 Å²	31.1	17%	0.172	17%	0.172	C	C	.	.	H	α-helix	trans	-86.1	-30.3	-178.7	58.9	0	0	0	0	112.5	L528 E534 C558	L528-T532 HydrophobicContact CD1-CG2 3.82Å; L528-T532 WeakPolarHBondContact O-CB 3.39Å; L528-T532 WeakPolarHBondContact O-CG2 3.36Å; L528-T532 PolarHBondContact O-N 3.32Å; L528-T532 PolarHBondContact O-OG1 2.76Å; T532-E534 PolarHBondContact O-N 3.1Å; T532-E534 PolarHBondContact OG1-N 2.84Å; T532-E534 VanDerWaalsContact OG1-N 3.11Å; T532-E534 PolarHBondContact OG1-O 3.02Å; T532-C558 HydrophobicContact CG2-CB 4.12Å; T532-C558 WeakPolarHBondContact CG2-O 3.45Å
533	G	90.9	Very high	92.4	Very high	37 Å²	37	31.9 Å²	31.9	38%	0.381	18%	0.176	S	C	.	.	S	Bend	trans	72.5	10.9	-166.1	0	0	0	0	0	113.3	E529	E529-G533 WeakPolarHBondContact O-CA 3.27Å; E529-G533 PolarHBondContact O-N 3.22Å
534	E	90.8	Very high	91.6	Very high	72 Å²	72	32.3 Å²	32.3	34%	0.336	18%	0.18	S	C	.	.	S	Bend	trans	-121.1	144.2	-176	-62.3	-175	140.4	0	0	110.5	T532 C558 R561	T532-E534 PolarHBondContact O-N 3.1Å; T532-E534 PolarHBondContact OG1-N 2.84Å; T532-E534 VanDerWaalsContact OG1-N 3.11Å; T532-E534 PolarHBondContact OG1-O 3.02Å; E534-C558 HydrophobicContact CB-CB 4.33Å; E534-R561 IonicContact OE1-NH1 3.18Å; E534-R561 PolarHBondContact OE1-NH1 2.92Å; E534-R561 WeakPolarHBondContact OE2-CD 3.38Å; E534-R561 IonicContact OE2-CZ 2.69Å; E534-R561 IonicContact OE2-NE 2.74Å; E534-R561 IonicContact OE2-NH1 3.93Å; E534-R561 PolarHBondContact OE2-NH1 3.48Å
535	Y	90.8	Very high	91.2	Very high	57 Å²	57	34.4 Å²	34.4	22%	0.224	19%	0.193	C	C	.	.			trans	-75.3	131.1	-177.4	-168	-102.2	0	0	0	110.8	T501 E503 F504 S538	T501-Y535 VanDerWaalsContact CG2-OH 3.27Å; T501-Y535 WeakPolarHBondContact CG2-OH 3.36Å; E503-Y535 HydrophobicContact CB-CE1 3.9Å; E503-Y535 HydrophobicContact CG-CE1 3.76Å; E503-Y535 VanDerWaalsContact OE2-CE1 3.26Å; E503-Y535 WeakPolarHBondContact OE2-CE1 3.45Å; E503-Y535 PolarHBondContact OE2-OH 3.34Å; F504-Y535 AromaticContact CE2-CE2 3.52Å; F504-Y535 HydrophobicContact CE2-CE2 3.52Å; F504-Y535 AromaticContact CE2-CZ 3.64Å; F504-Y535 WeakPolarHBondContact CE2-OH 3.31Å; F504-Y535 HydrophobicContact CZ-CD2 4.37Å; F504-Y535 AromaticContact CZ-CE2 3.67Å; F504-Y535 HydrophobicContact CZ-CE2 3.67Å; Y535-S538 VanDerWaalsContact O-CB 3.23Å; Y535-S538 WeakPolarHBondContact O-CB 3.38Å; Y535-S538 PolarHBondContact O-N 3.43Å; Y535-S538 PolarHBondContact O-OG 3.42Å
536	P	92.8	Very high	90.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	142	177.9	-26.9	35.6	0	0	0	112.7	M525 L528 E529 S538 P556	M525-P536 HydrophobicContact CB-CG 4.29Å; M525-P536 HydrophobicContact SD-CB 3.94Å; M525-P536 HydrophobicContact SD-CG 4.22Å; L528-P536 HydrophobicContact CD2-CB 4.49Å; L528-P536 HydrophobicContact CD2-CG 4.4Å; E529-P536 HydrophobicContact CB-CG 4.43Å; P536-S538 PolarHBondContact O-N 2.73Å; P536-S538 VanDerWaalsContact O-N 3.11Å; P536-P556 HydrophobicContact CB-CG 4.29Å
537	Y	93.9	Very high	90.2	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.027	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	19.7	-178.5	-65.9	-65.5	0	0	0	116	M525 E539 C540 I546 K549 V550 V554 P556	M525-Y537 HydrophobicContact CE-CE2 3.87Å; Y537-E539 VanDerWaalsContact CA-OE2 3.24Å; Y537-E539 WeakPolarHBondContact CA-OE2 3.47Å; Y537-E539 PolarHBondContact O-N 2.88Å; Y537-C540 VanDerWaalsContact O-CB 3.28Å; Y537-C540 WeakPolarHBondContact O-CB 3.43Å; Y537-C540 PolarHBondContact O-N 3.5Å; Y537-I546 HydrophobicContact CD1-CG2 4.48Å; Y537-I546 HydrophobicContact CD2-CG2 3.63Å; Y537-I546 HydrophobicContact CE2-CG2 4.23Å; Y537-I546 HydrophobicContact CG-CG2 3.77Å; Y537-K549 HydrophobicContact CD1-CD 3.92Å; Y537-K549 HydrophobicContact CE1-CB 3.93Å; Y537-K549 HydrophobicContact CE1-CD 3.85Å; Y537-V550 HydrophobicContact CD2-CG2 4.42Å; Y537-V550 HydrophobicContact CE2-CG2 3.52Å; Y537-V554 VanDerWaalsContact CE1-O 3.29Å; Y537-V554 WeakPolarHBondContact CE1-O 3.43Å; Y537-V554 PolarHBondContact OH-O 3.44Å; Y537-P556 HydrophobicContact CD1-CB 4.15Å; Y537-P556 HydrophobicContact CD1-CG 4.16Å; Y537-P556 HydrophobicContact CD2-CG 3.95Å; Y537-P556 HydrophobicContact CE1-CB 4.2Å; Y537-P556 HydrophobicContact CE1-CG 3.9Å; Y537-P556 HydrophobicContact CE2-CG 3.68Å; Y537-P556 HydrophobicContact CG-CB 4.34Å; Y537-P556 HydrophobicContact CG-CG 4.19Å
538	S	91.8	Very high	89.7	Confident	75 Å²	75	43 Å²	43	52%	0.524	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-10.7	178.5	48.9	0	0	0	0	115.1	Y535 P536 C540	Y535-S538 VanDerWaalsContact O-CB 3.23Å; Y535-S538 WeakPolarHBondContact O-CB 3.38Å; Y535-S538 PolarHBondContact O-N 3.43Å; Y535-S538 PolarHBondContact O-OG 3.42Å; P536-S538 PolarHBondContact O-N 2.73Å; P536-S538 VanDerWaalsContact O-N 3.11Å; S538-C540 PolarHBondContact O-N 2.68Å
539	E	92.1	Very high	89.5	Confident	58 Å²	58	45.3 Å²	45.3	27%	0.271	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-5.8	167.7	77.5	-74.8	175.8	0	0	114	Y537 K549 E557	Y537-E539 VanDerWaalsContact CA-OE2 3.24Å; Y537-E539 WeakPolarHBondContact CA-OE2 3.47Å; Y537-E539 PolarHBondContact O-N 2.88Å; E539-K549 VanDerWaalsContact CG-NZ 3.27Å; E539-K549 IonicContact OE1-NZ 2.9Å; E539-K549 PolarHBondContact OE1-NZ 3.07Å; E539-E557 HydrophobicContact CB-CB 4.44Å; E539-E557 HydrophobicContact CG-CB 4Å; E539-E557 PolarHBondContact OE1-N 3Å
540	C	91.4	Very high	89.2	Confident	20 Å²	20	45.1 Å²	45.1	14%	0.135	24%	0.236	C	C	.	.			trans	-103.3	128.6	-176.8	-56.7	0	0	0	0	112	Y537 S538 T545 I546 K549	Y537-C540 VanDerWaalsContact O-CB 3.28Å; Y537-C540 WeakPolarHBondContact O-CB 3.43Å; Y537-C540 PolarHBondContact O-N 3.5Å; S538-C540 PolarHBondContact O-N 2.68Å; C540-T545 HydrophobicContact CB-CG2 4.31Å; C540-I546 HydrophobicContact CB-CD1 3.79Å; C540-I546 HydrophobicContact CB-CG1 3.32Å; C540-K549 PolarHBondContact SG-NZ 3.31Å
541	M	87.3	Confident	88.7	Confident	195 Å²	195	48.5 Å²	48.5	96%	0.961	25%	0.253	S	S	*	.	S	Bend	trans	-79.3	-17.2	-176.8	-64	-174.6	71.4	0	0	115.1
542	N	82.9	Confident	88.4	Confident	58 Å²	58	51 Å²	51	31%	0.31	27%	0.272	S	S	.	.	S	Bend	trans	-148.9	153.1	-179.7	65.8	19.3	0	0	0	113.6	A544 T545 I546	N542-A544 PolarHBondContact O-N 3.07Å; N542-T545 PolarHBondContact O-N 2.86Å; N542-T545 VanDerWaalsContact O-N 3.09Å; N542-T545 VanDerWaalsContact OD1-CB 3.29Å; N542-T545 WeakPolarHBondContact OD1-CB 3.34Å; N542-T545 PolarHBondContact OD1-N 3.25Å; N542-T545 PolarHBondContact OD1-OG1 3.2Å; N542-I546 PolarHBondContact O-N 3.02Å
543	P	80	Confident	88.2	Confident	18 Å²	18	51.2 Å²	51.2	12%	0.117	28%	0.28	C	S	.	.	H	α-helix	trans	-53.4	-35.8	177.6	-32.4	38.4	0	0	0	115	P502 T545 I546 Y547 L1580 L1584	P502-P543 HydrophobicContact CB-CB 3.99Å; P502-P543 HydrophobicContact CG-CB 3.66Å; P502-P543 HydrophobicContact CG-CG 3.74Å; P543-T545 VanDerWaalsContact C-N 3.29Å; P543-T545 PolarHBondContact O-N 3.27Å; P543-I546 PolarHBondContact O-N 3.17Å; P543-I546 VanDerWaalsContact O-N 3.12Å; P543-Y547 PolarHBondContact O-N 2.94Å; P543-L1580 HydrophobicContact CB-CD1 4.43Å; P543-L1584 HydrophobicContact CG-CD1 3.96Å
544	A	80.7	Confident	88.3	Confident	9 Å²	9	52.7 Å²	52.7	7%	0.074	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-32.5	179.9	0	0	0	0	0	112.8	N542 R548	N542-A544 PolarHBondContact O-N 3.07Å; A544-R548 WeakPolarHBondContact O-CB 3.43Å; A544-R548 WeakPolarHBondContact O-CG 3.33Å; A544-R548 PolarHBondContact O-N 3.08Å; A544-R548 VanDerWaalsContact O-N 3.11Å; A544-R548 PolarHBondContact O-NE 3.08Å
545	T	89.1	Confident	88.5	Confident	45 Å²	45	52.7 Å²	52.7	28%	0.276	28%	0.28	S	S	.	.	H	α-helix	trans	-72.9	-35	173.7	-59.8	0	0	0	0	111.8	C540 N542 P543 R548 K549	C540-T545 HydrophobicContact CB-CG2 4.31Å; N542-T545 PolarHBondContact O-N 2.86Å; N542-T545 VanDerWaalsContact O-N 3.09Å; N542-T545 VanDerWaalsContact OD1-CB 3.29Å; N542-T545 WeakPolarHBondContact OD1-CB 3.34Å; N542-T545 PolarHBondContact OD1-N 3.25Å; N542-T545 PolarHBondContact OD1-OG1 3.2Å; P543-T545 VanDerWaalsContact C-N 3.29Å; P543-T545 PolarHBondContact O-N 3.27Å; T545-R548 PolarHBondContact O-N 3.43Å; T545-R548 PolarHBondContact OG1-NH2 2.65Å; T545-K549 PolarHBondContact O-N 2.93Å
546	I	88.1	Confident	88.7	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-68.3	-48.4	177.7	-58.1	179.2	0	0	0	109.7	E503 Y537 C540 N542 P543 R548 K549 V550	E503-I546 HydrophobicContact CG-CD1 3.46Å; E503-I546 VanDerWaalsContact CG-CD1 3.46Å; E503-I546 HydrophobicContact CG-CG2 4.5Å; Y537-I546 HydrophobicContact CD1-CG2 4.48Å; Y537-I546 HydrophobicContact CD2-CG2 3.63Å; Y537-I546 HydrophobicContact CE2-CG2 4.23Å; Y537-I546 HydrophobicContact CG-CG2 3.77Å; C540-I546 HydrophobicContact CB-CD1 3.79Å; C540-I546 HydrophobicContact CB-CG1 3.32Å; N542-I546 PolarHBondContact O-N 3.02Å; P543-I546 PolarHBondContact O-N 3.17Å; P543-I546 VanDerWaalsContact O-N 3.12Å; I546-R548 VanDerWaalsContact C-N 3.35Å; I546-R548 PolarHBondContact O-N 3.44Å; I546-K549 WeakPolarHBondContact O-CB 3.42Å; I546-K549 PolarHBondContact O-N 3.26Å; I546-V550 HydrophobicContact CG2-CG2 4.28Å; I546-V550 WeakPolarHBondContact O-CG2 3.23Å; I546-V550 PolarHBondContact O-N 3.3Å
547	Y	82.4	Confident	88.8	Confident	57 Å²	57	54.5 Å²	54.5	22%	0.224	29%	0.291	C	S	.	.	H	α-helix	trans	-52.5	-49.9	171.5	178.8	-106.2	0	0	0	112	Y510 P543 K549 V550 I551 F1573	Y510-Y547 HydrophobicContact CD1-CD2 4.3Å; Y510-Y547 HydrophobicContact CD1-CE2 4.18Å; Y510-Y547 AromaticContact CD2-CD2 3.79Å; Y510-Y547 HydrophobicContact CD2-CD2 3.79Å; Y510-Y547 AromaticContact CD2-CE2 3.61Å; Y510-Y547 HydrophobicContact CD2-CE2 3.61Å; Y510-Y547 HydrophobicContact CE1-CD2 4.19Å; Y510-Y547 AromaticContact CE2-CD2 3.66Å; Y510-Y547 HydrophobicContact CE2-CD2 3.66Å; Y510-Y547 HydrophobicContact CE2-CE2 4.01Å; Y510-Y547 HydrophobicContact CG-CD2 4.11Å; Y510-Y547 AromaticContact CG-CE2 3.7Å; Y510-Y547 HydrophobicContact CG-CE2 3.7Å; Y510-Y547 AromaticContact CZ-CD2 3.87Å; P543-Y547 PolarHBondContact O-N 2.94Å; Y547-K549 VanDerWaalsContact C-N 3.32Å; Y547-K549 PolarHBondContact O-N 3.34Å; Y547-V550 PolarHBondContact O-N 3.48Å; Y547-I551 HydrophobicContact CD1-CD1 4.24Å; Y547-I551 HydrophobicContact CD2-CG2 4.14Å; Y547-I551 HydrophobicContact CE1-CD1 3.82Å; Y547-I551 HydrophobicContact CE1-CG2 4.3Å; Y547-I551 HydrophobicContact CE2-CG2 3.7Å; Y547-I551 WeakPolarHBondContact O-CG1 3.49Å; Y547-I551 PolarHBondContact O-N 3.29Å; Y547-F1573 HydrophobicContact CD1-CZ 4.37Å; Y547-F1573 HydrophobicContact CE1-CZ 4.23Å
548	R	86.9	Confident	88.8	Confident	119 Å²	119	54.2 Å²	54.2	45%	0.449	29%	0.29	S	S	.	.	H	α-helix	trans	-57.5	-40.2	175.6	-78	-176.1	-65	-115.2	1.6	113.2	A544 T545 I546 I551 S552	A544-R548 WeakPolarHBondContact O-CB 3.43Å; A544-R548 WeakPolarHBondContact O-CG 3.33Å; A544-R548 PolarHBondContact O-N 3.08Å; A544-R548 VanDerWaalsContact O-N 3.11Å; A544-R548 PolarHBondContact O-NE 3.08Å; T545-R548 PolarHBondContact O-N 3.43Å; T545-R548 PolarHBondContact OG1-NH2 2.65Å; I546-R548 VanDerWaalsContact C-N 3.35Å; I546-R548 PolarHBondContact O-N 3.44Å; R548-I551 WeakPolarHBondContact O-CG1 3.44Å; R548-S552 WeakPolarHBondContact O-CB 3.17Å; R548-S552 PolarHBondContact O-N 2.83Å; R548-S552 PolarHBondContact O-OG 3.25Å
549	K	91	Very high	88.9	Confident	48 Å²	48	51.5 Å²	51.5	21%	0.209	27%	0.269	C	S	.	.	H	α-helix	trans	-66.8	-46.5	175.5	-80.8	-171.4	174	177.5	0	112.3	Y537 E539 C540 T545 I546 Y547 S552 G553 V554	Y537-K549 HydrophobicContact CD1-CD 3.92Å; Y537-K549 HydrophobicContact CE1-CB 3.93Å; Y537-K549 HydrophobicContact CE1-CD 3.85Å; E539-K549 VanDerWaalsContact CG-NZ 3.27Å; E539-K549 IonicContact OE1-NZ 2.9Å; E539-K549 PolarHBondContact OE1-NZ 3.07Å; C540-K549 PolarHBondContact SG-NZ 3.31Å; T545-K549 PolarHBondContact O-N 2.93Å; I546-K549 WeakPolarHBondContact O-CB 3.42Å; I546-K549 PolarHBondContact O-N 3.26Å; Y547-K549 VanDerWaalsContact C-N 3.32Å; Y547-K549 PolarHBondContact O-N 3.34Å; K549-S552 CarbonylContact O-C 3.56Å; K549-S552 PolarHBondContact O-N 3.12Å; K549-S552 PolarHBondContact O-OG 2.88Å; K549-S552 VanDerWaalsContact O-OG 3.14Å; K549-G553 PolarHBondContact O-N 3.49Å; K549-V554 HydrophobicContact CB-CB 3.95Å; K549-V554 HydrophobicContact CB-CG1 4.32Å; K549-V554 HydrophobicContact CD-CB 4.46Å; K549-V554 HydrophobicContact CD-CG1 3.91Å; K549-V554 HydrophobicContact CG-CB 3.96Å; K549-V554 HydrophobicContact CG-CG1 3.89Å; K549-V554 PolarHBondContact O-N 2.9Å
550	V	88.4	Confident	89	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-47.6	-177.3	172.5	0	0	0	0	111.2	P507 Y521 Y537 I546 Y547 S552 G553	P507-V550 HydrophobicContact CB-CG1 4.03Å; P507-V550 HydrophobicContact CG-CG1 4.15Å; Y521-V550 WeakPolarHBondContact OH-CG1 3.5Å; Y521-V550 WeakPolarHBondContact OH-CG2 3.46Å; Y537-V550 HydrophobicContact CD2-CG2 4.42Å; Y537-V550 HydrophobicContact CE2-CG2 3.52Å; I546-V550 HydrophobicContact CG2-CG2 4.28Å; I546-V550 WeakPolarHBondContact O-CG2 3.23Å; I546-V550 PolarHBondContact O-N 3.3Å; Y547-V550 PolarHBondContact O-N 3.48Å; V550-S552 VanDerWaalsContact C-N 3.27Å; V550-S552 PolarHBondContact O-N 2.94Å; V550-G553 PolarHBondContact O-N 3.02Å
551	I	85.6	Confident	89.1	Confident	76 Å²	76	57.4 Å²	57.4	39%	0.39	30%	0.3	S	S	.	.	H	α-helix	trans	-67.5	-26.2	178.1	69.5	-177.4	0	0	0	113.3	P507 Y547 R548	P507-I551 HydrophobicContact CB-CG2 4.09Å; Y547-I551 HydrophobicContact CD1-CD1 4.24Å; Y547-I551 HydrophobicContact CD2-CG2 4.14Å; Y547-I551 HydrophobicContact CE1-CD1 3.82Å; Y547-I551 HydrophobicContact CE1-CG2 4.3Å; Y547-I551 HydrophobicContact CE2-CG2 3.7Å; Y547-I551 WeakPolarHBondContact O-CG1 3.49Å; Y547-I551 PolarHBondContact O-N 3.29Å; R548-I551 WeakPolarHBondContact O-CG1 3.44Å
552	S	87.1	Confident	89.3	Confident	80 Å²	80	48.9 Å²	48.9	56%	0.559	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	6.1	175.9	60.6	0	0	0	0	113.9	R548 K549 V550 V554	R548-S552 WeakPolarHBondContact O-CB 3.17Å; R548-S552 PolarHBondContact O-N 2.83Å; R548-S552 PolarHBondContact O-OG 3.25Å; K549-S552 CarbonylContact O-C 3.56Å; K549-S552 PolarHBondContact O-N 3.12Å; K549-S552 PolarHBondContact O-OG 2.88Å; K549-S552 VanDerWaalsContact O-OG 3.14Å; V550-S552 VanDerWaalsContact C-N 3.27Å; V550-S552 PolarHBondContact O-N 2.94Å; S552-V554 PolarHBondContact O-N 3.45Å
553	G	87.9	Confident	89.7	Confident	33 Å²	33	48 Å²	48	34%	0.34	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	11.7	178.7	0	0	0	0	0	115.5	K549 V550 K555	K549-G553 PolarHBondContact O-N 3.49Å; V550-G553 PolarHBondContact O-N 3.02Å; G553-K555 PolarHBondContact O-N 2.93Å; G553-K555 VanDerWaalsContact O-N 3.08Å
554	V	93.3	Very high	90	Very high	68 Å²	68	51.8 Å²	51.8	41%	0.412	29%	0.288	S	S	.	.			trans	-73.1	102.3	174.2	178.7	0	0	0	0	108.6	Y537 K549 S552	Y537-V554 VanDerWaalsContact CE1-O 3.29Å; Y537-V554 WeakPolarHBondContact CE1-O 3.43Å; Y537-V554 PolarHBondContact OH-O 3.44Å; K549-V554 HydrophobicContact CB-CB 3.95Å; K549-V554 HydrophobicContact CB-CG1 4.32Å; K549-V554 HydrophobicContact CD-CB 4.46Å; K549-V554 HydrophobicContact CD-CG1 3.91Å; K549-V554 HydrophobicContact CG-CB 3.96Å; K549-V554 HydrophobicContact CG-CG1 3.89Å; K549-V554 PolarHBondContact O-N 2.9Å; S552-V554 PolarHBondContact O-N 3.45Å
555	K	95	Very high	90.3	Very high	73 Å²	73	57.3 Å²	57.3	32%	0.317	31%	0.312	S	S	.	.			trans	-63.7	155.5	178.6	-68.6	167.5	179.9	169.7	0	111.2	G553 F559 D574 I577	G553-K555 PolarHBondContact O-N 2.93Å; G553-K555 VanDerWaalsContact O-N 3.08Å; K555-F559 HydrophobicContact CB-CB 4.36Å; K555-F559 HydrophobicContact CB-CD1 4.27Å; K555-F559 HydrophobicContact CB-CG 4.33Å; K555-F559 HydrophobicContact CD-CD1 4.13Å; K555-F559 HydrophobicContact CD-CE1 3.97Å; K555-F559 HydrophobicContact CD-CZ 4.32Å; K555-D574 IonicContact NZ-OD1 2.68Å; K555-D574 PolarHBondContact NZ-OD1 3.26Å; K555-D574 IonicContact NZ-OD2 3.23Å; K555-D574 PolarHBondContact NZ-OD2 2.78Å; K555-I577 HydrophobicContact CB-CD1 4.43Å; K555-I577 HydrophobicContact CD-CD1 4.39Å; K555-I577 HydrophobicContact CG-CD1 4.02Å
556	P	94.5	Very high	90.1	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.019	31%	0.313	C	S	.	.			trans	-55.9	147.8	178.6	-24.9	33.4	0	0	0	112.6	M525 L528 P536 Y537 C558 F559	M525-P556 HydrophobicContact CE-CG 3.95Å; M525-P556 HydrophobicContact SD-CG 4.03Å; L528-P556 HydrophobicContact CD2-CB 4.01Å; L528-P556 HydrophobicContact CD2-CG 3.78Å; P536-P556 HydrophobicContact CB-CG 4.29Å; Y537-P556 HydrophobicContact CD1-CB 4.15Å; Y537-P556 HydrophobicContact CD1-CG 4.16Å; Y537-P556 HydrophobicContact CD2-CG 3.95Å; Y537-P556 HydrophobicContact CE1-CB 4.2Å; Y537-P556 HydrophobicContact CE1-CG 3.9Å; Y537-P556 HydrophobicContact CE2-CG 3.68Å; Y537-P556 HydrophobicContact CG-CB 4.34Å; Y537-P556 HydrophobicContact CG-CG 4.19Å; P556-C558 PolarHBondContact O-N 2.73Å; P556-F559 WeakPolarHBondContact O-CB 3.41Å; P556-F559 PolarHBondContact O-N 2.84Å
557	E	94.5	Very high	90	Very high	91 Å²	91	61.9 Å²	61.9	43%	0.425	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-60.2	-36.6	178.8	-159	-161.2	127.6	0	0	111.9	E539 F559 S560 R561	E539-E557 HydrophobicContact CB-CB 4.44Å; E539-E557 HydrophobicContact CG-CB 4Å; E539-E557 PolarHBondContact OE1-N 3Å; E557-F559 PolarHBondContact O-N 3.07Å; E557-F559 VanDerWaalsContact O-N 3.16Å; E557-S560 WeakPolarHBondContact O-CB 3.26Å; E557-S560 PolarHBondContact O-N 3.33Å; E557-S560 VanDerWaalsContact O-N 3.08Å; E557-S560 PolarHBondContact O-OG 3.09Å; E557-R561 VanDerWaalsContact CD-NH2 3.35Å; E557-R561 IonicContact OE1-CZ 3.74Å; E557-R561 IonicContact OE1-NE 2.76Å; E557-R561 IonicContact OE1-NH2 2.63Å; E557-R561 PolarHBondContact OE1-NH2 2.97Å; E557-R561 IonicContact OE2-NH2 3.77Å
558	C	94.1	Very high	90.2	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.014	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-64.9	-14.6	176.6	63.4	0	0	0	0	114.3	T532 E534 P556 S560 R561	T532-C558 HydrophobicContact CG2-CB 4.12Å; T532-C558 WeakPolarHBondContact CG2-O 3.45Å; E534-C558 HydrophobicContact CB-CB 4.33Å; P556-C558 PolarHBondContact O-N 2.73Å; C558-S560 PolarHBondContact O-N 3.01Å; C558-R561 WeakPolarHBondContact O-CA 3.44Å; C558-R561 WeakPolarHBondContact O-CB 3.33Å; C558-R561 PolarHBondContact O-N 3.41Å
559	F	95.3	Very high	90.5	Very high	17 Å²	17	55.9 Å²	55.9	8%	0.075	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-62.1	-31.4	170.3	-176.9	-99	0	0	0	112.2	L528 K555 P556 E557 R561 I562 R570 I573 D574 I577	L528-F559 HydrophobicContact CD1-CB 4.49Å; K555-F559 HydrophobicContact CB-CB 4.36Å; K555-F559 HydrophobicContact CB-CD1 4.27Å; K555-F559 HydrophobicContact CB-CG 4.33Å; K555-F559 HydrophobicContact CD-CD1 4.13Å; K555-F559 HydrophobicContact CD-CE1 3.97Å; K555-F559 HydrophobicContact CD-CZ 4.32Å; P556-F559 WeakPolarHBondContact O-CB 3.41Å; P556-F559 PolarHBondContact O-N 2.84Å; E557-F559 PolarHBondContact O-N 3.07Å; E557-F559 VanDerWaalsContact O-N 3.16Å; F559-R561 PolarHBondContact O-N 2.86Å; F559-I562 HydrophobicContact CD2-CD1 3.56Å; F559-I562 HydrophobicContact CE2-CD1 3.8Å; F559-I562 HydrophobicContact CG-CD1 4.18Å; F559-I562 WeakPolarHBondContact O-CD1 3.32Å; F559-I562 WeakPolarHBondContact O-CG1 3.4Å; F559-R570 HydrophobicContact CE1-CG 4.46Å; F559-R570 HydrophobicContact CE2-CG 4.27Å; F559-R570 HydrophobicContact CZ-CG 3.87Å; F559-I573 HydrophobicContact CD2-CG2 3.84Å; F559-I573 HydrophobicContact CE2-CB 4.17Å; F559-I573 HydrophobicContact CE2-CG2 3.77Å; F559-D574 HydrophobicContact CE2-CB 4.37Å; F559-D574 HydrophobicContact CZ-CB 4.03Å; F559-D574 WeakPolarHBondContact CZ-OD1 3.4Å; F559-I577 HydrophobicContact CD2-CD1 4.03Å; F559-I577 HydrophobicContact CE2-CD1 4.3Å
560	S	93.6	Very high	90.6	Very high	93 Å²	93	60.2 Å²	60.2	65%	0.65	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-71.1	-18.2	172.4	71.5	0	0	0	0	113.6	E557 C558	E557-S560 WeakPolarHBondContact O-CB 3.26Å; E557-S560 PolarHBondContact O-N 3.33Å; E557-S560 VanDerWaalsContact O-N 3.08Å; E557-S560 PolarHBondContact O-OG 3.09Å; C558-S560 PolarHBondContact O-N 3.01Å
561	R	92.6	Very high	90.8	Very high	110 Å²	110	62.2 Å²	62.2	42%	0.415	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-95.7	3	-175.2	-51.5	177.1	-170.4	179.8	-0	112.8	E534 E557 C558 F559	E534-R561 IonicContact OE1-NH1 3.18Å; E534-R561 PolarHBondContact OE1-NH1 2.92Å; E534-R561 WeakPolarHBondContact OE2-CD 3.38Å; E534-R561 IonicContact OE2-CZ 2.69Å; E534-R561 IonicContact OE2-NE 2.74Å; E534-R561 IonicContact OE2-NH1 3.93Å; E534-R561 PolarHBondContact OE2-NH1 3.48Å; E557-R561 VanDerWaalsContact CD-NH2 3.35Å; E557-R561 IonicContact OE1-CZ 3.74Å; E557-R561 IonicContact OE1-NE 2.76Å; E557-R561 IonicContact OE1-NH2 2.63Å; E557-R561 PolarHBondContact OE1-NH2 2.97Å; E557-R561 IonicContact OE2-NH2 3.77Å; C558-R561 WeakPolarHBondContact O-CA 3.44Å; C558-R561 WeakPolarHBondContact O-CB 3.33Å; C558-R561 PolarHBondContact O-N 3.41Å; F559-R561 PolarHBondContact O-N 2.86Å
562	I	92.9	Very high	91.3	Very high	15 Å²	15	58.7 Å²	58.7	8%	0.077	32%	0.319	C	S	.	.	S	Bend	trans	-59.1	127.4	173	-64.3	166.1	0	0	0	108.6	L528 V531 F559 A564 R570 I573	L528-I562 HydrophobicContact CD1-CD1 3.96Å; L528-I562 HydrophobicContact CD1-CG1 3.91Å; V531-I562 HydrophobicContact CG1-CG2 4.19Å; F559-I562 HydrophobicContact CD2-CD1 3.56Å; F559-I562 HydrophobicContact CE2-CD1 3.8Å; F559-I562 HydrophobicContact CG-CD1 4.18Å; F559-I562 WeakPolarHBondContact O-CD1 3.32Å; F559-I562 WeakPolarHBondContact O-CG1 3.4Å; I562-A564 PolarHBondContact O-N 3.04Å; I562-R570 HydrophobicContact CD1-CB 4.21Å; I562-R570 HydrophobicContact CD1-CG 4.06Å; I562-R570 HydrophobicContact CG2-CB 4.06Å; I562-I573 HydrophobicContact CD1-CD1 3.68Å; I562-I573 HydrophobicContact CG1-CD1 4.34Å
563	P	89.9	Confident	91.7	Very high	41 Å²	41	54.9 Å²	54.9	27%	0.266	29%	0.292	S	S	.	.			trans	-62.1	126.8	-174.6	-23.2	33.2	0	0	0	112.8	Q565 Y566	P563-Q565 VanDerWaalsContact CB-CD 3.5Å; P563-Q565 PolarHBondContact O-N 2.97Å; P563-Y566 HydrophobicContact CB-CD2 4.18Å; P563-Y566 PolarHBondContact O-N 3.22Å
564	A	88	Confident	92	Very high	96 Å²	96	55.1 Å²	55.1	79%	0.793	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.7	-173.3	0	0	0	0	0	114.7	I562 Y566	I562-A564 PolarHBondContact O-N 3.04Å; A564-Y566 PolarHBondContact O-N 2.87Å
565	Q	85.9	Confident	92	Very high	125 Å²	125	52.4 Å²	52.4	58%	0.584	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-1.6	173.2	75.8	-83.7	9.4	0	0	114.7	P563 P567	P563-Q565 VanDerWaalsContact CB-CD 3.5Å; P563-Q565 PolarHBondContact O-N 2.97Å; Q565-P567 VanDerWaalsContact C-CD 3.48Å
566	Y	86	Confident	92.1	Very high	74 Å²	74	49 Å²	49	29%	0.29	25%	0.253	S	S	.	.			trans	-128.3	60.9	177.1	-54.2	-54.1	0	0	0	112.1	I436 P563 A564 E568 I569 R570	I436-Y566 HydrophobicContact CG1-CE1 4.23Å; P563-Y566 HydrophobicContact CB-CD2 4.18Å; P563-Y566 PolarHBondContact O-N 3.22Å; A564-Y566 PolarHBondContact O-N 2.87Å; Y566-E568 VanDerWaalsContact CA-OE2 3.26Å; Y566-E568 WeakPolarHBondContact CA-OE2 3.49Å; Y566-E568 PolarHBondContact O-N 3.11Å; Y566-I569 HydrophobicContact CD2-CD1 4.14Å; Y566-I569 HydrophobicContact CG-CD1 3.84Å; Y566-I569 WeakPolarHBondContact O-CB 3.49Å; Y566-I569 PolarHBondContact O-N 3.13Å; Y566-I569 VanDerWaalsContact O-N 3.16Å; Y566-R570 PolarHBondContact O-N 3.29Å
567	P	85.6	Confident	92.1	Very high	71 Å²	71	49.2 Å²	49.2	46%	0.461	25%	0.254	S	S	.	.	H	α-helix	trans	-60.2	-30.9	-178.4	27.3	-35.3	0	0	0	112.6	Q565 I569 R570 E571	Q565-P567 VanDerWaalsContact C-CD 3.48Å; P567-I569 VanDerWaalsContact C-N 3.3Å; P567-I569 PolarHBondContact O-N 2.88Å; P567-R570 WeakPolarHBondContact O-CB 3.49Å; P567-R570 PolarHBondContact O-N 3.2Å; P567-R570 VanDerWaalsContact O-N 3.14Å; P567-E571 PolarHBondContact O-N 3.46Å
568	E	87.1	Confident	92	Very high	50 Å²	50	46.7 Å²	46.7	23%	0.234	24%	0.241	C	C	.	.	H	α-helix	trans	-66.6	-31.5	179.2	79.8	-77.5	-158.1	0	0	112.4	Y566 E571 I572 F595	Y566-E568 VanDerWaalsContact CA-OE2 3.26Å; Y566-E568 WeakPolarHBondContact CA-OE2 3.49Å; Y566-E568 PolarHBondContact O-N 3.11Å; E568-E571 PolarHBondContact O-N 3.21Å; E568-I572 WeakPolarHBondContact O-CB 3.43Å; E568-I572 WeakPolarHBondContact O-CD1 3.45Å; E568-I572 WeakPolarHBondContact O-CG1 3.24Å; E568-I572 PolarHBondContact O-N 3.12Å; E568-F595 HydrophobicContact CG-CB 4.32Å; E568-F595 HydrophobicContact CG-CD2 3.36Å; E568-F595 HydrophobicContact CG-CE2 3.93Å; E568-F595 HydrophobicContact CG-CG 4.1Å; E568-F595 WeakPolarHBondContact OE1-CD2 3.13Å; E568-F595 WeakPolarHBondContact OE1-CE2 3.38Å
569	I	93.4	Very high	91.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-67.4	-42.2	173.4	-62	-179.3	0	0	0	110.3	I436 L439 L527 V531 Y566 P567 E571 I572 I573 F595	I436-I569 HydrophobicContact CD1-CD1 3.67Å; L439-I569 HydrophobicContact CD2-CD1 3.98Å; L527-I569 HydrophobicContact CD1-CG2 4.3Å; L527-I569 HydrophobicContact CG-CG2 4.41Å; V531-I569 HydrophobicContact CG1-CG2 4.27Å; V531-I569 HydrophobicContact CG2-CD1 4.39Å; V531-I569 HydrophobicContact CG2-CG2 3.63Å; Y566-I569 HydrophobicContact CD2-CD1 4.14Å; Y566-I569 HydrophobicContact CG-CD1 3.84Å; Y566-I569 WeakPolarHBondContact O-CB 3.49Å; Y566-I569 PolarHBondContact O-N 3.13Å; Y566-I569 VanDerWaalsContact O-N 3.16Å; P567-I569 VanDerWaalsContact C-N 3.3Å; P567-I569 PolarHBondContact O-N 2.88Å; I569-E571 VanDerWaalsContact C-N 3.34Å; I569-I572 PolarHBondContact O-N 2.92Å; I569-I573 HydrophobicContact CG2-CD1 3.81Å; I569-I573 HydrophobicContact CG2-CG1 4.4Å; I569-I573 WeakPolarHBondContact O-CG1 3.49Å; I569-I573 PolarHBondContact O-N 3.16Å; I569-F595 HydrophobicContact CD1-CE2 3.98Å; I569-F595 HydrophobicContact CD1-CZ 3.7Å; I569-F595 HydrophobicContact CG1-CD2 4.42Å; I569-F595 HydrophobicContact CG1-CE1 4.2Å; I569-F595 HydrophobicContact CG1-CE2 3.54Å; I569-F595 HydrophobicContact CG1-CZ 3.42Å; I569-F595 VanDerWaalsContact CG1-CZ 3.42Å
570	R	92.9	Very high	91.2	Very high	139 Å²	139	52.2 Å²	52.2	53%	0.525	27%	0.267	S	S	.	.	H	α-helix	trans	-61.7	-44.7	177.5	-174.5	178.3	176.3	-159.5	-2.9	110.7	F559 I562 Y566 P567 I573 D574	F559-R570 HydrophobicContact CE1-CG 4.46Å; F559-R570 HydrophobicContact CE2-CG 4.27Å; F559-R570 HydrophobicContact CZ-CG 3.87Å; I562-R570 HydrophobicContact CD1-CB 4.21Å; I562-R570 HydrophobicContact CD1-CG 4.06Å; I562-R570 HydrophobicContact CG2-CB 4.06Å; Y566-R570 PolarHBondContact O-N 3.29Å; P567-R570 WeakPolarHBondContact O-CB 3.49Å; P567-R570 PolarHBondContact O-N 3.2Å; P567-R570 VanDerWaalsContact O-N 3.14Å; R570-I573 PolarHBondContact O-N 2.97Å; R570-D574 WeakPolarHBondContact O-CB 3.42Å; R570-D574 PolarHBondContact O-N 3.31Å
571	E	92	Very high	90.9	Very high	49 Å²	49	52.1 Å²	52.1	23%	0.229	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-42.2	176.2	-161.4	-155.2	111.4	0	0	112.5	P567 E568 I569 D574 R575 R611	P567-E571 PolarHBondContact O-N 3.46Å; E568-E571 PolarHBondContact O-N 3.21Å; I569-E571 VanDerWaalsContact C-N 3.34Å; E571-D574 PolarHBondContact O-N 3.03Å; E571-R575 WeakPolarHBondContact O-CG 3.42Å; E571-R575 PolarHBondContact O-N 3.05Å; E571-R575 PolarHBondContact O-NE 2.85Å; E571-R575 IonicContact OE1-CZ 2.74Å; E571-R575 IonicContact OE1-NE 3.39Å; E571-R575 PolarHBondContact OE1-NE 3.27Å; E571-R575 IonicContact OE1-NH1 2.7Å; E571-R575 PolarHBondContact OE1-NH1 3.15Å; E571-R575 VanDerWaalsContact OE1-NH1 3.14Å; E571-R575 IonicContact OE1-NH2 2.78Å; E571-R575 PolarHBondContact OE1-NH2 3.07Å; E571-R611 IonicContact OE1-CZ 3.69Å; E571-R611 IonicContact OE1-NH2 2.93Å; E571-R611 PolarHBondContact OE1-NH2 3.15Å; E571-R611 IonicContact OE2-CZ 3.17Å; E571-R611 VanDerWaalsContact OE2-CZ 3.24Å; E571-R611 IonicContact OE2-NE 2.98Å; E571-R611 PolarHBondContact OE2-NE 3.34Å; E571-R611 IonicContact OE2-NH2 2.57Å; E571-R611 PolarHBondContact OE2-NH2 3.31Å
572	I	94.9	Very high	90.6	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-46.7	176	-71.6	163.3	0	0	0	111.3	L527 E568 I569 D574 R575 C576 L590 F595 F596	L527-I572 HydrophobicContact CD2-CB 4.44Å; L527-I572 HydrophobicContact CD2-CG2 3.63Å; E568-I572 WeakPolarHBondContact O-CB 3.43Å; E568-I572 WeakPolarHBondContact O-CD1 3.45Å; E568-I572 WeakPolarHBondContact O-CG1 3.24Å; E568-I572 PolarHBondContact O-N 3.12Å; I569-I572 PolarHBondContact O-N 2.92Å; I572-D574 VanDerWaalsContact C-N 3.34Å; I572-R575 PolarHBondContact O-N 3.12Å; I572-C576 PolarHBondContact O-N 3.42Å; I572-C576 VanDerWaalsContact O-N 3.14Å; I572-C576 PolarHBondContact O-SG 2.91Å; I572-L590 HydrophobicContact CG2-CD2 4.27Å; I572-F595 HydrophobicContact CD1-CB 3.5Å; I572-F595 HydrophobicContact CD1-CD1 3.61Å; I572-F595 HydrophobicContact CD1-CE1 4.5Å; I572-F595 HydrophobicContact CD1-CG 3.69Å; I572-F596 HydrophobicContact CD1-CD2 4.5Å; I572-F596 HydrophobicContact CD1-CE2 3.95Å; I572-F596 HydrophobicContact CD1-CZ 4.34Å; I572-F596 HydrophobicContact CG2-CE2 3.77Å; I572-F596 HydrophobicContact CG2-CZ 4.08Å
573	I	96.5	Very high	90.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-46.9	176.4	-66.5	165	0	0	0	109.6	L527 L528 F559 I562 I569 R570 R575 C576 I577	L527-I573 HydrophobicContact CB-CG1 4.18Å; L527-I573 HydrophobicContact CD2-CD1 4.44Å; L527-I573 HydrophobicContact CD2-CG1 3.66Å; L527-I573 HydrophobicContact CG-CD1 3.99Å; L527-I573 HydrophobicContact CG-CG1 3.64Å; L528-I573 HydrophobicContact CB-CD1 4.15Å; L528-I573 HydrophobicContact CB-CG2 4.29Å; L528-I573 HydrophobicContact CD1-CD1 4.23Å; F559-I573 HydrophobicContact CD2-CG2 3.84Å; F559-I573 HydrophobicContact CE2-CB 4.17Å; F559-I573 HydrophobicContact CE2-CG2 3.77Å; I562-I573 HydrophobicContact CD1-CD1 3.68Å; I562-I573 HydrophobicContact CG1-CD1 4.34Å; I569-I573 HydrophobicContact CG2-CD1 3.81Å; I569-I573 HydrophobicContact CG2-CG1 4.4Å; I569-I573 WeakPolarHBondContact O-CG1 3.49Å; I569-I573 PolarHBondContact O-N 3.16Å; R570-I573 PolarHBondContact O-N 2.97Å; I573-R575 PolarHBondContact O-N 3.25Å; I573-C576 WeakPolarHBondContact O-CA 3.42Å; I573-C576 WeakPolarHBondContact O-CB 3.34Å; I573-C576 PolarHBondContact O-N 3.29Å; I573-I577 HydrophobicContact CG2-CD1 3.96Å; I573-I577 HydrophobicContact CG2-CG1 4.31Å; I573-I577 HydrophobicContact CG2-CG2 4.21Å; I573-I577 WeakPolarHBondContact O-CG1 3.39Å; I573-I577 PolarHBondContact O-N 3.44Å
574	D	94.2	Very high	90.6	Very high	38 Å²	38	52.4 Å²	52.4	20%	0.203	25%	0.254	C	S	.	.	H	α-helix	trans	-55.8	-50.7	-179.1	-154.8	101.4	0	0	0	111.7	K555 F559 R570 E571 I572 C576 I577 R578	K555-D574 IonicContact NZ-OD1 2.68Å; K555-D574 PolarHBondContact NZ-OD1 3.26Å; K555-D574 IonicContact NZ-OD2 3.23Å; K555-D574 PolarHBondContact NZ-OD2 2.78Å; F559-D574 HydrophobicContact CE2-CB 4.37Å; F559-D574 HydrophobicContact CZ-CB 4.03Å; F559-D574 WeakPolarHBondContact CZ-OD1 3.4Å; R570-D574 WeakPolarHBondContact O-CB 3.42Å; R570-D574 PolarHBondContact O-N 3.31Å; E571-D574 PolarHBondContact O-N 3.03Å; I572-D574 VanDerWaalsContact C-N 3.34Å; D574-C576 PolarHBondContact O-N 3.36Å; D574-I577 PolarHBondContact O-N 3.17Å; D574-R578 VanDerWaalsContact O-CG 3.23Å; D574-R578 WeakPolarHBondContact O-CG 3.37Å; D574-R578 PolarHBondContact O-N 3.23Å
575	R	94	Very high	90.8	Very high	12 Å²	12	48.4 Å²	48.4	5%	0.045	22%	0.22	C	C	.	.	H	α-helix	trans	-66.4	-14.4	176.3	-65.4	-177	-59.8	175.1	6.7	114.1	E571 I572 I573 R584 S585 D593 D691	E571-R575 WeakPolarHBondContact O-CG 3.42Å; E571-R575 PolarHBondContact O-N 3.05Å; E571-R575 PolarHBondContact O-NE 2.85Å; E571-R575 IonicContact OE1-CZ 2.74Å; E571-R575 IonicContact OE1-NE 3.39Å; E571-R575 PolarHBondContact OE1-NE 3.27Å; E571-R575 IonicContact OE1-NH1 2.7Å; E571-R575 PolarHBondContact OE1-NH1 3.15Å; E571-R575 VanDerWaalsContact OE1-NH1 3.14Å; E571-R575 IonicContact OE1-NH2 2.78Å; E571-R575 PolarHBondContact OE1-NH2 3.07Å; I572-R575 PolarHBondContact O-N 3.12Å; I573-R575 PolarHBondContact O-N 3.25Å; R575-R584 VanDerWaalsContact O-CA 3.28Å; R575-R584 WeakPolarHBondContact O-CA 3.43Å; R575-S585 PolarHBondContact O-N 3.45Å; R575-D593 IonicContact CZ-OD2 2.65Å; R575-D593 IonicContact NH2-OD2 2.91Å; R575-D593 PolarHBondContact NH2-OD2 2.93Å; R575-D691 IonicContact NH1-OD1 2.69Å; R575-D691 PolarHBondContact NH1-OD1 3.33Å
576	C	96.4	Very high	91.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-89.7	-38.6	171.7	-65.1	0	0	0	0	112.4	V520 Y521 I572 I573 D574 R584	V520-C576 HydrophobicContact CG1-CB 4.19Å; Y521-C576 WeakPolarHBondContact CA-O 3.49Å; I572-C576 PolarHBondContact O-N 3.42Å; I572-C576 VanDerWaalsContact O-N 3.14Å; I572-C576 PolarHBondContact O-SG 2.91Å; I573-C576 WeakPolarHBondContact O-CA 3.42Å; I573-C576 WeakPolarHBondContact O-CB 3.34Å; I573-C576 PolarHBondContact O-N 3.29Å; D574-C576 PolarHBondContact O-N 3.36Å; C576-R584 WeakPolarHBondContact O-CD 3.42Å
577	I	94.8	Very high	91.6	Very high	9 Å²	9	42.7 Å²	42.7	5%	0.046	20%	0.201	C	C	.	.	S	Bend	trans	-96	19.4	-171.1	73.3	173.3	0	0	0	114.6	Y521 M525 K555 F559 I573 D574	Y521-I577 HydrophobicContact CD2-CB 4.22Å; Y521-I577 HydrophobicContact CE2-CB 4.08Å; M525-I577 HydrophobicContact CE-CB 4.1Å; M525-I577 HydrophobicContact CE-CD1 4.3Å; M525-I577 HydrophobicContact CE-CG2 3.88Å; M525-I577 HydrophobicContact CG-CG2 4.26Å; M525-I577 HydrophobicContact SD-CG2 4.05Å; K555-I577 HydrophobicContact CB-CD1 4.43Å; K555-I577 HydrophobicContact CD-CD1 4.39Å; K555-I577 HydrophobicContact CG-CD1 4.02Å; F559-I577 HydrophobicContact CD2-CD1 4.03Å; F559-I577 HydrophobicContact CE2-CD1 4.3Å; I573-I577 HydrophobicContact CG2-CD1 3.96Å; I573-I577 HydrophobicContact CG2-CG1 4.31Å; I573-I577 HydrophobicContact CG2-CG2 4.21Å; I573-I577 WeakPolarHBondContact O-CG1 3.39Å; I573-I577 PolarHBondContact O-N 3.44Å; D574-I577 PolarHBondContact O-N 3.17Å
578	R	92.2	Very high	91.9	Very high	37 Å²	37	46.2 Å²	46.2	14%	0.14	21%	0.209	C	C	.	.			trans	-64.2	145.8	176.6	-61.8	-168.3	173.4	146.4	-17.2	111.9	D574 E583 R584 H694	D574-R578 VanDerWaalsContact O-CG 3.23Å; D574-R578 WeakPolarHBondContact O-CG 3.37Å; D574-R578 PolarHBondContact O-N 3.23Å; R578-E583 HydrophobicContact CB-CB 4.34Å; R578-E583 WeakPolarHBondContact CD-O 3.5Å; R578-E583 PolarHBondContact NH1-O 2.81Å; R578-R584 HydrophobicContact CB-CG 4.17Å; R578-R584 PolarHBondContact O-NE 3.27Å; R578-R584 PolarHBondContact O-NH2 2.9Å; R578-H694 PolarHBondContact NE-NE2 2.86Å; R578-H694 PolarHBondContact NH1-CD2 3.36Å; R578-H694 PolarHBondContact NH1-NE2 3.43Å; R578-H694 VanDerWaalsContact NH1-NE2 3.16Å; R578-H694 PolarHBondContact NH2-CE1 3.13Å; R578-H694 VanDerWaalsContact NH2-CE1 3.3Å; R578-H694 PolarHBondContact NH2-ND1 3.13Å
579	V	87.8	Confident	92.1	Very high	55 Å²	55	47.5 Å²	47.5	33%	0.333	22%	0.215	S	C	.	.	S	Bend	trans	-63.5	-57.7	-177.1	-173.5	0	0	0	0	110.8	P507 R581 R584	P507-V579 HydrophobicContact CG-CG1 4.14Å; P507-V579 WeakPolarHBondContact CG-O 3.39Å; V579-R581 PolarHBondContact O-N 3.26Å; V579-R584 PolarHBondContact O-NH2 2.87Å
580	R	84.9	Confident	92.1	Very high	81 Å²	81	47.5 Å²	47.5	31%	0.306	22%	0.216	S	C	.	.	S	Bend	trans	-68.2	129.2	174.2	-81.2	176.5	-74.7	135.6	10	109.8	E582 E583 R701	R580-E582 VanDerWaalsContact C-N 3.29Å; R580-E582 PolarHBondContact O-N 3.43Å; R580-E583 HydrophobicContact CB-CG 4.24Å; R580-E583 IonicContact CZ-OE1 2.9Å; R580-E583 IonicContact CZ-OE2 3.6Å; R580-E583 IonicContact NE-OE2 2.73Å; R580-E583 PolarHBondContact NE-OE2 3.49Å; R580-E583 IonicContact NH1-OE1 3.67Å; R580-E583 PolarHBondContact NH1-OE1 3.24Å; R580-E583 IonicContact NH1-OE2 2.67Å; R580-E583 IonicContact NH2-OE1 3.78Å; R580-E583 PolarHBondContact NH2-OE1 2.92Å; R580-E583 IonicContact NH2-OE2 3.57Å; R580-E583 PolarHBondContact NH2-OE2 3.39Å; R580-E583 PolarHBondContact O-N 2.92Å; R580-R701 VanDerWaalsContact NH2-CD 3.32Å
581	R	86.8	Confident	92.1	Very high	91 Å²	91	42.9 Å²	42.9	34%	0.343	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-65.7	-33.2	-179	58.1	175.8	179.9	-165.8	-7.7	112.5	M513 D515 S517 V579 E583 R584	M513-R581 PolarHBondContact O-NH1 3.18Å; D515-R581 IonicContact OD2-NH1 2.84Å; S517-R581 VanDerWaalsContact OG-CB 3.23Å; S517-R581 WeakPolarHBondContact OG-CB 3.34Å; V579-R581 PolarHBondContact O-N 3.26Å; R581-E583 PolarHBondContact O-N 2.82Å; R581-R584 WeakPolarHBondContact O-CB 3.49Å; R581-R584 PolarHBondContact O-N 3Å; R581-R584 VanDerWaalsContact O-N 3.12Å
582	E	87.5	Confident	91.8	Very high	131 Å²	131	45.4 Å²	45.4	61%	0.612	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-65.8	-22.7	-177.2	-59.6	74.9	-163.2	0	0	112.3	R580	R580-E582 VanDerWaalsContact C-N 3.29Å; R580-E582 PolarHBondContact O-N 3.43Å
583	E	88.1	Confident	91.3	Very high	29 Å²	29	46.7 Å²	46.7	14%	0.136	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-91.8	-5.5	179.1	-62.2	-174.3	141.3	0	0	113.3	R578 R580 R581 H694	R578-E583 HydrophobicContact CB-CB 4.34Å; R578-E583 WeakPolarHBondContact CD-O 3.5Å; R578-E583 PolarHBondContact NH1-O 2.81Å; R580-E583 HydrophobicContact CB-CG 4.24Å; R580-E583 IonicContact CZ-OE1 2.9Å; R580-E583 IonicContact CZ-OE2 3.6Å; R580-E583 IonicContact NE-OE2 2.73Å; R580-E583 PolarHBondContact NE-OE2 3.49Å; R580-E583 IonicContact NH1-OE1 3.67Å; R580-E583 PolarHBondContact NH1-OE1 3.24Å; R580-E583 IonicContact NH1-OE2 2.67Å; R580-E583 IonicContact NH2-OE1 3.78Å; R580-E583 PolarHBondContact NH2-OE1 2.92Å; R580-E583 IonicContact NH2-OE2 3.57Å; R580-E583 PolarHBondContact NH2-OE2 3.39Å; R580-E583 PolarHBondContact O-N 2.92Å; R581-E583 PolarHBondContact O-N 2.82Å; E583-H694 IonicContact OE1-NE2 2.82Å
584	R	93.4	Very high	90.6	Very high	12 Å²	12	48 Å²	48	5%	0.045	23%	0.234	C	C	.	.	S	Bend	trans	-80.4	138.9	-177.9	-59.5	-179.5	-163.2	145.3	15.9	111.1	E508 S517 V520 R575 C576 R578 V579 R581 T586	E508-R584 IonicContact OE1-CZ 3.5Å; E508-R584 IonicContact OE1-NH1 2.7Å; E508-R584 PolarHBondContact OE1-NH1 3.25Å; E508-R584 IonicContact OE1-NH2 2.84Å; E508-R584 PolarHBondContact OE1-NH2 3.46Å; E508-R584 IonicContact OE2-CZ 3.7Å; E508-R584 IonicContact OE2-NH1 3.36Å; E508-R584 PolarHBondContact OE2-NH1 2.71Å; E508-R584 IonicContact OE2-NH2 3.24Å; E508-R584 PolarHBondContact OE2-NH2 3.23Å; S517-R584 PolarHBondContact O-NH1 2.89Å; S517-R584 PolarHBondContact OG-NH1 3.14Å; V520-R584 HydrophobicContact CG1-CB 4.1Å; R575-R584 VanDerWaalsContact O-CA 3.28Å; R575-R584 WeakPolarHBondContact O-CA 3.43Å; C576-R584 WeakPolarHBondContact O-CD 3.42Å; R578-R584 HydrophobicContact CB-CG 4.17Å; R578-R584 PolarHBondContact O-NE 3.27Å; R578-R584 PolarHBondContact O-NH2 2.9Å; V579-R584 PolarHBondContact O-NH2 2.87Å; R581-R584 WeakPolarHBondContact O-CB 3.49Å; R581-R584 PolarHBondContact O-N 3Å; R581-R584 VanDerWaalsContact O-N 3.12Å; R584-T586 PolarHBondContact O-N 2.87Å
585	S	91.5	Very high	90.1	Very high	12 Å²	12	46.3 Å²	46.3	8%	0.084	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-63.3	119.9	175	-72.4	0	0	0	0	111.4	V520 R575	V520-S585 WeakPolarHBondContact CG1-O 3.35Å; R575-S585 PolarHBondContact O-N 3.45Å
586	T	93.5	Very high	89.7	Confident	70 Å²	70	45.9 Å²	45.9	43%	0.429	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-59.8	152.6	174.4	63.9	0	0	0	0	111.4	R584 K588 Q589 L590	R584-T586 PolarHBondContact O-N 2.87Å; T586-K588 PolarHBondContact O-N 3.47Å; T586-K588 VanDerWaalsContact O-N 3.07Å; T586-Q589 WeakPolarHBondContact O-CB 3.47Å; T586-Q589 PolarHBondContact O-N 2.89Å; T586-Q589 VanDerWaalsContact OG1-CD 3.28Å; T586-Q589 WeakPolarHBondContact OG1-CG 3.14Å; T586-Q589 PolarHBondContact OG1-N 2.89Å; T586-Q589 PolarHBondContact OG1-OE1 2.78Å; T586-L590 PolarHBondContact O-N 2.95Å
587	V	95.3	Very high	88.8	Confident	8 Å²	8	47.7 Å²	47.7	5%	0.048	23%	0.234	C	C	.	.	H	α-helix	trans	-55.4	-30.9	176.8	-177.4	0	0	0	0	112.2	L447 L450 V520 L591	L447-V587 HydrophobicContact CB-CG1 4.27Å; L447-V587 HydrophobicContact CD2-CG1 3.98Å; L447-V587 WeakPolarHBondContact O-CG1 3.4Å; L450-V587 HydrophobicContact CB-CG1 4.11Å; L450-V587 HydrophobicContact CB-CG2 4.15Å; L450-V587 HydrophobicContact CD1-CG2 4.47Å; V520-V587 HydrophobicContact CG2-CG2 3.71Å; V587-L591 HydrophobicContact CG1-CD1 4.29Å; V587-L591 WeakPolarHBondContact O-CB 3.41Å; V587-L591 WeakPolarHBondContact O-CG 3.48Å; V587-L591 PolarHBondContact O-N 3.12Å
588	K	92.1	Very high	87.5	Confident	145 Å²	145	49.1 Å²	49.1	63%	0.63	24%	0.244	S	C	*	.	H	α-helix	trans	-66.2	-44.8	174	-67.5	177.8	-177.8	171.6	0	112.3	T586 L591 V592	T586-K588 PolarHBondContact O-N 3.47Å; T586-K588 VanDerWaalsContact O-N 3.07Å; K588-L591 PolarHBondContact O-N 2.83Å; K588-V592 PolarHBondContact O-N 2.93Å
589	Q	91.8	Very high	86.1	Confident	77 Å²	77	51.5 Å²	51.5	36%	0.36	26%	0.257	S	S	.	.	H	α-helix	trans	-65.7	-40.2	175.5	-73.3	157.8	-38.8	0	0	111.4	T586 L591 V592 D593	T586-Q589 WeakPolarHBondContact O-CB 3.47Å; T586-Q589 PolarHBondContact O-N 2.89Å; T586-Q589 VanDerWaalsContact OG1-CD 3.28Å; T586-Q589 WeakPolarHBondContact OG1-CG 3.14Å; T586-Q589 PolarHBondContact OG1-N 2.89Å; T586-Q589 PolarHBondContact OG1-OE1 2.78Å; Q589-L591 VanDerWaalsContact C-N 3.35Å; Q589-L591 PolarHBondContact O-N 3Å; Q589-V592 VanDerWaalsContact O-CG2 3.28Å; Q589-V592 WeakPolarHBondContact O-CG2 3.44Å; Q589-V592 PolarHBondContact O-N 3.05Å; Q589-D593 PolarHBondContact O-N 3.23Å
590	L	94.1	Very high	84.5	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-64.6	-36.5	175.4	-65.8	172.5	0	0	0	112.2	L447 V520 F523 I572 T586 V592 D593 F596	L447-L590 HydrophobicContact CD1-CB 3.86Å; L447-L590 HydrophobicContact CD2-CB 3.86Å; L447-L590 HydrophobicContact CD2-CD1 3.77Å; L447-L590 HydrophobicContact CD2-CG 4.48Å; V520-L590 HydrophobicContact CG1-CD1 4.3Å; F523-L590 HydrophobicContact CD1-CD1 4.1Å; F523-L590 HydrophobicContact CE1-CD1 4.12Å; I572-L590 HydrophobicContact CG2-CD2 4.27Å; T586-L590 PolarHBondContact O-N 2.95Å; L590-V592 PolarHBondContact O-N 3.35Å; L590-D593 WeakPolarHBondContact O-CB 3.2Å; L590-D593 PolarHBondContact O-N 3.24Å; L590-F596 VanDerWaalsContact O-CD2 3.24Å; L590-F596 WeakPolarHBondContact O-CD2 3.4Å
591	L	91.6	Very high	83.1	Confident	42 Å²	42	56.5 Å²	56.5	22%	0.22	29%	0.287	C	S	.	.	H	α-helix	trans	-69.1	-17	177.5	-80.9	172	0	0	0	114.8	L447 K448 V587 K588 Q589	L447-L591 HydrophobicContact CB-CD2 3.59Å; L447-L591 HydrophobicContact CB-CG 3.91Å; K448-L591 HydrophobicContact CG-CD2 3.98Å; V587-L591 HydrophobicContact CG1-CD1 4.29Å; V587-L591 WeakPolarHBondContact O-CB 3.41Å; V587-L591 WeakPolarHBondContact O-CG 3.48Å; V587-L591 PolarHBondContact O-N 3.12Å; K588-L591 PolarHBondContact O-N 2.83Å; Q589-L591 VanDerWaalsContact C-N 3.35Å; Q589-L591 PolarHBondContact O-N 3Å
592	V	85.8	Confident	81.9	Confident	103 Å²	103	53.6 Å²	53.6	62%	0.624	28%	0.278	S	S	*	.	H	α-helix	trans	-105.7	-1.4	175.8	-59	0	0	0	0	113.5	K588 Q589 L590	K588-V592 PolarHBondContact O-N 2.93Å; Q589-V592 VanDerWaalsContact O-CG2 3.28Å; Q589-V592 WeakPolarHBondContact O-CG2 3.44Å; Q589-V592 PolarHBondContact O-N 3.05Å; L590-V592 PolarHBondContact O-N 3.35Å
593	D	85.7	Confident	81	Confident	27 Å²	27	47.9 Å²	47.9	14%	0.144	25%	0.254	C	S	.	.	S	Bend	trans	-63.1	136.7	173.6	-173	-73.7	0	0	0	110.6	R575 Q589 L590 F595 F596 T597	R575-D593 IonicContact CZ-OD2 2.65Å; R575-D593 IonicContact NH2-OD2 2.91Å; R575-D593 PolarHBondContact NH2-OD2 2.93Å; Q589-D593 PolarHBondContact O-N 3.23Å; L590-D593 WeakPolarHBondContact O-CB 3.2Å; L590-D593 PolarHBondContact O-N 3.24Å; D593-F595 PolarHBondContact O-N 2.69Å; D593-F595 VanDerWaalsContact O-N 3.09Å; D593-F595 VanDerWaalsContact OD1-CB 3.3Å; D593-F595 WeakPolarHBondContact OD1-CB 3.22Å; D593-F595 PolarHBondContact OD1-N 3.34Å; D593-F596 HydrophobicContact CB-CD2 4.27Å; D593-F596 CarbonylContact O-C 3.55Å; D593-F596 WeakPolarHBondContact O-CA 3.39Å; D593-F596 PolarHBondContact O-N 3.14Å; D593-T597 PolarHBondContact O-N 3.32Å
594	D	80.1	Confident	80.6	Confident	29 Å²	29	46.9 Å²	46.9	16%	0.155	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-52.1	-36.3	-176.8	-57.9	-110.5	0	0	0	113.5	F596 T597 K684	D594-F596 PolarHBondContact O-N 3.26Å; D594-T597 PolarHBondContact O-N 3.17Å; D594-T597 PolarHBondContact O-OG1 3.26Å; D594-K684 VanDerWaalsContact CG-CE 3.44Å; D594-K684 WeakPolarHBondContact OD1-CE 3.48Å; D594-K684 IonicContact OD1-NZ 2.84Å; D594-K684 PolarHBondContact OD1-NZ 3.23Å; D594-K684 WeakPolarHBondContact OD2-CE 3.19Å; D594-K684 IonicContact OD2-NZ 2.86Å; D594-K684 PolarHBondContact OD2-NZ 2.88Å
595	F	84.6	Confident	80	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.009	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-63.4	-30.1	178.2	-175.8	-100.6	0	0	0	112.2	I436 K440 E568 I569 I572 D593	I436-F595 HydrophobicContact CD1-CE2 3.84Å; I436-F595 HydrophobicContact CD1-CZ 3.69Å; K440-F595 HydrophobicContact CD-CD2 4.4Å; K440-F595 HydrophobicContact CD-CE2 4.23Å; K440-F595 HydrophobicContact CD-CZ 4.39Å; K440-F595 WeakPolarHBondContact CD-O 3.37Å; K440-F595 VanDerWaalsContact CE-CD2 3.41Å; K440-F595 HydrophobicContact CG-CD1 4.23Å; K440-F595 HydrophobicContact CG-CD2 4.33Å; K440-F595 HydrophobicContact CG-CE1 3.76Å; K440-F595 HydrophobicContact CG-CE2 3.89Å; K440-F595 HydrophobicContact CG-CG 4.49Å; K440-F595 HydrophobicContact CG-CZ 3.56Å; E568-F595 HydrophobicContact CG-CB 4.32Å; E568-F595 HydrophobicContact CG-CD2 3.36Å; E568-F595 HydrophobicContact CG-CE2 3.93Å; E568-F595 HydrophobicContact CG-CG 4.1Å; E568-F595 WeakPolarHBondContact OE1-CD2 3.13Å; E568-F595 WeakPolarHBondContact OE1-CE2 3.38Å; I569-F595 HydrophobicContact CD1-CE2 3.98Å; I569-F595 HydrophobicContact CD1-CZ 3.7Å; I569-F595 HydrophobicContact CG1-CD2 4.42Å; I569-F595 HydrophobicContact CG1-CE1 4.2Å; I569-F595 HydrophobicContact CG1-CE2 3.54Å; I569-F595 HydrophobicContact CG1-CZ 3.42Å; I569-F595 VanDerWaalsContact CG1-CZ 3.42Å; I572-F595 HydrophobicContact CD1-CB 3.5Å; I572-F595 HydrophobicContact CD1-CD1 3.61Å; I572-F595 HydrophobicContact CD1-CE1 4.5Å; I572-F595 HydrophobicContact CD1-CG 3.69Å; D593-F595 PolarHBondContact O-N 2.69Å; D593-F595 VanDerWaalsContact O-N 3.09Å; D593-F595 VanDerWaalsContact OD1-CB 3.3Å; D593-F595 WeakPolarHBondContact OD1-CB 3.22Å; D593-F595 PolarHBondContact OD1-N 3.34Å
596	F	85.9	Confident	79.9	Confident	3 Å²	3	49.6 Å²	49.6	1%	0.013	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-102.4	5.7	176.2	-58	-54.1	0	0	0	114.1	C443 R444 L447 F523 L527 I572 L590 D593 D594	C443-F596 HydrophobicContact CB-CD1 4.06Å; C443-F596 HydrophobicContact CB-CE1 3.26Å; C443-F596 HydrophobicContact CB-CZ 3.88Å; R444-F596 HydrophobicContact CB-CD1 4.47Å; R444-F596 WeakPolarHBondContact CD-O 3.32Å; R444-F596 PolarHBondContact NH1-O 3.33Å; L447-F596 HydrophobicContact CD1-CD1 4.43Å; L447-F596 HydrophobicContact CD1-CD2 3.75Å; L447-F596 HydrophobicContact CD1-CE2 3.83Å; L447-F596 HydrophobicContact CD1-CG 4.04Å; L447-F596 HydrophobicContact CD1-CZ 4.26Å; F523-F596 HydrophobicContact CE1-CZ 4.44Å; F523-F596 HydrophobicContact CZ-CE2 4.28Å; F523-F596 AromaticContact CZ-CZ 3.88Å; F523-F596 HydrophobicContact CZ-CZ 3.88Å; L527-F596 HydrophobicContact CD2-CZ 4.43Å; I572-F596 HydrophobicContact CD1-CD2 4.5Å; I572-F596 HydrophobicContact CD1-CE2 3.95Å; I572-F596 HydrophobicContact CD1-CZ 4.34Å; I572-F596 HydrophobicContact CG2-CE2 3.77Å; I572-F596 HydrophobicContact CG2-CZ 4.08Å; L590-F596 VanDerWaalsContact O-CD2 3.24Å; L590-F596 WeakPolarHBondContact O-CD2 3.4Å; D593-F596 HydrophobicContact CB-CD2 4.27Å; D593-F596 CarbonylContact O-C 3.55Å; D593-F596 WeakPolarHBondContact O-CA 3.39Å; D593-F596 PolarHBondContact O-N 3.14Å; D594-F596 PolarHBondContact O-N 3.26Å
597	T	76.3	Confident	79.6	Confident	38 Å²	38	47.8 Å²	47.8	23%	0.233	25%	0.245	C	C	.	.	S	Bend	trans	-75.3	144.3	159	69	0	0	0	0	111.1	R444 D593 D594 I602	R444-T597 PolarHBondContact NH1-O 2.68Å; D593-T597 PolarHBondContact O-N 3.32Å; D594-T597 PolarHBondContact O-N 3.17Å; D594-T597 PolarHBondContact O-OG1 3.26Å; T597-I602 HydrophobicContact CG2-CD1 4.5Å
598	P	67.4	Low	79.4	Confident	38 Å²	38	48.3 Å²	48.3	25%	0.247	25%	0.247	C	C	.	.			trans	-78.7	123.6	175.9	-14.3	30.9	0	0	0	110.9	D600 L601	P598-D600 VanDerWaalsContact C-N 3.26Å; P598-D600 PolarHBondContact O-N 3.48Å; P598-L601 HydrophobicContact CB-CB 4.33Å; P598-L601 HydrophobicContact CB-CD1 4.06Å; P598-L601 HydrophobicContact CG-CD1 4.22Å; P598-L601 PolarHBondContact O-N 2.83Å
599	E	63.3	Low	79.1	Confident	88 Å²	88	45.3 Å²	45.3	41%	0.411	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-50.8	-45.5	-179.2	-68.6	156.7	-167.3	0	0	111.7	K437 K440 L601 I602 G603	K437-E599 IonicContact NZ-OE2 3.51Å; K440-E599 IonicContact NZ-OE1 3.14Å; K440-E599 PolarHBondContact NZ-OE1 2.73Å; E599-L601 VanDerWaalsContact C-N 3.3Å; E599-L601 PolarHBondContact O-N 3.44Å; E599-I602 PolarHBondContact O-N 2.88Å; E599-G603 PolarHBondContact O-N 3.03Å; E599-G603 VanDerWaalsContact O-N 3.15Å
600	D	55.6	Low	79	Confident	109 Å²	109	45.5 Å²	45.5	58%	0.583	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-63.6	-21.7	178.5	-61	46.1	0	0	0	115.4	W58 P598 I602	W58-D600 HydrophobicContact CH2-CB 3.85Å; W58-D600 WeakPolarHBondContact CH2-OD1 3.33Å; W58-D600 HydrophobicContact CZ2-CB 4.13Å; P598-D600 VanDerWaalsContact C-N 3.26Å; P598-D600 PolarHBondContact O-N 3.48Å; D600-I602 VanDerWaalsContact C-N 3.33Å
601	L	53.7	Low	78.6	Confident	132 Å²	132	47.5 Å²	47.5	69%	0.691	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-80.4	-17	-178	-110	81.2	0	0	0	113.4	P598 E599	P598-L601 HydrophobicContact CB-CB 4.33Å; P598-L601 HydrophobicContact CB-CD1 4.06Å; P598-L601 HydrophobicContact CG-CD1 4.22Å; P598-L601 PolarHBondContact O-N 2.83Å; E599-L601 VanDerWaalsContact C-N 3.3Å; E599-L601 PolarHBondContact O-N 3.44Å
602	I	61.7	Low	78.3	Confident	30 Å²	30	50.6 Å²	50.6	15%	0.154	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-42.5	-169.6	-41.8	-178.4	0	0	0	110.1	T597 E599 D600 I604 M676 L680	T597-I602 HydrophobicContact CG2-CD1 4.5Å; E599-I602 PolarHBondContact O-N 2.88Å; D600-I602 VanDerWaalsContact C-N 3.33Å; I602-I604 HydrophobicContact CG2-CB 4.23Å; I602-I604 WeakPolarHBondContact CG2-O 3.42Å; I602-I604 WeakPolarHBondContact O-CG1 3.42Å; I602-I604 PolarHBondContact O-N 3.01Å; I602-M676 HydrophobicContact CG2-CG 4.13Å; I602-M676 HydrophobicContact CG2-SD 4.18Å; I602-L680 HydrophobicContact CD1-CD2 4.25Å; I602-L680 HydrophobicContact CG2-CD1 3.79Å; I602-L680 HydrophobicContact CG2-CD2 4.12Å; I602-L680 HydrophobicContact CG2-CG 4.42Å
603	G	69.9	Low	78.3	Confident	11 Å²	11	48 Å²	48	11%	0.113	25%	0.251	C	S	.	.	S	Bend	trans	64.8	-0.6	-176.6	0	0	0	0	0	114.4	E599 Y629 D630	E599-G603 PolarHBondContact O-N 3.03Å; E599-G603 VanDerWaalsContact O-N 3.15Å; G603-Y629 PolarHBondContact O-N 3.16Å; G603-D630 PolarHBondContact O-N 3.25Å
604	I	79.8	Confident	78.5	Confident	8 Å²	8	47.1 Å²	47.1	4%	0.041	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	142.4	-170	-54	163.3	0	0	0	106.3	I602 L626 R627 V628 K633 Y637 D673 I677 L680	I602-I604 HydrophobicContact CG2-CB 4.23Å; I602-I604 WeakPolarHBondContact CG2-O 3.42Å; I602-I604 WeakPolarHBondContact O-CG1 3.42Å; I602-I604 PolarHBondContact O-N 3.01Å; I604-L626 HydrophobicContact CG2-CD1 3.45Å; I604-L626 VanDerWaalsContact CG2-CD1 3.45Å; I604-L626 HydrophobicContact CG2-CG 4.43Å; I604-R627 CarbonylContact C-O 3.58Å; I604-R627 VanDerWaalsContact CA-O 3.31Å; I604-R627 WeakPolarHBondContact CA-O 3.21Å; I604-V628 HydrophobicContact CG1-CG2 4.27Å; I604-V628 HydrophobicContact CG2-CG2 4.46Å; I604-K633 HydrophobicContact CD1-CD 4.43Å; I604-Y637 WeakPolarHBondContact CD1-OH 3.49Å; I604-D673 HydrophobicContact CD1-CB 4.26Å; I604-I677 HydrophobicContact CD1-CD1 4.38Å; I604-I677 HydrophobicContact CD1-CG1 4.4Å; I604-I677 HydrophobicContact CG2-CD1 4.42Å; I604-I677 HydrophobicContact CG2-CG1 4.21Å; I604-L680 HydrophobicContact CB-CD1 4.3Å; I604-L680 HydrophobicContact CG2-CD1 4.08Å
605	R	81	Confident	78.8	Confident	80 Å²	80	47.1 Å²	47.1	30%	0.302	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	142.1	176.9	-163.3	-179.1	-173.7	-155.3	9	110.2	E607 L626 R627 Y629	R605-E607 WeakPolarHBondContact CD-OE1 3.42Å; R605-E607 HydrophobicContact CG-CG 4.26Å; R605-E607 IonicContact CZ-OE1 3.74Å; R605-E607 IonicContact NE-OE1 2.67Å; R605-E607 IonicContact NH1-OE1 2.68Å; R605-E607 PolarHBondContact NH1-OE1 2.87Å; R605-L626 WeakPolarHBondContact O-CA 3.29Å; R605-R627 PolarHBondContact N-O 2.73Å; R605-R627 PolarHBondContact O-N 2.89Å; R605-Y629 HydrophobicContact CB-CD2 4.19Å; R605-Y629 HydrophobicContact CB-CE2 3.78Å
606	V	88	Confident	78.9	Confident	1 Å²	1	51 Å²	51	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.8	165.1	-179.7	0	0	0	0	108.1	M624 Q625 L626 L680 I681 K684	V606-M624 HydrophobicContact CG1-CE 3.76Å; V606-Q625 WeakPolarHBondContact CA-O 3.47Å; V606-L626 HydrophobicContact CG2-CD1 3.76Å; V606-L680 HydrophobicContact CB-CB 4.32Å; V606-L680 HydrophobicContact CG2-CB 3.67Å; V606-L680 HydrophobicContact CG2-CD1 4.4Å; V606-I681 HydrophobicContact CG1-CG1 4.31Å; V606-I681 HydrophobicContact CG2-CG1 4.03Å; V606-K684 HydrophobicContact CB-CG 4.15Å; V606-K684 HydrophobicContact CG1-CG 4.1Å; V606-K684 WeakPolarHBondContact O-CE 3.41Å
607	E	87.6	Confident	79.1	Confident	32 Å²	32	56.3 Å²	56.3	15%	0.15	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	155	176	-67.8	176.2	-163.9	0	0	109.4	R605 M624 Q625 R627	R605-E607 WeakPolarHBondContact CD-OE1 3.42Å; R605-E607 HydrophobicContact CG-CG 4.26Å; R605-E607 IonicContact CZ-OE1 3.74Å; R605-E607 IonicContact NE-OE1 2.67Å; R605-E607 IonicContact NH1-OE1 2.68Å; R605-E607 PolarHBondContact NH1-OE1 2.87Å; E607-M624 CarbonylContact O-C 3.48Å; E607-M624 VanDerWaalsContact O-CA 3.27Å; E607-M624 WeakPolarHBondContact O-CA 3.16Å; E607-Q625 PolarHBondContact N-O 3.25Å; E607-Q625 PolarHBondContact O-N 2.9Å; E607-R627 IonicContact OE1-CZ 3.39Å; E607-R627 IonicContact OE1-NH1 3.02Å; E607-R627 PolarHBondContact OE1-NH1 3.34Å; E607-R627 IonicContact OE2-CZ 3.82Å; E607-R627 IonicContact OE2-NH1 2.66Å; E607-R627 PolarHBondContact OE2-NH1 3.44Å; E607-R627 IonicContact OE2-NH2 3.4Å; E607-R627 PolarHBondContact OE2-NH2 3.03Å
608	I	90.4	Very high	79.6	Confident	18 Å²	18	56.9 Å²	56.9	9%	0.092	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.3	169.5	-58.9	169.3	0	0	0	105.6	R611 I622 Q623 M624 F688	I608-R611 HydrophobicContact CB-CB 4.23Å; I608-R611 HydrophobicContact CG2-CB 4.18Å; I608-I622 HydrophobicContact CD1-CD1 3.85Å; I608-I622 HydrophobicContact CG1-CD1 4.22Å; I608-I622 HydrophobicContact CG2-CB 4.28Å; I608-I622 HydrophobicContact CG2-CD1 4.4Å; I608-Q623 CarbonylContact C-O 3.54Å; I608-Q623 WeakPolarHBondContact CA-O 3.1Å; I608-M624 HydrophobicContact CG1-CE 4.12Å; I608-M624 HydrophobicContact CG1-CG 4.43Å; I608-F688 HydrophobicContact CD1-CB 3.88Å; I608-F688 HydrophobicContact CD1-CD2 3.64Å; I608-F688 HydrophobicContact CD1-CG 4.06Å
609	K	87	Confident	80.6	Confident	83 Å²	83	57.9 Å²	57.9	36%	0.361	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-45.1	-168.7	-90.9	-163.2	175.7	-178	0	112.8	Q623 Q625 Q646 T1136	K609-Q623 PolarHBondContact N-O 3.45Å; K609-Q625 VanDerWaalsContact CE-OE1 3.23Å; K609-Q625 HydrophobicContact CG-CB 4.35Å; K609-Q646 VanDerWaalsContact CE-OE1 3.29Å; K609-T1136 PolarHBondContact NZ-OG1 3.36Å
610	N	89	Confident	82	Confident	80 Å²	80	56 Å²	56	43%	0.428	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	26.9	-173	-63.6	-7.4	0	0	0	112.3	D612 A613 D614	N610-D612 VanDerWaalsContact C-N 3.25Å; N610-D612 PolarHBondContact O-N 2.82Å; N610-A613 PolarHBondContact O-N 3.08Å; N610-D614 WeakPolarHBondContact CB-OD2 3.4Å; N610-D614 PolarHBondContact O-N 2.88Å
611	R	86.9	Confident	83.8	Confident	43 Å²	43	57 Å²	57	16%	0.162	30%	0.296	C	S	.	.	H	α-helix	trans	-40.1	-48.8	-171.1	177.8	172.8	171.5	77.5	-16	113.8	E571 I608 L615 F688 D691	E571-R611 IonicContact OE1-CZ 3.69Å; E571-R611 IonicContact OE1-NH2 2.93Å; E571-R611 PolarHBondContact OE1-NH2 3.15Å; E571-R611 IonicContact OE2-CZ 3.17Å; E571-R611 VanDerWaalsContact OE2-CZ 3.24Å; E571-R611 IonicContact OE2-NE 2.98Å; E571-R611 PolarHBondContact OE2-NE 3.34Å; E571-R611 IonicContact OE2-NH2 2.57Å; E571-R611 PolarHBondContact OE2-NH2 3.31Å; I608-R611 HydrophobicContact CB-CB 4.23Å; I608-R611 HydrophobicContact CG2-CB 4.18Å; R611-L615 WeakPolarHBondContact O-CB 3.44Å; R611-L615 PolarHBondContact O-N 2.81Å; R611-F688 HydrophobicContact CG-CD2 4.45Å; R611-F688 HydrophobicContact CG-CE2 4.39Å; R611-D691 IonicContact CZ-OD2 2.62Å; R611-D691 IonicContact NH1-OD2 2.71Å; R611-D691 PolarHBondContact NH1-OD2 2.94Å; R611-D691 IonicContact NH2-OD2 3.8Å; R611-D691 PolarHBondContact NH2-OD2 2.82Å
612	D	84.6	Confident	85.6	Confident	107 Å²	107	50.7 Å²	50.7	57%	0.572	26%	0.263	S	S	*	.	H	α-helix	trans	-70.5	-32.6	-176.6	-64	-26.2	0	0	0	113.6	N610 N616	N610-D612 VanDerWaalsContact C-N 3.25Å; N610-D612 PolarHBondContact O-N 2.82Å; D612-N616 WeakPolarHBondContact O-CB 3.46Å; D612-N616 PolarHBondContact O-N 3.47Å; D612-N616 PolarHBondContact O-ND2 2.97Å
613	A	86.6	Confident	87.2	Confident	48 Å²	48	53.2 Å²	53.2	40%	0.397	27%	0.274	S	S	.	.	H	α-helix	trans	-74.9	-51.7	174.4	0	0	0	0	0	109.9	N610 L615 N616 D617	N610-A613 PolarHBondContact O-N 3.08Å; A613-L615 PolarHBondContact O-N 3.48Å; A613-L615 VanDerWaalsContact O-N 3.15Å; A613-N616 PolarHBondContact O-N 3.23Å; A613-D617 PolarHBondContact O-N 2.76Å
614	D	89.2	Confident	88.2	Confident	9 Å²	9	52.7 Å²	52.7	5%	0.048	27%	0.268	C	S	.	.	H	α-helix	trans	-55.8	-36.7	-179.6	-62.2	-31.7	0	0	0	112.3	N610 L618 N619 I622 F688	N610-D614 WeakPolarHBondContact CB-OD2 3.4Å; N610-D614 PolarHBondContact O-N 2.88Å; D614-L618 CarbonylContact O-C 3.48Å; D614-L618 WeakPolarHBondContact O-CA 3.24Å; D614-L618 PolarHBondContact O-N 2.81Å; D614-L618 VanDerWaalsContact O-N 3.11Å; D614-N619 HydrophobicContact CB-CB 4.18Å; D614-N619 PolarHBondContact O-N 3.06Å; D614-N619 PolarHBondContact OD1-ND2 3.17Å; D614-I622 HydrophobicContact CB-CG2 3.89Å; D614-F688 HydrophobicContact CB-CE2 4.04Å; D614-F688 HydrophobicContact CB-CZ 3.69Å
615	L	87.2	Confident	88.8	Confident	30 Å²	30	52.7 Å²	52.7	16%	0.157	27%	0.268	C	S	.	.	H	α-helix	trans	-78.4	-24.5	178.2	-154.4	82.6	0	0	0	113.7	R611 A613 F688 D691 R692 R695	R611-L615 WeakPolarHBondContact O-CB 3.44Å; R611-L615 PolarHBondContact O-N 2.81Å; A613-L615 PolarHBondContact O-N 3.48Å; A613-L615 VanDerWaalsContact O-N 3.15Å; L615-F688 HydrophobicContact CB-CE2 4.15Å; L615-F688 HydrophobicContact CB-CZ 4.17Å; L615-F688 HydrophobicContact CD1-CD1 4.29Å; L615-F688 HydrophobicContact CD1-CD2 3.97Å; L615-F688 HydrophobicContact CD1-CE1 3.99Å; L615-F688 HydrophobicContact CD1-CE2 3.64Å; L615-F688 HydrophobicContact CD1-CG 4.29Å; L615-F688 HydrophobicContact CD1-CZ 3.65Å; L615-D691 HydrophobicContact CD1-CB 3.85Å; L615-D691 HydrophobicContact CD2-CB 4.03Å; L615-R692 HydrophobicContact CD1-CB 4.18Å; L615-R695 WeakPolarHBondContact O-CG 3.48Å
616	N	86.3	Confident	89.1	Confident	82 Å²	82	48.9 Å²	48.9	44%	0.439	25%	0.254	S	S	.	.	H	α-helix	trans	-84	-41.1	176.8	-85.6	-61.3	0	0	0	112.1	D612 A613 R695	D612-N616 WeakPolarHBondContact O-CB 3.46Å; D612-N616 PolarHBondContact O-N 3.47Å; D612-N616 PolarHBondContact O-ND2 2.97Å; A613-N616 PolarHBondContact O-N 3.23Å; N616-R695 PolarHBondContact OD1-NE 3.28Å; N616-R695 PolarHBondContact OD1-NH2 3.45Å
617	D	89	Confident	89	Confident	116 Å²	116	52.1 Å²	52.1	62%	0.62	27%	0.266	S	S	*	.	H	α-helix	trans	-81.7	-6.9	178.2	-59.3	-29.3	0	0	0	112.2	A613 N619	A613-D617 PolarHBondContact O-N 2.76Å; D617-N619 VanDerWaalsContact C-N 3.29Å; D617-N619 PolarHBondContact O-N 3.02Å
618	L	88.3	Confident	88.7	Confident	49 Å²	49	51.2 Å²	51.2	26%	0.257	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	31.6	-179.4	-57.4	169.7	0	0	0	113.7	D614 R692 R695 L696 I699	D614-L618 CarbonylContact O-C 3.48Å; D614-L618 WeakPolarHBondContact O-CA 3.24Å; D614-L618 PolarHBondContact O-N 2.81Å; D614-L618 VanDerWaalsContact O-N 3.11Å; L618-R692 HydrophobicContact CD2-CG 3.72Å; L618-R695 HydrophobicContact CD2-CB 4.39Å; L618-R695 HydrophobicContact CD2-CG 4.23Å; L618-L696 HydrophobicContact CD1-CD2 3.72Å; L618-L696 HydrophobicContact CD1-CG 4.18Å; L618-L696 HydrophobicContact CD2-CG 4.11Å; L618-I699 HydrophobicContact CD1-CD1 4.48Å
619	N	88.1	Confident	88	Confident	60 Å²	60	56.2 Å²	56.2	32%	0.321	28%	0.281	S	S	.	.			trans	-53.9	136	-178	-69.8	-19.6	0	0	0	112.2	D614 D617	D614-N619 HydrophobicContact CB-CB 4.18Å; D614-N619 PolarHBondContact O-N 3.06Å; D614-N619 PolarHBondContact OD1-ND2 3.17Å; D617-N619 VanDerWaalsContact C-N 3.29Å; D617-N619 PolarHBondContact O-N 3.02Å
620	V	91.6	Very high	87.4	Confident	49 Å²	49	54.9 Å²	54.9	30%	0.297	28%	0.278	S	S	.	.	S	Bend	trans	-84.7	-39.8	174.9	-178	0	0	0	0	111.3	D650 I651 E652	V620-D650 WeakPolarHBondContact CG1-OD1 3.42Å; V620-I651 WeakPolarHBondContact O-CB 3.42Å; V620-I651 WeakPolarHBondContact O-CD1 3.16Å; V620-I651 VanDerWaalsContact O-CG1 3.3Å; V620-I651 WeakPolarHBondContact O-CG1 3.29Å; V620-I651 PolarHBondContact O-N 2.88Å; V620-E652 HydrophobicContact CG1-CB 4.02Å; V620-E652 HydrophobicContact CG1-CG 4.18Å; V620-E652 VanDerWaalsContact CG1-OE2 3.31Å; V620-E652 WeakPolarHBondContact CG1-OE2 3.16Å; V620-E652 WeakPolarHBondContact CG2-OE2 3.2Å
621	E	93.2	Very high	86.6	Confident	128 Å²	128	57.3 Å²	57.3	60%	0.598	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.8	171.7	-172.6	178.8	-153.2	0	0	110.3	A648 F649	E621-A648 HydrophobicContact CG-CB 4.01Å; E621-A648 WeakPolarHBondContact OE1-CB 3.12Å; E621-F649 WeakPolarHBondContact CA-O 3.17Å
622	I	93	Very high	86	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	146.8	178.8	56.8	166.6	0	0	0	112	I608 D614 M624 A648 F649 I651 F688	I608-I622 HydrophobicContact CD1-CD1 3.85Å; I608-I622 HydrophobicContact CG1-CD1 4.22Å; I608-I622 HydrophobicContact CG2-CB 4.28Å; I608-I622 HydrophobicContact CG2-CD1 4.4Å; D614-I622 HydrophobicContact CB-CG2 3.89Å; I622-M624 HydrophobicContact CD1-CG 4.28Å; I622-M624 HydrophobicContact CG1-CG 4.39Å; I622-A648 CarbonylContact O-C 3.14Å; I622-A648 WeakPolarHBondContact O-CA 3.26Å; I622-F649 HydrophobicContact CG1-CB 4.21Å; I622-F649 VanDerWaalsContact CG1-O 3.31Å; I622-F649 WeakPolarHBondContact CG1-O 3.36Å; I622-F649 PolarHBondContact N-O 3.44Å; I622-F649 PolarHBondContact O-N 2.68Å; I622-I651 HydrophobicContact CD1-CD1 4.18Å; I622-I651 HydrophobicContact CD1-CG1 4.11Å; I622-I651 HydrophobicContact CG1-CD1 4.18Å; I622-I651 HydrophobicContact CG1-CG1 4.09Å; I622-I651 HydrophobicContact CG2-CD1 3.66Å; I622-I651 HydrophobicContact CG2-CG1 4.46Å; I622-F688 HydrophobicContact CD1-CG 4.4Å; I622-F688 HydrophobicContact CG2-CD1 4.46Å; I622-F688 HydrophobicContact CG2-CE1 3.89Å; I622-F688 HydrophobicContact CG2-CE2 4.29Å; I622-F688 HydrophobicContact CG2-CZ 3.79Å
623	Q	93.5	Very high	85.5	Confident	83 Å²	83	61.3 Å²	61.3	39%	0.388	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	112.6	177.7	-65.9	-169.2	1.2	0	0	111.5	I608 K609	I608-Q623 CarbonylContact C-O 3.54Å; I608-Q623 WeakPolarHBondContact CA-O 3.1Å; K609-Q623 PolarHBondContact N-O 3.45Å
624	M	92.7	Very high	84.8	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	152.3	179.6	-56	-170.1	98.3	0	0	111.5	V606 E607 I608 I622 Q646 F647 F649 I681 K684 V685	V606-M624 HydrophobicContact CG1-CE 3.76Å; E607-M624 CarbonylContact O-C 3.48Å; E607-M624 VanDerWaalsContact O-CA 3.27Å; E607-M624 WeakPolarHBondContact O-CA 3.16Å; I608-M624 HydrophobicContact CG1-CE 4.12Å; I608-M624 HydrophobicContact CG1-CG 4.43Å; I622-M624 HydrophobicContact CD1-CG 4.28Å; I622-M624 HydrophobicContact CG1-CG 4.39Å; M624-Q646 WeakPolarHBondContact O-CA 3.31Å; M624-Q646 WeakPolarHBondContact O-CG 3.42Å; M624-F647 HydrophobicContact CB-CD1 4.17Å; M624-F647 HydrophobicContact CB-CD2 4.07Å; M624-F647 HydrophobicContact CB-CE1 3.65Å; M624-F647 HydrophobicContact CB-CE2 3.56Å; M624-F647 HydrophobicContact CB-CG 4.35Å; M624-F647 HydrophobicContact CB-CZ 3.32Å; M624-F647 HydrophobicContact CG-CE2 4.03Å; M624-F647 HydrophobicContact CG-CZ 4.14Å; M624-F647 PolarHBondContact N-O 3.12Å; M624-F647 PolarHBondContact O-N 3.19Å; M624-F647 VanDerWaalsContact O-O 3.12Å; M624-F647 HydrophobicContact SD-CE2 3.61Å; M624-F647 HydrophobicContact SD-CZ 3.84Å; M624-F649 HydrophobicContact CG-CB 4.08Å; M624-F649 HydrophobicContact SD-CB 3.68Å; M624-F649 HydrophobicContact SD-CD2 4.17Å; M624-F649 HydrophobicContact SD-CG 3.97Å; M624-I681 HydrophobicContact CE-CG2 4.37Å; M624-I681 HydrophobicContact SD-CG2 4.11Å; M624-K684 HydrophobicContact CE-CB 3.64Å; M624-K684 HydrophobicContact CE-CG 4.48Å; M624-V685 HydrophobicContact CE-CG2 4.04Å; M624-V685 HydrophobicContact SD-CG2 4.33Å
625	Q	90.5	Very high	83.9	Confident	9 Å²	9	69.8 Å²	69.8	4%	0.042	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	126.8	173.4	-166.1	179.2	31	0	0	111.7	V606 E607 K609 G644 L645 Q646	V606-Q625 WeakPolarHBondContact CA-O 3.47Å; E607-Q625 PolarHBondContact N-O 3.25Å; E607-Q625 PolarHBondContact O-N 2.9Å; K609-Q625 VanDerWaalsContact CE-OE1 3.23Å; K609-Q625 HydrophobicContact CG-CB 4.35Å; Q625-G644 PolarHBondContact NE2-O 3.21Å; Q625-L645 CarbonylContact C-O 3.58Å; Q625-L645 WeakPolarHBondContact CA-O 3.38Å; Q625-Q646 HydrophobicContact CG-CB 4.43Å
626	L	89.1	Confident	83.4	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	125.2	174.5	177	73	0	0	0	110.1	I604 R605 V606 F639 G644 L645 F647 I669 I677	I604-L626 HydrophobicContact CG2-CD1 3.45Å; I604-L626 VanDerWaalsContact CG2-CD1 3.45Å; I604-L626 HydrophobicContact CG2-CG 4.43Å; R605-L626 WeakPolarHBondContact O-CA 3.29Å; V606-L626 HydrophobicContact CG2-CD1 3.76Å; L626-F639 HydrophobicContact CD2-CE1 4.43Å; L626-G644 CarbonylContact O-C 3.55Å; L626-G644 VanDerWaalsContact O-C 3.3Å; L626-G644 WeakPolarHBondContact O-CA 3.15Å; L626-L645 HydrophobicContact CB-CB 4.37Å; L626-L645 HydrophobicContact CD2-CD2 4.36Å; L626-L645 PolarHBondContact N-O 3.29Å; L626-L645 PolarHBondContact O-N 3.14Å; L626-F647 HydrophobicContact CB-CE1 4.26Å; L626-I669 HydrophobicContact CD2-CD1 3.42Å; L626-I669 VanDerWaalsContact CD2-CD1 3.42Å; L626-I669 HydrophobicContact CD2-CG1 3.94Å; L626-I677 HydrophobicContact CD1-CD1 4.3Å; L626-I677 HydrophobicContact CD1-CG1 4.26Å; L626-I677 HydrophobicContact CD1-CG2 4.02Å; L626-I677 HydrophobicContact CD2-CD1 4.14Å; L626-I677 HydrophobicContact CD2-CG2 4.3Å
627	R	84.8	Confident	83	Confident	69 Å²	69	69.1 Å²	69.1	26%	0.26	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	137.8	176.2	-67.4	-177.3	-168.2	140.3	12.9	111.3	I604 R605 E607 Y629	I604-R627 CarbonylContact C-O 3.58Å; I604-R627 VanDerWaalsContact CA-O 3.31Å; I604-R627 WeakPolarHBondContact CA-O 3.21Å; R605-R627 PolarHBondContact N-O 2.73Å; R605-R627 PolarHBondContact O-N 2.89Å; E607-R627 IonicContact OE1-CZ 3.39Å; E607-R627 IonicContact OE1-NH1 3.02Å; E607-R627 PolarHBondContact OE1-NH1 3.34Å; E607-R627 IonicContact OE2-CZ 3.82Å; E607-R627 IonicContact OE2-NH1 2.66Å; E607-R627 PolarHBondContact OE2-NH1 3.44Å; E607-R627 IonicContact OE2-NH2 3.4Å; E607-R627 PolarHBondContact OE2-NH2 3.03Å; R627-Y629 HydrophobicContact CB-CD2 4.29Å; R627-Y629 HydrophobicContact CB-CE2 3.7Å; R627-Y629 WeakPolarHBondContact CD-OH 3.48Å; R627-Y629 PolarHBondContact NH1-OH 2.94Å
628	V	82.4	Confident	82.1	Confident	13 Å²	13	72.6 Å²	72.6	8%	0.079	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	112.1	173.6	175.2	0	0	0	0	108.6	I604 K633 R634 Y637 F639	I604-V628 HydrophobicContact CG1-CG2 4.27Å; I604-V628 HydrophobicContact CG2-CG2 4.46Å; V628-K633 HydrophobicContact CG1-CB 4.07Å; V628-R634 HydrophobicContact CG1-CB 4.31Å; V628-R634 HydrophobicContact CG1-CG 4.4Å; V628-Y637 HydrophobicContact CB-CD2 4.46Å; V628-Y637 HydrophobicContact CG1-CD2 4.23Å; V628-Y637 HydrophobicContact CG1-CE2 4.26Å; V628-Y637 HydrophobicContact CG2-CD1 3.85Å; V628-Y637 HydrophobicContact CG2-CD2 3.71Å; V628-Y637 HydrophobicContact CG2-CE1 3.77Å; V628-Y637 HydrophobicContact CG2-CE2 3.65Å; V628-Y637 HydrophobicContact CG2-CG 3.82Å; V628-F639 HydrophobicContact CB-CE2 4.49Å; V628-F639 HydrophobicContact CB-CZ 4.32Å; V628-F639 HydrophobicContact CG2-CE2 4.37Å; V628-F639 HydrophobicContact CG2-CZ 3.73Å
629	Y	75.1	Confident	81.4	Confident	123 Å²	123	71.3 Å²	71.3	48%	0.482	32%	0.316	S	S	.	.			trans	-88.9	-36.9	179.9	-73.3	-87	0	0	0	111.8	G603 R605 R627 E631 R634	G603-Y629 PolarHBondContact O-N 3.16Å; R605-Y629 HydrophobicContact CB-CD2 4.19Å; R605-Y629 HydrophobicContact CB-CE2 3.78Å; R627-Y629 HydrophobicContact CB-CD2 4.29Å; R627-Y629 HydrophobicContact CB-CE2 3.7Å; R627-Y629 WeakPolarHBondContact CD-OH 3.48Å; R627-Y629 PolarHBondContact NH1-OH 2.94Å; Y629-E631 PolarHBondContact O-N 2.94Å; Y629-E631 VanDerWaalsContact O-N 3.13Å; Y629-R634 PolarHBondContact O-NH2 2.84Å; Y629-R634 VanDerWaalsContact O-NH2 3.12Å
630	D	74.1	Confident	80.1	Confident	55 Å²	55	75 Å²	75	29%	0.294	33%	0.329	S	S	.	.			trans	-63.7	113.6	178	176.4	16.4	0	0	0	111.3	G603 K632 K633 R634	G603-D630 PolarHBondContact O-N 3.25Å; D630-K632 PolarHBondContact O-N 3.34Å; D630-K632 WeakPolarHBondContact OD1-CB 3.48Å; D630-K632 PolarHBondContact OD1-N 3.44Å; D630-K633 HydrophobicContact CB-CB 4.24Å; D630-K633 PolarHBondContact O-N 3.38Å; D630-K633 WeakPolarHBondContact OD2-CG 3.35Å; D630-R634 WeakPolarHBondContact O-CB 3.44Å; D630-R634 PolarHBondContact O-N 3.41Å
631	E	73.1	Confident	78.3	Confident	130 Å²	130	78.5 Å²	78.5	61%	0.607	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.6	-179.3	-161.9	140	-85.1	0	0	113.7	Y629 R634	Y629-E631 PolarHBondContact O-N 2.94Å; Y629-E631 VanDerWaalsContact O-N 3.13Å; E631-R634 IonicContact OE1-CZ 2.69Å; E631-R634 VanDerWaalsContact OE1-CZ 3.23Å; E631-R634 IonicContact OE1-NH1 2.68Å; E631-R634 PolarHBondContact OE1-NH1 3.26Å; E631-R634 IonicContact OE1-NH2 3.44Å; E631-R634 PolarHBondContact OE1-NH2 2.87Å
632	K	73.8	Confident	76.5	Confident	181 Å²	181	79.4 Å²	79.4	79%	0.787	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-51.9	174.9	-62.7	175.8	-178.4	175	0	110.6	D630 R634	D630-K632 PolarHBondContact O-N 3.34Å; D630-K632 WeakPolarHBondContact OD1-CB 3.48Å; D630-K632 PolarHBondContact OD1-N 3.44Å; K632-R634 VanDerWaalsContact C-N 3.3Å; K632-R634 PolarHBondContact O-N 3.16Å
633	K	74.1	Confident	75.4	Confident	54 Å²	54	81 Å²	81	24%	0.235	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-63.7	-31.7	175.5	-78.9	-172.8	169.7	-160.3	0	113.5	I604 V628 D630 K635 Q636 Y637 D673	I604-K633 HydrophobicContact CD1-CD 4.43Å; V628-K633 HydrophobicContact CG1-CB 4.07Å; D630-K633 HydrophobicContact CB-CB 4.24Å; D630-K633 PolarHBondContact O-N 3.38Å; D630-K633 WeakPolarHBondContact OD2-CG 3.35Å; K633-K635 PolarHBondContact O-N 3.08Å; K633-Q636 VanDerWaalsContact O-CB 3.24Å; K633-Q636 WeakPolarHBondContact O-CB 3.4Å; K633-Q636 PolarHBondContact O-N 3.35Å; K633-Y637 HydrophobicContact CB-CE2 4.37Å; K633-Y637 WeakPolarHBondContact O-CD2 3.47Å; K633-D673 WeakPolarHBondContact CE-OD2 3.43Å; K633-D673 IonicContact NZ-OD1 2.77Å; K633-D673 PolarHBondContact NZ-OD1 3.12Å; K633-D673 IonicContact NZ-OD2 2.75Å; K633-D673 PolarHBondContact NZ-OD2 2.99Å
634	R	70.8	Confident	74.6	Confident	41 Å²	41	77.1 Å²	77.1	16%	0.155	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-51.1	-31.5	-173.6	-148.8	-176	-61.5	139.4	2.7	114.6	V628 Y629 D630 E631 K632 Q636 E641	V628-R634 HydrophobicContact CG1-CB 4.31Å; V628-R634 HydrophobicContact CG1-CG 4.4Å; Y629-R634 PolarHBondContact O-NH2 2.84Å; Y629-R634 VanDerWaalsContact O-NH2 3.12Å; D630-R634 WeakPolarHBondContact O-CB 3.44Å; D630-R634 PolarHBondContact O-N 3.41Å; E631-R634 IonicContact OE1-CZ 2.69Å; E631-R634 VanDerWaalsContact OE1-CZ 3.23Å; E631-R634 IonicContact OE1-NH1 2.68Å; E631-R634 PolarHBondContact OE1-NH1 3.26Å; E631-R634 IonicContact OE1-NH2 3.44Å; E631-R634 PolarHBondContact OE1-NH2 2.87Å; K632-R634 VanDerWaalsContact C-N 3.3Å; K632-R634 PolarHBondContact O-N 3.16Å; R634-Q636 VanDerWaalsContact C-N 3.28Å; R634-Q636 PolarHBondContact O-N 2.84Å; R634-E641 HydrophobicContact CG-CG 4.4Å; R634-E641 IonicContact CZ-OE1 3.58Å; R634-E641 IonicContact NH1-OE1 2.96Å; R634-E641 PolarHBondContact NH1-OE1 2.87Å
635	K	72.1	Confident	74.4	Confident	193 Å²	193	77.1 Å²	77.1	84%	0.839	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-72.1	-16.2	178.1	-62.4	-178.4	-177.3	178.5	0	114.8	K633	K633-K635 PolarHBondContact O-N 3.08Å
636	Q	75	Confident	74.4	Confident	86 Å²	86	77.7 Å²	77.7	40%	0.402	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-89.4	-15	-178	-158.1	177.1	-6.8	0	0	112.3	K633 R634 P670 E672	K633-Q636 VanDerWaalsContact O-CB 3.24Å; K633-Q636 WeakPolarHBondContact O-CB 3.4Å; K633-Q636 PolarHBondContact O-N 3.35Å; R634-Q636 VanDerWaalsContact C-N 3.28Å; R634-Q636 PolarHBondContact O-N 2.84Å; Q636-P670 HydrophobicContact CB-CG 4.44Å; Q636-P670 HydrophobicContact CG-CB 3.87Å; Q636-P670 HydrophobicContact CG-CG 3.86Å; Q636-E672 PolarHBondContact NE2-OE2 2.86Å
637	Y	78.1	Confident	74.5	Confident	12 Å²	12	77.8 Å²	77.8	5%	0.047	35%	0.345	C	S	.	.	S	Bend	trans	-95.5	147.8	177.2	-70.1	-100.8	0	0	0	110.7	I604 V628 K633 F639 I669 P670 D673 I677	I604-Y637 WeakPolarHBondContact CD1-OH 3.49Å; V628-Y637 HydrophobicContact CB-CD2 4.46Å; V628-Y637 HydrophobicContact CG1-CD2 4.23Å; V628-Y637 HydrophobicContact CG1-CE2 4.26Å; V628-Y637 HydrophobicContact CG2-CD1 3.85Å; V628-Y637 HydrophobicContact CG2-CD2 3.71Å; V628-Y637 HydrophobicContact CG2-CE1 3.77Å; V628-Y637 HydrophobicContact CG2-CE2 3.65Å; V628-Y637 HydrophobicContact CG2-CG 3.82Å; K633-Y637 HydrophobicContact CB-CE2 4.37Å; K633-Y637 WeakPolarHBondContact O-CD2 3.47Å; Y637-F639 HydrophobicContact CD1-CD1 4.46Å; Y637-F639 AromaticContact CD1-CE1 3.61Å; Y637-F639 HydrophobicContact CD1-CE1 3.61Å; Y637-F639 AromaticContact CD1-CZ 3.99Å; Y637-F639 HydrophobicContact CD1-CZ 3.99Å; Y637-F639 HydrophobicContact CE1-CE1 4.5Å; Y637-F639 HydrophobicContact CG-CE1 4.17Å; Y637-F639 HydrophobicContact CG-CZ 4.31Å; Y637-I669 HydrophobicContact CD1-CG1 4.39Å; Y637-I669 HydrophobicContact CE1-CB 4.32Å; Y637-I669 HydrophobicContact CE1-CG1 4.15Å; Y637-I669 HydrophobicContact CE1-CG2 4.1Å; Y637-P670 HydrophobicContact CE1-CG 4.43Å; Y637-P670 HydrophobicContact CE2-CG 4.05Å; Y637-D673 WeakPolarHBondContact OH-CB 3.11Å; Y637-D673 PolarHBondContact OH-OD2 3.06Å; Y637-I677 HydrophobicContact CE1-CD1 4.11Å
638	R	71	Confident	75	Confident	189 Å²	189	75.2 Å²	75.2	71%	0.713	34%	0.338	S	S	*	.	S	Bend	trans	-88.4	-10.3	-176.2	-66.4	-63.1	-161	172	6.2	115	Q667	R638-Q667 WeakPolarHBondContact CB-O 3.24Å; R638-Q667 WeakPolarHBondContact CG-O 3.3Å
639	F	73.7	Confident	75.6	Confident	22 Å²	22	74.6 Å²	74.6	10%	0.096	33%	0.334	C	S	.	.	S	Bend	trans	-84.3	160.2	175.5	58	-102	0	0	0	112	L626 V628 Y637 E643 L645 V1135	L626-F639 HydrophobicContact CD2-CE1 4.43Å; V628-F639 HydrophobicContact CB-CE2 4.49Å; V628-F639 HydrophobicContact CB-CZ 4.32Å; V628-F639 HydrophobicContact CG2-CE2 4.37Å; V628-F639 HydrophobicContact CG2-CZ 3.73Å; Y637-F639 HydrophobicContact CD1-CD1 4.46Å; Y637-F639 AromaticContact CD1-CE1 3.61Å; Y637-F639 HydrophobicContact CD1-CE1 3.61Å; Y637-F639 AromaticContact CD1-CZ 3.99Å; Y637-F639 HydrophobicContact CD1-CZ 3.99Å; Y637-F639 HydrophobicContact CE1-CE1 4.5Å; Y637-F639 HydrophobicContact CG-CE1 4.17Å; Y637-F639 HydrophobicContact CG-CZ 4.31Å; F639-E643 WeakPolarHBondContact CD2-O 3.47Å; F639-L645 HydrophobicContact CD1-CB 3.84Å; F639-L645 HydrophobicContact CE1-CB 3.96Å; F639-L645 HydrophobicContact CG-CB 4.45Å; F639-V1135 HydrophobicContact CB-CG1 4.22Å; F639-V1135 HydrophobicContact CB-CG2 4.2Å
640	K	60.2	Low	76.5	Confident	137 Å²	137	70.6 Å²	70.6	60%	0.596	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-79.6	160.9	-171.1	-78.4	-165.8	172	-158.6	0	113.4	N642 E643	K640-N642 PolarHBondContact O-N 3.35Å; K640-E643 HydrophobicContact CB-CB 4.2Å; K640-E643 HydrophobicContact CB-CG 4.44Å; K640-E643 WeakPolarHBondContact CB-OE2 3.11Å; K640-E643 PolarHBondContact O-N 3.01Å
641	E	55	Low	77.4	Confident	124 Å²	124	68 Å²	68	58%	0.579	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	127.2	175.2	-101.8	172.1	166.9	0	0	112.4	R634 E643	R634-E641 HydrophobicContact CG-CG 4.4Å; R634-E641 IonicContact CZ-OE1 3.58Å; R634-E641 IonicContact NH1-OE1 2.96Å; R634-E641 PolarHBondContact NH1-OE1 2.87Å; E641-E643 PolarHBondContact O-N 2.95Å; E641-E643 VanDerWaalsContact O-N 3.12Å
642	N	55.3	Low	78.2	Confident	146 Å²	146	65.1 Å²	65.1	78%	0.781	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	-11.1	-175	-44.7	-62.8	0	0	0	116.1	K640 G644	K640-N642 PolarHBondContact O-N 3.35Å; N642-G644 PolarHBondContact O-N 3.49Å
643	E	68.6	Low	79.2	Confident	33 Å²	33	60.5 Å²	60.5	15%	0.154	28%	0.278	C	S	.	.			trans	-92.3	82	179	-66.3	178.7	173.5	0	0	110.8	F639 K640 E641 V1135 K1137	F639-E643 WeakPolarHBondContact CD2-O 3.47Å; K640-E643 HydrophobicContact CB-CB 4.2Å; K640-E643 HydrophobicContact CB-CG 4.44Å; K640-E643 WeakPolarHBondContact CB-OE2 3.11Å; K640-E643 PolarHBondContact O-N 3.01Å; E641-E643 PolarHBondContact O-N 2.95Å; E641-E643 VanDerWaalsContact O-N 3.12Å; E643-V1135 HydrophobicContact CB-CG1 4.15Å; E643-K1137 WeakPolarHBondContact OE1-CA 3.46Å; E643-K1137 WeakPolarHBondContact OE1-CB 3.26Å; E643-K1137 WeakPolarHBondContact OE1-CG 3.37Å
644	G	78.3	Confident	80.1	Confident	2 Å²	2	59.4 Å²	59.4	2%	0.021	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-61.7	140	178.4	0	0	0	0	0	113.7	Q625 L626 N642 Q646	Q625-G644 PolarHBondContact NE2-O 3.21Å; L626-G644 CarbonylContact O-C 3.55Å; L626-G644 VanDerWaalsContact O-C 3.3Å; L626-G644 WeakPolarHBondContact O-CA 3.15Å; N642-G644 PolarHBondContact O-N 3.49Å; G644-Q646 PolarHBondContact O-N 2.7Å
645	L	87.4	Confident	81.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	119	175.4	177.4	72.2	0	0	0	110.4	Q625 L626 F639 M663 H668 I669 F1133 V1135	Q625-L645 CarbonylContact C-O 3.58Å; Q625-L645 WeakPolarHBondContact CA-O 3.38Å; L626-L645 HydrophobicContact CB-CB 4.37Å; L626-L645 HydrophobicContact CD2-CD2 4.36Å; L626-L645 PolarHBondContact N-O 3.29Å; L626-L645 PolarHBondContact O-N 3.14Å; F639-L645 HydrophobicContact CD1-CB 3.84Å; F639-L645 HydrophobicContact CE1-CB 3.96Å; F639-L645 HydrophobicContact CG-CB 4.45Å; L645-M663 HydrophobicContact CD2-CE 4.4Å; L645-M663 HydrophobicContact CD2-CG 4.13Å; L645-M663 HydrophobicContact CD2-SD 4.34Å; L645-H668 HydrophobicContact CD1-CB 4.24Å; L645-H668 HydrophobicContact CD2-CB 3.81Å; L645-I669 HydrophobicContact CD2-CD1 4.48Å; L645-F1133 HydrophobicContact CD1-CB 4.39Å; L645-V1135 HydrophobicContact CD1-CG2 4.18Å
646	Q	90	Very high	82.2	Confident	21 Å²	21	51 Å²	51	10%	0.098	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	140.9	174.9	-178	175	-16.6	0	0	110.6	K609 M624 Q625 G644 Q1134 T1136	K609-Q646 VanDerWaalsContact CE-OE1 3.29Å; M624-Q646 WeakPolarHBondContact O-CA 3.31Å; M624-Q646 WeakPolarHBondContact O-CG 3.42Å; Q625-Q646 HydrophobicContact CG-CB 4.43Å; G644-Q646 PolarHBondContact O-N 2.7Å; Q646-Q1134 WeakPolarHBondContact CA-O 3.5Å; Q646-Q1134 WeakPolarHBondContact CB-O 3.39Å; Q646-Q1134 PolarHBondContact N-O 3.19Å; Q646-Q1134 PolarHBondContact O-N 2.9Å; Q646-T1136 HydrophobicContact CB-CG2 4.47Å
647	F	92.7	Very high	83.1	Confident	3 Å²	3	51.7 Å²	51.7	1%	0.013	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	149.2	-179.1	60.3	-77.5	0	0	0	110.1	M624 L626 V659 M663 I681 R1132 F1133	M624-F647 HydrophobicContact CB-CD1 4.17Å; M624-F647 HydrophobicContact CB-CD2 4.07Å; M624-F647 HydrophobicContact CB-CE1 3.65Å; M624-F647 HydrophobicContact CB-CE2 3.56Å; M624-F647 HydrophobicContact CB-CG 4.35Å; M624-F647 HydrophobicContact CB-CZ 3.32Å; M624-F647 HydrophobicContact CG-CE2 4.03Å; M624-F647 HydrophobicContact CG-CZ 4.14Å; M624-F647 PolarHBondContact N-O 3.12Å; M624-F647 PolarHBondContact O-N 3.19Å; M624-F647 VanDerWaalsContact O-O 3.12Å; M624-F647 HydrophobicContact SD-CE2 3.61Å; M624-F647 HydrophobicContact SD-CZ 3.84Å; L626-F647 HydrophobicContact CB-CE1 4.26Å; F647-V659 HydrophobicContact CD2-CG1 3.88Å; F647-V659 HydrophobicContact CE2-CG1 3.98Å; F647-M663 HydrophobicContact CB-CE 4.24Å; F647-M663 HydrophobicContact CD1-CE 3.37Å; F647-M663 HydrophobicContact CD2-CE 3.48Å; F647-M663 VanDerWaalsContact CD2-CE 3.48Å; F647-M663 HydrophobicContact CE1-CE 3.42Å; F647-M663 VanDerWaalsContact CE1-CE 3.42Å; F647-M663 HydrophobicContact CE2-CE 3.51Å; F647-M663 HydrophobicContact CG-CE 3.42Å; F647-M663 VanDerWaalsContact CG-CE 3.42Å; F647-M663 HydrophobicContact CZ-CE 3.48Å; F647-M663 VanDerWaalsContact CZ-CE 3.48Å; F647-I681 HydrophobicContact CE2-CD1 3.86Å; F647-I681 HydrophobicContact CE2-CG1 4.43Å; F647-I681 HydrophobicContact CZ-CD1 3.59Å; F647-I681 HydrophobicContact CZ-CG1 3.96Å; F647-R1132 WeakPolarHBondContact CA-O 3.34Å; F647-F1133 HydrophobicContact CB-CD1 3.57Å; F647-F1133 HydrophobicContact CB-CE1 3.67Å; F647-F1133 HydrophobicContact CB-CG 4.48Å; F647-F1133 HydrophobicContact CG-CD1 4.47Å; F647-F1133 HydrophobicContact CG-CE1 4.28Å
648	A	93.4	Very high	83.8	Confident	15 Å²	15	56.8 Å²	56.8	12%	0.124	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	155.6	169	0	0	0	0	0	111.3	E621 I622 R1132	E621-A648 HydrophobicContact CG-CB 4.01Å; E621-A648 WeakPolarHBondContact OE1-CB 3.12Å; I622-A648 CarbonylContact O-C 3.14Å; I622-A648 WeakPolarHBondContact O-CA 3.26Å; A648-R1132 HydrophobicContact CB-CG 4.5Å; A648-R1132 VanDerWaalsContact O-CZ 3.28Å; A648-R1132 PolarHBondContact O-NE 2.82Å; A648-R1132 PolarHBondContact O-NH2 3.36Å
649	F	95.6	Very high	84.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	118.8	174.5	-166.4	-76.1	0	0	0	110.3	E621 I622 M624 D654 P656 V659 I681 V685	E621-F649 WeakPolarHBondContact CA-O 3.17Å; I622-F649 HydrophobicContact CG1-CB 4.21Å; I622-F649 VanDerWaalsContact CG1-O 3.31Å; I622-F649 WeakPolarHBondContact CG1-O 3.36Å; I622-F649 PolarHBondContact N-O 3.44Å; I622-F649 PolarHBondContact O-N 2.68Å; M624-F649 HydrophobicContact CG-CB 4.08Å; M624-F649 HydrophobicContact SD-CB 3.68Å; M624-F649 HydrophobicContact SD-CD2 4.17Å; M624-F649 HydrophobicContact SD-CG 3.97Å; F649-D654 HydrophobicContact CD1-CB 4.26Å; F649-D654 HydrophobicContact CD2-CB 4.25Å; F649-D654 HydrophobicContact CE1-CB 3.84Å; F649-D654 HydrophobicContact CE2-CB 3.84Å; F649-D654 HydrophobicContact CG-CB 4.44Å; F649-D654 HydrophobicContact CZ-CB 3.61Å; F649-D654 WeakPolarHBondContact CZ-O 3.41Å; F649-P656 HydrophobicContact CE2-CG 4.38Å; F649-P656 HydrophobicContact CZ-CG 4.1Å; F649-V659 HydrophobicContact CD2-CB 4.37Å; F649-V659 HydrophobicContact CD2-CG1 4.26Å; F649-V659 HydrophobicContact CD2-CG2 3.91Å; F649-V659 HydrophobicContact CE2-CB 4.24Å; F649-V659 HydrophobicContact CE2-CG2 3.79Å; F649-I681 HydrophobicContact CD2-CG2 4.02Å; F649-I681 HydrophobicContact CE2-CG2 3.84Å; F649-V685 HydrophobicContact CD1-CG2 3.74Å; F649-V685 HydrophobicContact CE1-CB 4.41Å; F649-V685 HydrophobicContact CE1-CG1 3.95Å; F649-V685 HydrophobicContact CE1-CG2 3.6Å; F649-V685 HydrophobicContact CE2-CG2 4.42Å; F649-V685 HydrophobicContact CG-CG2 4.24Å; F649-V685 HydrophobicContact CZ-CG2 3.98Å
650	D	94.1	Very high	85.8	Confident	38 Å²	38	46.8 Å²	46.8	20%	0.203	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	116.9	171.2	-179.7	-39	0	0	0	109.3	V620 E652 N653 D654	V620-D650 WeakPolarHBondContact CG1-OD1 3.42Å; D650-E652 PolarHBondContact O-N 2.8Å; D650-E652 PolarHBondContact OD1-N 2.83Å; D650-N653 HydrophobicContact CB-CB 4.36Å; D650-N653 PolarHBondContact OD1-N 2.64Å; D650-N653 PolarHBondContact OD1-ND2 3.1Å; D650-N653 PolarHBondContact OD2-ND2 2.74Å; D650-D654 WeakPolarHBondContact CB-OD2 3.36Å; D650-D654 PolarHBondContact N-OD2 2.88Å; D650-D654 WeakPolarHBondContact O-CB 3.42Å; D650-D654 PolarHBondContact O-N 2.82Å; D650-D654 VanDerWaalsContact O-N 3.1Å
651	I	92.4	Very high	87.3	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.1	-174.2	-68.8	161.1	0	0	0	113	V620 I622 F688 R689	V620-I651 WeakPolarHBondContact O-CB 3.42Å; V620-I651 WeakPolarHBondContact O-CD1 3.16Å; V620-I651 VanDerWaalsContact O-CG1 3.3Å; V620-I651 WeakPolarHBondContact O-CG1 3.29Å; V620-I651 PolarHBondContact O-N 2.88Å; I622-I651 HydrophobicContact CD1-CD1 4.18Å; I622-I651 HydrophobicContact CD1-CG1 4.11Å; I622-I651 HydrophobicContact CG1-CD1 4.18Å; I622-I651 HydrophobicContact CG1-CG1 4.09Å; I622-I651 HydrophobicContact CG2-CD1 3.66Å; I622-I651 HydrophobicContact CG2-CG1 4.46Å; I651-F688 HydrophobicContact CD1-CD1 3.4Å; I651-F688 VanDerWaalsContact CD1-CD1 3.4Å; I651-F688 HydrophobicContact CD1-CE1 3.4Å; I651-F688 HydrophobicContact CG1-CD1 4.46Å; I651-R689 HydrophobicContact CG2-CG 3.54Å; I651-R689 PolarHBondContact O-NE 2.75Å; I651-R689 PolarHBondContact O-NH2 2.78Å
652	E	91.4	Very high	89	Confident	70 Å²	70	42.5 Å²	42.5	33%	0.327	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-33	-172.2	-76.5	157.1	-172.3	0	0	112.5	V620 D650 R692	V620-E652 HydrophobicContact CG1-CB 4.02Å; V620-E652 HydrophobicContact CG1-CG 4.18Å; V620-E652 VanDerWaalsContact CG1-OE2 3.31Å; V620-E652 WeakPolarHBondContact CG1-OE2 3.16Å; V620-E652 WeakPolarHBondContact CG2-OE2 3.2Å; D650-E652 PolarHBondContact O-N 2.8Å; D650-E652 PolarHBondContact OD1-N 2.83Å; E652-R692 IonicContact OE1-CZ 3.24Å; E652-R692 IonicContact OE1-NH1 2.68Å; E652-R692 PolarHBondContact OE1-NH1 2.86Å; E652-R692 IonicContact OE1-NH2 3.2Å; E652-R692 PolarHBondContact OE1-NH2 3.22Å
653	N	93.1	Very high	90.6	Very high	84 Å²	84	35.6 Å²	35.6	45%	0.449	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-22.9	-179.1	-63.2	-83	0	0	0	115	D650 R1403	D650-N653 HydrophobicContact CB-CB 4.36Å; D650-N653 PolarHBondContact OD1-N 2.64Å; D650-N653 PolarHBondContact OD1-ND2 3.1Å; D650-N653 PolarHBondContact OD2-ND2 2.74Å; N653-R1403 PolarHBondContact OD1-NH2 3.18Å
654	D	94	Very high	91.5	Very high	30 Å²	30	35.1 Å²	35.1	16%	0.16	18%	0.182	C	C	.	.			trans	-93.8	143.8	-175.2	-73.8	-57.6	0	0	0	115.2	F649 D650 V659 R1132	F649-D654 HydrophobicContact CD1-CB 4.26Å; F649-D654 HydrophobicContact CD2-CB 4.25Å; F649-D654 HydrophobicContact CE1-CB 3.84Å; F649-D654 HydrophobicContact CE2-CB 3.84Å; F649-D654 HydrophobicContact CG-CB 4.44Å; F649-D654 HydrophobicContact CZ-CB 3.61Å; F649-D654 WeakPolarHBondContact CZ-O 3.41Å; D650-D654 WeakPolarHBondContact CB-OD2 3.36Å; D650-D654 PolarHBondContact N-OD2 2.88Å; D650-D654 WeakPolarHBondContact O-CB 3.42Å; D650-D654 PolarHBondContact O-N 2.82Å; D650-D654 VanDerWaalsContact O-N 3.1Å; D654-V659 HydrophobicContact CB-CG2 4.07Å; D654-R1132 VanDerWaalsContact CG-NH1 3.29Å; D654-R1132 IonicContact OD1-CZ 3.34Å; D654-R1132 IonicContact OD1-NH1 2.78Å; D654-R1132 PolarHBondContact OD1-NH1 2.82Å; D654-R1132 IonicContact OD1-NH2 2.75Å; D654-R1132 PolarHBondContact OD1-NH2 2.89Å; D654-R1132 IonicContact OD2-CZ 3.81Å; D654-R1132 VanDerWaalsContact OD2-CZ 3.22Å; D654-R1132 IonicContact OD2-NH1 3.58Å; D654-R1132 PolarHBondContact OD2-NH1 3.07Å; D654-R1132 VanDerWaalsContact OD2-NH1 3.11Å; D654-R1132 IonicContact OD2-NH2 3.53Å; D654-R1132 PolarHBondContact OD2-NH2 3.49Å
655	S	94	Very high	92	Very high	38 Å²	38	42.3 Å²	42.3	27%	0.266	22%	0.215	S	C	.	.			trans	-96.6	131.4	166.9	179.5	0	0	0	0	111.4	D657 E658 V659	S655-D657 VanDerWaalsContact C-N 3.25Å; S655-D657 PolarHBondContact O-N 2.71Å; S655-E658 PolarHBondContact O-N 2.64Å; S655-V659 WeakPolarHBondContact O-CG2 3.25Å; S655-V659 PolarHBondContact O-N 3.34Å; S655-V659 VanDerWaalsContact O-N 3.08Å
656	P	93.2	Very high	91.8	Very high	20 Å²	20	45.8 Å²	45.8	13%	0.13	23%	0.231	C	C	.	.	H	α-helix	trans	-53.8	-39.2	174.3	-27.8	36.6	0	0	0	113.7	F649 V659 V660 T678 I681 K682	F649-P656 HydrophobicContact CE2-CG 4.38Å; F649-P656 HydrophobicContact CZ-CG 4.1Å; P656-V659 PolarHBondContact O-N 3.39Å; P656-V660 WeakPolarHBondContact O-CG2 3.49Å; P656-V660 PolarHBondContact O-N 3.33Å; P656-T678 HydrophobicContact CB-CG2 4.17Å; P656-I681 HydrophobicContact CB-CB 4.42Å; P656-I681 HydrophobicContact CB-CG2 4.02Å; P656-I681 HydrophobicContact CG-CG2 4.45Å; P656-K682 HydrophobicContact CB-CB 4.18Å; P656-K682 HydrophobicContact CG-CB 3.98Å; P656-K682 HydrophobicContact CG-CG 4.46Å
657	D	93.1	Very high	91.3	Very high	101 Å²	101	50.6 Å²	50.6	54%	0.54	25%	0.254	S	S	.	.	H	α-helix	trans	-64.7	-42.7	179.3	-63.6	-105.5	0	0	0	111.7	S655 V660 Q661 T678	S655-D657 VanDerWaalsContact C-N 3.25Å; S655-D657 PolarHBondContact O-N 2.71Å; D657-V660 PolarHBondContact O-N 3.05Å; D657-Q661 WeakPolarHBondContact O-CB 3.46Å; D657-Q661 PolarHBondContact O-N 3.48Å; D657-T678 HydrophobicContact CB-CG2 4.24Å; D657-T678 VanDerWaalsContact CG-CG2 3.49Å; D657-T678 WeakPolarHBondContact OD1-CG2 3.33Å
658	E	93.6	Very high	90.6	Very high	119 Å²	119	52.3 Å²	52.3	56%	0.556	26%	0.261	S	S	*	.	H	α-helix	trans	-68.5	-40	178.6	-67.3	178.1	-168	0	0	112.1	S655 Q661 Q662	S655-E658 PolarHBondContact O-N 2.64Å; E658-Q661 PolarHBondContact O-N 3.22Å; E658-Q662 WeakPolarHBondContact O-CG 3.23Å; E658-Q662 PolarHBondContact O-N 2.96Å
659	V	93.4	Very high	90.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-40.5	177.7	171.9	0	0	0	0	111	F647 F649 D654 S655 P656 Q662 M663 R1132	F647-V659 HydrophobicContact CD2-CG1 3.88Å; F647-V659 HydrophobicContact CE2-CG1 3.98Å; F649-V659 HydrophobicContact CD2-CB 4.37Å; F649-V659 HydrophobicContact CD2-CG1 4.26Å; F649-V659 HydrophobicContact CD2-CG2 3.91Å; F649-V659 HydrophobicContact CE2-CB 4.24Å; F649-V659 HydrophobicContact CE2-CG2 3.79Å; D654-V659 HydrophobicContact CB-CG2 4.07Å; S655-V659 WeakPolarHBondContact O-CG2 3.25Å; S655-V659 PolarHBondContact O-N 3.34Å; S655-V659 VanDerWaalsContact O-N 3.08Å; P656-V659 PolarHBondContact O-N 3.39Å; V659-Q662 PolarHBondContact O-N 2.89Å; V659-M663 HydrophobicContact CG1-CE 3.86Å; V659-M663 VanDerWaalsContact O-CG 3.32Å; V659-M663 WeakPolarHBondContact O-CG 3.33Å; V659-M663 PolarHBondContact O-N 2.86Å; V659-R1132 VanDerWaalsContact CG2-NH2 3.27Å
660	V	92.3	Very high	89.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-69.4	-36.9	173.4	177.1	0	0	0	0	111.6	P656 D657 Q662 M663 I664 T674 I677 I681	P656-V660 WeakPolarHBondContact O-CG2 3.49Å; P656-V660 PolarHBondContact O-N 3.33Å; D657-V660 PolarHBondContact O-N 3.05Å; V660-Q662 VanDerWaalsContact C-N 3.29Å; V660-Q662 PolarHBondContact O-N 3.05Å; V660-M663 HydrophobicContact CG2-SD 4.27Å; V660-M663 WeakPolarHBondContact O-CB 3.5Å; V660-M663 PolarHBondContact O-N 2.91Å; V660-M663 VanDerWaalsContact O-N 3.09Å; V660-I664 HydrophobicContact CG1-CD1 3.96Å; V660-I664 HydrophobicContact CG1-CG1 4.46Å; V660-I664 WeakPolarHBondContact O-CG1 3.47Å; V660-I664 PolarHBondContact O-N 3.45Å; V660-T674 HydrophobicContact CG1-CG2 3.97Å; V660-I677 HydrophobicContact CG2-CG2 4Å; V660-I681 HydrophobicContact CG2-CD1 3.67Å
661	Q	91.9	Very high	88.8	Confident	112 Å²	112	56.4 Å²	56.4	52%	0.523	28%	0.282	S	S	.	.	H	α-helix	trans	-62.3	-36.7	176.5	-170.2	56.1	80	0	0	112.2	D657 E658 I664 E665	D657-Q661 WeakPolarHBondContact O-CB 3.46Å; D657-Q661 PolarHBondContact O-N 3.48Å; E658-Q661 PolarHBondContact O-N 3.22Å; Q661-I664 PolarHBondContact O-N 3.07Å; Q661-E665 PolarHBondContact O-N 3.25Å
662	Q	90.3	Very high	88.4	Confident	60 Å²	60	62.9 Å²	62.9	28%	0.28	31%	0.312	S	S	.	.	H	α-helix	trans	-66.2	-37.8	171.6	-69.9	170.9	41.8	0	0	112.6	E658 V659 V660 I664 E665 Q666 F1133	E658-Q662 WeakPolarHBondContact O-CG 3.23Å; E658-Q662 PolarHBondContact O-N 2.96Å; V659-Q662 PolarHBondContact O-N 2.89Å; V660-Q662 VanDerWaalsContact C-N 3.29Å; V660-Q662 PolarHBondContact O-N 3.05Å; Q662-I664 VanDerWaalsContact C-N 3.3Å; Q662-I664 PolarHBondContact O-N 3.33Å; Q662-E665 PolarHBondContact O-N 3.22Å; Q662-Q666 WeakPolarHBondContact O-CB 3.46Å; Q662-Q666 WeakPolarHBondContact O-CG 3.46Å; Q662-Q666 PolarHBondContact O-N 3.11Å; Q662-Q666 PolarHBondContact O-NE2 2.81Å; Q662-F1133 HydrophobicContact CB-CE2 4.02Å; Q662-F1133 HydrophobicContact CB-CZ 3.91Å
663	M	89	Confident	88.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.9	-33.9	175	-64.8	165.6	173.1	0	0	112.5	L645 F647 V659 V660 Q667 H668 I669 I681 F1133	L645-M663 HydrophobicContact CD2-CE 4.4Å; L645-M663 HydrophobicContact CD2-CG 4.13Å; L645-M663 HydrophobicContact CD2-SD 4.34Å; F647-M663 HydrophobicContact CB-CE 4.24Å; F647-M663 HydrophobicContact CD1-CE 3.37Å; F647-M663 HydrophobicContact CD2-CE 3.48Å; F647-M663 VanDerWaalsContact CD2-CE 3.48Å; F647-M663 HydrophobicContact CE1-CE 3.42Å; F647-M663 VanDerWaalsContact CE1-CE 3.42Å; F647-M663 HydrophobicContact CE2-CE 3.51Å; F647-M663 HydrophobicContact CG-CE 3.42Å; F647-M663 VanDerWaalsContact CG-CE 3.42Å; F647-M663 HydrophobicContact CZ-CE 3.48Å; F647-M663 VanDerWaalsContact CZ-CE 3.48Å; V659-M663 HydrophobicContact CG1-CE 3.86Å; V659-M663 VanDerWaalsContact O-CG 3.32Å; V659-M663 WeakPolarHBondContact O-CG 3.33Å; V659-M663 PolarHBondContact O-N 2.86Å; V660-M663 HydrophobicContact CG2-SD 4.27Å; V660-M663 WeakPolarHBondContact O-CB 3.5Å; V660-M663 PolarHBondContact O-N 2.91Å; V660-M663 VanDerWaalsContact O-N 3.09Å; M663-Q667 PolarHBondContact O-N 3.02Å; M663-H668 PolarHBondContact O-N 3.11Å; M663-I669 HydrophobicContact CB-CB 4.49Å; M663-I669 HydrophobicContact CB-CD1 3.54Å; M663-I669 HydrophobicContact CB-CG1 4.01Å; M663-I669 HydrophobicContact CG-CD1 3.96Å; M663-I669 HydrophobicContact SD-CD1 3.34Å; M663-I669 WeakPolarHBondContact SD-CD1 3.48Å; M663-I681 HydrophobicContact CE-CD1 3.92Å; M663-I681 HydrophobicContact SD-CD1 4.32Å; M663-F1133 HydrophobicContact CE-CD1 4.44Å; M663-F1133 HydrophobicContact CE-CE1 3.76Å; M663-F1133 HydrophobicContact CG-CD1 3.99Å; M663-F1133 HydrophobicContact CG-CE1 3.36Å; M663-F1133 HydrophobicContact CG-CZ 4.07Å; M663-F1133 HydrophobicContact SD-CE1 4.42Å
664	I	87.6	Confident	87.9	Confident	23 Å²	23	57.8 Å²	57.8	12%	0.118	29%	0.289	C	S	.	.	H	α-helix	trans	-72.3	-45.5	175.6	-68	162.1	0	0	0	110.5	V660 Q661 Q662 Q666 Q667 I669 D671 T674	V660-I664 HydrophobicContact CG1-CD1 3.96Å; V660-I664 HydrophobicContact CG1-CG1 4.46Å; V660-I664 WeakPolarHBondContact O-CG1 3.47Å; V660-I664 PolarHBondContact O-N 3.45Å; Q661-I664 PolarHBondContact O-N 3.07Å; Q662-I664 VanDerWaalsContact C-N 3.3Å; Q662-I664 PolarHBondContact O-N 3.33Å; I664-Q666 PolarHBondContact O-N 2.76Å; I664-Q667 WeakPolarHBondContact O-CA 3.46Å; I664-Q667 PolarHBondContact O-N 2.95Å; I664-I669 HydrophobicContact CG1-CB 4.49Å; I664-D671 WeakPolarHBondContact CG2-OD1 3.45Å; I664-T674 HydrophobicContact CD1-CG2 3.72Å; I664-T674 WeakPolarHBondContact CD1-OG1 3.17Å
665	E	88.5	Confident	87.5	Confident	154 Å²	154	66.1 Å²	66.1	72%	0.72	32%	0.318	S	S	*	.	H	α-helix	trans	-58.6	-38	177	-174.2	174.7	-153.7	0	0	111.9	Q661 Q662 Q667	Q661-E665 PolarHBondContact O-N 3.25Å; Q662-E665 PolarHBondContact O-N 3.22Å; E665-Q667 PolarHBondContact O-N 3.23Å
666	Q	85.2	Confident	87.1	Confident	73 Å²	73	68 Å²	68	34%	0.341	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	5.9	174.1	-65.8	167.3	44.6	0	0	113.7	Q662 I664 H668 F1133	Q662-Q666 WeakPolarHBondContact O-CB 3.46Å; Q662-Q666 WeakPolarHBondContact O-CG 3.46Å; Q662-Q666 PolarHBondContact O-N 3.11Å; Q662-Q666 PolarHBondContact O-NE2 2.81Å; I664-Q666 PolarHBondContact O-N 2.76Å; Q666-H668 PolarHBondContact O-N 3.37Å; Q666-H668 VanDerWaalsContact O-N 3.16Å; Q666-F1133 VanDerWaalsContact NE2-CE2 3.28Å
667	Q	77.7	Confident	86.9	Confident	122 Å²	122	67 Å²	67	57%	0.57	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	26.5	-176.9	-57.8	-166.7	4.5	0	0	115	R638 M663 I664 E665 I669	R638-Q667 WeakPolarHBondContact CB-O 3.24Å; R638-Q667 WeakPolarHBondContact CG-O 3.3Å; M663-Q667 PolarHBondContact O-N 3.02Å; I664-Q667 WeakPolarHBondContact O-CA 3.46Å; I664-Q667 PolarHBondContact O-N 2.95Å; E665-Q667 PolarHBondContact O-N 3.23Å; Q667-I669 VanDerWaalsContact C-N 3.33Å
668	H	77.9	Confident	86.8	Confident	38 Å²	38	62.9 Å²	62.9	18%	0.176	30%	0.295	C	S	.	.	S	Bend	trans	-75.9	-23.1	176.1	-69.2	-36.9	0	0	0	112.9	L645 M663 Q666	L645-H668 HydrophobicContact CD1-CB 4.24Å; L645-H668 HydrophobicContact CD2-CB 3.81Å; M663-H668 PolarHBondContact O-N 3.11Å; Q666-H668 PolarHBondContact O-N 3.37Å; Q666-H668 VanDerWaalsContact O-N 3.16Å
669	I	82.8	Confident	86.6	Confident	6 Å²	6	62.5 Å²	62.5	3%	0.031	29%	0.292	C	S	.	.	S	Bend	trans	-136.6	140.9	-171.2	-62	-178.8	0	0	0	110	L626 Y637 L645 M663 I664 Q667 I677	L626-I669 HydrophobicContact CD2-CD1 3.42Å; L626-I669 VanDerWaalsContact CD2-CD1 3.42Å; L626-I669 HydrophobicContact CD2-CG1 3.94Å; Y637-I669 HydrophobicContact CD1-CG1 4.39Å; Y637-I669 HydrophobicContact CE1-CB 4.32Å; Y637-I669 HydrophobicContact CE1-CG1 4.15Å; Y637-I669 HydrophobicContact CE1-CG2 4.1Å; L645-I669 HydrophobicContact CD2-CD1 4.48Å; M663-I669 HydrophobicContact CB-CB 4.49Å; M663-I669 HydrophobicContact CB-CD1 3.54Å; M663-I669 HydrophobicContact CB-CG1 4.01Å; M663-I669 HydrophobicContact CG-CD1 3.96Å; M663-I669 HydrophobicContact SD-CD1 3.34Å; M663-I669 WeakPolarHBondContact SD-CD1 3.48Å; I664-I669 HydrophobicContact CG1-CB 4.49Å; Q667-I669 VanDerWaalsContact C-N 3.33Å; I669-I677 HydrophobicContact CD1-CD1 4.03Å; I669-I677 HydrophobicContact CD1-CG2 4.17Å; I669-I677 HydrophobicContact CG1-CD1 4.5Å; I669-I677 HydrophobicContact CG2-CD1 3.63Å
670	P	81.9	Confident	86.3	Confident	18 Å²	18	63 Å²	63	12%	0.117	30%	0.295	C	S	.	.			trans	-81.9	140.8	172.6	33.1	-34.7	0	0	0	113.3	Q636 Y637 E672 D673	Q636-P670 HydrophobicContact CB-CG 4.44Å; Q636-P670 HydrophobicContact CG-CB 3.87Å; Q636-P670 HydrophobicContact CG-CG 3.86Å; Y637-P670 HydrophobicContact CE1-CG 4.43Å; Y637-P670 HydrophobicContact CE2-CG 4.05Å; P670-E672 PolarHBondContact O-N 3.44Å; P670-D673 PolarHBondContact O-N 3.41Å; P670-D673 VanDerWaalsContact O-N 3.1Å
671	D	82.6	Confident	86.3	Confident	116 Å²	116	63 Å²	63	62%	0.62	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-52	-29.6	-176.1	-51	-5.6	0	0	0	114.6	I664 D673 T674	I664-D671 WeakPolarHBondContact CG2-OD1 3.45Å; D671-D673 VanDerWaalsContact C-N 3.32Å; D671-D673 PolarHBondContact O-N 3.36Å; D671-T674 VanDerWaalsContact C-OG1 3.27Å; D671-T674 WeakPolarHBondContact CA-OG1 3.38Å; D671-T674 VanDerWaalsContact O-CB 3.31Å; D671-T674 WeakPolarHBondContact O-CB 3.32Å; D671-T674 PolarHBondContact O-N 3.43Å; D671-T674 PolarHBondContact O-OG1 3.4Å
672	E	83.9	Confident	86.2	Confident	136 Å²	136	62.8 Å²	62.8	64%	0.636	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-61.8	-37.3	-178.9	-60.9	-178.5	146.7	0	0	112.6	Q636 P670	Q636-E672 PolarHBondContact NE2-OE2 2.86Å; P670-E672 PolarHBondContact O-N 3.44Å
673	D	84.4	Confident	86	Confident	16 Å²	16	62.9 Å²	62.9	9%	0.086	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-92.9	-2.1	-176.3	-85.8	-36.4	0	0	0	113.8	I604 K633 Y637 P670 D671 R675 M676 I677	I604-D673 HydrophobicContact CD1-CB 4.26Å; K633-D673 WeakPolarHBondContact CE-OD2 3.43Å; K633-D673 IonicContact NZ-OD1 2.77Å; K633-D673 PolarHBondContact NZ-OD1 3.12Å; K633-D673 IonicContact NZ-OD2 2.75Å; K633-D673 PolarHBondContact NZ-OD2 2.99Å; Y637-D673 WeakPolarHBondContact OH-CB 3.11Å; Y637-D673 PolarHBondContact OH-OD2 3.06Å; P670-D673 PolarHBondContact O-N 3.41Å; P670-D673 VanDerWaalsContact O-N 3.1Å; D671-D673 VanDerWaalsContact C-N 3.32Å; D671-D673 PolarHBondContact O-N 3.36Å; D673-R675 VanDerWaalsContact C-N 3.35Å; D673-R675 PolarHBondContact O-N 3.29Å; D673-M676 WeakPolarHBondContact O-CA 3.47Å; D673-M676 WeakPolarHBondContact O-CB 3.44Å; D673-M676 PolarHBondContact O-N 2.64Å; D673-I677 HydrophobicContact CB-CD1 4.07Å; D673-I677 PolarHBondContact O-N 3.44Å
674	T	87.7	Confident	86	Confident	32 Å²	32	64.3 Å²	64.3	20%	0.196	30%	0.301	C	S	.	.	H	α-helix	trans	-42.6	-55.5	178.9	-56	0	0	0	0	113	V660 I664 D671 M676 I677 T678	V660-T674 HydrophobicContact CG1-CG2 3.97Å; I664-T674 HydrophobicContact CD1-CG2 3.72Å; I664-T674 WeakPolarHBondContact CD1-OG1 3.17Å; D671-T674 VanDerWaalsContact C-OG1 3.27Å; D671-T674 WeakPolarHBondContact CA-OG1 3.38Å; D671-T674 VanDerWaalsContact O-CB 3.31Å; D671-T674 WeakPolarHBondContact O-CB 3.32Å; D671-T674 PolarHBondContact O-N 3.43Å; D671-T674 PolarHBondContact O-OG1 3.4Å; T674-M676 VanDerWaalsContact C-N 3.28Å; T674-M676 PolarHBondContact O-N 2.66Å; T674-I677 PolarHBondContact O-N 3.07Å; T674-T678 VanDerWaalsContact O-CB 3.32Å; T674-T678 WeakPolarHBondContact O-CB 3.25Å; T674-T678 PolarHBondContact O-N 3.01Å; T674-T678 PolarHBondContact O-OG1 2.71Å
675	R	87.1	Confident	86.2	Confident	205 Å²	205	63.3 Å²	63.3	77%	0.774	30%	0.296	S	S	*	.	H	α-helix	trans	-65.7	-30.5	-177.2	-68.2	-175.2	-62.8	-82.1	-6.6	112.8	D673 K679	D673-R675 VanDerWaalsContact C-N 3.35Å; D673-R675 PolarHBondContact O-N 3.29Å; R675-K679 WeakPolarHBondContact O-CB 3.48Å; R675-K679 PolarHBondContact O-N 2.64Å
676	M	85.6	Confident	86.3	Confident	76 Å²	76	58.5 Å²	58.5	37%	0.374	28%	0.275	S	S	.	.	H	α-helix	trans	-72.2	-47.7	176.2	-172	67.3	78.3	0	0	110.1	I602 D673 T674 K679 L680	I602-M676 HydrophobicContact CG2-CG 4.13Å; I602-M676 HydrophobicContact CG2-SD 4.18Å; D673-M676 WeakPolarHBondContact O-CA 3.47Å; D673-M676 WeakPolarHBondContact O-CB 3.44Å; D673-M676 PolarHBondContact O-N 2.64Å; T674-M676 VanDerWaalsContact C-N 3.28Å; T674-M676 PolarHBondContact O-N 2.66Å; M676-K679 WeakPolarHBondContact O-CB 3.37Å; M676-K679 PolarHBondContact O-N 2.94Å; M676-L680 HydrophobicContact CG-CD1 4.34Å; M676-L680 WeakPolarHBondContact O-CG 3.46Å; M676-L680 PolarHBondContact O-N 2.9Å
677	I	88.6	Confident	86.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-72.3	-38.3	-175	-64.7	170.4	0	0	0	111.4	I604 L626 Y637 V660 I669 D673 T674 K679 L680 I681	I604-I677 HydrophobicContact CD1-CD1 4.38Å; I604-I677 HydrophobicContact CD1-CG1 4.4Å; I604-I677 HydrophobicContact CG2-CD1 4.42Å; I604-I677 HydrophobicContact CG2-CG1 4.21Å; L626-I677 HydrophobicContact CD1-CD1 4.3Å; L626-I677 HydrophobicContact CD1-CG1 4.26Å; L626-I677 HydrophobicContact CD1-CG2 4.02Å; L626-I677 HydrophobicContact CD2-CD1 4.14Å; L626-I677 HydrophobicContact CD2-CG2 4.3Å; Y637-I677 HydrophobicContact CE1-CD1 4.11Å; V660-I677 HydrophobicContact CG2-CG2 4Å; I669-I677 HydrophobicContact CD1-CD1 4.03Å; I669-I677 HydrophobicContact CD1-CG2 4.17Å; I669-I677 HydrophobicContact CG1-CD1 4.5Å; I669-I677 HydrophobicContact CG2-CD1 3.63Å; D673-I677 HydrophobicContact CB-CD1 4.07Å; D673-I677 PolarHBondContact O-N 3.44Å; T674-I677 PolarHBondContact O-N 3.07Å; I677-K679 VanDerWaalsContact C-N 3.28Å; I677-K679 PolarHBondContact O-N 3.01Å; I677-L680 PolarHBondContact O-N 2.91Å; I677-L680 VanDerWaalsContact O-N 3.16Å; I677-I681 HydrophobicContact CG2-CD1 4.06Å; I677-I681 HydrophobicContact CG2-CG1 4.42Å; I677-I681 WeakPolarHBondContact O-CG1 3.45Å; I677-I681 PolarHBondContact O-N 2.67Å
678	T	91.5	Very high	86.9	Confident	14 Å²	14	49.9 Å²	49.9	9%	0.086	24%	0.237	C	C	.	.	H	α-helix	trans	-57	-44.9	171	-54.2	0	0	0	0	110.7	P656 D657 T674 I681 K682	P656-T678 HydrophobicContact CB-CG2 4.17Å; D657-T678 HydrophobicContact CB-CG2 4.24Å; D657-T678 VanDerWaalsContact CG-CG2 3.49Å; D657-T678 WeakPolarHBondContact OD1-CG2 3.33Å; T674-T678 VanDerWaalsContact O-CB 3.32Å; T674-T678 WeakPolarHBondContact O-CB 3.25Å; T674-T678 PolarHBondContact O-N 3.01Å; T674-T678 PolarHBondContact O-OG1 2.71Å; T678-I681 PolarHBondContact O-N 2.87Å; T678-K682 WeakPolarHBondContact O-CB 3.22Å; T678-K682 PolarHBondContact O-N 3.44Å
679	K	88	Confident	87.5	Confident	111 Å²	111	52.2 Å²	52.2	48%	0.483	24%	0.244	S	C	.	.	H	α-helix	trans	-63	-44.8	174.9	-170	-170.5	-177.2	-53.3	0	111.9	R675 M676 I677 I681 K682 D683	R675-K679 WeakPolarHBondContact O-CB 3.48Å; R675-K679 PolarHBondContact O-N 2.64Å; M676-K679 WeakPolarHBondContact O-CB 3.37Å; M676-K679 PolarHBondContact O-N 2.94Å; I677-K679 VanDerWaalsContact C-N 3.28Å; I677-K679 PolarHBondContact O-N 3.01Å; K679-I681 PolarHBondContact O-N 3.11Å; K679-K682 PolarHBondContact O-N 2.75Å; K679-D683 IonicContact NZ-OD1 3.71Å; K679-D683 PolarHBondContact NZ-OD1 2.98Å; K679-D683 IonicContact NZ-OD2 3.22Å; K679-D683 PolarHBondContact NZ-OD2 3.4Å; K679-D683 WeakPolarHBondContact O-CB 3.34Å; K679-D683 PolarHBondContact O-N 3.24Å
680	L	88	Confident	87.7	Confident	11 Å²	11	56.8 Å²	56.8	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-42.3	178.8	-69.6	170.7	0	0	0	112.5	I602 I604 V606 M676 I677 K684	I602-L680 HydrophobicContact CD1-CD2 4.25Å; I602-L680 HydrophobicContact CG2-CD1 3.79Å; I602-L680 HydrophobicContact CG2-CD2 4.12Å; I602-L680 HydrophobicContact CG2-CG 4.42Å; I604-L680 HydrophobicContact CB-CD1 4.3Å; I604-L680 HydrophobicContact CG2-CD1 4.08Å; V606-L680 HydrophobicContact CB-CB 4.32Å; V606-L680 HydrophobicContact CG2-CB 3.67Å; V606-L680 HydrophobicContact CG2-CD1 4.4Å; M676-L680 HydrophobicContact CG-CD1 4.34Å; M676-L680 WeakPolarHBondContact O-CG 3.46Å; M676-L680 PolarHBondContact O-N 2.9Å; I677-L680 PolarHBondContact O-N 2.91Å; I677-L680 VanDerWaalsContact O-N 3.16Å; L680-K684 WeakPolarHBondContact O-CB 3.45Å; L680-K684 WeakPolarHBondContact O-CG 3.43Å; L680-K684 PolarHBondContact O-N 2.87Å; L680-K684 VanDerWaalsContact O-N 3.08Å
681	I	91.2	Very high	87.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-46.8	175.7	-67.6	176	0	0	0	109.7	V606 M624 F647 F649 P656 V660 M663 I677 T678 K679 K684 V685	V606-I681 HydrophobicContact CG1-CG1 4.31Å; V606-I681 HydrophobicContact CG2-CG1 4.03Å; M624-I681 HydrophobicContact CE-CG2 4.37Å; M624-I681 HydrophobicContact SD-CG2 4.11Å; F647-I681 HydrophobicContact CE2-CD1 3.86Å; F647-I681 HydrophobicContact CE2-CG1 4.43Å; F647-I681 HydrophobicContact CZ-CD1 3.59Å; F647-I681 HydrophobicContact CZ-CG1 3.96Å; F649-I681 HydrophobicContact CD2-CG2 4.02Å; F649-I681 HydrophobicContact CE2-CG2 3.84Å; P656-I681 HydrophobicContact CB-CB 4.42Å; P656-I681 HydrophobicContact CB-CG2 4.02Å; P656-I681 HydrophobicContact CG-CG2 4.45Å; V660-I681 HydrophobicContact CG2-CD1 3.67Å; M663-I681 HydrophobicContact CE-CD1 3.92Å; M663-I681 HydrophobicContact SD-CD1 4.32Å; I677-I681 HydrophobicContact CG2-CD1 4.06Å; I677-I681 HydrophobicContact CG2-CG1 4.42Å; I677-I681 WeakPolarHBondContact O-CG1 3.45Å; I677-I681 PolarHBondContact O-N 2.67Å; T678-I681 PolarHBondContact O-N 2.87Å; K679-I681 PolarHBondContact O-N 3.11Å; I681-K684 PolarHBondContact O-N 2.97Å; I681-V685 HydrophobicContact CG2-CG2 4.34Å; I681-V685 WeakPolarHBondContact O-CG2 3.48Å; I681-V685 PolarHBondContact O-N 3.08Å
682	K	91.1	Very high	88.3	Confident	107 Å²	107	52.9 Å²	52.9	47%	0.465	24%	0.237	S	C	.	.	H	α-helix	trans	-59.8	-51.7	176.6	-178	171.7	179.3	171.6	0	112.6	P656 T678 K679 K684 V685 D686	P656-K682 HydrophobicContact CB-CB 4.18Å; P656-K682 HydrophobicContact CG-CB 3.98Å; P656-K682 HydrophobicContact CG-CG 4.46Å; T678-K682 WeakPolarHBondContact O-CB 3.22Å; T678-K682 PolarHBondContact O-N 3.44Å; K679-K682 PolarHBondContact O-N 2.75Å; K682-K684 PolarHBondContact O-N 3.48Å; K682-V685 PolarHBondContact O-N 2.65Å; K682-V685 VanDerWaalsContact O-N 3.15Å; K682-D686 WeakPolarHBondContact CE-OD2 3.46Å; K682-D686 WeakPolarHBondContact CG-OD2 3.21Å; K682-D686 WeakPolarHBondContact O-CB 3.31Å; K682-D686 PolarHBondContact O-N 3.07Å
683	D	86.1	Confident	88.6	Confident	63 Å²	63	50.1 Å²	50.1	34%	0.337	23%	0.226	S	C	.	.	H	α-helix	trans	-55.6	-37.1	178.6	-67.9	-21.2	0	0	0	110.8	K679 A687	K679-D683 IonicContact NZ-OD1 3.71Å; K679-D683 PolarHBondContact NZ-OD1 2.98Å; K679-D683 IonicContact NZ-OD2 3.22Å; K679-D683 PolarHBondContact NZ-OD2 3.4Å; K679-D683 WeakPolarHBondContact O-CB 3.34Å; K679-D683 PolarHBondContact O-N 3.24Å; D683-A687 WeakPolarHBondContact O-CB 3.24Å; D683-A687 PolarHBondContact O-N 3.45Å
684	K	88.9	Confident	88.7	Confident	29 Å²	29	50.4 Å²	50.4	13%	0.126	23%	0.227	C	C	.	.	H	α-helix	trans	-71.5	-43.3	175.6	-79.4	-53.9	-158.2	-174.7	0	114.2	D594 V606 M624 L680 I681 K682 A687 F688	D594-K684 VanDerWaalsContact CG-CE 3.44Å; D594-K684 WeakPolarHBondContact OD1-CE 3.48Å; D594-K684 IonicContact OD1-NZ 2.84Å; D594-K684 PolarHBondContact OD1-NZ 3.23Å; D594-K684 WeakPolarHBondContact OD2-CE 3.19Å; D594-K684 IonicContact OD2-NZ 2.86Å; D594-K684 PolarHBondContact OD2-NZ 2.88Å; V606-K684 HydrophobicContact CB-CG 4.15Å; V606-K684 HydrophobicContact CG1-CG 4.1Å; V606-K684 WeakPolarHBondContact O-CE 3.41Å; M624-K684 HydrophobicContact CE-CB 3.64Å; M624-K684 HydrophobicContact CE-CG 4.48Å; L680-K684 WeakPolarHBondContact O-CB 3.45Å; L680-K684 WeakPolarHBondContact O-CG 3.43Å; L680-K684 PolarHBondContact O-N 2.87Å; L680-K684 VanDerWaalsContact O-N 3.08Å; I681-K684 PolarHBondContact O-N 2.97Å; K682-K684 PolarHBondContact O-N 3.48Å; K684-A687 PolarHBondContact O-N 2.93Å; K684-F688 PolarHBondContact O-N 3.2Å
685	V	92.2	Very high	88.7	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-68.2	-43.8	177.4	171.9	0	0	0	0	110.4	M624 F649 I681 K682 A687 F688 R689	M624-V685 HydrophobicContact CE-CG2 4.04Å; M624-V685 HydrophobicContact SD-CG2 4.33Å; F649-V685 HydrophobicContact CD1-CG2 3.74Å; F649-V685 HydrophobicContact CE1-CB 4.41Å; F649-V685 HydrophobicContact CE1-CG1 3.95Å; F649-V685 HydrophobicContact CE1-CG2 3.6Å; F649-V685 HydrophobicContact CE2-CG2 4.42Å; F649-V685 HydrophobicContact CG-CG2 4.24Å; F649-V685 HydrophobicContact CZ-CG2 3.98Å; I681-V685 HydrophobicContact CG2-CG2 4.34Å; I681-V685 WeakPolarHBondContact O-CG2 3.48Å; I681-V685 PolarHBondContact O-N 3.08Å; K682-V685 PolarHBondContact O-N 2.65Å; K682-V685 VanDerWaalsContact O-N 3.15Å; V685-A687 PolarHBondContact O-N 3.22Å; V685-F688 PolarHBondContact O-N 2.88Å; V685-R689 HydrophobicContact CG1-CG 4.39Å; V685-R689 WeakPolarHBondContact O-CB 3.38Å; V685-R689 WeakPolarHBondContact O-CG 3.27Å; V685-R689 PolarHBondContact O-N 2.75Å
686	D	90.2	Very high	88.8	Confident	54 Å²	54	46.9 Å²	46.9	29%	0.289	22%	0.215	S	C	.	.	H	α-helix	trans	-70.3	-17.3	176.1	-70.5	-19.9	0	0	0	112.5	K682 R689 R690	K682-D686 WeakPolarHBondContact CE-OD2 3.46Å; K682-D686 WeakPolarHBondContact CG-OD2 3.21Å; K682-D686 WeakPolarHBondContact O-CB 3.31Å; K682-D686 PolarHBondContact O-N 3.07Å; D686-R689 IonicContact OD1-NH1 2.81Å; D686-R689 PolarHBondContact OD1-NH1 3.34Å; D686-R689 VanDerWaalsContact OD1-NH1 3.11Å; D686-R690 WeakPolarHBondContact O-CG 3.45Å; D686-R690 PolarHBondContact O-NE 3.47Å
687	A	84.5	Confident	89	Confident	13 Å²	13	48.3 Å²	48.3	11%	0.107	22%	0.224	C	C	.	.	H	α-helix	trans	-76.5	-55.2	163.6	0	0	0	0	0	111.7	D683 K684 V685 R689 R690 D691	D683-A687 WeakPolarHBondContact O-CB 3.24Å; D683-A687 PolarHBondContact O-N 3.45Å; K684-A687 PolarHBondContact O-N 2.93Å; V685-A687 PolarHBondContact O-N 3.22Å; A687-R689 VanDerWaalsContact C-N 3.31Å; A687-R689 PolarHBondContact O-N 3.11Å; A687-R690 PolarHBondContact O-N 3.45Å; A687-R690 VanDerWaalsContact O-N 3.1Å; A687-D691 PolarHBondContact O-N 2.84Å; A687-D691 VanDerWaalsContact O-OD2 3.07Å
688	F	90.4	Very high	88.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.4	-40.3	-177.8	-170.1	-82.7	0	0	0	112.8	I608 R611 D614 L615 I622 I651 K684 V685 D691 R692	I608-F688 HydrophobicContact CD1-CB 3.88Å; I608-F688 HydrophobicContact CD1-CD2 3.64Å; I608-F688 HydrophobicContact CD1-CG 4.06Å; R611-F688 HydrophobicContact CG-CD2 4.45Å; R611-F688 HydrophobicContact CG-CE2 4.39Å; D614-F688 HydrophobicContact CB-CE2 4.04Å; D614-F688 HydrophobicContact CB-CZ 3.69Å; L615-F688 HydrophobicContact CB-CE2 4.15Å; L615-F688 HydrophobicContact CB-CZ 4.17Å; L615-F688 HydrophobicContact CD1-CD1 4.29Å; L615-F688 HydrophobicContact CD1-CD2 3.97Å; L615-F688 HydrophobicContact CD1-CE1 3.99Å; L615-F688 HydrophobicContact CD1-CE2 3.64Å; L615-F688 HydrophobicContact CD1-CG 4.29Å; L615-F688 HydrophobicContact CD1-CZ 3.65Å; I622-F688 HydrophobicContact CD1-CG 4.4Å; I622-F688 HydrophobicContact CG2-CD1 4.46Å; I622-F688 HydrophobicContact CG2-CE1 3.89Å; I622-F688 HydrophobicContact CG2-CE2 4.29Å; I622-F688 HydrophobicContact CG2-CZ 3.79Å; I651-F688 HydrophobicContact CD1-CD1 3.4Å; I651-F688 VanDerWaalsContact CD1-CD1 3.4Å; I651-F688 HydrophobicContact CD1-CE1 3.4Å; I651-F688 HydrophobicContact CG1-CD1 4.46Å; K684-F688 PolarHBondContact O-N 3.2Å; V685-F688 PolarHBondContact O-N 2.88Å; F688-D691 PolarHBondContact O-N 2.83Å; F688-R692 WeakPolarHBondContact O-CB 3.41Å; F688-R692 PolarHBondContact O-N 3.38Å
689	R	90.8	Very high	88.8	Confident	88 Å²	88	54.1 Å²	54.1	33%	0.332	25%	0.252	S	S	.	.	H	α-helix	trans	-53.4	-54.5	171.7	-76.7	172.1	172.4	167.5	-8.6	111.7	I651 V685 D686 A687 D691 R692 D693	I651-R689 HydrophobicContact CG2-CG 3.54Å; I651-R689 PolarHBondContact O-NE 2.75Å; I651-R689 PolarHBondContact O-NH2 2.78Å; V685-R689 HydrophobicContact CG1-CG 4.39Å; V685-R689 WeakPolarHBondContact O-CB 3.38Å; V685-R689 WeakPolarHBondContact O-CG 3.27Å; V685-R689 PolarHBondContact O-N 2.75Å; D686-R689 IonicContact OD1-NH1 2.81Å; D686-R689 PolarHBondContact OD1-NH1 3.34Å; D686-R689 VanDerWaalsContact OD1-NH1 3.11Å; A687-R689 VanDerWaalsContact C-N 3.31Å; A687-R689 PolarHBondContact O-N 3.11Å; R689-D691 VanDerWaalsContact C-N 3.3Å; R689-D691 PolarHBondContact O-N 3.03Å; R689-R692 WeakPolarHBondContact O-CB 3.45Å; R689-R692 PolarHBondContact O-N 3.32Å; R689-R692 VanDerWaalsContact O-N 3.07Å; R689-D693 PolarHBondContact O-N 2.97Å
690	R	87.7	Confident	88.9	Confident	102 Å²	102	54.8 Å²	54.8	39%	0.385	25%	0.254	S	S	.	.	H	α-helix	trans	-60.4	-37.5	178.8	-72.3	180	-70.4	126.5	-4.7	113.1	D686 A687 H694	D686-R690 WeakPolarHBondContact O-CG 3.45Å; D686-R690 PolarHBondContact O-NE 3.47Å; A687-R690 PolarHBondContact O-N 3.45Å; A687-R690 VanDerWaalsContact O-N 3.1Å; R690-H694 WeakPolarHBondContact O-CB 3.46Å; R690-H694 PolarHBondContact O-N 2.71Å
691	D	86	Confident	88.8	Confident	18 Å²	18	59.6 Å²	59.6	10%	0.096	27%	0.272	C	S	.	.	H	α-helix	trans	-71.2	-35.1	177.2	-58.2	-47.6	0	0	0	111	R575 R611 L615 A687 F688 R689 R695	R575-D691 IonicContact NH1-OD1 2.69Å; R575-D691 PolarHBondContact NH1-OD1 3.33Å; R611-D691 IonicContact CZ-OD2 2.62Å; R611-D691 IonicContact NH1-OD2 2.71Å; R611-D691 PolarHBondContact NH1-OD2 2.94Å; R611-D691 IonicContact NH2-OD2 3.8Å; R611-D691 PolarHBondContact NH2-OD2 2.82Å; L615-D691 HydrophobicContact CD1-CB 3.85Å; L615-D691 HydrophobicContact CD2-CB 4.03Å; A687-D691 PolarHBondContact O-N 2.84Å; A687-D691 VanDerWaalsContact O-OD2 3.07Å; F688-D691 PolarHBondContact O-N 2.83Å; R689-D691 VanDerWaalsContact C-N 3.3Å; R689-D691 PolarHBondContact O-N 3.03Å; D691-R695 WeakPolarHBondContact O-CB 3.39Å; D691-R695 PolarHBondContact O-N 2.81Å
692	R	90.2	Very high	88.6	Confident	34 Å²	34	62.4 Å²	62.4	13%	0.128	30%	0.295	C	S	.	.	H	α-helix	trans	-66.5	-45.6	174	-170.5	-174.6	77.5	161.8	0.8	111.1	L615 L618 E652 F688 R689 H694 R695 L696	L615-R692 HydrophobicContact CD1-CB 4.18Å; L618-R692 HydrophobicContact CD2-CG 3.72Å; E652-R692 IonicContact OE1-CZ 3.24Å; E652-R692 IonicContact OE1-NH1 2.68Å; E652-R692 PolarHBondContact OE1-NH1 2.86Å; E652-R692 IonicContact OE1-NH2 3.2Å; E652-R692 PolarHBondContact OE1-NH2 3.22Å; F688-R692 WeakPolarHBondContact O-CB 3.41Å; F688-R692 PolarHBondContact O-N 3.38Å; R689-R692 WeakPolarHBondContact O-CB 3.45Å; R689-R692 PolarHBondContact O-N 3.32Å; R689-R692 VanDerWaalsContact O-N 3.07Å; R692-H694 VanDerWaalsContact C-N 3.34Å; R692-H694 PolarHBondContact O-N 3.36Å; R692-R695 WeakPolarHBondContact O-CB 3.46Å; R692-R695 PolarHBondContact O-N 2.82Å; R692-R695 VanDerWaalsContact O-N 3.08Å; R692-L696 HydrophobicContact CG-CD1 4.42Å; R692-L696 PolarHBondContact O-N 2.98Å
693	D	90.5	Very high	88.7	Confident	77 Å²	77	64.1 Å²	64.1	41%	0.412	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-41.1	177.9	-58.9	-23.7	0	0	0	110.9	R689 L696 L697	R689-D693 PolarHBondContact O-N 2.97Å; D693-L696 PolarHBondContact O-N 3.41Å; D693-L697 WeakPolarHBondContact O-CB 3.07Å; D693-L697 PolarHBondContact O-N 3.19Å
694	H	85.8	Confident	88.9	Confident	23 Å²	23	65.6 Å²	65.6	11%	0.106	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-40.2	171.5	-173	-70.9	0	0	0	111.8	R578 E583 R690 R692 L696 L697 E698	R578-H694 PolarHBondContact NE-NE2 2.86Å; R578-H694 PolarHBondContact NH1-CD2 3.36Å; R578-H694 PolarHBondContact NH1-NE2 3.43Å; R578-H694 VanDerWaalsContact NH1-NE2 3.16Å; R578-H694 PolarHBondContact NH2-CE1 3.13Å; R578-H694 VanDerWaalsContact NH2-CE1 3.3Å; R578-H694 PolarHBondContact NH2-ND1 3.13Å; E583-H694 IonicContact OE1-NE2 2.82Å; R690-H694 WeakPolarHBondContact O-CB 3.46Å; R690-H694 PolarHBondContact O-N 2.71Å; R692-H694 VanDerWaalsContact C-N 3.34Å; R692-H694 PolarHBondContact O-N 3.36Å; H694-L696 VanDerWaalsContact C-N 3.35Å; H694-L697 PolarHBondContact O-N 2.8Å; H694-E698 IonicContact CE1-OE2 3.11Å; H694-E698 PolarHBondContact CE1-OE2 2.78Å; H694-E698 IonicContact ND1-OE2 3.76Å; H694-E698 WeakPolarHBondContact O-CB 3.32Å; H694-E698 PolarHBondContact O-N 3.16Å
695	R	88.1	Confident	88.8	Confident	84 Å²	84	67.4 Å²	67.4	32%	0.317	32%	0.316	S	S	.	.	H	α-helix	trans	-64.3	-40.2	178.4	-172.4	53.3	165.9	156.7	-0.9	111.6	L615 N616 L618 D691 R692 E698 I699	L615-R695 WeakPolarHBondContact O-CG 3.48Å; N616-R695 PolarHBondContact OD1-NE 3.28Å; N616-R695 PolarHBondContact OD1-NH2 3.45Å; L618-R695 HydrophobicContact CD2-CB 4.39Å; L618-R695 HydrophobicContact CD2-CG 4.23Å; D691-R695 WeakPolarHBondContact O-CB 3.39Å; D691-R695 PolarHBondContact O-N 2.81Å; R692-R695 WeakPolarHBondContact O-CB 3.46Å; R692-R695 PolarHBondContact O-N 2.82Å; R692-R695 VanDerWaalsContact O-N 3.08Å; R695-E698 PolarHBondContact O-N 2.98Å; R695-I699 HydrophobicContact CG-CD1 4Å; R695-I699 WeakPolarHBondContact O-CB 3.31Å; R695-I699 WeakPolarHBondContact O-CD1 3.38Å; R695-I699 VanDerWaalsContact O-CG1 3.24Å; R695-I699 WeakPolarHBondContact O-CG1 3.32Å; R695-I699 PolarHBondContact O-N 3.43Å
696	L	90.2	Very high	88.7	Confident	78 Å²	78	72.5 Å²	72.5	41%	0.408	34%	0.34	S	S	.	.	H	α-helix	trans	-60.3	-47.8	171.1	-80.5	160	0	0	0	112.1	L618 R692 D693 H694 E698 I699 K700	L618-L696 HydrophobicContact CD1-CD2 3.72Å; L618-L696 HydrophobicContact CD1-CG 4.18Å; L618-L696 HydrophobicContact CD2-CG 4.11Å; R692-L696 HydrophobicContact CG-CD1 4.42Å; R692-L696 PolarHBondContact O-N 2.98Å; D693-L696 PolarHBondContact O-N 3.41Å; H694-L696 VanDerWaalsContact C-N 3.35Å; L696-E698 VanDerWaalsContact C-N 3.34Å; L696-E698 PolarHBondContact O-N 3.01Å; L696-I699 PolarHBondContact O-N 2.79Å; L696-K700 WeakPolarHBondContact O-CB 3.48Å; L696-K700 PolarHBondContact O-N 3.2Å
697	L	89.1	Confident	88.8	Confident	106 Å²	106	75.7 Å²	75.7	56%	0.555	35%	0.353	S	S	*	.	H	α-helix	trans	-59.6	-41.2	175.5	-89.5	154.2	0	0	0	112.7	D693 H694 K700 R701	D693-L697 WeakPolarHBondContact O-CB 3.07Å; D693-L697 PolarHBondContact O-N 3.19Å; H694-L697 PolarHBondContact O-N 2.8Å; L697-K700 PolarHBondContact O-N 3.2Å; L697-R701 WeakPolarHBondContact O-CB 3.43Å; L697-R701 PolarHBondContact O-N 2.92Å
698	E	85.6	Confident	89.1	Confident	82 Å²	82	80.4 Å²	80.4	38%	0.383	37%	0.368	S	S	.	.	H	α-helix	trans	-74.3	-36.3	179.5	-169.9	155.7	-145.7	0	0	112.4	H694 R695 L696 R701 A702	H694-E698 IonicContact CE1-OE2 3.11Å; H694-E698 PolarHBondContact CE1-OE2 2.78Å; H694-E698 IonicContact ND1-OE2 3.76Å; H694-E698 WeakPolarHBondContact O-CB 3.32Å; H694-E698 PolarHBondContact O-N 3.16Å; R695-E698 PolarHBondContact O-N 2.98Å; L696-E698 VanDerWaalsContact C-N 3.34Å; L696-E698 PolarHBondContact O-N 3.01Å; E698-R701 PolarHBondContact O-N 3.47Å; E698-A702 VanDerWaalsContact O-CB 3.27Å; E698-A702 WeakPolarHBondContact O-CB 3.39Å; E698-A702 PolarHBondContact O-N 2.92Å
699	I	89.5	Confident	89.1	Confident	55 Å²	55	85 Å²	85	28%	0.282	39%	0.392	S	S	.	.	H	α-helix	trans	-64.1	-42.7	170.8	-71.3	165.2	0	0	0	110.7	L618 R695 L696 A702 K703	L618-I699 HydrophobicContact CD1-CD1 4.48Å; R695-I699 HydrophobicContact CG-CD1 4Å; R695-I699 WeakPolarHBondContact O-CB 3.31Å; R695-I699 WeakPolarHBondContact O-CD1 3.38Å; R695-I699 VanDerWaalsContact O-CG1 3.24Å; R695-I699 WeakPolarHBondContact O-CG1 3.32Å; R695-I699 PolarHBondContact O-N 3.43Å; L696-I699 PolarHBondContact O-N 2.79Å; I699-A702 PolarHBondContact O-N 2.93Å; I699-K703 WeakPolarHBondContact O-CG 3.34Å; I699-K703 PolarHBondContact O-N 3.01Å; I699-K703 VanDerWaalsContact O-N 3.14Å
700	K	91.7	Very high	89.2	Confident	124 Å²	124	88 Å²	88	54%	0.539	40%	0.403	S	S	.	.	H	α-helix	trans	-60.4	-51.2	175	174.9	171.9	170.6	172.5	0	111	L696 L697 A702 K703 E704	L696-K700 WeakPolarHBondContact O-CB 3.48Å; L696-K700 PolarHBondContact O-N 3.2Å; L697-K700 PolarHBondContact O-N 3.2Å; K700-A702 VanDerWaalsContact C-N 3.31Å; K700-A702 PolarHBondContact O-N 3.23Å; K700-K703 WeakPolarHBondContact O-CB 3.27Å; K700-K703 PolarHBondContact O-N 3.49Å; K700-K703 VanDerWaalsContact O-N 3.14Å; K700-E704 WeakPolarHBondContact CE-OE1 3.22Å; K700-E704 HydrophobicContact CG-CG 4.49Å; K700-E704 IonicContact NZ-OE1 2.64Å; K700-E704 WeakPolarHBondContact O-CG 3.29Å; K700-E704 PolarHBondContact O-N 3.42Å
701	R	85.2	Confident	89.4	Confident	112 Å²	112	88.2 Å²	88.2	42%	0.423	41%	0.408	S	S	.	.	H	α-helix	trans	-64.1	-34.1	179.5	-171.5	177.1	176.6	-124.7	-13	112.9	R580 L697 E698 K703 E704 E705	R580-R701 VanDerWaalsContact NH2-CD 3.32Å; L697-R701 WeakPolarHBondContact O-CB 3.43Å; L697-R701 PolarHBondContact O-N 2.92Å; E698-R701 PolarHBondContact O-N 3.47Å; R701-K703 VanDerWaalsContact C-N 3.34Å; R701-E704 PolarHBondContact O-N 2.68Å; R701-E705 WeakPolarHBondContact O-CB 3.27Å; R701-E705 PolarHBondContact O-N 3.19Å
702	A	87.8	Confident	89.5	Confident	60 Å²	60	92.7 Å²	92.7	50%	0.496	43%	0.429	S	S	.	.	H	α-helix	trans	-64.2	-39	174.5	0	0	0	0	0	111.9	E698 I699 K700 E706	E698-A702 VanDerWaalsContact O-CB 3.27Å; E698-A702 WeakPolarHBondContact O-CB 3.39Å; E698-A702 PolarHBondContact O-N 2.92Å; I699-A702 PolarHBondContact O-N 2.93Å; K700-A702 VanDerWaalsContact C-N 3.31Å; K700-A702 PolarHBondContact O-N 3.23Å; A702-E706 WeakPolarHBondContact O-CB 3.15Å; A702-E706 PolarHBondContact O-N 2.9Å
703	K	91.7	Very high	89.5	Confident	142 Å²	142	93.8 Å²	93.8	62%	0.617	45%	0.445	S	S	*	.	H	α-helix	trans	-65.7	-46.5	172.3	-69	174.6	179.7	-179.1	0	111.7	I699 K700 R701 E705 E706 E707	I699-K703 WeakPolarHBondContact O-CG 3.34Å; I699-K703 PolarHBondContact O-N 3.01Å; I699-K703 VanDerWaalsContact O-N 3.14Å; K700-K703 WeakPolarHBondContact O-CB 3.27Å; K700-K703 PolarHBondContact O-N 3.49Å; K700-K703 VanDerWaalsContact O-N 3.14Å; R701-K703 VanDerWaalsContact C-N 3.34Å; K703-E705 VanDerWaalsContact C-N 3.32Å; K703-E705 PolarHBondContact O-N 2.69Å; K703-E706 PolarHBondContact O-N 2.75Å; K703-E707 VanDerWaalsContact O-CB 3.25Å; K703-E707 WeakPolarHBondContact O-CB 3.11Å; K703-E707 PolarHBondContact O-N 2.77Å
704	E	91.3	Very high	89.6	Confident	94 Å²	94	96.8 Å²	96.8	44%	0.439	46%	0.457	S	S	.	.	H	α-helix	trans	-60.9	-37.5	177.7	-68.8	169.3	164.7	0	0	112.4	K700 R701 R708	K700-E704 WeakPolarHBondContact CE-OE1 3.22Å; K700-E704 HydrophobicContact CG-CG 4.49Å; K700-E704 IonicContact NZ-OE1 2.64Å; K700-E704 WeakPolarHBondContact O-CG 3.29Å; K700-E704 PolarHBondContact O-N 3.42Å; R701-E704 PolarHBondContact O-N 2.68Å; E704-R708 WeakPolarHBondContact O-CB 3.45Å; E704-R708 PolarHBondContact O-N 3.09Å
705	E	87.2	Confident	89.8	Confident	67 Å²	67	100.7 Å²	100.7	31%	0.313	48%	0.478	S	S	.	.	H	α-helix	trans	-73.4	-38.4	175.6	-169	71.3	-143	0	0	111.9	R701 K703 R708 I709	R701-E705 WeakPolarHBondContact O-CB 3.27Å; R701-E705 PolarHBondContact O-N 3.19Å; K703-E705 VanDerWaalsContact C-N 3.32Å; K703-E705 PolarHBondContact O-N 2.69Å; E705-R708 IonicContact OE1-CZ 3.42Å; E705-R708 VanDerWaalsContact OE1-CZ 3.25Å; E705-R708 IonicContact OE1-NH1 2.78Å; E705-R708 PolarHBondContact OE1-NH1 2.85Å; E705-R708 IonicContact OE1-NH2 3.7Å; E705-R708 PolarHBondContact OE1-NH2 2.98Å; E705-R708 IonicContact OE2-CZ 3.59Å; E705-R708 IonicContact OE2-NH1 3.37Å; E705-R708 PolarHBondContact OE2-NH1 2.87Å; E705-I709 HydrophobicContact CG-CD1 4.1Å; E705-I709 WeakPolarHBondContact O-CB 3.29Å; E705-I709 WeakPolarHBondContact O-CD1 3.07Å; E705-I709 WeakPolarHBondContact O-CG1 3.43Å; E705-I709 PolarHBondContact O-N 2.94Å
706	E	89.8	Confident	90	Very high	109 Å²	109	101.3 Å²	101.3	51%	0.509	48%	0.482	S	S	.	.	H	α-helix	trans	-65	-43	173.8	-164.3	-158.3	131.8	0	0	111.6	A702 K703 I709 R710	A702-E706 WeakPolarHBondContact O-CB 3.15Å; A702-E706 PolarHBondContact O-N 2.9Å; K703-E706 PolarHBondContact O-N 2.75Å; E706-I709 PolarHBondContact O-N 2.6Å; E706-R710 WeakPolarHBondContact O-CB 3.26Å; E706-R710 PolarHBondContact O-N 3.46Å; E706-R710 IonicContact OE1-CZ 3.94Å; E706-R710 IonicContact OE1-NH2 2.71Å; E706-R710 PolarHBondContact OE1-NH2 2.89Å
707	E	91.7	Very high	90.1	Very high	122 Å²	122	102.5 Å²	102.5	57%	0.57	49%	0.486	S	S	*	.	H	α-helix	trans	-59.6	-50.7	175.6	-174.9	162.8	-133.7	0	0	110.5	K703 I709 R710 E711	K703-E707 VanDerWaalsContact O-CB 3.25Å; K703-E707 WeakPolarHBondContact O-CB 3.11Å; K703-E707 PolarHBondContact O-N 2.77Å; E707-I709 VanDerWaalsContact C-N 3.32Å; E707-I709 PolarHBondContact O-N 2.7Å; E707-R710 CarbonylContact O-C 3.47Å; E707-R710 WeakPolarHBondContact O-CA 3.28Å; E707-R710 VanDerWaalsContact O-CB 3.3Å; E707-R710 WeakPolarHBondContact O-CB 3.08Å; E707-R710 PolarHBondContact O-N 2.8Å; E707-E711 WeakPolarHBondContact O-CG 3.27Å; E707-E711 PolarHBondContact O-N 3.06Å
708	R	91.3	Very high	90.2	Very high	111 Å²	111	102.1 Å²	102.1	42%	0.419	48%	0.481	S	S	.	.	H	α-helix	trans	-66.1	-30.3	178.1	-152.2	-160.6	71.5	-109.5	-12.7	113.6	E704 E705 E712	E704-R708 WeakPolarHBondContact O-CB 3.45Å; E704-R708 PolarHBondContact O-N 3.09Å; E705-R708 IonicContact OE1-CZ 3.42Å; E705-R708 VanDerWaalsContact OE1-CZ 3.25Å; E705-R708 IonicContact OE1-NH1 2.78Å; E705-R708 PolarHBondContact OE1-NH1 2.85Å; E705-R708 IonicContact OE1-NH2 3.7Å; E705-R708 PolarHBondContact OE1-NH2 2.98Å; E705-R708 IonicContact OE2-CZ 3.59Å; E705-R708 IonicContact OE2-NH1 3.37Å; E705-R708 PolarHBondContact OE2-NH1 2.87Å; R708-E712 WeakPolarHBondContact O-CB 3.32Å; R708-E712 PolarHBondContact O-N 2.71Å
709	I	91	Very high	90.3	Very high	97 Å²	97	103.7 Å²	103.7	50%	0.497	49%	0.492	S	S	.	.	H	α-helix	trans	-70.6	-35.2	171.7	-73.6	167.2	0	0	0	111	E705 E706 E707 A713	E705-I709 HydrophobicContact CG-CD1 4.1Å; E705-I709 WeakPolarHBondContact O-CB 3.29Å; E705-I709 WeakPolarHBondContact O-CD1 3.07Å; E705-I709 WeakPolarHBondContact O-CG1 3.43Å; E705-I709 PolarHBondContact O-N 2.94Å; E706-I709 PolarHBondContact O-N 2.6Å; E707-I709 VanDerWaalsContact C-N 3.32Å; E707-I709 PolarHBondContact O-N 2.7Å; I709-A713 WeakPolarHBondContact O-CB 3.22Å; I709-A713 PolarHBondContact O-N 2.67Å
710	R	92.6	Very high	90.5	Very high	152 Å²	152	107.3 Å²	107.3	57%	0.574	50%	0.502	S	S	*	.	H	α-helix	trans	-67.8	-46.1	175.2	-166.9	-175.3	-61.9	-176.6	1	111	E706 E707 A713 E714	E706-R710 WeakPolarHBondContact O-CB 3.26Å; E706-R710 PolarHBondContact O-N 3.46Å; E706-R710 IonicContact OE1-CZ 3.94Å; E706-R710 IonicContact OE1-NH2 2.71Å; E706-R710 PolarHBondContact OE1-NH2 2.89Å; E707-R710 CarbonylContact O-C 3.47Å; E707-R710 WeakPolarHBondContact O-CA 3.28Å; E707-R710 VanDerWaalsContact O-CB 3.3Å; E707-R710 WeakPolarHBondContact O-CB 3.08Å; E707-R710 PolarHBondContact O-N 2.8Å; R710-A713 WeakPolarHBondContact O-CB 3.13Å; R710-A713 PolarHBondContact O-N 2.73Å; R710-E714 WeakPolarHBondContact O-CB 3.23Å; R710-E714 PolarHBondContact O-N 2.87Å
711	E	90.6	Very high	90.5	Very high	105 Å²	105	105.9 Å²	105.9	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-57.4	-47.6	171.9	-69	178.7	148.2	0	0	111.7	E707 A713 E714 I715	E707-E711 WeakPolarHBondContact O-CG 3.27Å; E707-E711 PolarHBondContact O-N 3.06Å; E711-A713 VanDerWaalsContact C-N 3.28Å; E711-A713 PolarHBondContact O-N 3.28Å; E711-E714 PolarHBondContact O-N 2.83Å; E711-I715 WeakPolarHBondContact O-CB 3.45Å; E711-I715 VanDerWaalsContact O-CG1 3.27Å; E711-I715 WeakPolarHBondContact O-CG1 3.07Å; E711-I715 PolarHBondContact O-N 2.62Å
712	E	88.2	Confident	90.7	Very high	112 Å²	112	108.1 Å²	108.1	52%	0.523	51%	0.508	S	S	.	.	H	α-helix	trans	-63	-35.5	178	-170.1	179.1	158.9	0	0	111.8	R708 K716	R708-E712 WeakPolarHBondContact O-CB 3.32Å; R708-E712 PolarHBondContact O-N 2.71Å; E712-K716 WeakPolarHBondContact O-CB 3.4Å; E712-K716 PolarHBondContact O-N 2.72Å; E712-K716 VanDerWaalsContact O-N 3.1Å
713	A	90.7	Very high	90.7	Very high	58 Å²	58	108 Å²	108	48%	0.479	51%	0.507	S	S	.	.	H	α-helix	trans	-69.1	-40.8	174.4	0	0	0	0	0	112.7	I709 R710 E711 K716 E717	I709-A713 WeakPolarHBondContact O-CB 3.22Å; I709-A713 PolarHBondContact O-N 2.67Å; R710-A713 WeakPolarHBondContact O-CB 3.13Å; R710-A713 PolarHBondContact O-N 2.73Å; E711-A713 VanDerWaalsContact C-N 3.28Å; E711-A713 PolarHBondContact O-N 3.28Å; A713-K716 PolarHBondContact O-N 2.8Å; A713-E717 PolarHBondContact O-N 2.9Å
714	E	93.3	Very high	90.8	Very high	139 Å²	139	104.2 Å²	104.2	65%	0.65	49%	0.491	S	S	*	.	H	α-helix	trans	-70.1	-44	-179.6	-168.5	160.3	-146.8	0	0	111.5	R710 E711 K716 E717 E718	R710-E714 WeakPolarHBondContact O-CB 3.23Å; R710-E714 PolarHBondContact O-N 2.87Å; E711-E714 PolarHBondContact O-N 2.83Å; E714-K716 VanDerWaalsContact C-N 3.27Å; E714-K716 PolarHBondContact O-N 3.06Å; E714-E717 PolarHBondContact O-N 3.44Å; E714-E717 VanDerWaalsContact O-N 3.13Å; E714-E718 PolarHBondContact O-N 2.81Å
715	I	90.5	Very high	90.8	Very high	106 Å²	106	102.4 Å²	102.4	54%	0.544	49%	0.492	S	S	.	.	H	α-helix	trans	-58.9	-39.5	170.6	-68	165.7	0	0	0	111	E711 E718 L719	E711-I715 WeakPolarHBondContact O-CB 3.45Å; E711-I715 VanDerWaalsContact O-CG1 3.27Å; E711-I715 WeakPolarHBondContact O-CG1 3.07Å; E711-I715 PolarHBondContact O-N 2.62Å; I715-E718 PolarHBondContact O-N 3.23Å; I715-L719 HydrophobicContact CG2-CD1 4.33Å; I715-L719 PolarHBondContact O-N 2.95Å
716	K	91.1	Very high	90.9	Very high	96 Å²	96	106 Å²	106	42%	0.417	51%	0.507	S	S	.	.	H	α-helix	trans	-70.2	-30	177.8	-173.5	175.7	-176.1	177	0	112.6	E712 A713 E714 R720 T1565	E712-K716 WeakPolarHBondContact O-CB 3.4Å; E712-K716 PolarHBondContact O-N 2.72Å; E712-K716 VanDerWaalsContact O-N 3.1Å; A713-K716 PolarHBondContact O-N 2.8Å; E714-K716 VanDerWaalsContact C-N 3.27Å; E714-K716 PolarHBondContact O-N 3.06Å; K716-R720 PolarHBondContact O-N 3.3Å; K716-T1565 PolarHBondContact NZ-O 2.91Å
717	E	91.9	Very high	90.9	Very high	103 Å²	103	107.6 Å²	107.6	48%	0.481	51%	0.514	S	S	.	.	H	α-helix	trans	-75	-42	170.6	-178.5	149.4	-138.5	0	0	112	A713 E714 L719 R720 L721	A713-E717 PolarHBondContact O-N 2.9Å; E714-E717 PolarHBondContact O-N 3.44Å; E714-E717 VanDerWaalsContact O-N 3.13Å; E717-L719 VanDerWaalsContact C-N 3.34Å; E717-L719 PolarHBondContact O-N 3.5Å; E717-R720 WeakPolarHBondContact O-CB 3.02Å; E717-R720 PolarHBondContact O-N 2.88Å; E717-R720 IonicContact OE1-NH1 3.87Å; E717-L721 HydrophobicContact CG-CD1 4.01Å; E717-L721 HydrophobicContact CG-CG 4.38Å; E717-L721 PolarHBondContact O-N 2.93Å
718	E	90.8	Very high	90.8	Very high	99 Å²	99	108.3 Å²	108.3	46%	0.463	52%	0.516	S	S	.	.	H	α-helix	trans	-58.6	-46.3	174.2	-162.5	-146.6	128.4	0	0	110.8	E714 I715 R720 L721 R722	E714-E718 PolarHBondContact O-N 2.81Å; I715-E718 PolarHBondContact O-N 3.23Å; E718-R720 PolarHBondContact O-N 2.87Å; E718-L721 PolarHBondContact O-N 3.11Å; E718-R722 WeakPolarHBondContact O-CB 3.37Å; E718-R722 PolarHBondContact O-N 2.84Å; E718-R722 IonicContact OE1-CZ 2.74Å; E718-R722 IonicContact OE1-NH1 3.5Å; E718-R722 PolarHBondContact OE1-NH1 2.9Å
719	L	89	Confident	90.7	Very high	115 Å²	115	109.1 Å²	109.1	60%	0.602	52%	0.524	S	S	*	.	H	α-helix	trans	-57.3	-37.2	174.9	-109.8	81.5	0	0	0	112.4	I715 E717 A723	I715-L719 HydrophobicContact CG2-CD1 4.33Å; I715-L719 PolarHBondContact O-N 2.95Å; E717-L719 VanDerWaalsContact C-N 3.34Å; E717-L719 PolarHBondContact O-N 3.5Å; L719-A723 WeakPolarHBondContact O-CB 3.36Å; L719-A723 PolarHBondContact O-N 3.32Å
720	R	93.3	Very high	90.6	Very high	131 Å²	131	111.8 Å²	111.8	49%	0.494	53%	0.532	S	S	.	.	H	α-helix	trans	-70.5	-47.7	178.8	-152.6	-165.7	93.8	-131.8	-1.5	111.4	K716 E717 E718 R722 A723 E724	K716-R720 PolarHBondContact O-N 3.3Å; E717-R720 WeakPolarHBondContact O-CB 3.02Å; E717-R720 PolarHBondContact O-N 2.88Å; E717-R720 IonicContact OE1-NH1 3.87Å; E718-R720 PolarHBondContact O-N 2.87Å; R720-R722 VanDerWaalsContact C-N 3.28Å; R720-R722 PolarHBondContact O-N 2.68Å; R720-A723 WeakPolarHBondContact O-CB 3.35Å; R720-A723 PolarHBondContact O-N 2.92Å; R720-E724 IonicContact CZ-OE1 2.68Å; R720-E724 IonicContact NE-OE1 3.56Å; R720-E724 PolarHBondContact NE-OE1 3.29Å; R720-E724 IonicContact NH2-OE1 2.76Å; R720-E724 PolarHBondContact NH2-OE1 2.96Å; R720-E724 IonicContact NH2-OE2 3.04Å; R720-E724 WeakPolarHBondContact O-CG 3.36Å; R720-E724 PolarHBondContact O-N 2.9Å
721	L	92.3	Very high	90.4	Very high	93 Å²	93	111 Å²	111	49%	0.487	54%	0.535	S	S	.	.	H	α-helix	trans	-60.2	-38.8	175.6	-73.7	167.7	0	0	0	111.5	E717 E718 E724 A725	E717-L721 HydrophobicContact CG-CD1 4.01Å; E717-L721 HydrophobicContact CG-CG 4.38Å; E717-L721 PolarHBondContact O-N 2.93Å; E718-L721 PolarHBondContact O-N 3.11Å; L721-E724 PolarHBondContact O-N 3.44Å; L721-A725 VanDerWaalsContact O-CB 3.28Å; L721-A725 WeakPolarHBondContact O-CB 3.3Å; L721-A725 PolarHBondContact O-N 3.33Å
722	R	88.1	Confident	90.3	Very high	160 Å²	160	115.3 Å²	115.3	60%	0.604	55%	0.547	S	S	*	.	H	α-helix	trans	-72.4	-27.6	177.9	-159.5	167.3	-171.8	161.8	-3.5	112.9	E718 R720 K726	E718-R722 WeakPolarHBondContact O-CB 3.37Å; E718-R722 PolarHBondContact O-N 2.84Å; E718-R722 IonicContact OE1-CZ 2.74Å; E718-R722 IonicContact OE1-NH1 3.5Å; E718-R722 PolarHBondContact OE1-NH1 2.9Å; R720-R722 VanDerWaalsContact C-N 3.28Å; R720-R722 PolarHBondContact O-N 2.68Å; R722-K726 WeakPolarHBondContact O-CG 3.33Å; R722-K726 PolarHBondContact O-N 2.83Å
723	A	89.2	Confident	90.1	Very high	56 Å²	56	115.2 Å²	115.2	46%	0.463	55%	0.549	S	S	.	.	H	α-helix	trans	-72.2	-49.2	168.7	0	0	0	0	0	111.6	L719 R720 A725 K726 E727	L719-A723 WeakPolarHBondContact O-CB 3.36Å; L719-A723 PolarHBondContact O-N 3.32Å; R720-A723 WeakPolarHBondContact O-CB 3.35Å; R720-A723 PolarHBondContact O-N 2.92Å; A723-A725 PolarHBondContact O-N 3.15Å; A723-K726 PolarHBondContact O-N 3.37Å; A723-K726 VanDerWaalsContact O-N 3.14Å; A723-E727 PolarHBondContact O-N 3.41Å
724	E	92.6	Very high	89.9	Confident	64 Å²	64	118 Å²	118	30%	0.299	55%	0.552	S	S	.	*	H	α-helix	trans	-59.2	-34.9	175.6	-71.4	178	-150.5	0	0	112.2	R720 L721 K728	R720-E724 IonicContact CZ-OE1 2.68Å; R720-E724 IonicContact NE-OE1 3.56Å; R720-E724 PolarHBondContact NE-OE1 3.29Å; R720-E724 IonicContact NH2-OE1 2.76Å; R720-E724 PolarHBondContact NH2-OE1 2.96Å; R720-E724 IonicContact NH2-OE2 3.04Å; R720-E724 WeakPolarHBondContact O-CG 3.36Å; R720-E724 PolarHBondContact O-N 2.9Å; L721-E724 PolarHBondContact O-N 3.44Å; E724-K728 WeakPolarHBondContact O-CG 3.4Å; E724-K728 PolarHBondContact O-N 3.36Å; E724-K728 VanDerWaalsContact O-N 3.08Å
725	A	91.7	Very high	89.6	Confident	55 Å²	55	118.5 Å²	118.5	46%	0.455	55%	0.552	S	S	.	*	H	α-helix	trans	-66.4	-45.6	174	0	0	0	0	0	112.3	L721 A723 E727 K728 E729	L721-A725 VanDerWaalsContact O-CB 3.28Å; L721-A725 WeakPolarHBondContact O-CB 3.3Å; L721-A725 PolarHBondContact O-N 3.33Å; A723-A725 PolarHBondContact O-N 3.15Å; A725-E727 VanDerWaalsContact C-N 3.31Å; A725-E727 PolarHBondContact O-N 3.26Å; A725-K728 PolarHBondContact O-N 2.83Å; A725-E729 WeakPolarHBondContact O-CB 3.37Å; A725-E729 PolarHBondContact O-N 2.91Å
726	K	89.7	Confident	89.3	Confident	143 Å²	143	117.4 Å²	117.4	62%	0.622	55%	0.545	S	S	*	.	H	α-helix	trans	-64.1	-34.5	175.3	-80.4	-176.4	173.3	-174.9	0	112.7	R722 A723 K730	R722-K726 WeakPolarHBondContact O-CG 3.33Å; R722-K726 PolarHBondContact O-N 2.83Å; A723-K726 PolarHBondContact O-N 3.37Å; A723-K726 VanDerWaalsContact O-N 3.14Å; K726-K730 WeakPolarHBondContact O-CB 3.43Å; K726-K730 PolarHBondContact O-N 3.46Å
727	E	88.7	Confident	89	Confident	142 Å²	142	122.2 Å²	122.2	66%	0.664	56%	0.56	S	S	*	*	H	α-helix	trans	-66.3	-47.9	175.5	-172.5	164.6	-139.9	0	0	111.2	A723 A725 E729 K730 E731	A723-E727 PolarHBondContact O-N 3.41Å; A725-E727 VanDerWaalsContact C-N 3.31Å; A725-E727 PolarHBondContact O-N 3.26Å; E727-E729 VanDerWaalsContact C-N 3.34Å; E727-E729 PolarHBondContact O-N 3.36Å; E727-K730 PolarHBondContact O-N 3.07Å; E727-E731 WeakPolarHBondContact O-CB 3.4Å; E727-E731 PolarHBondContact O-N 2.82Å
728	K	91.1	Very high	88.4	Confident	138 Å²	138	122.9 Å²	122.9	60%	0.6	57%	0.567	S	S	*	*	H	α-helix	trans	-62.8	-36.1	173.5	-76	171	179	160.9	0	113.4	E724 A725 R732	E724-K728 WeakPolarHBondContact O-CG 3.4Å; E724-K728 PolarHBondContact O-N 3.36Å; E724-K728 VanDerWaalsContact O-N 3.08Å; A725-K728 PolarHBondContact O-N 2.83Å; K728-R732 VanDerWaalsContact O-CB 3.24Å; K728-R732 WeakPolarHBondContact O-CB 3.47Å; K728-R732 PolarHBondContact O-N 3.47Å
729	E	89	Confident	88	Confident	128 Å²	128	124.5 Å²	124.5	60%	0.598	57%	0.574	S	S	*	*	H	α-helix	trans	-64	-47.4	174.1	-176.9	174.3	-149.6	0	0	110.8	A725 E727 R732 L733	A725-E729 WeakPolarHBondContact O-CB 3.37Å; A725-E729 PolarHBondContact O-N 2.91Å; E727-E729 VanDerWaalsContact C-N 3.34Å; E727-E729 PolarHBondContact O-N 3.36Å; E729-R732 PolarHBondContact O-N 2.99Å; E729-L733 WeakPolarHBondContact O-CB 3.26Å; E729-L733 PolarHBondContact O-N 3.41Å
730	K	87.7	Confident	87.5	Confident	152 Å²	152	125.3 Å²	125.3	66%	0.661	57%	0.573	S	S	*	*	H	α-helix	trans	-60.5	-46.6	176.3	-174.2	-170.8	173.6	-163.6	0	112	K726 E727 R732 L733 E734	K726-K730 WeakPolarHBondContact O-CB 3.43Å; K726-K730 PolarHBondContact O-N 3.46Å; E727-K730 PolarHBondContact O-N 3.07Å; K730-R732 VanDerWaalsContact C-N 3.34Å; K730-R732 PolarHBondContact O-N 2.77Å; K730-L733 PolarHBondContact O-N 3.25Å; K730-E734 WeakPolarHBondContact O-CB 3.32Å; K730-E734 PolarHBondContact O-N 3.47Å
731	E	88.2	Confident	86.7	Confident	137 Å²	137	125.6 Å²	125.6	64%	0.64	58%	0.578	S	S	*	*	H	α-helix	trans	-61	-41.8	177	-173.3	-175	-139	0	0	111.5	E727 E734 K735	E727-E731 WeakPolarHBondContact O-CB 3.4Å; E727-E731 PolarHBondContact O-N 2.82Å; E731-E734 PolarHBondContact O-N 2.78Å; E731-K735 WeakPolarHBondContact O-CB 3.45Å; E731-K735 PolarHBondContact O-N 3.47Å
732	R	89	Confident	85.8	Confident	194 Å²	194	124.1 Å²	124.1	73%	0.732	58%	0.579	S	S	*	*	H	α-helix	trans	-64.2	-41.2	175.1	-178.4	179.7	173	-163.8	-4	112.3	K728 E729 K730 K735 E736	K728-R732 VanDerWaalsContact O-CB 3.24Å; K728-R732 WeakPolarHBondContact O-CB 3.47Å; K728-R732 PolarHBondContact O-N 3.47Å; E729-R732 PolarHBondContact O-N 2.99Å; K730-R732 VanDerWaalsContact C-N 3.34Å; K730-R732 PolarHBondContact O-N 2.77Å; R732-K735 PolarHBondContact O-N 2.81Å; R732-E736 PolarHBondContact O-N 3.29Å
733	L	84.7	Confident	85	Confident	110 Å²	110	119.3 Å²	119.3	58%	0.576	57%	0.574	S	S	*	*	H	α-helix	trans	-70.8	-36	179.4	-144.3	168	0	0	0	111.2	E729 K730 E736 R737	E729-L733 WeakPolarHBondContact O-CB 3.26Å; E729-L733 PolarHBondContact O-N 3.41Å; K730-L733 PolarHBondContact O-N 3.25Å; L733-E736 PolarHBondContact O-N 2.9Å; L733-R737 WeakPolarHBondContact O-CB 3.35Å; L733-R737 PolarHBondContact O-N 3.33Å
734	E	86.8	Confident	83.9	Confident	117 Å²	117	119.8 Å²	119.8	55%	0.547	58%	0.577	S	S	.	*	H	α-helix	trans	-65.9	-41.5	171	-178.2	158.2	-157.2	0	0	111.9	K730 E731 R737 L738	K730-E734 WeakPolarHBondContact O-CB 3.32Å; K730-E734 PolarHBondContact O-N 3.47Å; E731-E734 PolarHBondContact O-N 2.78Å; E734-R737 WeakPolarHBondContact O-CB 3.33Å; E734-R737 PolarHBondContact O-N 3.28Å; E734-L738 PolarHBondContact O-N 2.84Å
735	K	86.2	Confident	82.5	Confident	149 Å²	149	120.2 Å²	120.2	65%	0.648	59%	0.592	S	S	*	*	H	α-helix	trans	-63.1	-43.7	173.8	-170.5	173.6	-177.6	175.9	0	112.3	E731 R732 R737 L738 E739	E731-K735 WeakPolarHBondContact O-CB 3.45Å; E731-K735 PolarHBondContact O-N 3.47Å; R732-K735 PolarHBondContact O-N 2.81Å; K735-R737 VanDerWaalsContact C-N 3.31Å; K735-R737 PolarHBondContact O-N 2.7Å; K735-L738 WeakPolarHBondContact O-CB 3.25Å; K735-L738 PolarHBondContact O-N 2.85Å; K735-E739 WeakPolarHBondContact O-CB 3.15Å; K735-E739 PolarHBondContact O-N 3.36Å
736	E	84.6	Confident	80.9	Confident	83 Å²	83	121 Å²	121	39%	0.388	60%	0.598	S	S	.	*	H	α-helix	trans	-64.7	-35.3	174.4	-163.1	-164.4	127.6	0	0	111.7	R732 L733 E739 K740	R732-E736 PolarHBondContact O-N 3.29Å; L733-E736 PolarHBondContact O-N 2.9Å; E736-E739 PolarHBondContact O-N 3.41Å; E736-K740 WeakPolarHBondContact O-CB 3.44Å; E736-K740 PolarHBondContact O-N 2.8Å; E736-K740 WeakPolarHBondContact OE1-CE 3.31Å; E736-K740 IonicContact OE1-NZ 3.33Å; E736-K740 PolarHBondContact OE1-NZ 3.44Å
737	R	83.3	Confident	79.3	Confident	198 Å²	198	118.3 Å²	118.3	75%	0.747	60%	0.603	S	S	*	*	H	α-helix	trans	-67.3	-38.6	174.4	-174.4	174.4	-179.7	153.1	0.7	112.1	L733 E734 K735 K741	L733-R737 WeakPolarHBondContact O-CB 3.35Å; L733-R737 PolarHBondContact O-N 3.33Å; E734-R737 WeakPolarHBondContact O-CB 3.33Å; E734-R737 PolarHBondContact O-N 3.28Å; K735-R737 VanDerWaalsContact C-N 3.31Å; K735-R737 PolarHBondContact O-N 2.7Å; R737-K741 WeakPolarHBondContact O-CB 3.38Å; R737-K741 PolarHBondContact O-N 2.8Å
738	L	80.9	Confident	77.4	Confident	117 Å²	117	115.5 Å²	115.5	61%	0.613	60%	0.604	S	S	*	*	H	α-helix	trans	-64.8	-44.3	171.4	-90.3	161.9	0	0	0	111.6	E734 K735 K741 A742	E734-L738 PolarHBondContact O-N 2.84Å; K735-L738 WeakPolarHBondContact O-CB 3.25Å; K735-L738 PolarHBondContact O-N 2.85Å; L738-K741 PolarHBondContact O-N 2.85Å; L738-A742 PolarHBondContact O-N 3.38Å
739	E	81.5	Confident	75.2	Confident	132 Å²	132	115.5 Å²	115.5	62%	0.617	61%	0.61	S	S	*	*	H	α-helix	trans	-64.9	-42.8	177.9	-172.1	165.9	-163.1	0	0	111.9	K735 E736 K741 A742 A743	K735-E739 WeakPolarHBondContact O-CB 3.15Å; K735-E739 PolarHBondContact O-N 3.36Å; E736-E739 PolarHBondContact O-N 3.41Å; E739-K741 VanDerWaalsContact C-N 3.33Å; E739-K741 PolarHBondContact O-N 3.3Å; E739-A742 PolarHBondContact O-N 3.42Å; E739-A743 WeakPolarHBondContact O-CB 3.2Å; E739-A743 PolarHBondContact O-N 3.35Å
740	K	79.7	Confident	72.8	Confident	133 Å²	133	115 Å²	115	58%	0.578	62%	0.619	S	S	*	*	H	α-helix	trans	-62.9	-35.3	170.9	-82.8	172	171.1	164.8	0	112.7	E736 A744	E736-K740 WeakPolarHBondContact O-CB 3.44Å; E736-K740 PolarHBondContact O-N 2.8Å; E736-K740 WeakPolarHBondContact OE1-CE 3.31Å; E736-K740 IonicContact OE1-NZ 3.33Å; E736-K740 PolarHBondContact OE1-NZ 3.44Å; K740-A744 WeakPolarHBondContact O-CB 3.33Å; K740-A744 PolarHBondContact O-N 3.02Å
741	K	75.4	Confident	70.4	Confident	136 Å²	136	114.8 Å²	114.8	59%	0.591	62%	0.624	S	S	*	*	H	α-helix	trans	-70.9	-35.4	175	-159.7	173.6	-173.9	-177.9	0	111.9	R737 L738 E739 A745	R737-K741 WeakPolarHBondContact O-CB 3.38Å; R737-K741 PolarHBondContact O-N 2.8Å; L738-K741 PolarHBondContact O-N 2.85Å; E739-K741 VanDerWaalsContact C-N 3.33Å; E739-K741 PolarHBondContact O-N 3.3Å; K741-A745 PolarHBondContact O-N 2.92Å; K741-A745 VanDerWaalsContact O-N 3.07Å
742	A	73.3	Confident	68	Low	62 Å²	62	113.7 Å²	113.7	51%	0.512	63%	0.629	S	S	.	*	H	α-helix	trans	-68.6	-41.6	172.1	0	0	0	0	0	112.1	L738 E739 A745 A746	L738-A742 PolarHBondContact O-N 3.38Å; E739-A742 PolarHBondContact O-N 3.42Å; A742-A745 PolarHBondContact O-N 3.39Å; A742-A746 PolarHBondContact O-N 3.01Å
743	A	71.1	Confident	65.4	Low	60 Å²	60	110.8 Å²	110.8	50%	0.496	63%	0.633	S	S	.	*	H	α-helix	trans	-64.6	-39.7	175	0	0	0	0	0	112.1	E739 A746 A747	E739-A743 WeakPolarHBondContact O-CB 3.2Å; E739-A743 PolarHBondContact O-N 3.35Å; A743-A746 PolarHBondContact O-N 3.39Å; A743-A747 WeakPolarHBondContact O-CB 3.24Å; A743-A747 PolarHBondContact O-N 3.14Å
744	A	67	Low	63.2	Low	65 Å²	65	111.4 Å²	111.4	54%	0.537	64%	0.644	S	S	.	*	H	α-helix	trans	-63.7	-38.7	172.9	0	0	0	0	0	112.3	K740 A747	K740-A744 WeakPolarHBondContact O-CB 3.33Å; K740-A744 PolarHBondContact O-N 3.02Å; A744-A747 PolarHBondContact O-N 2.99Å
745	A	61.9	Low	60.9	Low	73 Å²	73	113.6 Å²	113.6	60%	0.603	66%	0.657	S	S	*	*	H	α-helix	trans	-67.2	-36.5	173.1	0	0	0	0	0	112.6	K741 A742 A748	K741-A745 PolarHBondContact O-N 2.92Å; K741-A745 VanDerWaalsContact O-N 3.07Å; A742-A745 PolarHBondContact O-N 3.39Å; A745-A748 PolarHBondContact O-N 3.33Å
746	A	59.7	Low	58.8	Low	72 Å²	72	112 Å²	112	60%	0.595	66%	0.663	S	S	*	*	H	α-helix	trans	-69.3	-33.8	175	0	0	0	0	0	112.8	A742 A743 A748	A742-A746 PolarHBondContact O-N 3.01Å; A743-A746 PolarHBondContact O-N 3.39Å; A746-A748 PolarHBondContact O-N 3.24Å
747	A	54.9	Low	57	Low	86 Å²	86	114 Å²	114	71%	0.711	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-11.4	177.6	0	0	0	0	0	114.2	A743 A744 N749	A743-A747 WeakPolarHBondContact O-CB 3.24Å; A743-A747 PolarHBondContact O-N 3.14Å; A744-A747 PolarHBondContact O-N 2.99Å; A747-N749 VanDerWaalsContact C-N 3.26Å; A747-N749 PolarHBondContact O-N 3.27Å
748	A	50.2	Low	54.8	Low	83 Å²	83	111.1 Å²	111.1	69%	0.686	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	2.1	179.3	0	0	0	0	0	114.6	A745 A746	A745-A748 PolarHBondContact O-N 3.33Å; A746-A748 PolarHBondContact O-N 3.24Å
749	N	43.4	Very low	52.8	Low	138 Å²	138	111.8 Å²	111.8	74%	0.738	70%	0.699	S	S	*	*	S	Bend	trans	-117.8	106.9	-174.5	-162	6	0	0	0	112.2	A747 N751	A747-N749 VanDerWaalsContact C-N 3.26Å; A747-N749 PolarHBondContact O-N 3.27Å; N749-N751 PolarHBondContact O-N 3.36Å
750	P	39.8	Very low	50.6	Low	119 Å²	119	110.4 Å²	110.4	77%	0.773	71%	0.709	S	S	*	*			trans	-87.2	97.3	-169.9	33.1	-34.6	0	0	0	113.2
751	N	36.1	Very low	48.5	Very low	147 Å²	147	110.3 Å²	110.3	79%	0.786	72%	0.72	S	S	*	*			trans	-150.8	106.9	160.7	-157.5	6.5	0	0	0	112.6	N749	N749-N751 PolarHBondContact O-N 3.36Å
752	P	37.7	Very low	46.8	Very low	113 Å²	113	108.9 Å²	108.9	73%	0.734	73%	0.725	S	S	*	*			trans	-103.4	116.7	-171.3	35.5	-30.5	0	0	0	114.6
753	T	35.4	Very low	44.9	Very low	134 Å²	134	114.5 Å²	114.5	82%	0.822	74%	0.74	S	S	*	*			trans	-146.2	95.6	162.3	36.6	0	0	0	0	112.2
754	P	38.4	Very low	43.2	Very low	122 Å²	122	117.2 Å²	117.2	79%	0.792	76%	0.755	S	S	*	*			trans	-97.3	133.2	174.2	34.5	-29.7	0	0	0	112.5
755	I	38	Very low	41.6	Very low	163 Å²	163	119.6 Å²	119.6	84%	0.836	77%	0.768	S	S	*	*			trans	-135.2	126.3	164	-56.1	-179.9	0	0	0	107.7
756	P	42.2	Very low	40.3	Very low	117 Å²	117	120 Å²	120	76%	0.76	77%	0.772	S	S	*	*			trans	-81	163.8	-174.6	32.5	-35.5	0	0	0	113.9
757	P	47.3	Very low	39	Very low	124 Å²	124	124.5 Å²	124.5	81%	0.805	78%	0.781	S	S	*	*			trans	-107.4	169.3	-158.7	40.6	-36.2	0	0	0	116.1
758	T	36.3	Very low	37.9	Very low	137 Å²	137	128.2 Å²	128.2	84%	0.84	78%	0.783	S	S	*	*			trans	-133.8	143.8	161.4	49.1	0	0	0	0	110.5
759	P	38.4	Very low	37	Very low	132 Å²	132	133.1 Å²	133.1	86%	0.857	79%	0.792	S	S	*	*			trans	-96.6	149.3	-164.1	36.4	-36.1	0	0	0	115.7
760	A	36.3	Very low	37	Very low	102 Å²	102	132 Å²	132	84%	0.843	79%	0.792	S	S	*	*			trans	-155.3	140.2	158	0	0	0	0	0	112
761	T	36.2	Very low	37.1	Very low	132 Å²	132	133.7 Å²	133.7	81%	0.81	79%	0.793	S	S	*	*			trans	-72.3	164.9	167	39.3	0	0	0	0	111.5
762	P	38.3	Very low	37.3	Very low	106 Å²	106	132.2 Å²	132.2	69%	0.688	79%	0.792	S	S	*	*			cis	-157	171	41.4	44	-22	0	0	0	122.1
763	H	34.9	Very low	37.3	Very low	180 Å²	180	132.3 Å²	132.3	83%	0.833	79%	0.792	S	S	*	*			trans	57.9	140.4	146.1	-72.7	-56.8	0	0	0	124.5
764	S	34.3	Very low	37.5	Very low	116 Å²	116	132 Å²	132	81%	0.811	79%	0.792	S	S	*	*			trans	80.7	134.2	160.7	-54.4	0	0	0	0	117.5
765	S	33.2	Very low	37.1	Very low	115 Å²	115	133.4 Å²	133.4	80%	0.804	79%	0.792	S	S	*	*			cis	-166.4	164.7	-6.7	45.1	0	0	0	0	112.8
766	A	34.6	Very low	37	Very low	83 Å²	83	131 Å²	131	69%	0.686	79%	0.79	S	S	*	*			trans	84.9	115.1	163.2	0	0	0	0	0	120.9
767	Q	33.4	Very low	36.6	Very low	166 Å²	166	130.8 Å²	130.8	78%	0.776	79%	0.787	S	S	*	*			trans	57.6	137.8	142	-64.2	179.1	-91.3	0	0	120.9
768	Q	32	Very low	36	Very low	163 Å²	163	132.7 Å²	132.7	76%	0.762	79%	0.785	S	S	*	*			cis	-160.9	149.3	-13.2	-128.9	160.7	-17.2	0	0	110.1
769	Q	31.7	Very low	35.8	Very low	186 Å²	186	130.9 Å²	130.9	87%	0.869	77%	0.774	S	S	*	*			trans	-146.8	-163.9	172.3	-63.3	-162.9	-4.2	0	0	107.1
770	P	41.8	Very low	35.6	Very low	114 Å²	114	129.8 Å²	129.8	74%	0.74	77%	0.769	S	S	*	*			cis	-140.7	-167.7	-5.6	41.7	-20.4	0	0	0	116.4
771	I	42.3	Very low	35.8	Very low	156 Å²	156	127.8 Å²	127.8	80%	0.8	75%	0.752	S	S	*	*			trans	-72.4	153.5	164.8	-55.4	152.9	0	0	0	110.8
772	P	39.9	Very low	35.8	Very low	116 Å²	116	127.1 Å²	127.1	75%	0.753	74%	0.74	S	S	*	*			trans	-104.7	157.1	168.3	36.7	-30.4	0	0	0	115.6
773	P	39.6	Very low	35.8	Very low	114 Å²	114	128.1 Å²	128.1	74%	0.74	74%	0.738	S	S	*	*			trans	-124.9	-173.6	-168.9	44.2	-29.5	0	0	0	114.7
774	P	37.7	Very low	35.9	Very low	128 Å²	128	125.3 Å²	125.3	83%	0.831	73%	0.726	S	S	*	*			trans	-81.6	174.2	168.6	32.2	-35.7	0	0	0	115.3
775	L	31.9	Very low	36.1	Very low	152 Å²	152	126.9 Å²	126.9	80%	0.796	72%	0.72	S	S	*	*			trans	-83.1	157.7	-159.1	-103.4	67.3	0	0	0	117.9
776	S	35.1	Very low	36.2	Very low	113 Å²	113	126.2 Å²	126.2	79%	0.79	72%	0.716	S	S	*	*				-162.9	122	116.9	-80.5	0	0	0	0	113.9
777	T	33.6	Very low	36.4	Very low	111 Å²	111	125.7 Å²	125.7	68%	0.681	71%	0.711	S	S	*	*			trans	3.1	145.3	147.1	55.2	0	0	0	0	119.5
778	Q	33.7	Very low	36.6	Very low	165 Å²	165	127 Å²	127	77%	0.771	72%	0.717	S	S	*	*			cis	-169.3	169.3	13.1	-127.6	-168.4	104.3	0	0	108.5
779	T	33.8	Very low	37.1	Very low	99 Å²	99	123.6 Å²	123.6	61%	0.607	70%	0.701	S	S	*	*			cis	-153.3	177.3	-2.5	-31.4	0	0	0	0	107.5
780	S	34.5	Very low	37	Very low	109 Å²	109	119.9 Å²	119.9	76%	0.762	69%	0.693	S	S	*	*			trans	67.5	174.2	152.3	-73.1	0	0	0	0	116
781	A	40	Very low	36.2	Very low	59 Å²	59	119.3 Å²	119.3	49%	0.488	69%	0.692	S	S	.	*			cis	-169	169.7	-25.9	0	0	0	0	0	107.4
782	E	36.7	Very low	35.9	Very low	118 Å²	118	117.9 Å²	117.9	55%	0.551	69%	0.69	S	S	*	*			cis	-176.7	177.8	-19.9	-96.8	176	84.8	0	0	105.2	P793 V794	E782-P793 CarbonylContact O-C 3.52Å; E782-P793 WeakPolarHBondContact O-CA 3.42Å; E782-V794 HydrophobicContact CB-CG2 4.42Å; E782-V794 VanDerWaalsContact O-CG2 3.31Å; E782-V794 WeakPolarHBondContact O-CG2 3.38Å; E782-V794 PolarHBondContact O-N 3.27Å
783	I	37.6	Very low	35.6	Very low	127 Å²	127	117.4 Å²	117.4	65%	0.651	69%	0.688	S	S	*	*				-166.1	149	-50.8	-130.8	-179.7	0	0	0	104.7
784	Q	36.8	Very low	35.1	Very low	122 Å²	122	116.2 Å²	116.2	57%	0.57	68%	0.678	S	S	*	*			cis	-155.2	179.2	-3.1	-152.7	-179	96.9	0	0	107.9
785	Q	37.5	Very low	35.1	Very low	148 Å²	148	116.9 Å²	116.9	69%	0.692	68%	0.68	S	S	*	*			trans	72.1	135.2	157.6	-69.1	166.6	27.3	0	0	118.3
786	S	36.3	Very low	35	Very low	102 Å²	102	117.5 Å²	117.5	71%	0.713	68%	0.681	S	S	*	*			cis	-158.6	162.8	-4.6	65.8	0	0	0	0	110.3
787	A	37.7	Very low	34.8	Very low	72 Å²	72	120 Å²	120	60%	0.595	68%	0.683	S	S	*	*	S	Bend	cis	-153.2	158.2	1.7	0	0	0	0	0	108.9
788	Q	38.1	Very low	34.8	Very low	193 Å²	193	119.1 Å²	119.1	90%	0.902	69%	0.687	S	S	*	*	S	Bend	cis	-132.3	91.6	3.1	-70.7	-179.5	-12	0	0	111
789	Q	42	Very low	34.8	Very low	91 Å²	91	117.9 Å²	117.9	43%	0.425	69%	0.686	S	S	.	*			cis	-149	65.6	-22	-161.8	167.4	106.8	0	0	111.2
790	P	29.6	Very low	34.7	Very low	108 Å²	108	120.2 Å²	120.2	70%	0.701	69%	0.694	S	S	*	*			trans	-89.4	129.3	-169.1	33.8	-33.2	0	0	0	114.4
791	S	26.2	Very low	34.8	Very low	103 Å²	103	120.9 Å²	120.9	72%	0.72	70%	0.695	S	S	*	*			trans	68.6	156.7	150.6	67.1	0	0	0	0	121.6
792	V	34.9	Very low	34.4	Very low	125 Å²	125	122.6 Å²	122.6	76%	0.758	71%	0.709	S	S	*	*			trans	78.7	160.5	164.8	-33.1	0	0	0	0	117.5
793	P	33.8	Very low	34.2	Very low	107 Å²	107	125.8 Å²	125.8	70%	0.695	73%	0.726	S	S	*	*				-142	-173.3	-108.6	36.7	-11.3	0	0	0	118.2	E782	E782-P793 CarbonylContact O-C 3.52Å; E782-P793 WeakPolarHBondContact O-CA 3.42Å
794	V	29.6	Very low	34	Very low	89 Å²	89	124.8 Å²	124.8	54%	0.539	73%	0.73	S	S	.	*			trans	-42.7	137.9	177.9	178.3	0	0	0	0	118	E782	E782-V794 HydrophobicContact CB-CG2 4.42Å; E782-V794 VanDerWaalsContact O-CG2 3.31Å; E782-V794 WeakPolarHBondContact O-CG2 3.38Å; E782-V794 PolarHBondContact O-N 3.27Å
795	T	37.9	Very low	34	Very low	142 Å²	142	124.9 Å²	124.9	87%	0.871	74%	0.742	S	S	*	*				-169.6	151.9	127.2	-74.3	0	0	0	0	112.7
796	M	30.1	Very low	33.7	Very low	165 Å²	165	124.7 Å²	124.7	81%	0.813	75%	0.751	S	S	*	*			trans	-88.2	169.8	-162.9	-92.6	-92	-166.8	0	0	118.3
797	I	29.6	Very low	33.6	Very low	164 Å²	164	125.6 Å²	125.6	84%	0.841	76%	0.757	S	S	*	*			trans	96.4	130.5	154.3	-68.4	139.7	0	0	0	120.5
798	A	35.1	Very low	33.4	Very low	93 Å²	93	126.9 Å²	126.9	77%	0.769	77%	0.768	S	S	*	*			trans	102.5	100.6	163.8	0	0	0	0	0	116.4
799	N	32.2	Very low	33.1	Very low	139 Å²	139	125.4 Å²	125.4	74%	0.743	76%	0.761	S	S	*	*			cis	131.4	137.4	2.7	-171.8	27.9	0	0	0	109.5
800	I	32.5	Very low	32.8	Very low	149 Å²	149	126.5 Å²	126.5	76%	0.764	78%	0.776	S	S	*	*			trans	67.3	154.7	169.7	40.4	-177.1	0	0	0	120.4
801	P	37.6	Very low	32.7	Very low	123 Å²	123	128.2 Å²	128.2	80%	0.799	78%	0.775	S	S	*	*			trans	-137.2	-178.3	-133.1	46.1	-30.4	0	0	0	117.3
802	A	31.3	Very low	33.4	Very low	94 Å²	94	128.5 Å²	128.5	78%	0.777	77%	0.774	S	S	*	*			trans	-171.5	137	142.4	0	0	0	0	0	116.1
803	M	32.3	Very low	33.2	Very low	185 Å²	185	128.3 Å²	128.3	91%	0.911	77%	0.773	S	S	*	*			trans	16.6	132.4	145.6	-53.9	-178.5	72.8	0	0	123.1
804	S	31.9	Very low	33.4	Very low	106 Å²	106	130.4 Å²	130.4	74%	0.741	78%	0.778	S	S	*	*			trans	-75.8	155.2	156.1	58.7	0	0	0	0	112.4
805	P	38.7	Very low	33.6	Very low	125 Å²	125	130.1 Å²	130.1	81%	0.812	78%	0.779	S	S	*	*				-152	177.8	82.7	41.4	-22.5	0	0	0	117.9
806	T	30.7	Very low	33.7	Very low	143 Å²	143	129.1 Å²	129.1	88%	0.877	78%	0.775	S	S	*	*			trans	-39.9	134.3	176.6	-42.6	0	0	0	0	119.5
807	S	34.7	Very low	33.7	Very low	121 Å²	121	126.6 Å²	126.6	85%	0.846	77%	0.769	S	S	*	*			trans	-160.4	176.6	146.6	62.3	0	0	0	0	111.7
808	A	32.7	Very low	33.9	Very low	99 Å²	99	124.3 Å²	124.3	82%	0.818	77%	0.768	S	S	*	*			trans	-113.8	176.8	-163.4	0	0	0	0	0	116.7
809	Q	30.8	Very low	33.6	Very low	162 Å²	162	124.4 Å²	124.4	76%	0.757	77%	0.769	S	S	*	*			trans	-44.9	165	169.7	-103	-171.7	-0.4	0	0	115.5
810	P	36.8	Very low	33.7	Very low	114 Å²	114	122.2 Å²	122.2	74%	0.74	77%	0.77	S	S	*	*			cis	-151	168.9	45.5	43.1	-22.2	0	0	0	120.9
811	Q	26.4	Very low	34	Very low	145 Å²	145	120.3 Å²	120.3	68%	0.678	77%	0.765	S	S	*	*			trans	9.9	166.2	135.6	-62.7	-80.5	-28.1	0	0	121.1
812	P	40.9	Very low	33.6	Very low	108 Å²	108	120.1 Å²	120.1	70%	0.701	76%	0.763	S	S	*	*			cis	-112.2	-153.7	-0.3	22.7	2.4	0	0	0	110
813	V	32	Very low	34.1	Very low	122 Å²	122	121.5 Å²	121.5	74%	0.739	76%	0.762	S	S	*	*			cis	-142	173.6	15.4	-66.5	0	0	0	0	108.9
814	L	37.7	Very low	34.7	Very low	151 Å²	151	118.2 Å²	118.2	79%	0.791	76%	0.755	S	S	*	*			cis	-137.4	-150	17.3	-129.6	-171.5	0	0	0	111.5
815	S	34.2	Very low	34.9	Very low	82 Å²	82	119.4 Å²	119.4	57%	0.573	76%	0.757	S	S	*	*			trans	-152.3	168.2	-170.1	49.9	0	0	0	0	110.7
816	P	40.3	Very low	34.8	Very low	121 Å²	121	119.1 Å²	119.1	79%	0.786	75%	0.754	S	S	*	*			cis	-125.6	157.3	17.8	40	-24.3	0	0	0	116.6
817	T	28.8	Very low	34.9	Very low	113 Å²	113	120.4 Å²	120.4	69%	0.693	75%	0.752	S	S	*	*			cis	85.2	96.7	18	-48.2	0	0	0	0	116.7
818	S	33.8	Very low	34.7	Very low	116 Å²	116	122.3 Å²	122.3	81%	0.811	75%	0.751	S	S	*	*				-172.2	127.6	125.8	-79.5	0	0	0	0	108.5
819	A	29.8	Very low	34.7	Very low	95 Å²	95	125 Å²	125	79%	0.785	75%	0.746	S	S	*	*			cis	90.2	98.6	45.8	0	0	0	0	0	113.4
820	A	34.8	Very low	34.7	Very low	93 Å²	93	122.7 Å²	122.7	77%	0.769	74%	0.743	S	S	*	*			trans	-162.8	101.6	154.6	0	0	0	0	0	106.9
821	V	37.7	Very low	34.7	Very low	109 Å²	109	122.2 Å²	122.2	66%	0.661	74%	0.74	S	S	*	*				85.4	107.7	73.2	167.4	0	0	0	0	112.8	V823	V821-V823 HydrophobicContact CG1-CB 4.39Å; V821-V823 HydrophobicContact CG1-CG1 3.78Å
822	P	29.8	Very low	34.7	Very low	118 Å²	118	125 Å²	125	77%	0.766	75%	0.75	S	S	*	*	S	Bend	trans	-76.8	115.4	141.8	31.8	-27.6	0	0	0	108.6
823	V	41.5	Very low	34.5	Very low	124 Å²	124	124.5 Å²	124.5	75%	0.752	75%	0.746	S	S	*	*			trans	-71.1	150.1	171.2	-95	0	0	0	0	110.1	V821	V821-V823 HydrophobicContact CG1-CB 4.39Å; V821-V823 HydrophobicContact CG1-CG1 3.78Å
824	P	45	Very low	34.5	Very low	116 Å²	116	123.6 Å²	123.6	75%	0.753	75%	0.745	S	S	*	*			cis	-147.3	160.5	33.7	40.8	-21.5	0	0	0	118.8
825	T	36.6	Very low	33.9	Very low	130 Å²	130	124.4 Å²	124.4	80%	0.798	75%	0.745	S	S	*	*			trans	-155.4	138.9	165.7	-24.8	0	0	0	0	114.3
826	T	35.3	Very low	33.7	Very low	119 Å²	119	127.3 Å²	127.3	73%	0.73	75%	0.753	S	S	*	*			trans	49.1	136.1	155.5	40.5	0	0	0	0	120.8
827	M	34	Very low	33.5	Very low	171 Å²	171	126.5 Å²	126.5	84%	0.842	75%	0.748	S	S	*	*	S	Bend	cis	-135	151	-7.1	-54.9	-172.4	170.3	0	0	106.4
828	I	31.1	Very low	33.5	Very low	161 Å²	161	125 Å²	125	83%	0.826	74%	0.738	S	S	*	*	S	Bend	cis	-149.7	152.1	31.2	-66.7	172.8	0	0	0	108
829	H	30.6	Very low	33.5	Very low	155 Å²	155	123 Å²	123	72%	0.718	72%	0.716	S	S	*	*			cis	-177	107.9	-26.5	179.1	90.6	0	0	0	109.4
830	V	32.7	Very low	33.7	Very low	113 Å²	113	121.6 Å²	121.6	69%	0.685	70%	0.695	S	S	*	*			trans	70	149.7	149.4	177.7	0	0	0	0	117.8
831	P	36.4	Very low	33.5	Very low	105 Å²	105	122.5 Å²	122.5	68%	0.682	69%	0.691	S	S	*	*			cis	-134.2	157.4	-27.2	36.4	-18.7	0	0	0	117.2
832	K	25.3	Very low	33.4	Very low	203 Å²	203	120.9 Å²	120.9	88%	0.883	69%	0.689	S	S	*	*			trans	56.7	-176.9	154.9	-97.4	-164.6	171.5	-175.1	0	117.3
833	P	37.7	Very low	33.6	Very low	97 Å²	97	121.5 Å²	121.5	63%	0.63	69%	0.691	S	S	*	*				-129	172.8	-58.2	37.7	-21.8	0	0	0	114.8
834	S	30.8	Very low	33.1	Very low	103 Å²	103	122.1 Å²	122.1	72%	0.72	70%	0.695	S	S	*	*			trans	64.1	140.2	151.6	43.7	0	0	0	0	123
835	E	26	Very low	32.5	Very low	168 Å²	168	121 Å²	121	79%	0.785	70%	0.696	S	S	*	*			trans	54	124.9	149.6	-67.2	-171.7	119.9	0	0	124.1
836	I	30	Very low	32.4	Very low	143 Å²	143	119.2 Å²	119.2	73%	0.733	69%	0.694	S	S	*	*				43.9	137.6	118.8	-55.1	172.1	0	0	0	118.7
837	P	37	Very low	32.9	Very low	105 Å²	105	118.5 Å²	118.5	68%	0.682	69%	0.691	S	S	*	*			cis	-140.9	-179.5	-14	36.5	-13.9	0	0	0	118.2
838	V	28.7	Very low	32.9	Very low	81 Å²	81	114.3 Å²	114.3	49%	0.491	68%	0.675	S	S	.	*			trans	62.3	99.9	153.2	-67.8	0	0	0	0	127.5	V1090	V838-V1090 HydrophobicContact CB-CG1 4.05Å; V838-V1090 HydrophobicContact CB-CG2 4.17Å; V838-V1090 HydrophobicContact CG2-CG1 4.11Å; V838-V1090 HydrophobicContact CG2-CG2 3.76Å; V838-V1090 WeakPolarHBondContact O-CG2 3.46Å
839	Q	33.3	Very low	33	Very low	74 Å²	74	110.7 Å²	110.7	35%	0.346	67%	0.669	S	S	.	*				68.1	175	113.6	-60.3	171.9	-21.5	0	0	124.9	K1089 V1090 S1091 Q1092	Q839-K1089 CarbonylContact O-C 3.57Å; Q839-V1090 VanDerWaalsContact C-CA 3.42Å; Q839-V1090 VanDerWaalsContact C-N 3.29Å; Q839-V1090 VanDerWaalsContact O-CA 3.31Å; Q839-V1090 WeakPolarHBondContact O-CA 3.39Å; Q839-V1090 PolarHBondContact O-N 3.21Å; Q839-S1091 VanDerWaalsContact CB-C 3.42Å; Q839-S1091 VanDerWaalsContact CB-CA 3.45Å; Q839-S1091 WeakPolarHBondContact CB-O 3.29Å; Q839-S1091 VanDerWaalsContact OE1-CA 3.32Å; Q839-Q1092 VanDerWaalsContact CG-O 3.26Å; Q839-Q1092 WeakPolarHBondContact CG-O 3.23Å; Q839-Q1092 PolarHBondContact NE2-O 3.38Å; Q839-Q1092 VanDerWaalsContact NE2-O 3.16Å
840	N	32.7	Very low	33.1	Very low	66 Å²	66	107.5 Å²	107.5	35%	0.353	67%	0.669	S	S	.	*			trans	124	106	172	-72.7	-10.3	0	0	0	126.2	K1089 V1090 S1091	N840-K1089 WeakPolarHBondContact CB-O 3.44Å; N840-V1090 VanDerWaalsContact CB-N 3.26Å; N840-V1090 VanDerWaalsContact ND2-C 3.26Å; N840-V1090 PolarHBondContact ND2-O 3.14Å; N840-S1091 WeakPolarHBondContact CA-O 3.49Å; N840-S1091 VanDerWaalsContact CG-CA 3.5Å; N840-S1091 VanDerWaalsContact CG-O 3.3Å; N840-S1091 VanDerWaalsContact N-N 3.11Å; N840-S1091 PolarHBondContact N-O 3.47Å; N840-S1091 WeakPolarHBondContact ND2-CB 3.48Å; N840-S1091 PolarHBondContact ND2-N 3.44Å; N840-S1091 PolarHBondContact ND2-OG 2.97Å; N840-S1091 VanDerWaalsContact ND2-OG 3.07Å; N840-S1091 VanDerWaalsContact OD1-C 3.26Å; N840-S1091 WeakPolarHBondContact OD1-CA 3.23Å; N840-S1091 VanDerWaalsContact OD1-CB 3.24Å; N840-S1091 WeakPolarHBondContact OD1-CB 3.24Å; N840-S1091 PolarHBondContact OD1-N 3.34Å; N840-S1091 PolarHBondContact OD1-O 3.01Å
841	V	32.4	Very low	33.2	Very low	112 Å²	112	108.7 Å²	108.7	68%	0.679	67%	0.672	S	S	*	*				28.4	138.1	124	146.8	0	0	0	0	119.9
842	A	33.9	Very low	33.1	Very low	74 Å²	74	109.8 Å²	109.8	61%	0.612	67%	0.672	S	S	*	*			cis	-166.9	165	-14.7	0	0	0	0	0	112.9
843	T	34.3	Very low	33.4	Very low	131 Å²	131	106.2 Å²	106.2	80%	0.804	67%	0.667	S	S	*	*			trans	-4.4	131.8	150.4	-14.6	0	0	0	0	116.4
844	T	32	Very low	33.7	Very low	138 Å²	138	107 Å²	107	85%	0.847	67%	0.672	S	S	*	*				-140.6	-158.6	58.8	47.7	0	0	0	0	112.5
845	A	31.7	Very low	34	Very low	93 Å²	93	108.2 Å²	108.2	77%	0.769	68%	0.677	S	S	*	*			cis	-159.1	-169.5	14.7	0	0	0	0	0	114.5
846	A	35.3	Very low	34.2	Very low	91 Å²	91	105.5 Å²	105.5	75%	0.752	68%	0.677	S	S	*	*			trans	-149.8	-157.7	175	0	0	0	0	0	107.3
847	P	44.7	Very low	34.5	Very low	104 Å²	104	104.5 Å²	104.5	68%	0.675	68%	0.68	S	S	*	*			cis	-146.2	-159.9	0.8	31.7	-3.6	0	0	0	116.2
848	V	33.5	Very low	34.3	Very low	84 Å²	84	103.8 Å²	103.8	51%	0.509	68%	0.683	S	S	.	*			trans	66	145	161.4	-94.6	0	0	0	0	120.3
849	A	33.4	Very low	35.1	Very low	84 Å²	84	104.4 Å²	104.4	69%	0.694	69%	0.689	S	S	*	*			cis	-140.1	-172.3	1	0	0	0	0	0	110.1
850	A	33.4	Very low	35	Very low	88 Å²	88	109.5 Å²	109.5	73%	0.727	71%	0.71	S	S	*	*			cis	-150.9	-156.1	9.1	0	0	0	0	0	108.6
851	N	35.6	Very low	34.7	Very low	138 Å²	138	114.6 Å²	114.6	74%	0.738	73%	0.729	S	S	*	*			cis	-159.3	173.9	4.7	-154.2	7.5	0	0	0	113.2
852	N	33.7	Very low	34.9	Very low	128 Å²	128	115.2 Å²	115.2	68%	0.684	73%	0.733	S	S	*	*			trans	5.9	109	160.3	-70.8	-8.2	0	0	0	122.5
853	V	32.4	Very low	34.8	Very low	129 Å²	129	119.6 Å²	119.6	78%	0.782	74%	0.741	S	S	*	*				53.1	130.5	104.4	177.5	0	0	0	0	120.5
854	P	44	Very low	34.4	Very low	114 Å²	114	120.2 Å²	120.2	74%	0.74	74%	0.74	S	S	*	*			trans	-87.7	174.2	176.6	39	-39.1	0	0	0	114.5
855	P	36.4	Very low	34.3	Very low	127 Å²	127	119.8 Å²	119.8	83%	0.825	73%	0.731	S	S	*	*				-148.5	175.8	109.2	40.2	-25.4	0	0	0	115.6
856	S	30	Very low	34.1	Very low	111 Å²	111	124.2 Å²	124.2	78%	0.776	74%	0.736	S	S	*	*			trans	-104.6	146.2	170.4	174.8	0	0	0	0	111.6
857	P	36	Very low	34	Very low	122 Å²	122	126 Å²	126	79%	0.792	74%	0.737	S	S	*	*			trans	-141.5	173.2	134	39	-25.6	0	0	0	114.3
858	A	33.5	Very low	34.1	Very low	91 Å²	91	126.5 Å²	126.5	75%	0.752	74%	0.74	S	S	*	*			trans	-151.3	-179.6	174.5	0	0	0	0	0	108.7
859	P	45.3	Very low	34.1	Very low	93 Å²	93	129.1 Å²	129.1	60%	0.604	76%	0.757	S	S	*	*			cis	-132.1	-161	-9.6	22.9	3.5	0	0	0	113.5
860	F	31.3	Very low	34.2	Very low	182 Å²	182	132.5 Å²	132.5	80%	0.798	76%	0.762	S	S	*	*			trans	87.4	146.1	160.2	-54.2	-54.7	0	0	0	119.6
861	K	27	Very low	34	Very low	172 Å²	172	132.6 Å²	132.6	75%	0.748	76%	0.763	S	S	*	*			cis	-173.3	129.2	-30	-143.6	-170.7	-175.5	-161.8	0	112
862	T	35.7	Very low	33.6	Very low	126 Å²	126	134 Å²	134	77%	0.773	77%	0.766	S	S	*	*			trans	-173.2	119.9	156.1	18.4	0	0	0	0	106.4
863	E	31.2	Very low	33.3	Very low	166 Å²	166	134.5 Å²	134.5	78%	0.776	77%	0.768	S	S	*	*				69.6	124.1	74.9	-69.4	175.3	-175.3	0	0	112.5
864	D	26.8	Very low	33.2	Very low	144 Å²	144	134.9 Å²	134.9	77%	0.77	77%	0.771	S	S	*	*			cis	-158.1	172.7	9.2	-160.1	3.2	0	0	0	113.4
865	I	29.6	Very low	32.7	Very low	129 Å²	129	135.7 Å²	135.7	66%	0.662	77%	0.773	S	S	*	*			trans	81	124.3	161.2	-58.6	177	0	0	0	120.3
866	Q	28.4	Very low	32.7	Very low	186 Å²	186	135 Å²	135	87%	0.869	77%	0.769	S	S	*	*			trans	75.7	144.8	155.7	-78.2	167.3	16.3	0	0	123.6
867	T	31.5	Very low	32.7	Very low	129 Å²	129	136.9 Å²	136.9	79%	0.791	76%	0.759	S	S	*	*			trans	-71.6	168.4	169.2	50.9	0	0	0	0	113.6
868	P	46.7	Very low	32.3	Very low	113 Å²	113	135.4 Å²	135.4	73%	0.734	75%	0.748	S	S	*	*			cis	-130	-176	-6.7	42	-26.8	0	0	0	113.7
869	T	34.4	Very low	32	Very low	140 Å²	140	135.9 Å²	135.9	86%	0.859	74%	0.737	S	S	*	*			trans	166	170.8	151.1	29.5	0	0	0	0	110.9
870	L	34.3	Very low	31.4	Very low	154 Å²	154	135 Å²	135	81%	0.806	73%	0.733	S	S	*	*			cis	-172.8	122.4	-47.6	178.6	74.3	0	0	0	110.2
871	A	30	Very low	31.8	Very low	91 Å²	91	133.3 Å²	133.3	75%	0.752	74%	0.737	S	S	*	*			trans	59.4	158.2	164.3	0	0	0	0	0	118.3
872	Q	28.3	Very low	32	Very low	168 Å²	168	132.6 Å²	132.6	79%	0.785	74%	0.742	S	S	*	*			cis	-152.6	151.9	2.7	-144.2	172.4	21.8	0	0	111
873	N	27	Very low	31.6	Very low	138 Å²	138	130.3 Å²	130.3	74%	0.738	74%	0.736	S	S	*	*			trans	44.9	114.7	160.6	-64.5	-7	0	0	0	121.6
874	T	29.5	Very low	31.4	Very low	136 Å²	136	126.3 Å²	126.3	83%	0.834	73%	0.726	S	S	*	*				166.7	119.1	104.2	-65.8	0	0	0	0	112.2
875	V	34.3	Very low	31.4	Very low	131 Å²	131	122.5 Å²	122.5	79%	0.794	72%	0.721	S	S	*	*			trans	-68.5	162.1	169.7	-110.2	0	0	0	0	111.1
876	P	35.8	Very low	31.2	Very low	113 Å²	113	123.7 Å²	123.7	73%	0.734	73%	0.728	S	S	*	*			cis	-143.2	-176.4	36	46.9	-27.5	0	0	0	114.9
877	R	30	Very low	31.3	Very low	150 Å²	150	121.7 Å²	121.7	57%	0.566	73%	0.728	S	S	*	*			cis	-154.2	138.4	9	-145	159.4	-171.7	-177.4	0	111	T983	R877-T983 PolarHBondContact NH1-O 2.76Å
878	T	27.8	Very low	31.1	Very low	92 Å²	92	120.7 Å²	120.7	56%	0.564	72%	0.716	S	S	*	*			trans	43.7	108.4	147.9	54.9	0	0	0	0	118.9	S880	T878-S880 VanDerWaalsContact CB-OG 3.29Å; T878-S880 WeakPolarHBondContact CB-OG 3.42Å; T878-S880 WeakPolarHBondContact CG2-OG 3.32Å
879	I	27.8	Very low	30.4	Very low	101 Å²	101	121.9 Å²	121.9	52%	0.518	72%	0.717	S	S	.	*				-130.5	165.1	103.3	-42.6	84.3	0	0	0	107.2	D882 A883	I879-D882 CarbonylContact O-C 3.6Å; I879-A883 WeakPolarHBondContact O-CA 3.41Å; I879-A883 PolarHBondContact O-N 2.99Å
880	S	31.5	Very low	30.2	Very low	74 Å²	74	120.3 Å²	120.3	52%	0.517	71%	0.707	S	S	.	*	T	Hydrogen-bonded Turn		166.8	114.6	-79.4	-77.1	0	0	0	0	109.2	T878 D882 A883	T878-S880 VanDerWaalsContact CB-OG 3.29Å; T878-S880 WeakPolarHBondContact CB-OG 3.42Å; T878-S880 WeakPolarHBondContact CG2-OG 3.32Å; S880-D882 VanDerWaalsContact CA-N 3.31Å; S880-A883 PolarHBondContact N-O 3.27Å
881	T	40.5	Very low	30.3	Very low	146 Å²	146	118.3 Å²	118.3	90%	0.896	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	cis	-73.6	97.2	-6.6	48	0	0	0	0	110.8
882	D	30.3	Very low	30.4	Very low	157 Å²	157	118.7 Å²	118.7	84%	0.84	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.6	119.5	-164.9	-74	-38.8	0	0	0	116.7	I879 S880	I879-D882 CarbonylContact O-C 3.6Å; S880-D882 VanDerWaalsContact CA-N 3.31Å
883	A	27.7	Very low	30.6	Very low	79 Å²	79	115.5 Å²	115.5	65%	0.653	70%	0.703	S	S	*	*			trans	62.7	145.9	-175.8	0	0	0	0	0	116.6	I879 S880	I879-A883 WeakPolarHBondContact O-CA 3.41Å; I879-A883 PolarHBondContact O-N 2.99Å; S880-A883 PolarHBondContact N-O 3.27Å
884	S	27	Very low	30.8	Very low	82 Å²	82	116.4 Å²	116.4	57%	0.573	71%	0.706	S	S	*	*			trans	-100	155.6	162.7	-150.9	0	0	0	0	109
885	G	26.7	Very low	30.9	Very low	63 Å²	63	114.6 Å²	114.6	65%	0.649	71%	0.705	S	S	*	*			trans	-53	154.7	-171.9	0	0	0	0	0	117.1
886	L	25.4	Very low	30.8	Very low	155 Å²	155	113.7 Å²	113.7	81%	0.812	70%	0.704	S	S	*	*			trans	-82.8	107.7	136.6	-94.1	74.1	0	0	0	108.3	I888	L886-I888 HydrophobicContact CB-CD1 4.21Å; L886-I888 HydrophobicContact CB-CG1 3.97Å; L886-I888 HydrophobicContact CD2-CD1 3.97Å; L886-I888 HydrophobicContact CD2-CG1 4.34Å
887	V	32	Very low	30.9	Very low	144 Å²	144	113.6 Å²	113.6	87%	0.873	70%	0.704	S	S	*	*			trans	-72.4	126.5	153.3	175	0	0	0	0	106.9
888	I	27.1	Very low	30.8	Very low	107 Å²	107	112 Å²	112	55%	0.549	72%	0.716	S	S	.	*			trans	-129.9	96.9	175.2	-47.6	-176.8	0	0	0	110.1	L886 T890	L886-I888 HydrophobicContact CB-CD1 4.21Å; L886-I888 HydrophobicContact CB-CG1 3.97Å; L886-I888 HydrophobicContact CD2-CD1 3.97Å; L886-I888 HydrophobicContact CD2-CG1 4.34Å; I888-T890 HydrophobicContact CG2-CG2 3.62Å
889	N	30.3	Very low	31.2	Very low	139 Å²	139	113.4 Å²	113.4	74%	0.743	73%	0.726	S	S	*	*				-167.8	89.7	118.9	-90.1	-30	0	0	0	107.7
890	T	31.9	Very low	31.5	Very low	106 Å²	106	113.1 Å²	113.1	65%	0.65	74%	0.739	S	S	*	*				76.6	151.9	74.3	64	0	0	0	0	113.3	I888	I888-T890 HydrophobicContact CG2-CG2 3.62Å
891	P	35.2	Very low	31.6	Very low	112 Å²	112	114.9 Å²	114.9	73%	0.727	75%	0.749	S	S	*	*			cis	-129.1	165.6	-3.4	38.5	-22.9	0	0	0	116.1
892	A	33.3	Very low	31.1	Very low	99 Å²	99	113.1 Å²	113.1	82%	0.818	74%	0.742	S	S	*	*			trans	62.6	149.3	142.9	0	0	0	0	0	121.8
893	S	31.3	Very low	31	Very low	102 Å²	102	109.8 Å²	109.8	71%	0.713	74%	0.736	S	S	*	*			cis	-169.4	168.8	-25	-156.8	0	0	0	0	111
894	I	31.7	Very low	31.2	Very low	157 Å²	157	112 Å²	112	81%	0.805	74%	0.742	S	S	*	*			trans	76.6	127.9	157.3	-68.5	157.6	0	0	0	120
895	A	32.3	Very low	31.2	Very low	98 Å²	98	114.4 Å²	114.4	81%	0.81	75%	0.749	S	S	*	*			trans	73.5	134.5	152.4	0	0	0	0	0	122.7
896	S	31.2	Very low	31.4	Very low	111 Å²	111	117.4 Å²	117.4	78%	0.776	75%	0.754	S	S	*	*			trans	-121.4	-178.9	166.2	50.5	0	0	0	0	108.3
897	P	38.2	Very low	31.6	Very low	112 Å²	112	114.4 Å²	114.4	73%	0.727	75%	0.751	S	S	*	*			cis	-136.7	145.8	-24.5	29.8	-9.7	0	0	0	115.3
898	S	28.6	Very low	31.8	Very low	117 Å²	117	113 Å²	113	82%	0.818	75%	0.748	S	S	*	*			trans	64.3	170.9	154.7	-150.5	0	0	0	0	118
899	P	35.6	Very low	32.4	Very low	120 Å²	120	113.7 Å²	113.7	78%	0.779	76%	0.758	S	S	*	*				-102.6	-173.5	-51.5	35.9	-24.5	0	0	0	112
900	A	34	Very low	32.9	Very low	95 Å²	95	113.7 Å²	113.7	79%	0.785	76%	0.763	S	S	*	*			trans	-63	152.5	178.3	0	0	0	0	0	113.2
901	P	34.4	Very low	33	Very low	112 Å²	112	113.1 Å²	113.1	73%	0.727	77%	0.768	S	S	*	*				-148.5	161.5	69.1	41.1	-23	0	0	0	118.9
902	S	28.1	Very low	33.1	Very low	108 Å²	108	113.3 Å²	113.3	76%	0.755	77%	0.77	S	S	*	*			trans	60.4	127.3	144.9	60.2	0	0	0	0	123.4
903	A	29.8	Very low	33.3	Very low	87 Å²	87	114.7 Å²	114.7	72%	0.719	77%	0.768	S	S	*	*			trans	87.2	116.2	140.8	0	0	0	0	0	121
904	T	30.5	Very low	33.4	Very low	126 Å²	126	115.9 Å²	115.9	77%	0.773	77%	0.771	S	S	*	*			trans	40.5	136.5	132.3	52.8	0	0	0	0	121.2
905	D	28	Very low	33.6	Very low	133 Å²	133	114.1 Å²	114.1	71%	0.711	77%	0.77	S	S	*	*			cis	-167.5	-175.4	-5.7	-140.4	-35.8	0	0	0	111.5
906	V	30.4	Very low	33.6	Very low	126 Å²	126	114 Å²	114	76%	0.764	77%	0.768	S	S	*	*			trans	-15.6	157.6	164.9	-72.3	0	0	0	0	120.4
907	A	30.5	Very low	33.8	Very low	91 Å²	91	114.5 Å²	114.5	75%	0.752	77%	0.769	S	S	*	*			cis	-175.9	173.4	-17.9	0	0	0	0	0	108.9
908	S	35.5	Very low	33.2	Very low	116 Å²	116	116 Å²	116	81%	0.811	78%	0.777	S	S	*	*			trans	-111.3	99	-175.6	-56.3	0	0	0	0	115.8
909	T	38.8	Very low	33.7	Very low	121 Å²	121	115.9 Å²	115.9	74%	0.742	77%	0.773	S	S	*	*			trans	65.7	105.2	134.3	-36.6	0	0	0	0	121.8
910	T	41.6	Very low	33.3	Very low	139 Å²	139	117 Å²	117	85%	0.853	78%	0.778	S	S	*	*			trans	74.8	119.2	148.4	54	0	0	0	0	123.1
911	A	34.5	Very low	33.1	Very low	93 Å²	93	118.5 Å²	118.5	77%	0.769	78%	0.777	S	S	*	*			trans	-86.4	-168.7	178.9	0	0	0	0	0	113.9
912	P	37.8	Very low	32.8	Very low	117 Å²	117	118.9 Å²	118.9	76%	0.76	78%	0.778	S	S	*	*			cis	-138.2	-171.5	-2.4	34.5	-11.2	0	0	0	117.3
913	V	37.1	Very low	32.6	Very low	127 Å²	127	119.4 Å²	119.4	77%	0.77	78%	0.776	S	S	*	*			trans	94.2	79.3	166.9	-165	0	0	0	0	117.9
914	T	33.2	Very low	32.4	Very low	128 Å²	128	123 Å²	123	79%	0.785	78%	0.784	S	S	*	*			trans	18.5	153	135.6	44.3	0	0	0	0	123.4
915	P	34.9	Very low	32.2	Very low	120 Å²	120	120.9 Å²	120.9	78%	0.779	79%	0.787	S	S	*	*			cis	-132.6	-173.1	11.9	41.9	-25.4	0	0	0	116.5
916	A	33.4	Very low	32.1	Very low	94 Å²	94	118.1 Å²	118.1	78%	0.777	79%	0.79	S	S	*	*			trans	83	136.6	172.4	0	0	0	0	0	116.9
917	P	34.6	Very low	31.9	Very low	122 Å²	122	117.2 Å²	117.2	79%	0.792	80%	0.795	S	S	*	*				-137.5	154.4	-127.5	37.8	-18.9	0	0	0	118.4
918	T	26.6	Very low	31.8	Very low	145 Å²	145	117.4 Å²	117.4	89%	0.89	80%	0.797	S	S	*	*			trans	-135.3	162.3	161.4	28.4	0	0	0	0	109.9
919	P	37.4	Very low	31.5	Very low	114 Å²	114	116.9 Å²	116.9	74%	0.74	80%	0.8	S	S	*	*			trans	-111.2	167.2	-137.3	40.3	-37.9	0	0	0	117.2
920	T	27.6	Very low	30.9	Very low	143 Å²	143	115.4 Å²	115.4	88%	0.877	80%	0.8	S	S	*	*			trans	-164.9	166	138.1	5.9	0	0	0	0	112.6
921	T	30.9	Very low	30.1	Very low	127 Å²	127	114 Å²	114	78%	0.779	80%	0.796	S	S	*	*			trans	-62.7	156.6	-176.1	43.7	0	0	0	0	114.1
922	T	26.8	Very low	29.8	Very low	119 Å²	119	115.6 Å²	115.6	73%	0.73	80%	0.796	S	S	*	*			cis	-164.5	169.4	49.1	-43.8	0	0	0	0	112.4
923	T	25.8	Very low	29.4	Very low	119 Å²	119	115.9 Å²	115.9	73%	0.73	80%	0.796	S	S	*	*			trans	79.4	120.8	160.6	17.6	0	0	0	0	120.5
924	D	24.2	Very low	29.1	Very low	163 Å²	163	116 Å²	116	87%	0.872	80%	0.797	S	S	*	*			trans	32.5	133	145.8	-59.6	-35.4	0	0	0	123.3
925	G	26.1	Very low	28.7	Very low	81 Å²	81	117.6 Å²	117.6	84%	0.835	80%	0.796	S	S	*	*			trans	139.2	92.9	139	0	0	0	0	0	119.7
926	G	25.4	Very low	28.4	Very low	76 Å²	76	120.2 Å²	120.2	78%	0.784	80%	0.803	S	S	*	*				79.1	99	129	0	0	0	0	0	122.6
927	A	27.5	Very low	28.1	Very low	106 Å²	106	123.8 Å²	123.8	88%	0.876	80%	0.801	S	S	*	*				80.4	134	126.7	0	0	0	0	0	124.1
928	A	28.6	Very low	27.7	Very low	96 Å²	96	121.8 Å²	121.8	79%	0.793	78%	0.781	S	S	*	*			trans	89.1	113.7	139.6	0	0	0	0	0	122.4
929	A	28.3	Very low	27.7	Very low	104 Å²	104	121.8 Å²	121.8	86%	0.86	77%	0.771	S	S	*	*			trans	65.3	135.8	142.1	0	0	0	0	0	120.2
930	A	27	Very low	27.1	Very low	91 Å²	91	126.5 Å²	126.5	75%	0.752	78%	0.78	S	S	*	*			cis	-163.1	175	-6.1	0	0	0	0	0	112.3
931	S	25.2	Very low	27.2	Very low	109 Å²	109	129.4 Å²	129.4	76%	0.762	78%	0.775	S	S	*	*			trans	90.2	147	159.2	80.3	0	0	0	0	120.6
932	T	26.6	Very low	27.1	Very low	126 Å²	126	132.6 Å²	132.6	77%	0.773	78%	0.778	S	S	*	*			trans	71.9	140.9	167.8	39.8	0	0	0	0	122
933	T	30.4	Very low	27.4	Very low	123 Å²	123	130.5 Å²	130.5	76%	0.755	77%	0.768	S	S	*	*			trans	66	80.8	163	42.3	0	0	0	0	120
934	T	30.8	Very low	27.9	Very low	131 Å²	131	131.2 Å²	131.2	80%	0.804	77%	0.768	S	S	*	*				56.6	100.4	124.9	54.3	0	0	0	0	119.1
935	E	25.4	Very low	29	Very low	161 Å²	161	128.6 Å²	128.6	75%	0.752	75%	0.748	S	S	*	*			trans	-58	149.9	149	-61.3	175.8	98.6	0	0	111.2
936	N	27.2	Very low	31	Very low	175 Å²	175	130.5 Å²	130.5	94%	0.936	73%	0.73	S	S	*	*			trans	-108.2	126.3	149.8	-93.9	-38.8	0	0	0	106.1
937	K	27.4	Very low	33.7	Very low	168 Å²	168	132.3 Å²	132.3	73%	0.73	72%	0.716	S	S	*	*			trans	-143.4	32.3	-175.2	-151.8	-168.8	173.2	178.3	0	115.6
938	E	26.2	Very low	36.7	Very low	81 Å²	81	127.2 Å²	127.2	38%	0.379	68%	0.675	S	S	.	*			trans	-106.5	154.7	177.7	-142.4	-174.9	173.5	0	0	113.9	E1656	E938-E1656 HydrophobicContact CG-CB 4.28Å; E938-E1656 WeakPolarHBondContact OE1-CB 3.27Å
939	E	26.1	Very low	39.8	Very low	144 Å²	144	123.7 Å²	123.7	67%	0.673	64%	0.643	S	S	*	*			trans	45.8	97.3	167.5	-68.6	-151.5	107.8	0	0	120.8	R941	E939-R941 VanDerWaalsContact C-N 3.28Å; E939-R941 WeakPolarHBondContact O-CG 3.25Å; E939-R941 PolarHBondContact O-N 2.88Å
940	K	26	Very low	42.9	Very low	214 Å²	214	118.8 Å²	118.8	93%	0.93	60%	0.603	S	S	*	*				13.1	56.2	118.9	-156.9	177.1	-177.3	177.9	0	118.6	K942	K940-K942 PolarHBondContact O-N 3.35Å
941	R	29.5	Very low	46.2	Very low	203 Å²	203	115.9 Å²	115.9	77%	0.766	57%	0.573	S	S	*	*			trans	-59	103.2	-179.8	-73.7	-175.4	172.9	-174.9	-1.6	113.8	E939 S943	E939-R941 VanDerWaalsContact C-N 3.28Å; E939-R941 WeakPolarHBondContact O-CG 3.25Å; E939-R941 PolarHBondContact O-N 2.88Å; R941-S943 PolarHBondContact O-N 3.25Å
942	K	29.2	Very low	49.5	Very low	195 Å²	195	110.7 Å²	110.7	85%	0.848	54%	0.537	S	S	*	.			trans	-65.1	108.4	158	-169.7	172.2	-174.9	174.4	0	108	K940 N944	K940-K942 PolarHBondContact O-N 3.35Å; K942-N944 PolarHBondContact O-N 2.82Å
943	S	33.1	Very low	52.6	Low	74 Å²	74	108.5 Å²	108.5	52%	0.517	52%	0.52	S	S	.	.			trans	-73.6	96.4	-169.6	57.1	0	0	0	0	112.5	R941 K945	R941-S943 PolarHBondContact O-N 3.25Å; S943-K945 PolarHBondContact O-N 3.08Å
944	N	36.7	Very low	55.4	Low	135 Å²	135	103.5 Å²	103.5	72%	0.722	49%	0.493	S	S	*	.			trans	-66.4	83.9	166.7	-86.4	-0.3	0	0	0	110.1	K942 R946	K942-N944 PolarHBondContact O-N 2.82Å; N944-R946 PolarHBondContact O-N 2.69Å
945	K	46.8	Very low	58.1	Low	108 Å²	108	98.9 Å²	98.9	47%	0.47	47%	0.466	S	S	.	.			trans	-53.5	104.7	170.4	-72.7	-178.7	-177.8	-176.3	0	109.7	S943 K947 V1033	S943-K945 PolarHBondContact O-N 3.08Å; K945-K947 PolarHBondContact O-N 2.8Å; K945-V1033 HydrophobicContact CB-CG1 3.81Å; K945-V1033 HydrophobicContact CD-CG1 4.14Å; K945-V1033 HydrophobicContact CG-CG1 4.16Å
946	R	67.1	Low	60.8	Low	121 Å²	121	94.2 Å²	94.2	46%	0.457	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	109.1	-177.5	-56.2	-177.2	-173.2	-178.5	1.3	108.1	N944 L1034	N944-R946 PolarHBondContact O-N 2.69Å; R946-L1034 HydrophobicContact CB-CB 4.13Å; R946-L1034 HydrophobicContact CB-CD1 4.19Å; R946-L1034 PolarHBondContact N-O 2.86Å; R946-L1034 WeakPolarHBondContact O-CB 3.07Å; R946-L1034 PolarHBondContact O-N 3.41Å
947	K	83.4	Confident	62.9	Low	113 Å²	113	91 Å²	91	49%	0.491	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.5	178.5	-162.2	-177.5	-175.4	-173	0	109.8	K945 V949 T1032 V1033	K945-K947 PolarHBondContact O-N 2.8Å; K947-V949 HydrophobicContact CD-CG2 3.73Å; K947-V949 HydrophobicContact CG-CG2 3.75Å; K947-T1032 WeakPolarHBondContact CA-O 3.3Å; K947-V1033 HydrophobicContact CG-CG2 4.17Å
948	V	89.9	Confident	64.4	Low	0 Å²	0	87.6 Å²	87.6	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.7	169.9	-178.9	0	0	0	0	107	L968 H1003 I1006 V1007 Q1010 T1032	V948-L968 HydrophobicContact CG1-CD1 3.63Å; V948-H1003 HydrophobicContact CG2-CB 4.45Å; V948-I1006 HydrophobicContact CB-CG2 4Å; V948-I1006 HydrophobicContact CG1-CG2 4.05Å; V948-I1006 HydrophobicContact CG2-CG2 4.42Å; V948-V1007 HydrophobicContact CG1-CG2 4.12Å; V948-Q1010 PolarHBondContact O-NE2 2.73Å; V948-Q1010 VanDerWaalsContact O-NE2 3.11Å; V948-T1032 PolarHBondContact N-O 2.76Å; V948-T1032 PolarHBondContact O-N 2.85Å
949	V	93.3	Very high	65.9	Low	22 Å²	22	91.6 Å²	91.6	13%	0.133	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.4	-175.9	-173.5	0	0	0	0	110	K947 L968 D969 L1030 A1031	K947-V949 HydrophobicContact CD-CG2 3.73Å; K947-V949 HydrophobicContact CG-CG2 3.75Å; V949-L968 CarbonylContact O-C 3.56Å; V949-L968 WeakPolarHBondContact O-CA 3.41Å; V949-D969 HydrophobicContact CB-CB 4.38Å; V949-D969 PolarHBondContact N-O 2.82Å; V949-D969 PolarHBondContact O-N 3.39Å; V949-L1030 CarbonylContact C-O 3.53Å; V949-L1030 VanDerWaalsContact CA-O 3.29Å; V949-L1030 WeakPolarHBondContact CA-O 3.47Å; V949-A1031 HydrophobicContact CG2-CB 4.21Å
950	M	94.3	Very high	67.4	Low	1 Å²	1	92.4 Å²	92.4	1%	0.005	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134	173.4	-163.9	177.5	-62	0	0	109.9	C966 R967 L968 V1007 Q1010 L1011 V1014 K1029 L1030	M950-C966 HydrophobicContact CG-CB 4.32Å; M950-R967 CarbonylContact C-O 3.59Å; M950-R967 VanDerWaalsContact CA-O 3.28Å; M950-R967 WeakPolarHBondContact CA-O 2.97Å; M950-L968 HydrophobicContact CE-CD1 4.11Å; M950-V1007 HydrophobicContact CE-CB 4.42Å; M950-V1007 HydrophobicContact CE-CG1 3.89Å; M950-V1007 HydrophobicContact CE-CG2 4.45Å; M950-Q1010 HydrophobicContact CB-CB 4.42Å; M950-Q1010 HydrophobicContact CE-CB 3.67Å; M950-Q1010 HydrophobicContact SD-CB 4.08Å; M950-L1011 HydrophobicContact CE-CD2 4.47Å; M950-L1011 HydrophobicContact CE-CG 3.99Å; M950-L1011 HydrophobicContact SD-CD2 4.02Å; M950-L1011 HydrophobicContact SD-CG 4.08Å; M950-V1014 HydrophobicContact SD-CG2 3.96Å; M950-K1029 CarbonylContact O-C 3.56Å; M950-K1029 WeakPolarHBondContact O-CA 3.14Å; M950-L1030 HydrophobicContact CB-CB 4.49Å; M950-L1030 PolarHBondContact N-O 2.98Å; M950-L1030 PolarHBondContact O-N 2.97Å
951	E	95.4	Very high	69.1	Low	29 Å²	29	89.1 Å²	89.1	14%	0.136	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	123.7	-175.7	177.6	172.3	-162.4	0	0	109.8	L953 C966 R967 T1028 K1029	E951-L953 HydrophobicContact CG-CD2 4.16Å; E951-L953 PolarHBondContact O-N 3.32Å; E951-C966 CarbonylContact O-C 3.52Å; E951-C966 VanDerWaalsContact O-CA 3.31Å; E951-C966 WeakPolarHBondContact O-CA 3.43Å; E951-R967 HydrophobicContact CB-CB 4.48Å; E951-R967 PolarHBondContact N-O 2.66Å; E951-R967 PolarHBondContact O-N 3Å; E951-R967 IonicContact OE2-CZ 2.76Å; E951-R967 IonicContact OE2-NE 2.7Å; E951-R967 IonicContact OE2-NH2 3.96Å; E951-R967 PolarHBondContact OE2-NH2 3.31Å; E951-T1028 WeakPolarHBondContact CA-O 3.36Å; E951-K1029 HydrophobicContact CB-CG 4.11Å; E951-K1029 HydrophobicContact CG-CG 4.07Å; E951-K1029 WeakPolarHBondContact OE1-CE 3.01Å; E951-K1029 IonicContact OE1-NZ 2.64Å; E951-K1029 PolarHBondContact OE1-NZ 2.98Å; E951-K1029 WeakPolarHBondContact OE2-CE 3.27Å; E951-K1029 IonicContact OE2-NZ 2.68Å; E951-K1029 PolarHBondContact OE2-NZ 2.81Å; E951-K1029 VanDerWaalsContact OE2-NZ 3.1Å
952	I	94.6	Very high	71.4	Confident	1 Å²	1	81.4 Å²	81.4	1%	0.005	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	111	176.2	-57.4	168.7	0	0	0	108.1	V1014 L1017 I1018 G1025 V1026 G1027 T1028	I952-V1014 HydrophobicContact CD1-CB 4.36Å; I952-V1014 HydrophobicContact CD1-CG1 3.88Å; I952-V1014 HydrophobicContact CD1-CG2 4.06Å; I952-V1014 HydrophobicContact CG1-CG1 3.9Å; I952-V1014 HydrophobicContact CG1-CG2 3.96Å; I952-L1017 HydrophobicContact CD1-CD2 3.97Å; I952-I1018 HydrophobicContact CD1-CD1 4.12Å; I952-I1018 HydrophobicContact CD1-CG1 4.31Å; I952-I1018 HydrophobicContact CG2-CD1 3.97Å; I952-G1025 WeakPolarHBondContact CD1-O 3.42Å; I952-V1026 HydrophobicContact CG2-CG2 4.41Å; I952-G1027 PolarHBondContact O-N 3.28Å; I952-T1028 PolarHBondContact N-O 2.88Å
953	L	92.3	Very high	74.2	Confident	80 Å²	80	73.8 Å²	73.8	42%	0.419	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-28.2	-177.8	-60.9	179.7	0	0	0	113.1	E951 S965 R967 T976	E951-L953 HydrophobicContact CG-CD2 4.16Å; E951-L953 PolarHBondContact O-N 3.32Å; L953-S965 PolarHBondContact N-O 3.16Å; L953-R967 HydrophobicContact CD1-CB 4.16Å; L953-R967 HydrophobicContact CD2-CB 4.27Å; L953-R967 HydrophobicContact CG-CB 4.29Å; L953-T976 HydrophobicContact CD1-CG2 3.81Å
954	G	90	Very high	77	Confident	18 Å²	18	70.3 Å²	70.3	19%	0.186	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.6	159.5	-178.8	0	0	0	0	0	112.7	S965	G954-S965 PolarHBondContact N-O 2.93Å; G954-S965 PolarHBondContact O-N 3.01Å
955	C	87.1	Confident	79.7	Confident	34 Å²	34	65 Å²	65	23%	0.23	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	123	169	-169.6	0	0	0	0	107.6	L963	C955-L963 WeakPolarHBondContact CA-O 2.93Å
956	D	81.7	Confident	82	Confident	63 Å²	63	59.8 Å²	59.8	34%	0.337	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	113.5	178.5	-173	3.8	0	0	0	109.9	S958 A962 L963	D956-S958 VanDerWaalsContact OD1-CB 3.27Å; D956-S958 WeakPolarHBondContact OD1-CB 3.37Å; D956-S958 PolarHBondContact OD1-N 2.8Å; D956-S958 PolarHBondContact OD1-OG 2.72Å; D956-A962 WeakPolarHBondContact O-CA 3.45Å; D956-L963 PolarHBondContact N-O 3.31Å; D956-L963 PolarHBondContact O-N 2.83Å
957	E	71.7	Confident	83.3	Confident	108 Å²	108	58 Å²	58	51%	0.505	30%	0.297	S	S	.	.			trans	-92.8	-0.6	178.5	-64.1	170.3	168	0	0	112.2	R959 K1023	E957-R959 PolarHBondContact O-N 3.13Å; E957-R959 VanDerWaalsContact O-N 3.14Å; E957-K1023 IonicContact OE1-NZ 3.86Å; E957-K1023 PolarHBondContact OE1-NZ 3.22Å; E957-K1023 IonicContact OE2-NZ 2.72Å; E957-K1023 PolarHBondContact OE2-NZ 3.12Å
958	S	58.1	Low	83.9	Confident	96 Å²	96	52.6 Å²	52.6	67%	0.671	27%	0.273	S	S	*	.	S	Bend	trans	-80.6	12.3	-171.7	96	0	0	0	0	114.7	D956	D956-S958 VanDerWaalsContact OD1-CB 3.27Å; D956-S958 WeakPolarHBondContact OD1-CB 3.37Å; D956-S958 PolarHBondContact OD1-N 2.8Å; D956-S958 PolarHBondContact OD1-OG 2.72Å
959	R	57.1	Low	84	Confident	164 Å²	164	54.6 Å²	54.6	62%	0.619	28%	0.284	S	S	*	.	S	Bend	trans	-133.9	158.1	179.3	-61.7	-174.3	-178.4	-165.3	-3.5	109.4	E957 F961	E957-R959 PolarHBondContact O-N 3.13Å; E957-R959 VanDerWaalsContact O-N 3.14Å; R959-F961 CarbonylContact O-C 3.57Å; R959-F961 PolarHBondContact O-N 3.01Å
960	N	58.4	Low	83.8	Confident	162 Å²	162	54.4 Å²	54.4	87%	0.866	28%	0.283	S	S	*	.	S	Bend	trans	-57.6	-11.5	-175.1	-69.2	8	0	0	0	115.5
961	F	61.9	Low	83	Confident	145 Å²	145	57.8 Å²	57.8	64%	0.636	31%	0.307	S	S	*	.	S	Bend	trans	-132.3	131.8	167.3	-47.8	-76.4	0	0	0	107.7	R959 L963 A980	R959-F961 CarbonylContact O-C 3.57Å; R959-F961 PolarHBondContact O-N 3.01Å; F961-L963 PolarHBondContact O-N 2.95Å; F961-A980 HydrophobicContact CB-CB 4.46Å
962	A	76.7	Confident	82	Confident	41 Å²	41	60.8 Å²	60.8	34%	0.339	32%	0.321	S	S	.	.			trans	-62.6	130.8	177.5	0	0	0	0	0	110.4	D956 P981	D956-A962 WeakPolarHBondContact O-CA 3.45Å; A962-P981 VanDerWaalsContact O-CD 3.31Å; A962-P981 WeakPolarHBondContact O-CD 3.37Å
963	L	89	Confident	81.5	Confident	35 Å²	35	64.1 Å²	64.1	18%	0.183	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.9	-179.3	-74.8	173	0	0	0	111.1	C955 D956 F961 A980	C955-L963 WeakPolarHBondContact CA-O 2.93Å; D956-L963 PolarHBondContact N-O 3.31Å; D956-L963 PolarHBondContact O-N 2.83Å; F961-L963 PolarHBondContact O-N 2.95Å; L963-A980 HydrophobicContact CD2-CB 4.18Å
964	V	91.6	Very high	81.3	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.9	178.1	176.9	0	0	0	0	109.1	Q978 F979 P981 V1014 I1018	V964-Q978 VanDerWaalsContact O-CA 3.23Å; V964-Q978 WeakPolarHBondContact O-CA 3.4Å; V964-F979 HydrophobicContact CB-CD1 4.35Å; V964-F979 HydrophobicContact CB-CE1 3.98Å; V964-F979 HydrophobicContact CB-CE2 4.27Å; V964-F979 HydrophobicContact CB-CZ 3.94Å; V964-F979 HydrophobicContact CG1-CD1 4.48Å; V964-F979 HydrophobicContact CG1-CE1 3.7Å; V964-F979 HydrophobicContact CG1-CE2 4.49Å; V964-F979 HydrophobicContact CG1-CZ 3.71Å; V964-F979 PolarHBondContact N-O 3.2Å; V964-F979 PolarHBondContact O-N 2.85Å; V964-P981 HydrophobicContact CG2-CB 4.5Å; V964-P981 HydrophobicContact CG2-CG 3.88Å; V964-V1014 HydrophobicContact CG1-CG1 3.98Å; V964-I1018 HydrophobicContact CB-CD1 4.08Å; V964-I1018 HydrophobicContact CG1-CD1 3.37Å; V964-I1018 HydrophobicContact CG2-CD1 3.48Å; V964-I1018 VanDerWaalsContact CG2-CD1 3.48Å; V964-I1018 HydrophobicContact CG2-CG2 3.98Å
965	S	93.5	Very high	81.5	Confident	23 Å²	23	63.2 Å²	63.2	16%	0.161	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.3	173	-56.9	0	0	0	0	110	L953 G954 Q978	L953-S965 PolarHBondContact N-O 3.16Å; G954-S965 PolarHBondContact N-O 2.93Å; G954-S965 PolarHBondContact O-N 3.01Å; S965-Q978 WeakPolarHBondContact OG-CG 3.48Å; S965-Q978 PolarHBondContact OG-NE2 3.16Å
966	C	95.1	Very high	81.9	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.4	175.6	-75.9	0	0	0	0	111.7	M950 E951 T976 F977	M950-C966 HydrophobicContact CG-CB 4.32Å; E951-C966 CarbonylContact O-C 3.52Å; E951-C966 VanDerWaalsContact O-CA 3.31Å; E951-C966 WeakPolarHBondContact O-CA 3.43Å; C966-T976 CarbonylContact O-C 3.56Å; C966-T976 VanDerWaalsContact O-CA 3.27Å; C966-T976 WeakPolarHBondContact O-CA 3.22Å; C966-F977 HydrophobicContact CB-CE1 4.24Å; C966-F977 HydrophobicContact CB-CE2 4.28Å; C966-F977 HydrophobicContact CB-CZ 3.96Å; C966-F977 PolarHBondContact N-O 3.34Å; C966-F977 PolarHBondContact O-N 2.89Å
967	R	95.5	Very high	82.5	Confident	82 Å²	82	64.6 Å²	64.6	31%	0.309	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	139.9	156.3	-175.3	167.4	68.6	-152.1	-7.5	109.2	M950 E951 L953 D969 V975 T976	M950-R967 CarbonylContact C-O 3.59Å; M950-R967 VanDerWaalsContact CA-O 3.28Å; M950-R967 WeakPolarHBondContact CA-O 2.97Å; E951-R967 HydrophobicContact CB-CB 4.48Å; E951-R967 PolarHBondContact N-O 2.66Å; E951-R967 PolarHBondContact O-N 3Å; E951-R967 IonicContact OE2-CZ 2.76Å; E951-R967 IonicContact OE2-NE 2.7Å; E951-R967 IonicContact OE2-NH2 3.96Å; E951-R967 PolarHBondContact OE2-NH2 3.31Å; L953-R967 HydrophobicContact CD1-CB 4.16Å; L953-R967 HydrophobicContact CD2-CB 4.27Å; L953-R967 HydrophobicContact CG-CB 4.29Å; R967-D969 WeakPolarHBondContact CD-OD1 3.29Å; R967-D969 IonicContact CZ-OD2 3.95Å; R967-D969 IonicContact NE-OD1 2.78Å; R967-D969 PolarHBondContact NE-OD1 3.4Å; R967-D969 IonicContact NE-OD2 2.81Å; R967-D969 PolarHBondContact NE-OD2 2.71Å; R967-D969 IonicContact NH2-OD2 3.92Å; R967-V975 CarbonylContact C-O 3.5Å; R967-V975 WeakPolarHBondContact CA-O 3.37Å; R967-T976 HydrophobicContact CB-CG2 3.9Å; R967-T976 HydrophobicContact CG-CG2 4.02Å
968	L	95.3	Very high	83.5	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	117.6	169.6	168	64.6	0	0	0	108.7	V948 V949 M950 T970 S974 V975 F977 L993 L999 V1007	V948-L968 HydrophobicContact CG1-CD1 3.63Å; V949-L968 CarbonylContact O-C 3.56Å; V949-L968 WeakPolarHBondContact O-CA 3.41Å; M950-L968 HydrophobicContact CE-CD1 4.11Å; L968-T970 HydrophobicContact CD1-CG2 4.31Å; L968-T970 HydrophobicContact CG-CG2 4.16Å; L968-S974 WeakPolarHBondContact O-CA 3.33Å; L968-V975 HydrophobicContact CB-CG1 3.91Å; L968-V975 HydrophobicContact CD2-CG1 4.14Å; L968-V975 HydrophobicContact CG-CG1 4.27Å; L968-V975 PolarHBondContact N-O 2.78Å; L968-V975 PolarHBondContact O-N 3.24Å; L968-F977 HydrophobicContact CB-CE1 3.88Å; L968-F977 HydrophobicContact CD2-CE1 4.46Å; L968-L993 HydrophobicContact CD2-CD1 4.02Å; L968-L999 HydrophobicContact CD2-CD1 3.92Å; L968-V1007 HydrophobicContact CD1-CG2 3.88Å; L968-V1007 HydrophobicContact CD2-CG1 4.07Å; L968-V1007 HydrophobicContact CD2-CG2 3.76Å; L968-V1007 HydrophobicContact CG-CG2 4.49Å
969	D	92.2	Very high	85.2	Confident	42 Å²	42	60.8 Å²	60.8	23%	0.225	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	112.5	178.2	-61.9	-50.5	0	0	0	109.1	V949 R967 S974	V949-D969 HydrophobicContact CB-CB 4.38Å; V949-D969 PolarHBondContact N-O 2.82Å; V949-D969 PolarHBondContact O-N 3.39Å; R967-D969 WeakPolarHBondContact CD-OD1 3.29Å; R967-D969 IonicContact CZ-OD2 3.95Å; R967-D969 IonicContact NE-OD1 2.78Å; R967-D969 PolarHBondContact NE-OD1 3.4Å; R967-D969 IonicContact NE-OD2 2.81Å; R967-D969 PolarHBondContact NE-OD2 2.71Å; R967-D969 IonicContact NH2-OD2 3.92Å; D969-S974 VanDerWaalsContact OD1-CB 3.26Å; D969-S974 WeakPolarHBondContact OD1-CB 3.21Å; D969-S974 PolarHBondContact OD1-OG 2.84Å
970	T	88.8	Confident	86.8	Confident	19 Å²	19	53.3 Å²	53.3	12%	0.117	28%	0.284	C	S	.	.			trans	-106	176.3	174.5	73.3	0	0	0	0	111.1	L968 H972 K973 L999	L968-T970 HydrophobicContact CD1-CG2 4.31Å; L968-T970 HydrophobicContact CG-CG2 4.16Å; T970-H972 PolarHBondContact O-N 2.8Å; T970-H972 PolarHBondContact OG1-CE1 2.85Å; T970-H972 PolarHBondContact OG1-N 3.24Å; T970-K973 PolarHBondContact N-O 3.37Å; T970-K973 PolarHBondContact OG1-N 3.47Å; T970-K973 PolarHBondContact OG1-O 3.22Å; T970-L999 HydrophobicContact CG2-CD1 3.92Å
971	S	77	Confident	88.2	Confident	72 Å²	72	46.5 Å²	46.5	50%	0.503	25%	0.248	S	C	.	.	S	Bend	trans	-65.3	-2.3	177.6	74.9	0	0	0	0	116
972	H	73.6	Confident	89.1	Confident	91 Å²	91	43.2 Å²	43.2	42%	0.421	26%	0.256	S	S	.	.	S	Bend	trans	-148	-20.3	-170.8	52.6	-82.2	0	0	0	114.3	T970 H1003	T970-H972 PolarHBondContact O-N 2.8Å; T970-H972 PolarHBondContact OG1-CE1 2.85Å; T970-H972 PolarHBondContact OG1-N 3.24Å; H972-H1003 AromaticContact CE1-CE1 3.67Å; H972-H1003 AromaticContact CE1-ND1 3.72Å
973	K	84.4	Confident	89.5	Confident	72 Å²	72	43.9 Å²	43.9	31%	0.313	26%	0.256	S	S	.	.			trans	-150.2	142.1	179.3	-168.7	156.9	159	-168.8	0	110.7	T970 E996 D997 C998	T970-K973 PolarHBondContact N-O 3.37Å; T970-K973 PolarHBondContact OG1-N 3.47Å; T970-K973 PolarHBondContact OG1-O 3.22Å; K973-E996 PolarHBondContact NZ-O 2.97Å; K973-D997 VanDerWaalsContact CD-O 3.29Å; K973-D997 WeakPolarHBondContact CD-O 3.17Å; K973-D997 PolarHBondContact NZ-O 2.7Å; K973-C998 WeakPolarHBondContact CE-SG 3.4Å; K973-C998 PolarHBondContact NZ-SG 3.06Å
974	S	89.8	Confident	89.6	Confident	55 Å²	55	45.2 Å²	45.2	39%	0.385	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.2	169.7	179.6	0	0	0	0	108.1	L968 D969	L968-S974 WeakPolarHBondContact O-CA 3.33Å; D969-S974 VanDerWaalsContact OD1-CB 3.26Å; D969-S974 WeakPolarHBondContact OD1-CB 3.21Å; D969-S974 PolarHBondContact OD1-OG 2.84Å
975	V	93	Very high	89.5	Confident	23 Å²	23	50.8 Å²	50.8	14%	0.139	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	135.8	-177.9	61.9	0	0	0	0	110.4	R967 L968 F977 L993 C998	R967-V975 CarbonylContact C-O 3.5Å; R967-V975 WeakPolarHBondContact CA-O 3.37Å; L968-V975 HydrophobicContact CB-CG1 3.91Å; L968-V975 HydrophobicContact CD2-CG1 4.14Å; L968-V975 HydrophobicContact CG-CG1 4.27Å; L968-V975 PolarHBondContact N-O 2.78Å; L968-V975 PolarHBondContact O-N 3.24Å; V975-F977 HydrophobicContact CG1-CD1 4.37Å; V975-L993 HydrophobicContact CG1-CD2 4.18Å; V975-L993 HydrophobicContact CG2-CD2 4.24Å; V975-C998 HydrophobicContact CB-CB 4.44Å; V975-C998 HydrophobicContact CG1-CB 4.28Å; V975-C998 HydrophobicContact CG2-CB 4.43Å
976	T	94.7	Very high	89.5	Confident	97 Å²	97	51.1 Å²	51.1	60%	0.595	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.9	169.9	49.3	0	0	0	0	109.8	L953 C966 R967	L953-T976 HydrophobicContact CD1-CG2 3.81Å; C966-T976 CarbonylContact O-C 3.56Å; C966-T976 VanDerWaalsContact O-CA 3.27Å; C966-T976 WeakPolarHBondContact O-CA 3.22Å; R967-T976 HydrophobicContact CB-CG2 3.9Å; R967-T976 HydrophobicContact CG-CG2 4.02Å
977	F	94.8	Very high	89.4	Confident	29 Å²	29	53.8 Å²	53.8	13%	0.127	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	160.1	-178.1	62.1	-86.4	0	0	0	111.1	C966 L968 V975 F979 I989 L993 L1011	C966-F977 HydrophobicContact CB-CE1 4.24Å; C966-F977 HydrophobicContact CB-CE2 4.28Å; C966-F977 HydrophobicContact CB-CZ 3.96Å; C966-F977 PolarHBondContact N-O 3.34Å; C966-F977 PolarHBondContact O-N 2.89Å; L968-F977 HydrophobicContact CB-CE1 3.88Å; L968-F977 HydrophobicContact CD2-CE1 4.46Å; V975-F977 HydrophobicContact CG1-CD1 4.37Å; F977-F979 AromaticContact CD2-CD1 3.94Å; F977-F979 HydrophobicContact CD2-CD1 3.94Å; F977-F979 AromaticContact CE2-CD1 3.64Å; F977-F979 HydrophobicContact CE2-CD1 3.64Å; F977-F979 AromaticContact CE2-CE1 3.91Å; F977-F979 HydrophobicContact CE2-CE1 3.91Å; F977-I989 HydrophobicContact CD2-CG2 4.1Å; F977-I989 HydrophobicContact CE2-CG2 3.76Å; F977-I989 HydrophobicContact CZ-CG2 4.39Å; F977-L993 HydrophobicContact CD1-CD1 4.24Å; F977-L993 HydrophobicContact CD1-CD2 4.36Å; F977-L993 HydrophobicContact CE1-CD1 3.96Å; F977-L993 HydrophobicContact CZ-CD1 4.22Å; F977-L1011 HydrophobicContact CE2-CD2 3.9Å; F977-L1011 HydrophobicContact CZ-CD2 3.99Å
978	Q	93.9	Very high	89.2	Confident	121 Å²	121	53.5 Å²	53.5	57%	0.565	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	146.8	173.8	-71.8	-174.4	-18.8	0	0	110.6	V964 S965	V964-Q978 VanDerWaalsContact O-CA 3.23Å; V964-Q978 WeakPolarHBondContact O-CA 3.4Å; S965-Q978 WeakPolarHBondContact OG-CG 3.48Å; S965-Q978 PolarHBondContact OG-NE2 3.16Å
979	F	93.9	Very high	89.1	Confident	3 Å²	3	54.4 Å²	54.4	1%	0.013	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	156.9	174.2	66.9	-82.6	0	0	0	110.7	V964 F977 P981 D984 I989 L1011 V1014 I1015	V964-F979 HydrophobicContact CB-CD1 4.35Å; V964-F979 HydrophobicContact CB-CE1 3.98Å; V964-F979 HydrophobicContact CB-CE2 4.27Å; V964-F979 HydrophobicContact CB-CZ 3.94Å; V964-F979 HydrophobicContact CG1-CD1 4.48Å; V964-F979 HydrophobicContact CG1-CE1 3.7Å; V964-F979 HydrophobicContact CG1-CE2 4.49Å; V964-F979 HydrophobicContact CG1-CZ 3.71Å; V964-F979 PolarHBondContact N-O 3.2Å; V964-F979 PolarHBondContact O-N 2.85Å; F977-F979 AromaticContact CD2-CD1 3.94Å; F977-F979 HydrophobicContact CD2-CD1 3.94Å; F977-F979 AromaticContact CE2-CD1 3.64Å; F977-F979 HydrophobicContact CE2-CD1 3.64Å; F977-F979 AromaticContact CE2-CE1 3.91Å; F977-F979 HydrophobicContact CE2-CE1 3.91Å; F979-P981 HydrophobicContact CE2-CB 4.21Å; F979-D984 WeakPolarHBondContact CA-OD2 3.14Å; F979-D984 HydrophobicContact CB-CB 4.21Å; F979-I989 HydrophobicContact CB-CD1 3.72Å; F979-I989 HydrophobicContact CB-CG1 4.46Å; F979-I989 HydrophobicContact CD1-CD1 4.32Å; F979-I989 HydrophobicContact CD2-CD1 3.8Å; F979-I989 HydrophobicContact CE2-CD1 4.49Å; F979-I989 HydrophobicContact CG-CD1 3.69Å; F979-L1011 HydrophobicContact CD1-CD2 4.26Å; F979-L1011 HydrophobicContact CE1-CD2 3.6Å; F979-L1011 HydrophobicContact CE2-CD2 4.34Å; F979-L1011 HydrophobicContact CZ-CD2 3.64Å; F979-V1014 HydrophobicContact CZ-CG1 3.82Å; F979-I1015 HydrophobicContact CE2-CD1 4.18Å; F979-I1015 HydrophobicContact CE2-CG1 3.73Å; F979-I1015 HydrophobicContact CZ-CG1 4.4Å
980	A	90.8	Very high	89.2	Confident	8 Å²	8	52.4 Å²	52.4	7%	0.066	31%	0.308	C	S	.	.			trans	-99.5	114.7	173.3	0	0	0	0	0	109.7	F961 L963 G982 T983 D984	F961-A980 HydrophobicContact CB-CB 4.46Å; L963-A980 HydrophobicContact CD2-CB 4.18Å; A980-G982 PolarHBondContact O-N 2.85Å; A980-T983 WeakPolarHBondContact CB-OG1 3.35Å; A980-T983 PolarHBondContact O-N 2.68Å; A980-T983 PolarHBondContact O-OG1 3.19Å; A980-D984 PolarHBondContact N-OD2 2.78Å; A980-D984 PolarHBondContact O-N 3.25Å
981	P	86.4	Confident	89.3	Confident	18 Å²	18	55.3 Å²	55.3	12%	0.117	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-11.2	-169.9	28.1	-35.2	0	0	0	113.9	A962 V964 F979 I1015	A962-P981 VanDerWaalsContact O-CD 3.31Å; A962-P981 WeakPolarHBondContact O-CD 3.37Å; V964-P981 HydrophobicContact CG2-CB 4.5Å; V964-P981 HydrophobicContact CG2-CG 3.88Å; F979-P981 HydrophobicContact CE2-CB 4.21Å; P981-I1015 HydrophobicContact CB-CB 4.45Å; P981-I1015 HydrophobicContact CB-CG1 3.92Å; P981-I1015 HydrophobicContact CB-CG2 4.21Å
982	G	80.3	Confident	89.9	Confident	77 Å²	77	58.1 Å²	58.1	79%	0.794	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-16.6	172.5	0	0	0	0	0	115.4	A980	A980-G982 PolarHBondContact O-N 2.85Å
983	T	86.6	Confident	90.8	Very high	54 Å²	54	54.1 Å²	54.1	33%	0.331	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-28.2	-176.7	59.7	0	0	0	0	113.9	R877 A980	R877-T983 PolarHBondContact NH1-O 2.76Å; A980-T983 WeakPolarHBondContact CB-OG1 3.35Å; A980-T983 PolarHBondContact O-N 2.68Å; A980-T983 PolarHBondContact O-OG1 3.19Å
984	D	89.9	Confident	91.2	Very high	63 Å²	63	52.8 Å²	52.8	34%	0.337	31%	0.307	S	S	.	.			trans	-107.9	120.2	-165.3	-55.1	-19.5	0	0	0	110.6	F979 A980 I989	F979-D984 WeakPolarHBondContact CA-OD2 3.14Å; F979-D984 HydrophobicContact CB-CB 4.21Å; A980-D984 PolarHBondContact N-OD2 2.78Å; A980-D984 PolarHBondContact O-N 3.25Å; D984-I989 HydrophobicContact CB-CD1 4.04Å; D984-I989 HydrophobicContact CB-CG1 4.31Å
985	K	91.2	Very high	91.2	Very high	117 Å²	117	54.1 Å²	54.1	51%	0.509	32%	0.322	S	S	.	.			trans	-80.7	138.7	-178.8	-64.8	-176.7	177.7	-177.9	0	110.8	C987 T988 I989	K985-C987 VanDerWaalsContact C-N 3.26Å; K985-C987 PolarHBondContact O-N 2.83Å; K985-C987 VanDerWaalsContact O-N 3.16Å; K985-T988 WeakPolarHBondContact O-CB 3.49Å; K985-T988 PolarHBondContact O-N 2.7Å; K985-I989 PolarHBondContact O-N 2.76Å; K985-I989 VanDerWaalsContact O-N 3.11Å
986	P	92.6	Very high	91	Very high	31 Å²	31	58.8 Å²	58.8	20%	0.201	34%	0.342	C	S	.	.	H	α-helix	trans	-47.3	-43.5	174.9	-34.2	38.1	0	0	0	114.8	T988 I989 A990 E1008 L1011 I1015	P986-T988 PolarHBondContact O-N 3.36Å; P986-I989 PolarHBondContact O-N 3.5Å; P986-A990 WeakPolarHBondContact O-CB 3.47Å; P986-A990 PolarHBondContact O-N 3.22Å; P986-E1008 HydrophobicContact CB-CB 4.48Å; P986-L1011 HydrophobicContact CB-CB 3.81Å; P986-L1011 HydrophobicContact CB-CD1 4.5Å; P986-L1011 HydrophobicContact CG-CB 4.08Å; P986-I1015 HydrophobicContact CG-CD1 3.71Å
987	C	91.8	Very high	90.6	Very high	56 Å²	56	60.3 Å²	60.3	38%	0.378	35%	0.346	S	S	.	.	H	α-helix	trans	-65.7	-36.1	178.4	57.9	0	0	0	0	113.6	K985 T991 E1008	K985-C987 VanDerWaalsContact C-N 3.26Å; K985-C987 PolarHBondContact O-N 2.83Å; K985-C987 VanDerWaalsContact O-N 3.16Å; C987-T991 WeakPolarHBondContact O-CB 3.48Å; C987-T991 PolarHBondContact O-N 3.45Å; C987-T991 PolarHBondContact O-OG1 3.1Å; C987-E1008 WeakPolarHBondContact CA-OE1 3.43Å; C987-E1008 HydrophobicContact CB-CG 4.43Å; C987-E1008 WeakPolarHBondContact CB-OE1 3.12Å
988	T	92.6	Very high	90.2	Very high	75 Å²	75	59.3 Å²	59.3	46%	0.46	34%	0.343	S	S	.	.	H	α-helix	trans	-67.8	-40.2	175.3	-51	0	0	0	0	111	K985 P986 K992	K985-T988 WeakPolarHBondContact O-CB 3.49Å; K985-T988 PolarHBondContact O-N 2.7Å; P986-T988 PolarHBondContact O-N 3.36Å; T988-K992 WeakPolarHBondContact O-CG 3.47Å; T988-K992 PolarHBondContact O-N 2.8Å
989	I	93.1	Very high	89.9	Confident	20 Å²	20	53.8 Å²	53.8	10%	0.103	32%	0.317	C	S	.	.	H	α-helix	trans	-66.2	-50.9	176.3	-58.9	164.2	0	0	0	110.1	F977 F979 D984 K985 P986 T991 K992 L993 L1011	F977-I989 HydrophobicContact CD2-CG2 4.1Å; F977-I989 HydrophobicContact CE2-CG2 3.76Å; F977-I989 HydrophobicContact CZ-CG2 4.39Å; F979-I989 HydrophobicContact CB-CD1 3.72Å; F979-I989 HydrophobicContact CB-CG1 4.46Å; F979-I989 HydrophobicContact CD1-CD1 4.32Å; F979-I989 HydrophobicContact CD2-CD1 3.8Å; F979-I989 HydrophobicContact CE2-CD1 4.49Å; F979-I989 HydrophobicContact CG-CD1 3.69Å; D984-I989 HydrophobicContact CB-CD1 4.04Å; D984-I989 HydrophobicContact CB-CG1 4.31Å; K985-I989 PolarHBondContact O-N 2.76Å; K985-I989 VanDerWaalsContact O-N 3.11Å; P986-I989 PolarHBondContact O-N 3.5Å; I989-T991 VanDerWaalsContact C-N 3.31Å; I989-T991 PolarHBondContact O-N 3.27Å; I989-K992 PolarHBondContact O-N 3.1Å; I989-L993 HydrophobicContact CG2-CD1 3.99Å; I989-L993 HydrophobicContact CG2-CG 4.44Å; I989-L993 WeakPolarHBondContact O-CG 3.33Å; I989-L993 PolarHBondContact O-N 3.47Å; I989-L1011 HydrophobicContact CB-CD1 3.76Å; I989-L1011 HydrophobicContact CD1-CD1 4.15Å; I989-L1011 HydrophobicContact CD1-CD2 4.35Å; I989-L1011 HydrophobicContact CG2-CD1 3.62Å
990	A	93.4	Very high	89.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-35.3	179.6	0	0	0	0	0	112.8	P986 L994 V1004 V1007 E1008	P986-A990 WeakPolarHBondContact O-CB 3.47Å; P986-A990 PolarHBondContact O-N 3.22Å; A990-L994 WeakPolarHBondContact O-CB 3.49Å; A990-L994 PolarHBondContact O-N 3.16Å; A990-V1004 HydrophobicContact CB-CG1 4.11Å; A990-V1007 HydrophobicContact CB-CB 4.46Å; A990-V1007 HydrophobicContact CB-CG1 4.1Å; A990-E1008 HydrophobicContact CB-CG 3.57Å
991	T	91	Very high	89.3	Confident	80 Å²	80	65 Å²	65	49%	0.491	37%	0.368	S	S	.	.	H	α-helix	trans	-69.4	-38.6	174.6	-58	0	0	0	0	112.1	C987 I989 L994 A995	C987-T991 WeakPolarHBondContact O-CB 3.48Å; C987-T991 PolarHBondContact O-N 3.45Å; C987-T991 PolarHBondContact O-OG1 3.1Å; I989-T991 VanDerWaalsContact C-N 3.31Å; I989-T991 PolarHBondContact O-N 3.27Å; T991-L994 PolarHBondContact O-N 2.77Å; T991-A995 PolarHBondContact O-N 2.74Å
992	K	90.7	Very high	89.2	Confident	131 Å²	131	68.3 Å²	68.3	57%	0.57	39%	0.387	S	S	*	.	H	α-helix	trans	-65.1	-45	171.9	-79.9	-168.7	171.2	-165.4	0	112.1	T988 I989 L994 A995 E996	T988-K992 WeakPolarHBondContact O-CG 3.47Å; T988-K992 PolarHBondContact O-N 2.8Å; I989-K992 PolarHBondContact O-N 3.1Å; K992-L994 PolarHBondContact O-N 3.36Å; K992-A995 PolarHBondContact O-N 2.71Å; K992-E996 WeakPolarHBondContact O-CG 3.5Å; K992-E996 PolarHBondContact O-N 3.38Å
993	L	92.7	Very high	89.6	Confident	7 Å²	7	64.7 Å²	64.7	4%	0.037	35%	0.35	C	S	.	.	H	α-helix	trans	-61.4	-31.4	175.5	-68.3	172.4	0	0	0	112.1	L968 V975 F977 I989 C998 L999 V1007	L968-L993 HydrophobicContact CD2-CD1 4.02Å; V975-L993 HydrophobicContact CG1-CD2 4.18Å; V975-L993 HydrophobicContact CG2-CD2 4.24Å; F977-L993 HydrophobicContact CD1-CD1 4.24Å; F977-L993 HydrophobicContact CD1-CD2 4.36Å; F977-L993 HydrophobicContact CE1-CD1 3.96Å; F977-L993 HydrophobicContact CZ-CD1 4.22Å; I989-L993 HydrophobicContact CG2-CD1 3.99Å; I989-L993 HydrophobicContact CG2-CG 4.44Å; I989-L993 WeakPolarHBondContact O-CG 3.33Å; I989-L993 PolarHBondContact O-N 3.47Å; L993-C998 HydrophobicContact CB-CB 4.17Å; L993-C998 HydrophobicContact CD2-CB 3.85Å; L993-C998 CarbonylContact O-C 3.51Å; L993-C998 VanDerWaalsContact O-CA 3.24Å; L993-C998 WeakPolarHBondContact O-CA 3.25Å; L993-C998 VanDerWaalsContact O-CB 3.23Å; L993-C998 WeakPolarHBondContact O-CB 3.48Å; L993-C998 PolarHBondContact O-N 3.09Å; L993-L999 HydrophobicContact CB-CB 4.23Å; L993-L999 PolarHBondContact O-N 2.76Å; L993-V1007 HydrophobicContact CD1-CG1 4.25Å
994	L	92.1	Very high	89.8	Confident	43 Å²	43	62.8 Å²	62.8	23%	0.225	34%	0.338	C	S	.	.	H	α-helix	trans	-69.2	-42.2	169	173.3	62.9	0	0	0	112.4	A990 T991 K992 E996 D997 L999 K1001 V1004	A990-L994 WeakPolarHBondContact O-CB 3.49Å; A990-L994 PolarHBondContact O-N 3.16Å; T991-L994 PolarHBondContact O-N 2.77Å; K992-L994 PolarHBondContact O-N 3.36Å; L994-E996 VanDerWaalsContact C-N 3.31Å; L994-E996 PolarHBondContact O-N 3.28Å; L994-D997 PolarHBondContact O-N 3.07Å; L994-L999 WeakPolarHBondContact CD1-O 3.5Å; L994-K1001 HydrophobicContact CD1-CG 3.82Å; L994-K1001 HydrophobicContact CD2-CG 3.71Å; L994-K1001 HydrophobicContact CG-CG 4.44Å; L994-V1004 HydrophobicContact CB-CG2 4.35Å; L994-V1004 HydrophobicContact CD2-CG2 3.98Å
995	A	89.5	Confident	89.7	Confident	84 Å²	84	66.6 Å²	66.6	69%	0.694	35%	0.354	S	S	*	.	H	α-helix	trans	-69.9	-24.4	-179.1	0	0	0	0	0	113.9	T991 K992 D997	T991-A995 PolarHBondContact O-N 2.74Å; K992-A995 PolarHBondContact O-N 2.71Å; A995-D997 VanDerWaalsContact C-N 3.32Å
996	E	89.5	Confident	89.7	Confident	120 Å²	120	61.4 Å²	61.4	56%	0.561	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	16.2	176.6	-65.7	169.5	-165.5	0	0	112.9	K973 K992 L994 C998	K973-E996 PolarHBondContact NZ-O 2.97Å; K992-E996 WeakPolarHBondContact O-CG 3.5Å; K992-E996 PolarHBondContact O-N 3.38Å; L994-E996 VanDerWaalsContact C-N 3.31Å; L994-E996 PolarHBondContact O-N 3.28Å; E996-C998 PolarHBondContact O-N 3.47Å; E996-C998 PolarHBondContact O-SG 2.72Å
997	D	86	Confident	89.7	Confident	129 Å²	129	59.9 Å²	59.9	69%	0.69	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	26.7	-171.7	-76.5	-43.8	0	0	0	113.1	K973 L994 A995	K973-D997 VanDerWaalsContact CD-O 3.29Å; K973-D997 WeakPolarHBondContact CD-O 3.17Å; K973-D997 PolarHBondContact NZ-O 2.7Å; L994-D997 PolarHBondContact O-N 3.07Å; A995-D997 VanDerWaalsContact C-N 3.32Å
998	C	85.6	Confident	89.8	Confident	9 Å²	9	59.3 Å²	59.3	6%	0.061	31%	0.313	C	S	.	.	S	Bend	trans	-82.3	-6.9	173.5	-65.8	0	0	0	0	111.7	K973 V975 L993 E996	K973-C998 WeakPolarHBondContact CE-SG 3.4Å; K973-C998 PolarHBondContact NZ-SG 3.06Å; V975-C998 HydrophobicContact CB-CB 4.44Å; V975-C998 HydrophobicContact CG1-CB 4.28Å; V975-C998 HydrophobicContact CG2-CB 4.43Å; L993-C998 HydrophobicContact CB-CB 4.17Å; L993-C998 HydrophobicContact CD2-CB 3.85Å; L993-C998 CarbonylContact O-C 3.51Å; L993-C998 VanDerWaalsContact O-CA 3.24Å; L993-C998 WeakPolarHBondContact O-CA 3.25Å; L993-C998 VanDerWaalsContact O-CB 3.23Å; L993-C998 WeakPolarHBondContact O-CB 3.48Å; L993-C998 PolarHBondContact O-N 3.09Å; E996-C998 PolarHBondContact O-N 3.47Å; E996-C998 PolarHBondContact O-SG 2.72Å
999	L	88.4	Confident	89.7	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.021	31%	0.309	C	S	.	.	S	Bend	trans	-150.4	142.7	-175.5	-152.7	74.1	0	0	0	112.2	L968 T970 L993 L994 H1003 V1004 V1007	L968-L999 HydrophobicContact CD2-CD1 3.92Å; T970-L999 HydrophobicContact CG2-CD1 3.92Å; L993-L999 HydrophobicContact CB-CB 4.23Å; L993-L999 PolarHBondContact O-N 2.76Å; L994-L999 WeakPolarHBondContact CD1-O 3.5Å; L999-H1003 HydrophobicContact CD1-CB 3.9Å; L999-H1003 HydrophobicContact CD2-CB 4.29Å; L999-H1003 HydrophobicContact CG-CB 3.9Å; L999-V1004 HydrophobicContact CD2-CB 4.43Å; L999-V1004 HydrophobicContact CD2-CG2 3.97Å; L999-V1007 HydrophobicContact CD1-CG2 3.66Å; L999-V1007 HydrophobicContact CD2-CB 4.13Å; L999-V1007 HydrophobicContact CD2-CG2 4.06Å
1000	L	87	Confident	89.8	Confident	78 Å²	78	56.9 Å²	56.9	41%	0.408	30%	0.304	S	S	.	.			trans	-82.1	148	164.7	-72.4	170.1	0	0	0	110.8	V1002 H1003	L1000-V1002 HydrophobicContact CB-CG1 4.15Å; L1000-V1002 PolarHBondContact O-N 3.45Å; L1000-H1003 PolarHBondContact O-N 2.91Å
1001	K	85.6	Confident	89.8	Confident	170 Å²	170	56.9 Å²	56.9	74%	0.739	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-47.3	-39.3	175.5	-86	-175.5	175.1	175.8	0	113.7	L994 H1003 V1004	L994-K1001 HydrophobicContact CD1-CG 3.82Å; L994-K1001 HydrophobicContact CD2-CG 3.71Å; L994-K1001 HydrophobicContact CG-CG 4.44Å; K1001-H1003 PolarHBondContact O-N 3.31Å; K1001-V1004 WeakPolarHBondContact O-CG2 3.43Å; K1001-V1004 PolarHBondContact O-N 2.85Å
1002	V	84.3	Confident	89.9	Confident	87 Å²	87	54.5 Å²	54.5	53%	0.527	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-69.5	-12.1	-179.7	70.4	0	0	0	0	114.4	L1000	L1000-V1002 HydrophobicContact CB-CG1 4.15Å; L1000-V1002 PolarHBondContact O-N 3.45Å
1003	H	88.4	Confident	89.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-100.5	-7.4	176.7	-58.6	165.2	0	0	0	113.6	V948 H972 L999 L1000 K1001 H1005 I1006 V1007	V948-H1003 HydrophobicContact CG2-CB 4.45Å; H972-H1003 AromaticContact CE1-CE1 3.67Å; H972-H1003 AromaticContact CE1-ND1 3.72Å; L999-H1003 HydrophobicContact CD1-CB 3.9Å; L999-H1003 HydrophobicContact CD2-CB 4.29Å; L999-H1003 HydrophobicContact CG-CB 3.9Å; L1000-H1003 PolarHBondContact O-N 2.91Å; K1001-H1003 PolarHBondContact O-N 3.31Å; H1003-H1005 PolarHBondContact O-N 3.23Å; H1003-I1006 PolarHBondContact O-N 3.12Å; H1003-I1006 VanDerWaalsContact O-N 3.17Å; H1003-V1007 PolarHBondContact O-N 3.36Å
1004	V	90.3	Very high	89.7	Confident	15 Å²	15	51.4 Å²	51.4	9%	0.091	28%	0.283	C	S	.	.	H	α-helix	trans	-53.7	-59.5	-174.1	173.8	0	0	0	0	111.5	A990 L994 L999 K1001 I1006 V1007 E1008	A990-V1004 HydrophobicContact CB-CG1 4.11Å; L994-V1004 HydrophobicContact CB-CG2 4.35Å; L994-V1004 HydrophobicContact CD2-CG2 3.98Å; L999-V1004 HydrophobicContact CD2-CB 4.43Å; L999-V1004 HydrophobicContact CD2-CG2 3.97Å; K1001-V1004 WeakPolarHBondContact O-CG2 3.43Å; K1001-V1004 PolarHBondContact O-N 2.85Å; V1004-I1006 PolarHBondContact O-N 2.88Å; V1004-I1006 VanDerWaalsContact O-N 3.14Å; V1004-V1007 PolarHBondContact O-N 3.27Å; V1004-E1008 HydrophobicContact CG1-CG 4.26Å; V1004-E1008 WeakPolarHBondContact O-CG 3.4Å; V1004-E1008 PolarHBondContact O-N 3.44Å
1005	H	88.4	Confident	89.6	Confident	143 Å²	143	50.6 Å²	50.6	66%	0.662	28%	0.278	S	S	*	.	H	α-helix	trans	-62.8	-23.4	-177.8	-60	-43.4	0	0	0	114.3	H1003 E1008 A1009	H1003-H1005 PolarHBondContact O-N 3.23Å; H1005-E1008 WeakPolarHBondContact CA-OE2 3.2Å; H1005-E1008 IonicContact CE1-OE2 3.83Å; H1005-E1008 IonicContact CG-OE2 3.43Å; H1005-E1008 IonicContact ND1-OE2 3.89Å; H1005-E1008 PolarHBondContact ND1-OE2 3.14Å; H1005-A1009 WeakPolarHBondContact O-CB 3.31Å; H1005-A1009 PolarHBondContact O-N 2.91Å; H1005-A1009 VanDerWaalsContact O-N 3.13Å
1006	I	90.4	Very high	89.5	Confident	7 Å²	7	53 Å²	53	4%	0.036	28%	0.275	C	S	.	.	H	α-helix	trans	-74.3	-43	173.8	-71.3	168.8	0	0	0	110.6	V948 H1003 V1004 A1009 Q1010 T1032 L1034 P1042	V948-I1006 HydrophobicContact CB-CG2 4Å; V948-I1006 HydrophobicContact CG1-CG2 4.05Å; V948-I1006 HydrophobicContact CG2-CG2 4.42Å; H1003-I1006 PolarHBondContact O-N 3.12Å; H1003-I1006 VanDerWaalsContact O-N 3.17Å; V1004-I1006 PolarHBondContact O-N 2.88Å; V1004-I1006 VanDerWaalsContact O-N 3.14Å; I1006-A1009 PolarHBondContact O-N 3.22Å; I1006-Q1010 HydrophobicContact CG2-CG 4.5Å; I1006-Q1010 WeakPolarHBondContact O-CB 3.35Å; I1006-Q1010 WeakPolarHBondContact O-CG 3.27Å; I1006-Q1010 PolarHBondContact O-N 2.91Å; I1006-T1032 HydrophobicContact CD1-CG2 3.93Å; I1006-T1032 HydrophobicContact CG1-CG2 4.07Å; I1006-T1032 HydrophobicContact CG2-CG2 3.74Å; I1006-L1034 HydrophobicContact CD1-CD1 3.71Å; I1006-L1034 HydrophobicContact CD1-CD2 3.64Å; I1006-L1034 HydrophobicContact CD1-CG 3.57Å; I1006-P1042 HydrophobicContact CD1-CB 4.15Å; I1006-P1042 HydrophobicContact CD1-CG 4.48Å; I1006-P1042 HydrophobicContact CG1-CB 3.9Å; I1006-P1042 HydrophobicContact CG1-CG 3.81Å
1007	V	92.7	Very high	89.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.7	-35.1	177.3	170	0	0	0	0	111.3	V948 M950 L968 A990 L993 L999 H1003 V1004 L1011	V948-V1007 HydrophobicContact CG1-CG2 4.12Å; M950-V1007 HydrophobicContact CE-CB 4.42Å; M950-V1007 HydrophobicContact CE-CG1 3.89Å; M950-V1007 HydrophobicContact CE-CG2 4.45Å; L968-V1007 HydrophobicContact CD1-CG2 3.88Å; L968-V1007 HydrophobicContact CD2-CG1 4.07Å; L968-V1007 HydrophobicContact CD2-CG2 3.76Å; L968-V1007 HydrophobicContact CG-CG2 4.49Å; A990-V1007 HydrophobicContact CB-CB 4.46Å; A990-V1007 HydrophobicContact CB-CG1 4.1Å; L993-V1007 HydrophobicContact CD1-CG1 4.25Å; L999-V1007 HydrophobicContact CD1-CG2 3.66Å; L999-V1007 HydrophobicContact CD2-CB 4.13Å; L999-V1007 HydrophobicContact CD2-CG2 4.06Å; H1003-V1007 PolarHBondContact O-N 3.36Å; V1004-V1007 PolarHBondContact O-N 3.27Å; V1007-L1011 HydrophobicContact CG1-CD1 3.94Å; V1007-L1011 HydrophobicContact CG1-CG 4.5Å; V1007-L1011 VanDerWaalsContact O-CB 3.27Å; V1007-L1011 WeakPolarHBondContact O-CB 3.21Å; V1007-L1011 VanDerWaalsContact O-CG 3.32Å; V1007-L1011 WeakPolarHBondContact O-CG 3.24Å; V1007-L1011 PolarHBondContact O-N 3.06Å
1008	E	94	Very high	89.4	Confident	44 Å²	44	44 Å²	44	21%	0.206	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-47.2	169.9	-69.6	178.2	142.4	0	0	111.8	P986 C987 A990 V1004 H1005 L1011 G1012	P986-E1008 HydrophobicContact CB-CB 4.48Å; C987-E1008 WeakPolarHBondContact CA-OE1 3.43Å; C987-E1008 HydrophobicContact CB-CG 4.43Å; C987-E1008 WeakPolarHBondContact CB-OE1 3.12Å; A990-E1008 HydrophobicContact CB-CG 3.57Å; V1004-E1008 HydrophobicContact CG1-CG 4.26Å; V1004-E1008 WeakPolarHBondContact O-CG 3.4Å; V1004-E1008 PolarHBondContact O-N 3.44Å; H1005-E1008 WeakPolarHBondContact CA-OE2 3.2Å; H1005-E1008 IonicContact CE1-OE2 3.83Å; H1005-E1008 IonicContact CG-OE2 3.43Å; H1005-E1008 IonicContact ND1-OE2 3.89Å; H1005-E1008 PolarHBondContact ND1-OE2 3.14Å; E1008-L1011 PolarHBondContact O-N 3.37Å; E1008-G1012 PolarHBondContact O-N 2.95Å
1009	A	91	Very high	89.3	Confident	44 Å²	44	48.7 Å²	48.7	36%	0.364	26%	0.255	S	S	.	.	H	α-helix	trans	-68.3	-42.7	179.4	0	0	0	0	0	112.5	H1005 I1006 G1012 E1013 I1044	H1005-A1009 WeakPolarHBondContact O-CB 3.31Å; H1005-A1009 PolarHBondContact O-N 2.91Å; H1005-A1009 VanDerWaalsContact O-N 3.13Å; I1006-A1009 PolarHBondContact O-N 3.22Å; A1009-G1012 PolarHBondContact O-N 2.91Å; A1009-E1013 PolarHBondContact O-N 3.49Å; A1009-I1044 HydrophobicContact CB-CD1 3.89Å
1010	Q	93.9	Very high	89	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.4	-41.6	174.3	-73.5	179.8	-5.1	0	0	111.7	V948 M950 I1006 G1012 E1013 V1014 L1030 T1032 I1044	V948-Q1010 PolarHBondContact O-NE2 2.73Å; V948-Q1010 VanDerWaalsContact O-NE2 3.11Å; M950-Q1010 HydrophobicContact CB-CB 4.42Å; M950-Q1010 HydrophobicContact CE-CB 3.67Å; M950-Q1010 HydrophobicContact SD-CB 4.08Å; I1006-Q1010 HydrophobicContact CG2-CG 4.5Å; I1006-Q1010 WeakPolarHBondContact O-CB 3.35Å; I1006-Q1010 WeakPolarHBondContact O-CG 3.27Å; I1006-Q1010 PolarHBondContact O-N 2.91Å; Q1010-G1012 VanDerWaalsContact C-N 3.31Å; Q1010-G1012 PolarHBondContact O-N 3.04Å; Q1010-E1013 PolarHBondContact O-N 2.91Å; Q1010-V1014 WeakPolarHBondContact O-CG2 3.27Å; Q1010-V1014 PolarHBondContact O-N 2.88Å; Q1010-L1030 HydrophobicContact CB-CD1 4.09Å; Q1010-L1030 HydrophobicContact CG-CB 4.15Å; Q1010-L1030 HydrophobicContact CG-CD1 4.41Å; Q1010-L1030 VanDerWaalsContact O-CD1 3.26Å; Q1010-L1030 WeakPolarHBondContact O-CD1 3.26Å; Q1010-T1032 PolarHBondContact NE2-OG1 3.23Å; Q1010-I1044 HydrophobicContact CG-CD1 4.07Å; Q1010-I1044 HydrophobicContact CG-CG1 4.34Å; Q1010-I1044 HydrophobicContact CG-CG2 4.33Å
1011	L	94.5	Very high	88.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.1	-35	173.3	-80.4	166.8	0	0	0	112.6	M950 F977 F979 P986 I989 V1007 E1008 V1014 I1015	M950-L1011 HydrophobicContact CE-CD2 4.47Å; M950-L1011 HydrophobicContact CE-CG 3.99Å; M950-L1011 HydrophobicContact SD-CD2 4.02Å; M950-L1011 HydrophobicContact SD-CG 4.08Å; F977-L1011 HydrophobicContact CE2-CD2 3.9Å; F977-L1011 HydrophobicContact CZ-CD2 3.99Å; F979-L1011 HydrophobicContact CD1-CD2 4.26Å; F979-L1011 HydrophobicContact CE1-CD2 3.6Å; F979-L1011 HydrophobicContact CE2-CD2 4.34Å; F979-L1011 HydrophobicContact CZ-CD2 3.64Å; P986-L1011 HydrophobicContact CB-CB 3.81Å; P986-L1011 HydrophobicContact CB-CD1 4.5Å; P986-L1011 HydrophobicContact CG-CB 4.08Å; I989-L1011 HydrophobicContact CB-CD1 3.76Å; I989-L1011 HydrophobicContact CD1-CD1 4.15Å; I989-L1011 HydrophobicContact CD1-CD2 4.35Å; I989-L1011 HydrophobicContact CG2-CD1 3.62Å; V1007-L1011 HydrophobicContact CG1-CD1 3.94Å; V1007-L1011 HydrophobicContact CG1-CG 4.5Å; V1007-L1011 VanDerWaalsContact O-CB 3.27Å; V1007-L1011 WeakPolarHBondContact O-CB 3.21Å; V1007-L1011 VanDerWaalsContact O-CG 3.32Å; V1007-L1011 WeakPolarHBondContact O-CG 3.24Å; V1007-L1011 PolarHBondContact O-N 3.06Å; E1008-L1011 PolarHBondContact O-N 3.37Å; L1011-V1014 PolarHBondContact O-N 3.39Å; L1011-I1015 WeakPolarHBondContact O-CB 3.47Å; L1011-I1015 VanDerWaalsContact O-CG1 3.29Å; L1011-I1015 WeakPolarHBondContact O-CG1 3.43Å; L1011-I1015 PolarHBondContact O-N 3.25Å
1012	G	92	Very high	87.4	Confident	30 Å²	30	45.3 Å²	45.3	31%	0.309	26%	0.257	S	S	.	.	H	α-helix	trans	-57.5	-49.7	171.2	0	0	0	0	0	112.4	E1008 A1009 Q1010 I1015 Q1016	E1008-G1012 PolarHBondContact O-N 2.95Å; A1009-G1012 PolarHBondContact O-N 2.91Å; Q1010-G1012 VanDerWaalsContact C-N 3.31Å; Q1010-G1012 PolarHBondContact O-N 3.04Å; G1012-I1015 PolarHBondContact O-N 2.9Å; G1012-Q1016 WeakPolarHBondContact O-CB 3.47Å; G1012-Q1016 PolarHBondContact O-N 2.93Å
1013	E	89.9	Confident	86.5	Confident	72 Å²	72	48 Å²	48	34%	0.336	26%	0.262	S	S	.	.	H	α-helix	trans	-63.5	-40.3	175.1	-78	-168.9	-178.2	0	0	112.5	A1009 Q1010 Q1016 L1017 L1030 I1044	A1009-E1013 PolarHBondContact O-N 3.49Å; Q1010-E1013 PolarHBondContact O-N 2.91Å; E1013-Q1016 PolarHBondContact O-N 3.38Å; E1013-L1017 VanDerWaalsContact O-CB 3.25Å; E1013-L1017 WeakPolarHBondContact O-CB 3.31Å; E1013-L1017 PolarHBondContact O-N 2.9Å; E1013-L1030 HydrophobicContact CB-CD1 3.67Å; E1013-L1030 WeakPolarHBondContact OE2-CD2 3.49Å; E1013-I1044 HydrophobicContact CG-CD1 4.22Å; E1013-I1044 WeakPolarHBondContact OE2-CG2 3.3Å
1014	V	90.6	Very high	85.6	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-46.9	176	172.2	0	0	0	0	111.3	M950 I952 V964 F979 Q1010 L1011 L1017 I1018 L1030	M950-V1014 HydrophobicContact SD-CG2 3.96Å; I952-V1014 HydrophobicContact CD1-CB 4.36Å; I952-V1014 HydrophobicContact CD1-CG1 3.88Å; I952-V1014 HydrophobicContact CD1-CG2 4.06Å; I952-V1014 HydrophobicContact CG1-CG1 3.9Å; I952-V1014 HydrophobicContact CG1-CG2 3.96Å; V964-V1014 HydrophobicContact CG1-CG1 3.98Å; F979-V1014 HydrophobicContact CZ-CG1 3.82Å; Q1010-V1014 WeakPolarHBondContact O-CG2 3.27Å; Q1010-V1014 PolarHBondContact O-N 2.88Å; L1011-V1014 PolarHBondContact O-N 3.39Å; V1014-L1017 PolarHBondContact O-N 2.9Å; V1014-I1018 HydrophobicContact CG1-CD1 3.72Å; V1014-I1018 WeakPolarHBondContact O-CB 3.46Å; V1014-I1018 WeakPolarHBondContact O-CG1 3.3Å; V1014-I1018 PolarHBondContact O-N 3.44Å; V1014-L1030 HydrophobicContact CG2-CD1 3.81Å
1015	I	90.3	Very high	84.9	Confident	25 Å²	25	53.6 Å²	53.6	13%	0.128	28%	0.284	C	S	.	.	H	α-helix	trans	-60.7	-46.5	176.9	-71	170.9	0	0	0	110	F979 P981 P986 L1011 G1012 L1017 I1018 N1019	F979-I1015 HydrophobicContact CE2-CD1 4.18Å; F979-I1015 HydrophobicContact CE2-CG1 3.73Å; F979-I1015 HydrophobicContact CZ-CG1 4.4Å; P981-I1015 HydrophobicContact CB-CB 4.45Å; P981-I1015 HydrophobicContact CB-CG1 3.92Å; P981-I1015 HydrophobicContact CB-CG2 4.21Å; P986-I1015 HydrophobicContact CG-CD1 3.71Å; L1011-I1015 WeakPolarHBondContact O-CB 3.47Å; L1011-I1015 VanDerWaalsContact O-CG1 3.29Å; L1011-I1015 WeakPolarHBondContact O-CG1 3.43Å; L1011-I1015 PolarHBondContact O-N 3.25Å; G1012-I1015 PolarHBondContact O-N 2.9Å; I1015-L1017 PolarHBondContact O-N 3.47Å; I1015-I1018 PolarHBondContact O-N 2.94Å; I1015-N1019 WeakPolarHBondContact CG2-ND2 3.36Å; I1015-N1019 WeakPolarHBondContact O-CB 3.33Å; I1015-N1019 PolarHBondContact O-N 3.32Å; I1015-N1019 PolarHBondContact O-ND2 2.96Å
1016	Q	87.3	Confident	84.7	Confident	135 Å²	135	49.5 Å²	49.5	63%	0.631	27%	0.269	S	S	*	.	H	α-helix	trans	-63.6	-41.6	-179.9	-170.5	172.1	11.3	0	0	112.3	G1012 E1013 S1020	G1012-Q1016 WeakPolarHBondContact O-CB 3.47Å; G1012-Q1016 PolarHBondContact O-N 2.93Å; E1013-Q1016 PolarHBondContact O-N 3.38Å; Q1016-S1020 WeakPolarHBondContact O-CB 3.34Å; Q1016-S1020 PolarHBondContact O-N 2.82Å; Q1016-S1020 PolarHBondContact O-OG 2.99Å
1017	L	87.3	Confident	84.5	Confident	46 Å²	46	50.7 Å²	50.7	24%	0.241	28%	0.283	C	S	.	.	H	α-helix	trans	-66.3	-43.1	179.7	-173.5	63.6	0	0	0	111.9	I952 E1013 V1014 I1015 S1020 D1021 T1028 M1048	I952-L1017 HydrophobicContact CD1-CD2 3.97Å; E1013-L1017 VanDerWaalsContact O-CB 3.25Å; E1013-L1017 WeakPolarHBondContact O-CB 3.31Å; E1013-L1017 PolarHBondContact O-N 2.9Å; V1014-L1017 PolarHBondContact O-N 2.9Å; I1015-L1017 PolarHBondContact O-N 3.47Å; L1017-S1020 PolarHBondContact O-N 2.82Å; L1017-D1021 PolarHBondContact O-N 3.19Å; L1017-T1028 HydrophobicContact CD2-CG2 3.9Å; L1017-M1048 HydrophobicContact CD1-CE 4.22Å
1018	I	84.9	Confident	84.4	Confident	13 Å²	13	50.7 Å²	50.7	7%	0.067	28%	0.284	C	S	.	.	H	α-helix	trans	-75.7	-36.2	-178.9	-66.2	175.8	0	0	0	111.5	I952 V964 V1014 I1015 S1020 G1022	I952-I1018 HydrophobicContact CD1-CD1 4.12Å; I952-I1018 HydrophobicContact CD1-CG1 4.31Å; I952-I1018 HydrophobicContact CG2-CD1 3.97Å; V964-I1018 HydrophobicContact CB-CD1 4.08Å; V964-I1018 HydrophobicContact CG1-CD1 3.37Å; V964-I1018 HydrophobicContact CG2-CD1 3.48Å; V964-I1018 VanDerWaalsContact CG2-CD1 3.48Å; V964-I1018 HydrophobicContact CG2-CG2 3.98Å; V1014-I1018 HydrophobicContact CG1-CD1 3.72Å; V1014-I1018 WeakPolarHBondContact O-CB 3.46Å; V1014-I1018 WeakPolarHBondContact O-CG1 3.3Å; V1014-I1018 PolarHBondContact O-N 3.44Å; I1015-I1018 PolarHBondContact O-N 2.94Å; I1018-S1020 PolarHBondContact O-N 2.99Å; I1018-G1022 VanDerWaalsContact O-CA 3.23Å; I1018-G1022 WeakPolarHBondContact O-CA 3.35Å; I1018-G1022 PolarHBondContact O-N 2.96Å
1019	N	84.1	Confident	84.3	Confident	109 Å²	109	52.5 Å²	52.5	58%	0.583	29%	0.291	S	S	*	.	H	α-helix	trans	-68.6	-18.4	171.3	-69.1	-7.8	0	0	0	112.8	I1015	I1015-N1019 WeakPolarHBondContact CG2-ND2 3.36Å; I1015-N1019 WeakPolarHBondContact O-CB 3.33Å; I1015-N1019 PolarHBondContact O-N 3.32Å; I1015-N1019 PolarHBondContact O-ND2 2.96Å
1020	S	81.1	Confident	84.3	Confident	92 Å²	92	50.6 Å²	50.6	64%	0.643	27%	0.274	S	S	*	.	H	α-helix	trans	-84.9	-46.1	175	-60.3	0	0	0	0	112.3	Q1016 L1017 I1018	Q1016-S1020 WeakPolarHBondContact O-CB 3.34Å; Q1016-S1020 PolarHBondContact O-N 2.82Å; Q1016-S1020 PolarHBondContact O-OG 2.99Å; L1017-S1020 PolarHBondContact O-N 2.82Å; I1018-S1020 PolarHBondContact O-N 2.99Å
1021	D	72.4	Confident	84.1	Confident	70 Å²	70	51.1 Å²	51.1	37%	0.374	28%	0.279	S	S	.	.			trans	-158.8	82.2	-176.6	-149.8	-39.1	0	0	0	110.6	L1017 K1023 K1024	L1017-D1021 PolarHBondContact O-N 3.19Å; D1021-K1023 PolarHBondContact O-N 3.33Å; D1021-K1024 HydrophobicContact CB-CB 4.22Å; D1021-K1024 HydrophobicContact CB-CD 4.12Å; D1021-K1024 HydrophobicContact CB-CG 4.29Å; D1021-K1024 PolarHBondContact O-N 3.44Å; D1021-K1024 VanDerWaalsContact OD2-CD 3.31Å; D1021-K1024 WeakPolarHBondContact OD2-CD 3.44Å; D1021-K1024 WeakPolarHBondContact OD2-CE 3.47Å; D1021-K1024 IonicContact OD2-NZ 3.67Å; D1021-K1024 PolarHBondContact OD2-NZ 3.03Å
1022	G	66.8	Low	83.7	Confident	18 Å²	18	51.2 Å²	51.2	19%	0.186	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.1	-162.6	0	0	0	0	0	117	I1018	I1018-G1022 VanDerWaalsContact O-CA 3.23Å; I1018-G1022 WeakPolarHBondContact O-CA 3.35Å; I1018-G1022 PolarHBondContact O-N 2.96Å
1023	K	67.1	Low	83	Confident	145 Å²	145	52.6 Å²	52.6	63%	0.63	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-12.7	176.3	-66.9	-176.1	175.6	78.3	0	114.5	E957 D1021	E957-K1023 IonicContact OE1-NZ 3.86Å; E957-K1023 PolarHBondContact OE1-NZ 3.22Å; E957-K1023 IonicContact OE2-NZ 2.72Å; E957-K1023 PolarHBondContact OE2-NZ 3.12Å; D1021-K1023 PolarHBondContact O-N 3.33Å
1024	K	69.6	Low	82	Confident	131 Å²	131	51 Å²	51	57%	0.57	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-18.7	175.5	-64.8	-176.7	-171.7	153.6	0	113.9	D1021 V1026	D1021-K1024 HydrophobicContact CB-CB 4.22Å; D1021-K1024 HydrophobicContact CB-CD 4.12Å; D1021-K1024 HydrophobicContact CB-CG 4.29Å; D1021-K1024 PolarHBondContact O-N 3.44Å; D1021-K1024 VanDerWaalsContact OD2-CD 3.31Å; D1021-K1024 WeakPolarHBondContact OD2-CD 3.44Å; D1021-K1024 WeakPolarHBondContact OD2-CE 3.47Å; D1021-K1024 IonicContact OD2-NZ 3.67Å; D1021-K1024 PolarHBondContact OD2-NZ 3.03Å; K1024-V1026 VanDerWaalsContact C-N 3.34Å
1025	G	73.9	Confident	80.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-67.6	-31.3	177.3	0	0	0	0	0	113.8	I952 G1027 T1028	I952-G1025 WeakPolarHBondContact CD1-O 3.42Å; G1025-G1027 PolarHBondContact O-N 3.05Å; G1025-T1028 WeakPolarHBondContact O-CB 3.49Å; G1025-T1028 PolarHBondContact O-N 2.84Å; G1025-T1028 PolarHBondContact O-OG1 2.92Å
1026	V	85.9	Confident	78.6	Confident	57 Å²	57	56 Å²	56	35%	0.345	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	129.6	-174.4	-175.9	0	0	0	0	111.6	I952 K1024	I952-V1026 HydrophobicContact CG2-CG2 4.41Å; K1024-V1026 VanDerWaalsContact C-N 3.34Å
1027	G	86.3	Confident	76.5	Confident	32 Å²	32	56.1 Å²	56.1	33%	0.33	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	-5.4	-174.2	0	0	0	0	0	115.2	I952 G1025	I952-G1027 PolarHBondContact O-N 3.28Å; G1025-G1027 PolarHBondContact O-N 3.05Å
1028	T	88.7	Confident	74.7	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.006	33%	0.325	C	S	.	.			trans	-69.7	135.5	176.2	-58.6	0	0	0	0	111.1	E951 I952 L1017 G1025 L1030 M1048	E951-T1028 WeakPolarHBondContact CA-O 3.36Å; I952-T1028 PolarHBondContact N-O 2.88Å; L1017-T1028 HydrophobicContact CD2-CG2 3.9Å; G1025-T1028 WeakPolarHBondContact O-CB 3.49Å; G1025-T1028 PolarHBondContact O-N 2.84Å; G1025-T1028 PolarHBondContact O-OG1 2.92Å; T1028-L1030 HydrophobicContact CG2-CD2 4.19Å; T1028-M1048 HydrophobicContact CG2-CG 3.98Å
1029	K	92.1	Very high	72.9	Confident	81 Å²	81	64 Å²	64	35%	0.352	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	112.2	177.3	-77.6	178.1	173.5	168.6	0	111.4	M950 E951 V1047	M950-K1029 CarbonylContact O-C 3.56Å; M950-K1029 WeakPolarHBondContact O-CA 3.14Å; E951-K1029 HydrophobicContact CB-CG 4.11Å; E951-K1029 HydrophobicContact CG-CG 4.07Å; E951-K1029 WeakPolarHBondContact OE1-CE 3.01Å; E951-K1029 IonicContact OE1-NZ 2.64Å; E951-K1029 PolarHBondContact OE1-NZ 2.98Å; E951-K1029 WeakPolarHBondContact OE2-CE 3.27Å; E951-K1029 IonicContact OE2-NZ 2.68Å; E951-K1029 PolarHBondContact OE2-NZ 2.81Å; E951-K1029 VanDerWaalsContact OE2-NZ 3.1Å; K1029-V1047 HydrophobicContact CB-CB 4.41Å; K1029-V1047 PolarHBondContact N-O 2.94Å; K1029-V1047 PolarHBondContact O-N 2.56Å
1030	L	91.5	Very high	70.8	Confident	5 Å²	5	66 Å²	66	3%	0.026	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	124.8	168.2	-54.1	-173.4	0	0	0	108.5	V949 M950 Q1010 E1013 V1014 T1028 I1044 A1046	V949-L1030 CarbonylContact C-O 3.53Å; V949-L1030 VanDerWaalsContact CA-O 3.29Å; V949-L1030 WeakPolarHBondContact CA-O 3.47Å; M950-L1030 HydrophobicContact CB-CB 4.49Å; M950-L1030 PolarHBondContact N-O 2.98Å; M950-L1030 PolarHBondContact O-N 2.97Å; Q1010-L1030 HydrophobicContact CB-CD1 4.09Å; Q1010-L1030 HydrophobicContact CG-CB 4.15Å; Q1010-L1030 HydrophobicContact CG-CD1 4.41Å; Q1010-L1030 VanDerWaalsContact O-CD1 3.26Å; Q1010-L1030 WeakPolarHBondContact O-CD1 3.26Å; E1013-L1030 HydrophobicContact CB-CD1 3.67Å; E1013-L1030 WeakPolarHBondContact OE2-CD2 3.49Å; V1014-L1030 HydrophobicContact CG2-CD1 3.81Å; T1028-L1030 HydrophobicContact CG2-CD2 4.19Å; L1030-I1044 HydrophobicContact CB-CG2 3.9Å; L1030-I1044 HydrophobicContact CD2-CG2 4.31Å; L1030-I1044 HydrophobicContact CG-CG2 4.49Å; L1030-A1046 HydrophobicContact CD2-CB 3.62Å
1031	A	89.8	Confident	69.1	Low	11 Å²	11	66.8 Å²	66.8	9%	0.091	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	124.2	179.8	0	0	0	0	0	111.2	V949 T1045	V949-A1031 HydrophobicContact CG2-CB 4.21Å; A1031-T1045 PolarHBondContact N-O 2.89Å; A1031-T1045 WeakPolarHBondContact O-CB 3.27Å; A1031-T1045 PolarHBondContact O-N 3.07Å
1032	T	85.7	Confident	68.4	Low	2 Å²	2	66.4 Å²	66.4	1%	0.012	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.7	176.2	-60.2	0	0	0	0	109.3	K947 V948 I1006 Q1010 P1042	K947-T1032 WeakPolarHBondContact CA-O 3.3Å; V948-T1032 PolarHBondContact N-O 2.76Å; V948-T1032 PolarHBondContact O-N 2.85Å; I1006-T1032 HydrophobicContact CD1-CG2 3.93Å; I1006-T1032 HydrophobicContact CG1-CG2 4.07Å; I1006-T1032 HydrophobicContact CG2-CG2 3.74Å; Q1010-T1032 PolarHBondContact NE2-OG1 3.23Å; T1032-P1042 HydrophobicContact CG2-CB 3.66Å
1033	V	77.9	Confident	68.4	Low	58 Å²	58	70.4 Å²	70.4	35%	0.352	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.7	178.7	177.4	0	0	0	0	109.3	K945 K947	K945-V1033 HydrophobicContact CB-CG1 3.81Å; K945-V1033 HydrophobicContact CD-CG1 4.14Å; K945-V1033 HydrophobicContact CG-CG1 4.16Å; K947-V1033 HydrophobicContact CG-CG2 4.17Å
1034	L	67.9	Low	68.9	Low	39 Å²	39	65.1 Å²	65.1	20%	0.204	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	118.8	170.3	-77.1	153.9	0	0	0	110.3	R946 I1006	R946-L1034 HydrophobicContact CB-CB 4.13Å; R946-L1034 HydrophobicContact CB-CD1 4.19Å; R946-L1034 PolarHBondContact N-O 2.86Å; R946-L1034 WeakPolarHBondContact O-CB 3.07Å; R946-L1034 PolarHBondContact O-N 3.41Å; I1006-L1034 HydrophobicContact CD1-CD1 3.71Å; I1006-L1034 HydrophobicContact CD1-CD2 3.64Å; I1006-L1034 HydrophobicContact CD1-CG 3.57Å
1035	D	60.5	Low	69.3	Low	40 Å²	40	62.6 Å²	62.6	21%	0.214	37%	0.371	C	S	.	.			trans	-96.6	122	156.4	-70.1	-81.6	0	0	0	108.2	R227 N1037 S1038	R227-D1035 IonicContact CZ-OD1 2.76Å; R227-D1035 IonicContact CZ-OD2 2.64Å; R227-D1035 IonicContact NH1-OD2 2.89Å; R227-D1035 PolarHBondContact NH1-OD2 2.89Å; R227-D1035 IonicContact NH2-OD1 2.7Å; R227-D1035 PolarHBondContact NH2-OD1 3.46Å; R227-D1035 IonicContact NH2-OD2 2.67Å; R227-D1035 PolarHBondContact NH2-OD2 2.8Å; D1035-N1037 PolarHBondContact O-N 2.86Å; D1035-S1038 PolarHBondContact O-N 2.79Å
1036	P	49.2	Very low	69.4	Low	91 Å²	91	65.4 Å²	65.4	59%	0.591	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	10.9	-167.2	30.8	-37.9	0	0	0	115.4
1037	N	43.9	Very low	68.8	Low	138 Å²	138	66.8 Å²	66.8	74%	0.738	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	13.9	-174.2	-83.7	69.3	0	0	0	112.6	D1035	D1035-N1037 PolarHBondContact O-N 2.86Å
1038	S	49.6	Very low	67.4	Low	72 Å²	72	69.9 Å²	69.9	50%	0.503	41%	0.409	S	S	.	.			trans	-106.2	139.3	176.2	-171.8	0	0	0	0	112.1	D1035 E1040	D1035-S1038 PolarHBondContact O-N 2.79Å; S1038-E1040 PolarHBondContact OG-N 3.44Å
1039	T	46.4	Very low	65.3	Low	151 Å²	151	73.3 Å²	73.3	93%	0.926	43%	0.432	S	S	*	.			trans	-96.4	-1.1	173.5	-27.6	0	0	0	0	112.4
1040	E	39.8	Very low	62.6	Low	153 Å²	153	78.2 Å²	78.2	72%	0.715	45%	0.453	S	S	*	.	S	Bend	trans	-76.7	150.9	176.4	-71	-159.6	138	0	0	112.5	S1038	S1038-E1040 PolarHBondContact OG-N 3.44Å
1041	P	47.1	Very low	59.7	Low	108 Å²	108	85.8 Å²	85.8	70%	0.701	49%	0.494	S	S	*	.			trans	-61.9	142.4	177.6	25.7	-34.7	0	0	0	112	T1043	P1041-T1043 PolarHBondContact O-N 2.86Å
1042	P	57.7	Low	56.8	Low	61 Å²	61	90.6 Å²	90.6	40%	0.396	53%	0.527	S	S	.	.			trans	-66	108.3	-173.5	25.3	-34.1	0	0	0	111.9	I1006 T1032 I1044	I1006-P1042 HydrophobicContact CD1-CB 4.15Å; I1006-P1042 HydrophobicContact CD1-CG 4.48Å; I1006-P1042 HydrophobicContact CG1-CB 3.9Å; I1006-P1042 HydrophobicContact CG1-CG 3.81Å; T1032-P1042 HydrophobicContact CG2-CB 3.66Å; P1042-I1044 PolarHBondContact O-N 2.87Å
1043	T	65.3	Low	54	Low	103 Å²	103	96.1 Å²	96.1	63%	0.632	57%	0.565	S	S	*	*			trans	-65.2	116.7	177.8	-64	0	0	0	0	110.7	P1041	P1041-T1043 PolarHBondContact O-N 2.86Å
1044	I	77.8	Confident	51.6	Low	33 Å²	33	97.4 Å²	97.4	17%	0.169	58%	0.582	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.5	132.2	169.3	-52.7	174.8	0	0	0	108.3	A1009 Q1010 E1013 L1030 P1042	A1009-I1044 HydrophobicContact CB-CD1 3.89Å; Q1010-I1044 HydrophobicContact CG-CD1 4.07Å; Q1010-I1044 HydrophobicContact CG-CG1 4.34Å; Q1010-I1044 HydrophobicContact CG-CG2 4.33Å; E1013-I1044 HydrophobicContact CG-CD1 4.22Å; E1013-I1044 WeakPolarHBondContact OE2-CG2 3.3Å; L1030-I1044 HydrophobicContact CB-CG2 3.9Å; L1030-I1044 HydrophobicContact CD2-CG2 4.31Å; L1030-I1044 HydrophobicContact CG-CG2 4.49Å; P1042-I1044 PolarHBondContact O-N 2.87Å
1045	T	79.2	Confident	49.5	Very low	78 Å²	78	100.9 Å²	100.9	48%	0.479	62%	0.616	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.9	101	173.4	-51.4	0	0	0	0	108.8	A1031	A1031-T1045 PolarHBondContact N-O 2.89Å; A1031-T1045 WeakPolarHBondContact O-CB 3.27Å; A1031-T1045 PolarHBondContact O-N 3.07Å
1046	A	75.7	Confident	48	Very low	59 Å²	59	105.1 Å²	105.1	49%	0.488	64%	0.644	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.6	122.7	173.4	0	0	0	0	0	111	L1030	L1030-A1046 HydrophobicContact CD2-CB 3.62Å
1047	V	71.8	Confident	47	Very low	87 Å²	87	104.8 Å²	104.8	53%	0.527	65%	0.648	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.1	97.4	168.2	-177.4	0	0	0	0	107.4	K1029	K1029-V1047 HydrophobicContact CB-CB 4.41Å; K1029-V1047 PolarHBondContact N-O 2.94Å; K1029-V1047 PolarHBondContact O-N 2.56Å
1048	M	56.8	Low	46.3	Very low	96 Å²	96	103.5 Å²	103.5	47%	0.473	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-72.1	149.4	168	-61.4	-167.2	79.5	0	0	109.8	L1017 T1028 K1050	L1017-M1048 HydrophobicContact CD1-CE 4.22Å; T1028-M1048 HydrophobicContact CG2-CG 3.98Å; M1048-K1050 PolarHBondContact O-N 2.64Å
1049	P	45.1	Very low	45.2	Very low	73 Å²	73	107 Å²	107	47%	0.474	66%	0.664	S	S	.	*	P	Polyproline II helix	trans	-58.9	128.8	168.9	25.7	-33.3	0	0	0	109.5	D1051	P1049-D1051 PolarHBondContact O-N 2.6Å
1050	K	35.6	Very low	44.3	Very low	185 Å²	185	105.5 Å²	105.5	80%	0.804	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-60.5	133.5	172.5	-102.5	-174.9	174.8	-178.9	0	109.3	M1048 S1052	M1048-K1050 PolarHBondContact O-N 2.64Å; K1050-S1052 PolarHBondContact O-N 3.19Å
1051	D	30.3	Very low	43.6	Very low	164 Å²	164	107.8 Å²	107.8	88%	0.877	66%	0.662	S	S	*	*			trans	-51.8	104.8	176.7	-72.3	-67.1	0	0	0	111.7	P1049	P1049-D1051 PolarHBondContact O-N 2.6Å
1052	S	30	Very low	42.7	Very low	112 Å²	112	108.5 Å²	108.5	78%	0.783	67%	0.667	S	S	*	*			trans	-76	119.4	154.6	-62.7	0	0	0	0	106.2	K1050 A1054	K1050-S1052 PolarHBondContact O-N 3.19Å; S1052-A1054 PolarHBondContact O-N 3.33Å
1053	S	26.1	Very low	41.3	Very low	117 Å²	117	115 Å²	115	82%	0.818	69%	0.688	S	S	*	*	S	Bend	trans	-56.8	112.3	-165.2	54.2	0	0	0	0	113.6
1054	A	27.1	Very low	39.6	Very low	85 Å²	85	116.6 Å²	116.6	70%	0.702	69%	0.692	S	S	*	*			trans	50.3	86.5	159.2	0	0	0	0	0	117.5	S1052 T1056	S1052-A1054 PolarHBondContact O-N 3.33Å; A1054-T1056 VanDerWaalsContact C-N 3.33Å; A1054-T1056 PolarHBondContact O-N 3.24Å
1055	A	24.1	Very low	37.2	Very low	112 Å²	112	123.8 Å²	123.8	93%	0.926	73%	0.725	S	S	*	*			trans	-81	79.5	151.6	0	0	0	0	0	110.2
1056	T	29.4	Very low	35	Very low	130 Å²	130	126.8 Å²	126.8	80%	0.798	74%	0.736	S	S	*	*			trans	-95.4	145.1	167.4	-54.7	0	0	0	0	109.7	A1054	A1054-T1056 VanDerWaalsContact C-N 3.33Å; A1054-T1056 PolarHBondContact O-N 3.24Å
1057	A	29.1	Very low	32.7	Very low	83 Å²	83	130.8 Å²	130.8	69%	0.686	75%	0.745	S	S	*	*			trans	-69.9	151.9	-165.5	0	0	0	0	0	115.6
1058	S	27.6	Very low	30.8	Very low	111 Å²	111	134 Å²	134	78%	0.776	75%	0.752	S	S	*	*			trans	57.7	103.6	146.4	62	0	0	0	0	120.2
1059	N	26.6	Very low	29.6	Very low	147 Å²	147	135.4 Å²	135.4	79%	0.786	77%	0.766	S	S	*	*				108.3	144.9	118.2	-134.3	-3.6	0	0	0	120.7
1060	T	27	Very low	29.2	Very low	118 Å²	118	137.6 Å²	137.6	72%	0.724	78%	0.78	S	S	*	*			trans	55.6	98.8	162.1	43.5	0	0	0	0	121.2
1061	K	26	Very low	29.6	Very low	201 Å²	201	134.1 Å²	134.1	87%	0.874	78%	0.776	S	S	*	*			trans	17	123.4	130.9	-165.5	175.8	-173.8	176.3	0	118
1062	P	28.9	Very low	29.7	Very low	124 Å²	124	131.5 Å²	131.5	81%	0.805	77%	0.766	S	S	*	*			trans	-78.9	151.7	-171	32.7	-37.3	0	0	0	115
1063	K	28.3	Very low	29.9	Very low	197 Å²	197	134.6 Å²	134.6	86%	0.857	76%	0.761	S	S	*	*			trans	-136.3	144.8	142.1	-165.4	-179.6	176.6	-163.6	0	109.5
1064	I	28.4	Very low	30	Very low	137 Å²	137	133.7 Å²	133.7	70%	0.703	75%	0.747	S	S	*	*			trans	-81.8	139	-174.4	-62.3	151.1	0	0	0	111
1065	E	27.1	Very low	30.4	Very low	184 Å²	184	133.2 Å²	133.2	86%	0.86	74%	0.743	S	S	*	*				-161.2	-178.9	126.8	-113.3	170	129.3	0	0	112.7
1066	I	34.2	Very low	30.9	Very low	140 Å²	140	133.4 Å²	133.4	72%	0.718	74%	0.738	S	S	*	*			trans	-117.9	159.9	-144.9	-71	167.3	0	0	0	113.1
1067	E	26.9	Very low	30.8	Very low	144 Å²	144	136.8 Å²	136.8	67%	0.673	74%	0.744	S	S	*	*			trans	-7.3	146.8	164.1	-74.1	-172	93.5	0	0	118.9
1068	K	31.1	Very low	30.7	Very low	154 Å²	154	141.4 Å²	141.4	67%	0.67	75%	0.752	S	S	*	*			cis	-167.3	131.1	46.9	-136.3	148.8	-175.3	118.4	0	114.6
1069	T	32.6	Very low	31.1	Very low	126 Å²	126	140.9 Å²	140.9	77%	0.773	75%	0.746	S	S	*	*			trans	37.3	131.3	149.2	49.3	0	0	0	0	124.6
1070	P	37.5	Very low	31.1	Very low	118 Å²	118	140.8 Å²	140.8	77%	0.766	75%	0.745	S	S	*	*			trans	-98.3	-150.6	170.5	43.7	-33.4	0	0	0	111
1071	P	42.9	Very low	31.1	Very low	112 Å²	112	141.6 Å²	141.6	73%	0.727	75%	0.745	S	S	*	*			cis	-142.8	-158.2	-1.2	38.9	-14.5	0	0	0	116.6
1072	T	32.7	Very low	31.3	Very low	109 Å²	109	137.3 Å²	137.3	67%	0.669	74%	0.735	S	S	*	*			trans	132.5	98.3	131.4	-33	0	0	0	0	118.8
1073	R	33.9	Very low	31.2	Very low	177 Å²	177	139 Å²	139	67%	0.668	73%	0.733	S	S	*	*			trans	59.7	157	134.8	-56	-174.7	87.6	134.5	11.3	122
1074	D	27.7	Very low	31.2	Very low	98 Å²	98	135.1 Å²	135.1	52%	0.524	73%	0.725	S	S	.	*			cis	-166.8	157	-14.5	-95	6.2	0	0	0	105.2
1075	A	37.1	Very low	31.3	Very low	76 Å²	76	134 Å²	134	63%	0.628	72%	0.724	S	S	*	*			cis	-149.9	-82.3	-7.1	0	0	0	0	0	113.8
1076	S	33	Very low	31.3	Very low	115 Å²	115	132.2 Å²	132.2	80%	0.804	72%	0.721	S	S	*	*			trans	-139.5	129.2	-151.9	-53.5	0	0	0	0	119.9
1077	Q	28.3	Very low	30.9	Very low	202 Å²	202	131 Å²	131	94%	0.944	72%	0.72	S	S	*	*			trans	-164.9	162.2	133	-127	178.9	5.9	0	0	111
1078	E	27.2	Very low	31.1	Very low	180 Å²	180	135 Å²	135	84%	0.841	73%	0.729	S	S	*	*			trans	-74.2	167.7	172.2	-92.5	-159.2	101.5	0	0	112.8
1079	P	34.8	Very low	31	Very low	99 Å²	99	134.9 Å²	134.9	64%	0.643	73%	0.728	S	S	*	*			cis	-134.1	-179.5	5.5	41.4	-24.8	0	0	0	116.3
1080	N	27.5	Very low	30.8	Very low	146 Å²	146	131.5 Å²	131.5	78%	0.781	71%	0.707	S	S	*	*			trans	56.2	124.2	145.7	-83.7	-47.4	0	0	0	123.3
1081	N	26.8	Very low	30.6	Very low	134 Å²	134	128.3 Å²	128.3	72%	0.717	69%	0.688	S	S	*	*			trans	60.5	124.5	134.1	-144.2	16	0	0	0	117.8
1082	V	30.8	Very low	29.9	Very low	111 Å²	111	128.8 Å²	128.8	67%	0.673	68%	0.68	S	S	*	*				-161.7	139	69.5	156.1	0	0	0	0	111.6
1083	Q	27	Very low	29.7	Very low	161 Å²	161	130.7 Å²	130.7	75%	0.752	68%	0.682	S	S	*	*			trans	23.8	148.2	147.5	-50.4	176.4	9.8	0	0	120.3
1084	V	28.4	Very low	29.5	Very low	114 Å²	114	128 Å²	128	69%	0.691	69%	0.69	S	S	*	*				-162.2	122.3	58	165.3	0	0	0	0	112.6
1085	T	30.2	Very low	29.4	Very low	113 Å²	113	131.3 Å²	131.3	69%	0.693	71%	0.708	S	S	*	*			trans	43.8	140.7	152.6	69	0	0	0	0	125.6
1086	N	26.4	Very low	28.9	Very low	148 Å²	148	131.5 Å²	131.5	79%	0.791	71%	0.71	S	S	*	*				110.6	117.9	129.9	-82.8	-14.9	0	0	0	123.7
1087	V	27.3	Very low	28.5	Very low	114 Å²	114	134.7 Å²	134.7	69%	0.691	71%	0.712	S	S	*	*			trans	95	111.3	139.2	174.9	0	0	0	0	122.7
1088	R	30	Very low	28.3	Very low	229 Å²	229	129.7 Å²	129.7	86%	0.864	70%	0.699	S	S	*	*			trans	77.6	154.5	148.6	-80.7	178.2	173.5	155.2	0.1	121.2
1089	K	28.2	Very low	28.3	Very low	151 Å²	151	126.6 Å²	126.6	66%	0.657	69%	0.692	S	S	*	*			cis	-179.6	134.6	-3.8	169.1	-151.7	170.5	-165.4	0	118.4	Q839 N840	Q839-K1089 CarbonylContact O-C 3.57Å; N840-K1089 WeakPolarHBondContact CB-O 3.44Å
1090	V	30.1	Very low	28	Very low	54 Å²	54	128.5 Å²	128.5	33%	0.327	69%	0.692	S	S	.	*			trans	55.9	87.7	148.6	-171.3	0	0	0	0	128.3	V838 Q839 N840	V838-V1090 HydrophobicContact CB-CG1 4.05Å; V838-V1090 HydrophobicContact CB-CG2 4.17Å; V838-V1090 HydrophobicContact CG2-CG1 4.11Å; V838-V1090 HydrophobicContact CG2-CG2 3.76Å; V838-V1090 WeakPolarHBondContact O-CG2 3.46Å; Q839-V1090 VanDerWaalsContact C-CA 3.42Å; Q839-V1090 VanDerWaalsContact C-N 3.29Å; Q839-V1090 VanDerWaalsContact O-CA 3.31Å; Q839-V1090 WeakPolarHBondContact O-CA 3.39Å; Q839-V1090 PolarHBondContact O-N 3.21Å; N840-V1090 VanDerWaalsContact CB-N 3.26Å; N840-V1090 VanDerWaalsContact ND2-C 3.26Å; N840-V1090 PolarHBondContact ND2-O 3.14Å
1091	S	31.6	Very low	28	Very low	51 Å²	51	126 Å²	126	36%	0.357	69%	0.686	S	S	.	*			trans	172.3	152.4	151.8	-48.7	0	0	0	0	110.4	Q839 N840	Q839-S1091 VanDerWaalsContact CB-C 3.42Å; Q839-S1091 VanDerWaalsContact CB-CA 3.45Å; Q839-S1091 WeakPolarHBondContact CB-O 3.29Å; Q839-S1091 VanDerWaalsContact OE1-CA 3.32Å; N840-S1091 WeakPolarHBondContact CA-O 3.49Å; N840-S1091 VanDerWaalsContact CG-CA 3.5Å; N840-S1091 VanDerWaalsContact CG-O 3.3Å; N840-S1091 VanDerWaalsContact N-N 3.11Å; N840-S1091 PolarHBondContact N-O 3.47Å; N840-S1091 WeakPolarHBondContact ND2-CB 3.48Å; N840-S1091 PolarHBondContact ND2-N 3.44Å; N840-S1091 PolarHBondContact ND2-OG 2.97Å; N840-S1091 VanDerWaalsContact ND2-OG 3.07Å; N840-S1091 VanDerWaalsContact OD1-C 3.26Å; N840-S1091 WeakPolarHBondContact OD1-CA 3.23Å; N840-S1091 VanDerWaalsContact OD1-CB 3.24Å; N840-S1091 WeakPolarHBondContact OD1-CB 3.24Å; N840-S1091 PolarHBondContact OD1-N 3.34Å; N840-S1091 PolarHBondContact OD1-O 3.01Å
1092	Q	28.9	Very low	28.3	Very low	123 Å²	123	126.1 Å²	126.1	58%	0.575	69%	0.685	S	S	*	*			cis	-133.4	-125.5	-15	-149.3	62.5	43.4	0	0	112.6	Q839	Q839-Q1092 VanDerWaalsContact CG-O 3.26Å; Q839-Q1092 WeakPolarHBondContact CG-O 3.23Å; Q839-Q1092 PolarHBondContact NE2-O 3.38Å; Q839-Q1092 VanDerWaalsContact NE2-O 3.16Å
1093	E	27.8	Very low	28.2	Very low	149 Å²	149	126.1 Å²	126.1	70%	0.696	69%	0.688	S	S	*	*			trans	-154	161.5	-155.4	-67	157.9	93.1	0	0	117.1
1094	S	31	Very low	28.3	Very low	121 Å²	121	127.6 Å²	127.6	85%	0.846	69%	0.686	S	S	*	*				-177.3	157.5	128.7	52.7	0	0	0	0	114.8
1095	N	25.3	Very low	28.4	Very low	166 Å²	166	128.7 Å²	128.7	89%	0.888	70%	0.696	S	S	*	*			trans	-80.9	173.2	-176.9	-72.3	-34.3	0	0	0	113.8
1096	A	26.8	Very low	28.3	Very low	81 Å²	81	126.9 Å²	126.9	67%	0.669	70%	0.7	S	S	*	*			cis	-153.9	-178.8	22.3	0	0	0	0	0	115.3
1097	E	24.6	Very low	28.4	Very low	182 Å²	182	123.7 Å²	123.7	85%	0.85	70%	0.702	S	S	*	*			trans	5.1	150.2	152.3	-62.7	173.2	86.8	0	0	121.4
1098	S	24.7	Very low	28.3	Very low	96 Å²	96	125.9 Å²	125.9	67%	0.671	71%	0.708	S	S	*	*			cis	-158.4	137.8	11.2	-144.3	0	0	0	0	116
1099	V	26.7	Very low	28.1	Very low	116 Å²	116	122.9 Å²	122.9	70%	0.703	71%	0.708	S	S	*	*			trans	32.7	120.7	138.5	-174.4	0	0	0	0	122.3
1100	Q	27.1	Very low	28	Very low	138 Å²	138	121.1 Å²	121.1	65%	0.645	71%	0.709	S	S	*	*				-165.9	131.1	121.8	-107.5	148.3	109.5	0	0	111
1101	S	28.9	Very low	27.9	Very low	94 Å²	94	126.5 Å²	126.5	66%	0.657	73%	0.733	S	S	*	*				-175	162	70.1	39.6	0	0	0	0	109.4
1102	I	31.8	Very low	27.7	Very low	136 Å²	136	129.3 Å²	129.3	70%	0.697	75%	0.752	S	S	*	*	S	Bend	cis	-166.2	158.6	-7.1	-105.4	163.6	0	0	0	106
1103	P	30.3	Very low	28.1	Very low	111 Å²	111	129 Å²	129	72%	0.721	76%	0.761	S	S	*	*			cis	-103.3	138.5	-18.4	18.9	1.3	0	0	0	111.3
1104	R	27.8	Very low	28.2	Very low	192 Å²	192	127.7 Å²	127.7	73%	0.725	76%	0.763	S	S	*	*				70.8	117.5	74.4	-73.9	-166.8	173.5	-158.3	-0.4	115.5
1105	P	31.8	Very low	28	Very low	137 Å²	137	128.1 Å²	128.1	89%	0.89	76%	0.756	S	S	*	*			trans	-91.5	-179.9	169.3	39.8	-36	0	0	0	111.9
1106	G	28.1	Very low	28.2	Very low	76 Å²	76	129 Å²	129	78%	0.784	76%	0.755	S	S	*	*			trans	175.3	129.6	161	0	0	0	0	0	116.5
1107	G	26.9	Very low	28.3	Very low	81 Å²	81	130.6 Å²	130.6	84%	0.835	76%	0.757	S	S	*	*			trans	88.3	101.3	137.8	0	0	0	0	0	118.9
1108	I	25.7	Very low	28.6	Very low	160 Å²	160	129 Å²	129	82%	0.821	75%	0.754	S	S	*	*			trans	-56	136.3	152.7	-60.4	157.3	0	0	0	110.1
1109	I	26.9	Very low	28.7	Very low	165 Å²	165	129.4 Å²	129.4	85%	0.846	76%	0.757	S	S	*	*			trans	-171.2	159.5	131.4	-99.7	162.8	0	0	0	110.3
1110	V	25.4	Very low	28.9	Very low	114 Å²	114	128.7 Å²	128.7	69%	0.691	76%	0.763	S	S	*	*			trans	-106.4	154.1	-163.6	166.5	0	0	0	0	112.5
1111	M	28.1	Very low	29.4	Very low	167 Å²	167	127.9 Å²	127.9	82%	0.823	77%	0.77	S	S	*	*			trans	69.1	116	171.7	-77	159.2	160.4	0	0	116.8
1112	S	26.6	Very low	29.8	Very low	110 Å²	110	129.1 Å²	129.1	77%	0.769	78%	0.775	S	S	*	*				67.4	154.3	63.1	-56.6	0	0	0	0	114.5
1113	P	38.4	Very low	30	Very low	117 Å²	117	128.1 Å²	128.1	76%	0.76	78%	0.778	S	S	*	*			cis	-101.4	-135.5	-1.7	22.2	0.6	0	0	0	110
1114	T	28.7	Very low	29.9	Very low	121 Å²	121	127.6 Å²	127.6	74%	0.742	77%	0.773	S	S	*	*			cis	-167.1	157.3	0.8	-3.3	0	0	0	0	106
1115	N	27.1	Very low	30.3	Very low	130 Å²	130	122 Å²	122	70%	0.695	78%	0.775	S	S	*	*			cis	-159.8	145.9	-9.8	-165.4	14.7	0	0	0	110.3
1116	Q	30.6	Very low	30.2	Very low	184 Å²	184	120.9 Å²	120.9	86%	0.86	78%	0.777	S	S	*	*			trans	-165.7	137.5	139.1	-123.9	160.2	109.2	0	0	112.2
1117	T	28.6	Very low	30.4	Very low	116 Å²	116	122 Å²	122	71%	0.712	78%	0.779	S	S	*	*			trans	-59.2	147.6	169.8	43.1	0	0	0	0	111.4
1118	D	29.5	Very low	30.7	Very low	149 Å²	149	122.5 Å²	122.5	80%	0.797	78%	0.775	S	S	*	*				-156.8	-161.1	66	-143.5	-36.2	0	0	0	114.4
1119	S	28.1	Very low	31.1	Very low	104 Å²	104	124.7 Å²	124.7	73%	0.727	78%	0.779	S	S	*	*			trans	-129.2	135.8	-146.8	-38.2	0	0	0	0	115
1120	A	31.1	Very low	32	Very low	100 Å²	100	122.4 Å²	122.4	83%	0.826	78%	0.775	S	S	*	*			trans	167.7	149.2	145.9	0	0	0	0	0	113
1121	P	36.3	Very low	33.6	Very low	121 Å²	121	120.4 Å²	120.4	79%	0.786	77%	0.766	S	S	*	*			trans	-105.4	159.8	177.4	39.2	-33.8	0	0	0	115
1122	P	37.5	Very low	35.9	Very low	120 Å²	120	115.9 Å²	115.9	78%	0.779	74%	0.739	S	S	*	*			trans	-94	158.6	165.6	36.8	-32.3	0	0	0	113.1
1123	P	36.9	Very low	38.3	Very low	115 Å²	115	111 Å²	111	75%	0.747	71%	0.705	S	S	*	*			trans	-95.4	176.3	-165.3	38.4	-38.6	0	0	0	115.9
1124	T	28.9	Very low	39.9	Very low	101 Å²	101	111.3 Å²	111.3	62%	0.62	70%	0.696	S	S	*	*			trans	-67.3	152.8	176.5	53.9	0	0	0	0	113.9	D1329	T1124-D1329 VanDerWaalsContact CG2-OD1 3.23Å; T1124-D1329 WeakPolarHBondContact CG2-OD1 3.32Å; T1124-D1329 PolarHBondContact OG1-OD1 2.74Å; T1124-D1329 PolarHBondContact OG1-OD2 2.93Å
1125	G	34.8	Very low	41.2	Very low	74 Å²	74	108.3 Å²	108.3	76%	0.763	68%	0.677	S	S	*	*			trans	-149.6	130.6	172.2	0	0	0	0	0	110.9	A1127	G1125-A1127 PolarHBondContact O-N 2.89Å
1126	A	29.9	Very low	42.5	Very low	113 Å²	113	104 Å²	104	93%	0.934	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-70.9	126.6	-169.7	0	0	0	0	0	113
1127	A	33.3	Very low	42.8	Very low	99 Å²	99	102.5 Å²	102.5	82%	0.818	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-88.8	124.4	173.4	0	0	0	0	0	111.1	G1125	G1125-A1127 PolarHBondContact O-N 2.89Å
1128	A	32	Very low	43	Very low	92 Å²	92	102.3 Å²	102.3	76%	0.76	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-65.3	145.8	160.6	0	0	0	0	0	109.5
1129	K	34.6	Very low	42.9	Very low	207 Å²	207	99.7 Å²	99.7	90%	0.9	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-56.4	127.6	179.8	-67.6	-174.2	177.8	-174.5	0	110.1
1130	P	45.6	Very low	42.9	Very low	117 Å²	117	102.2 Å²	102.2	76%	0.76	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-67.1	155.9	175.5	29	-34.7	0	0	0	110.7	R1132	P1130-R1132 PolarHBondContact O-N 3.44Å; P1130-R1132 VanDerWaalsContact O-N 3.15Å
1131	S	58.3	Low	43.5	Very low	72 Å²	72	102.4 Å²	102.4	50%	0.503	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-60.8	119.4	172.6	179.6	0	0	0	0	110.3	F1133	S1131-F1133 PolarHBondContact O-N 2.92Å; S1131-F1133 PolarHBondContact OG-N 3.36Å; S1131-F1133 PolarHBondContact OG-O 2.96Å
1132	R	76.2	Confident	43	Very low	71 Å²	71	104.5 Å²	104.5	27%	0.268	65%	0.649	S	S	.	*	S	Bend	trans	-62.2	-19	173.2	177.8	173.6	173.1	165	-2.1	113.2	F647 A648 D654 V659 P1130	F647-R1132 WeakPolarHBondContact CA-O 3.34Å; A648-R1132 HydrophobicContact CB-CG 4.5Å; A648-R1132 VanDerWaalsContact O-CZ 3.28Å; A648-R1132 PolarHBondContact O-NE 2.82Å; A648-R1132 PolarHBondContact O-NH2 3.36Å; D654-R1132 VanDerWaalsContact CG-NH1 3.29Å; D654-R1132 IonicContact OD1-CZ 3.34Å; D654-R1132 IonicContact OD1-NH1 2.78Å; D654-R1132 PolarHBondContact OD1-NH1 2.82Å; D654-R1132 IonicContact OD1-NH2 2.75Å; D654-R1132 PolarHBondContact OD1-NH2 2.89Å; D654-R1132 IonicContact OD2-CZ 3.81Å; D654-R1132 VanDerWaalsContact OD2-CZ 3.22Å; D654-R1132 IonicContact OD2-NH1 3.58Å; D654-R1132 PolarHBondContact OD2-NH1 3.07Å; D654-R1132 VanDerWaalsContact OD2-NH1 3.11Å; D654-R1132 IonicContact OD2-NH2 3.53Å; D654-R1132 PolarHBondContact OD2-NH2 3.49Å; V659-R1132 VanDerWaalsContact CG2-NH2 3.27Å; P1130-R1132 PolarHBondContact O-N 3.44Å; P1130-R1132 VanDerWaalsContact O-N 3.15Å
1133	F	78.2	Confident	42.7	Very low	9 Å²	9	103.2 Å²	103.2	4%	0.039	65%	0.649	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.8	128.7	-176.6	-58.1	-89.4	0	0	0	109.9	L645 F647 Q662 M663 Q666 S1131	L645-F1133 HydrophobicContact CD1-CB 4.39Å; F647-F1133 HydrophobicContact CB-CD1 3.57Å; F647-F1133 HydrophobicContact CB-CE1 3.67Å; F647-F1133 HydrophobicContact CB-CG 4.48Å; F647-F1133 HydrophobicContact CG-CD1 4.47Å; F647-F1133 HydrophobicContact CG-CE1 4.28Å; Q662-F1133 HydrophobicContact CB-CE2 4.02Å; Q662-F1133 HydrophobicContact CB-CZ 3.91Å; M663-F1133 HydrophobicContact CE-CD1 4.44Å; M663-F1133 HydrophobicContact CE-CE1 3.76Å; M663-F1133 HydrophobicContact CG-CD1 3.99Å; M663-F1133 HydrophobicContact CG-CE1 3.36Å; M663-F1133 HydrophobicContact CG-CZ 4.07Å; M663-F1133 HydrophobicContact SD-CE1 4.42Å; Q666-F1133 VanDerWaalsContact NE2-CE2 3.28Å; S1131-F1133 PolarHBondContact O-N 2.92Å; S1131-F1133 PolarHBondContact OG-N 3.36Å; S1131-F1133 PolarHBondContact OG-O 2.96Å
1134	Q	72.1	Confident	42.4	Very low	123 Å²	123	103.5 Å²	103.5	58%	0.575	65%	0.649	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-134.6	135.5	180	-61.6	-170.3	18.1	0	0	110.9	Q646	Q646-Q1134 WeakPolarHBondContact CA-O 3.5Å; Q646-Q1134 WeakPolarHBondContact CB-O 3.39Å; Q646-Q1134 PolarHBondContact N-O 3.19Å; Q646-Q1134 PolarHBondContact O-N 2.9Å
1135	V	56.1	Low	42.7	Very low	58 Å²	58	104.6 Å²	104.6	35%	0.352	66%	0.658	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.6	95.6	172.1	-178.1	0	0	0	0	107.9	F639 E643 L645 K1137	F639-V1135 HydrophobicContact CB-CG1 4.22Å; F639-V1135 HydrophobicContact CB-CG2 4.2Å; E643-V1135 HydrophobicContact CB-CG1 4.15Å; L645-V1135 HydrophobicContact CD1-CG2 4.18Å; V1135-K1137 PolarHBondContact O-N 3.03Å
1136	T	53.1	Low	42.6	Very low	39 Å²	39	108.1 Å²	108.1	24%	0.239	66%	0.658	C	S	.	*	P	Polyproline II helix	trans	-77.4	118.7	-176.9	60.4	0	0	0	0	111.2	K609 Q646	K609-T1136 PolarHBondContact NZ-OG1 3.36Å; Q646-T1136 HydrophobicContact CB-CG2 4.47Å
1137	K	38.3	Very low	42.7	Very low	153 Å²	153	107.2 Å²	107.2	67%	0.665	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-76.1	137.3	167.9	-56.7	-169.7	178.1	164.2	0	110.7	E643 V1135	E643-K1137 WeakPolarHBondContact OE1-CA 3.46Å; E643-K1137 WeakPolarHBondContact OE1-CB 3.26Å; E643-K1137 WeakPolarHBondContact OE1-CG 3.37Å; V1135-K1137 PolarHBondContact O-N 3.03Å
1138	S	31.4	Very low	42.6	Very low	112 Å²	112	107.1 Å²	107.1	78%	0.783	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-80.2	119.5	171.4	-56.6	0	0	0	0	109.8
1139	A	29.3	Very low	42.5	Very low	94 Å²	94	107.2 Å²	107.2	78%	0.777	63%	0.633	S	S	*	*			trans	-149	129.8	178.3	0	0	0	0	0	112.2
1140	D	26.4	Very low	42.3	Very low	157 Å²	157	104.3 Å²	104.3	84%	0.84	63%	0.625	S	S	*	*			trans	-152.3	146	172.3	-106	-40.2	0	0	0	107.3
1141	P	43.5	Very low	41.5	Very low	104 Å²	104	103.5 Å²	103.5	68%	0.675	62%	0.623	S	S	*	*				-127.9	-156.9	-50.3	27.3	-7	0	0	0	110.4
1142	I	26.9	Very low	40.3	Very low	164 Å²	164	106.8 Å²	106.8	84%	0.841	64%	0.64	S	S	*	*			trans	76.7	103.7	168.4	-46.7	166.3	0	0	0	116.4
1143	A	31.4	Very low	38.3	Very low	93 Å²	93	107.2 Å²	107.2	77%	0.769	66%	0.659	S	S	*	*				177.2	125.8	116.4	0	0	0	0	0	112.2
1144	T	30.1	Very low	36.1	Very low	121 Å²	121	113.1 Å²	113.1	74%	0.742	70%	0.696	S	S	*	*			trans	-71.1	153.3	164.8	50.1	0	0	0	0	111.2
1145	P	35.3	Very low	34.3	Very low	125 Å²	125	113 Å²	113	81%	0.812	70%	0.703	S	S	*	*				-134.4	144.7	105.4	37.1	-29.1	0	0	0	115.3
1146	I	32.7	Very low	33.3	Very low	148 Å²	148	117.4 Å²	117.4	76%	0.759	72%	0.723	S	S	*	*			trans	-102.2	141	167.7	-63	164.5	0	0	0	104.7
1147	S	32.3	Very low	32.7	Very low	94 Å²	94	120.6 Å²	120.6	66%	0.657	75%	0.745	S	S	*	*			cis	-154.3	167	17.9	-136.9	0	0	0	0	114.4
1148	S	30.9	Very low	32.4	Very low	96 Å²	96	120.2 Å²	120.2	67%	0.671	75%	0.748	S	S	*	*			trans	-10.3	154.2	137.6	62.2	0	0	0	0	118.9
1149	S	29.8	Very low	32.6	Very low	94 Å²	94	121.5 Å²	121.5	66%	0.657	75%	0.751	S	S	*	*			cis	178.8	-171.6	2.2	43.5	0	0	0	0	111.1
1150	I	31.4	Very low	32.7	Very low	146 Å²	146	121 Å²	121	75%	0.749	75%	0.747	S	S	*	*			trans	80.6	104.8	165.8	-56.7	157	0	0	0	112.8
1151	S	28.8	Very low	33.1	Very low	101 Å²	101	118.4 Å²	118.4	71%	0.706	75%	0.747	S	S	*	*				70.3	122.2	50.2	-48.1	0	0	0	0	112.6
1152	T	32.1	Very low	32.5	Very low	140 Å²	140	119.9 Å²	119.9	86%	0.859	75%	0.754	S	S	*	*				-178	167.8	66.1	40.1	0	0	0	0	108
1153	A	33.9	Very low	33.2	Very low	80 Å²	80	117 Å²	117	66%	0.661	75%	0.747	S	S	*	*			cis	-173.6	-170.2	-21.7	0	0	0	0	0	107.8
1154	T	32.9	Very low	33.1	Very low	134 Å²	134	118.6 Å²	118.6	82%	0.822	75%	0.747	S	S	*	*			trans	76.7	127	149	-59.7	0	0	0	0	117.9
1155	V	33.8	Very low	33.1	Very low	119 Å²	119	119.2 Å²	119.2	72%	0.721	75%	0.745	S	S	*	*			cis	-169.9	161.8	-6.6	84.6	0	0	0	0	114.8
1156	I	35	Very low	33	Very low	152 Å²	152	116.9 Å²	116.9	78%	0.779	73%	0.725	S	S	*	*			trans	78.4	145.2	156.6	-78.3	169.4	0	0	0	121.5
1157	P	40.2	Very low	33	Very low	106 Å²	106	116.9 Å²	116.9	69%	0.688	73%	0.733	S	S	*	*			trans	-135.6	-151.3	-157.3	37.4	-12.4	0	0	0	114.6
1158	I	33.5	Very low	32.9	Very low	144 Å²	144	117.5 Å²	117.5	74%	0.738	74%	0.737	S	S	*	*			trans	128.4	114	148.4	-71.4	166.2	0	0	0	116.8
1159	V	35.3	Very low	32.9	Very low	140 Å²	140	119.4 Å²	119.4	85%	0.848	74%	0.735	S	S	*	*			trans	58.6	142	142.6	166.5	0	0	0	0	119.8
1160	A	31	Very low	33.1	Very low	84 Å²	84	118.7 Å²	118.7	69%	0.694	73%	0.728	S	S	*	*			cis	-169.2	-175.9	-14.9	0	0	0	0	0	111.1
1161	A	33.9	Very low	32.9	Very low	102 Å²	102	117.2 Å²	117.2	84%	0.843	73%	0.726	S	S	*	*			trans	77.8	156.3	160.3	0	0	0	0	0	119.8
1162	T	32.2	Very low	33.1	Very low	134 Å²	134	119.4 Å²	119.4	82%	0.822	73%	0.728	S	S	*	*			trans	-79.1	166.1	177.8	49.1	0	0	0	0	113.2
1163	P	39.8	Very low	33.1	Very low	105 Å²	105	117.8 Å²	117.8	68%	0.682	72%	0.718	S	S	*	*			cis	-127.9	-175.9	-14.7	34.6	-15.4	0	0	0	113
1164	T	30.6	Very low	33	Very low	125 Å²	125	122 Å²	122	77%	0.767	72%	0.724	S	S	*	*			trans	28.4	128.5	147.7	58.8	0	0	0	0	118.7
1165	N	30.1	Very low	33.4	Very low	134 Å²	134	120.4 Å²	120.4	72%	0.717	72%	0.716	S	S	*	*			cis	-178.8	179	46	-163.2	11.1	0	0	0	112.3
1166	I	32.9	Very low	33.3	Very low	76 Å²	76	122 Å²	122	39%	0.39	72%	0.718	S	S	.	*			trans	41.9	110.5	156.5	45.4	169.2	0	0	0	121.1	E1169 P1170	I1166-E1169 WeakPolarHBondContact CD1-OE1 3.27Å; I1166-P1170 HydrophobicContact CG2-CG 4.12Å
1167	T	32.9	Very low	33.3	Very low	149 Å²	149	120.8 Å²	120.8	91%	0.914	72%	0.719	S	S	*	*	S	Bend		-154.8	123.1	110.7	-64.7	0	0	0	0	105.8
1168	S	29.3	Very low	33	Very low	107 Å²	107	119.8 Å²	119.8	75%	0.748	72%	0.719	S	S	*	*	S	Bend	cis	-89.4	147.6	16.8	52.9	0	0	0	0	117.3
1169	E	31.4	Very low	33	Very low	136 Å²	136	121.3 Å²	121.3	64%	0.636	72%	0.723	S	S	*	*			trans	-67.5	165.7	178.2	-83.8	-86.3	84.7	0	0	115.6	I1166	I1166-E1169 WeakPolarHBondContact CD1-OE1 3.27Å
1170	P	33.4	Very low	33	Very low	78 Å²	78	119.8 Å²	119.8	51%	0.506	71%	0.714	S	S	.	*			trans	-146.9	-157.6	-133.5	34	-6.2	0	0	0	115.5	I1166	I1166-P1170 HydrophobicContact CG2-CG 4.12Å
1171	V	28.6	Very low	33.2	Very low	115 Å²	115	122.8 Å²	122.8	70%	0.697	72%	0.716	S	S	*	*			trans	73.3	119.8	131.8	141.5	0	0	0	0	121.4
1172	I	31.5	Very low	33.4	Very low	148 Å²	148	122.8 Å²	122.8	76%	0.759	71%	0.706	S	S	*	*			trans	69.3	142.9	134.6	-70.8	-177.6	0	0	0	120.1
1173	V	31.9	Very low	33.5	Very low	106 Å²	106	124.5 Å²	124.5	64%	0.642	70%	0.704	S	S	*	*			cis	-169.5	158.9	-22	80.7	0	0	0	0	110.9
1174	Q	32	Very low	33.1	Very low	169 Å²	169	127.2 Å²	127.2	79%	0.79	71%	0.712	S	S	*	*			trans	64.5	179.7	164.5	-65.9	177.3	36.1	0	0	116.2
1175	P	41.9	Very low	33.1	Very low	99 Å²	99	125.8 Å²	125.8	64%	0.643	71%	0.714	S	S	*	*				-135.3	169.4	-69.8	41.3	-26.2	0	0	0	115.9
1176	I	31.2	Very low	33.1	Very low	152 Å²	152	125.7 Å²	125.7	78%	0.779	72%	0.718	S	S	*	*			trans	65.4	127.6	164.3	-20.5	-179.6	0	0	0	119.2
1177	T	35.2	Very low	33.6	Very low	128 Å²	128	127.5 Å²	127.5	79%	0.785	74%	0.735	S	S	*	*			trans	77.8	133.1	157.7	4.4	0	0	0	0	120.8
1178	A	33.7	Very low	33.7	Very low	84 Å²	84	125.8 Å²	125.8	69%	0.694	73%	0.729	S	S	*	*			trans	14.7	146.3	139.9	0	0	0	0	0	120.9
1179	Q	35.2	Very low	34.5	Very low	177 Å²	177	125.8 Å²	125.8	83%	0.827	73%	0.726	S	S	*	*			cis	-171	-178.6	3.3	-126	-178.2	6.9	0	0	111
1180	V	33.6	Very low	34.5	Very low	107 Å²	107	125.8 Å²	125.8	65%	0.648	74%	0.735	S	S	*	*			trans	71.4	102.1	157.5	165.5	0	0	0	0	115.7
1181	I	36.7	Very low	34.1	Very low	147 Å²	147	126.1 Å²	126.1	75%	0.754	74%	0.739	S	S	*	*				78.2	134.8	89.8	-75.9	170.2	0	0	0	112.1
1182	T	36.4	Very low	34.1	Very low	103 Å²	103	129.5 Å²	129.5	63%	0.632	75%	0.747	S	S	*	*			cis	-138	143.7	28.4	40.7	0	0	0	0	115.1
1183	H	34.5	Very low	34	Very low	169 Å²	169	127.6 Å²	127.6	78%	0.782	75%	0.747	S	S	*	*			trans	50.5	145	142.1	-44	-40.6	0	0	0	120.9
1184	L	31.5	Very low	33.8	Very low	162 Å²	162	130.5 Å²	130.5	85%	0.848	76%	0.758	S	S	*	*			cis	-152.7	159.9	33.2	-164.7	70.3	0	0	0	112.1
1185	A	30.9	Very low	33.6	Very low	96 Å²	96	127 Å²	127	79%	0.793	75%	0.752	S	S	*	*	S	Bend	trans	67.4	48.5	163.3	0	0	0	0	0	120
1186	T	30.4	Very low	32.9	Very low	132 Å²	132	127 Å²	127	81%	0.81	75%	0.754	S	S	*	*			trans	-140.3	-175.4	153.9	60.8	0	0	0	0	107.2
1187	P	44	Very low	32.8	Very low	114 Å²	114	126.7 Å²	126.7	74%	0.74	75%	0.754	S	S	*	*			cis	-138.5	-162	0.7	43.3	-23.8	0	0	0	114.7
1188	S	34.3	Very low	32.4	Very low	112 Å²	112	125.5 Å²	125.5	78%	0.783	75%	0.751	S	S	*	*			trans	-96.9	-109.9	159.9	-53.4	0	0	0	0	113.2
1189	P	45.3	Very low	32.7	Very low	107 Å²	107	127.3 Å²	127.3	70%	0.695	76%	0.759	S	S	*	*				-126.1	-165.4	-115.7	37.2	-18.9	0	0	0	116
1190	V	31.4	Very low	32.5	Very low	137 Å²	137	125 Å²	125	83%	0.83	76%	0.76	S	S	*	*			trans	67.2	153.3	168.1	-55.1	0	0	0	0	117.3
1191	S	26.1	Very low	32.2	Very low	85 Å²	85	125.1 Å²	125.1	59%	0.594	77%	0.765	S	S	*	*			cis	-134.3	173.5	12.8	-49.6	0	0	0	0	111.4
1192	H	28.3	Very low	31.8	Very low	185 Å²	185	123.2 Å²	123.2	86%	0.856	77%	0.771	S	S	*	*				-175.5	171.3	76.6	-87.3	-76.8	0	0	0	112.4
1193	S	28.6	Very low	31.6	Very low	108 Å²	108	123.6 Å²	123.6	76%	0.755	77%	0.773	S	S	*	*			trans	-74.5	152.1	179.5	-35.3	0	0	0	0	114.6
1194	L	27.8	Very low	31.4	Very low	168 Å²	168	120.6 Å²	120.6	88%	0.88	77%	0.767	S	S	*	*				167.5	163.2	124	-90.2	172.5	0	0	0	113.3
1195	S	27.7	Very low	31.5	Very low	95 Å²	95	120.9 Å²	120.9	66%	0.664	76%	0.764	S	S	*	*			trans	-30.2	143.6	177.3	-42.8	0	0	0	0	120.9
1196	S	28.4	Very low	31.6	Very low	98 Å²	98	120.8 Å²	120.8	69%	0.685	76%	0.757	S	S	*	*			trans	51.8	137	134.5	65	0	0	0	0	122.3
1197	N	29.1	Very low	31.7	Very low	146 Å²	146	120.7 Å²	120.7	78%	0.781	75%	0.752	S	S	*	*			trans	72.4	117.6	160.2	-63.7	-8.8	0	0	0	118.6
1198	S	26.8	Very low	31.4	Very low	103 Å²	103	124 Å²	124	72%	0.72	76%	0.76	S	S	*	*				42.4	110	124.7	-48	0	0	0	0	119.9
1199	S	38.8	Very low	31.7	Very low	123 Å²	123	122.8 Å²	122.8	86%	0.86	75%	0.751	S	S	*	*			trans	36.3	107.6	140.8	-55.5	0	0	0	0	119.9
1200	P	31.9	Very low	31.4	Very low	129 Å²	129	122.1 Å²	122.1	84%	0.838	75%	0.749	S	S	*	*			trans	-111.9	147.9	144.7	-2.7	23.6	0	0	0	112.9
1201	S	27.7	Very low	31.6	Very low	108 Å²	108	122.3 Å²	122.3	76%	0.755	74%	0.744	S	S	*	*			trans	-65.9	145.7	179.8	-55.2	0	0	0	0	113.9	T1203	S1201-T1203 PolarHBondContact O-N 2.9Å
1202	A	28.3	Very low	32	Very low	108 Å²	108	126 Å²	126	89%	0.893	75%	0.752	S	S	*	*			trans	-75.6	117.9	162.4	0	0	0	0	0	110.1
1203	T	31.4	Very low	32.5	Very low	110 Å²	110	121.3 Å²	121.3	68%	0.675	74%	0.739	S	S	*	*			trans	-162.3	124.9	-178	-41	0	0	0	0	106.4	S1201	S1201-T1203 PolarHBondContact O-N 2.9Å
1204	T	30.7	Very low	32.8	Very low	106 Å²	106	121.4 Å²	121.4	65%	0.65	74%	0.736	S	S	*	*			cis	-157.3	175	-3.5	13.7	0	0	0	0	108.1
1205	H	33.7	Very low	33.3	Very low	169 Å²	169	119 Å²	119	78%	0.782	73%	0.729	S	S	*	*				165.3	98.6	128.4	-85.5	-57.7	0	0	0	108.1
1206	S	33.8	Very low	33.7	Very low	93 Å²	93	119.3 Å²	119.3	65%	0.65	73%	0.73	S	S	*	*				78.4	147.6	78.5	73.9	0	0	0	0	112.8
1207	N	32.7	Very low	34.1	Very low	131 Å²	131	121.1 Å²	121.1	70%	0.701	74%	0.737	S	S	*	*			cis	-157.9	155.6	21.3	-157	-1.4	0	0	0	113.1
1208	M	36	Very low	34.8	Very low	183 Å²	183	120.3 Å²	120.3	90%	0.901	74%	0.74	S	S	*	*	S	Bend	trans	161.2	94.1	150.2	-92.7	-174.9	85.8	0	0	106.4
1209	S	40.8	Very low	34.8	Very low	87 Å²	87	119.1 Å²	119.1	61%	0.608	74%	0.744	S	S	*	*			cis	-146.9	-159.2	6.5	-58.5	0	0	0	0	108.7
1210	S	39.4	Very low	34.6	Very low	93 Å²	93	124.6 Å²	124.6	65%	0.65	75%	0.746	S	S	*	*			cis	-165.8	177.6	13.8	-144.1	0	0	0	0	114.2
1211	I	35.5	Very low	34.4	Very low	141 Å²	141	127.6 Å²	127.6	72%	0.723	74%	0.74	S	S	*	*			trans	0.9	130.8	147	-59.8	162.7	0	0	0	116.2
1212	Q	35.3	Very low	34.6	Very low	163 Å²	163	130.4 Å²	130.4	76%	0.762	74%	0.739	S	S	*	*			cis	-179.7	174.2	-18.2	-123.3	169.2	-73.9	0	0	107.2
1213	S	38.5	Very low	34.5	Very low	85 Å²	85	131 Å²	131	59%	0.594	73%	0.731	S	S	*	*			cis	-152	163.9	6.5	-83.6	0	0	0	0	106.9
1214	T	35.4	Very low	34.3	Very low	110 Å²	110	132 Å²	132	68%	0.675	74%	0.738	S	S	*	*			cis	79.8	133	28.9	71.1	0	0	0	0	114.7
1215	T	36.8	Very low	34.1	Very low	119 Å²	119	135.3 Å²	135.3	73%	0.73	75%	0.746	S	S	*	*			cis	-170.6	146.8	12.3	0.6	0	0	0	0	115.7
1216	S	36.5	Very low	34.6	Very low	100 Å²	100	132.1 Å²	132.1	70%	0.699	74%	0.74	S	S	*	*			trans	39.3	166.5	136.9	64.3	0	0	0	0	123.8
1217	V	37.1	Very low	34.3	Very low	137 Å²	137	133.5 Å²	133.5	83%	0.83	74%	0.744	S	S	*	*			cis	-151.7	170.7	31	-101.8	0	0	0	0	114.8
1218	P	43.7	Very low	34.3	Very low	129 Å²	129	132.3 Å²	132.3	84%	0.838	75%	0.746	S	S	*	*			trans	-118.1	177.4	-168.5	43.7	-35.1	0	0	0	118.5
1219	G	26.5	Very low	34.1	Very low	78 Å²	78	132.3 Å²	132.3	80%	0.804	74%	0.744	S	S	*	*			trans	-172	134.9	168.1	0	0	0	0	0	122
1220	R	34.2	Very low	33.5	Very low	238 Å²	238	132.5 Å²	132.5	90%	0.898	75%	0.751	S	S	*	*			trans	66.8	110.5	155.2	-76.7	-171.1	172.5	-169.3	0.2	125.6
1221	R	28.4	Very low	33.2	Very low	191 Å²	191	136.5 Å²	136.5	72%	0.721	76%	0.759	S	S	*	*				60.4	112.9	114.4	-163.9	-167.2	-167.7	-175.9	6	123.1
1222	F	32.3	Very low	32.9	Very low	168 Å²	168	135.3 Å²	135.3	74%	0.737	76%	0.764	S	S	*	*				165.7	173.5	121.8	-100.9	-66.2	0	0	0	114.6
1223	T	26.6	Very low	32.7	Very low	119 Å²	119	130.6 Å²	130.6	73%	0.73	76%	0.758	S	S	*	*			trans	-81.5	177.6	-179.5	44.4	0	0	0	0	112.7
1224	V	27	Very low	32.2	Very low	133 Å²	133	134.5 Å²	134.5	81%	0.806	77%	0.771	S	S	*	*			cis	-155	169.9	33.2	-162.3	0	0	0	0	112.1
1225	Q	25	Very low	31.9	Very low	175 Å²	175	134.6 Å²	134.6	82%	0.818	78%	0.776	S	S	*	*			trans	-65.9	-172.1	160.4	-126.7	178.1	7.5	0	0	112.3
1226	P	44.2	Very low	31.7	Very low	101 Å²	101	134.7 Å²	134.7	66%	0.656	78%	0.782	S	S	*	*			cis	-146.5	-160.5	0.9	44.1	-21.9	0	0	0	117.8
1227	V	28.4	Very low	31.4	Very low	122 Å²	122	136.3 Å²	136.3	74%	0.739	79%	0.793	S	S	*	*			trans	75.6	106.9	150.7	162.8	0	0	0	0	118.7
1228	S	31.8	Very low	30.9	Very low	107 Å²	107	137.2 Å²	137.2	75%	0.748	79%	0.792	S	S	*	*				86.9	157.4	85.8	-50.4	0	0	0	0	113.8
1229	Q	31.8	Very low	30.2	Very low	182 Å²	182	135.2 Å²	135.2	85%	0.85	78%	0.781	S	S	*	*			cis	-130.7	160.6	11.7	-66.3	170.7	-76.8	0	0	109.3
1230	A	29.3	Very low	30.4	Very low	92 Å²	92	137.8 Å²	137.8	76%	0.76	78%	0.781	S	S	*	*				51.7	137.3	66.1	0	0	0	0	0	113.8
1231	E	31.8	Very low	30.7	Very low	176 Å²	176	131.7 Å²	131.7	82%	0.822	77%	0.772	S	S	*	*			cis	-137.3	149.8	17.5	-68.5	177.3	98.1	0	0	111.3
1232	S	29.4	Very low	30.7	Very low	117 Å²	117	130.2 Å²	130.2	82%	0.818	77%	0.773	S	S	*	*				61.7	133.6	88.1	121	0	0	0	0	116.6
1233	G	31	Very low	31	Very low	63 Å²	63	127.4 Å²	127.4	65%	0.649	77%	0.771	S	S	*	*			cis	176.3	-178	-3.7	0	0	0	0	0	114.7
1234	I	29.4	Very low	31	Very low	167 Å²	167	128.6 Å²	128.6	86%	0.856	77%	0.769	S	S	*	*			trans	45.5	123.5	163	60.6	175.4	0	0	0	120.2
1235	S	29.1	Very low	31.4	Very low	112 Å²	112	127.3 Å²	127.3	78%	0.783	76%	0.763	S	S	*	*			cis	90.2	123.9	25	-55.1	0	0	0	0	117.1
1236	S	31.9	Very low	31.9	Very low	122 Å²	122	125.6 Å²	125.6	85%	0.853	77%	0.765	S	S	*	*			trans	-165.9	141	131.7	9.3	0	0	0	0	111.6
1237	S	29.8	Very low	31.9	Very low	133 Å²	133	126 Å²	126	93%	0.93	77%	0.768	S	S	*	*			trans	-139.7	-177.7	-179.2	-60.6	0	0	0	0	110.3
1238	I	27.7	Very low	32	Very low	157 Å²	157	125 Å²	125	81%	0.805	77%	0.771	S	S	*	*			trans	-105.6	145.8	-164.9	-143.2	174.7	0	0	0	114.5
1239	S	28.6	Very low	32	Very low	87 Å²	87	127 Å²	127	61%	0.608	77%	0.772	S	S	*	*			trans	70.5	107.1	151.9	-63.1	0	0	0	0	125
1240	T	30.3	Very low	31.9	Very low	131 Å²	131	124.5 Å²	124.5	80%	0.804	77%	0.77	S	S	*	*				74.9	172.6	127.9	69.1	0	0	0	0	120.5
1241	P	41.3	Very low	32	Very low	110 Å²	110	124.9 Å²	124.9	71%	0.714	77%	0.767	S	S	*	*				-139.6	173.9	-75.9	43	-25.9	0	0	0	117.6
1242	H	28.6	Very low	31.8	Very low	161 Å²	161	122.1 Å²	122.1	75%	0.745	77%	0.766	S	S	*	*			trans	65.9	156.1	172.1	-106.2	-104.5	0	0	0	117	E1244	H1242-E1244 IonicContact CE1-OE2 3.52Å; H1242-E1244 PolarHBondContact CE1-OE2 3.3Å; H1242-E1244 IonicContact ND1-OE2 2.73Å; H1242-E1244 PolarHBondContact ND1-OE2 2.87Å
1243	P	37.9	Very low	32.2	Very low	108 Å²	108	122.2 Å²	122.2	70%	0.701	76%	0.763	S	S	*	*			cis	-122.3	-169.5	-1.4	45	-30.7	0	0	0	112.2
1244	E	27.3	Very low	32.9	Very low	145 Å²	145	124.2 Å²	124.2	68%	0.678	77%	0.765	S	S	*	*			cis	-154.3	152.3	-10.6	-145.6	73.2	107.2	0	0	109.1	H1242	H1242-E1244 IonicContact CE1-OE2 3.52Å; H1242-E1244 PolarHBondContact CE1-OE2 3.3Å; H1242-E1244 IonicContact ND1-OE2 2.73Å; H1242-E1244 PolarHBondContact ND1-OE2 2.87Å
1245	P	34.9	Very low	33.7	Very low	105 Å²	105	122.3 Å²	122.3	68%	0.682	76%	0.763	S	S	*	*			trans	-125.8	134.5	178.8	37.8	-24.5	0	0	0	116.9
1246	T	36.4	Very low	33.9	Very low	139 Å²	139	123 Å²	123	85%	0.853	76%	0.762	S	S	*	*			trans	166.3	162.7	148.5	28.4	0	0	0	0	110.8
1247	P	42.8	Very low	34.8	Very low	111 Å²	111	122.8 Å²	122.8	72%	0.721	76%	0.758	S	S	*	*			cis	-136.9	153.6	-37	36.4	-19.9	0	0	0	115.7
1248	A	31.1	Very low	35.3	Very low	99 Å²	99	122 Å²	122	82%	0.818	75%	0.753	S	S	*	*			trans	62.8	171.2	157.4	0	0	0	0	0	117.1
1249	I	31.2	Very low	36	Very low	150 Å²	150	121 Å²	121	77%	0.769	75%	0.754	S	S	*	*			cis	-147.6	130.9	21.1	-68.9	174.9	0	0	0	109.9
1250	T	31	Very low	36.8	Very low	130 Å²	130	121.9 Å²	121.9	80%	0.798	76%	0.757	S	S	*	*			trans	55.8	142	147.9	-52.2	0	0	0	0	120.1
1251	S	31.5	Very low	37.7	Very low	99 Å²	99	120.7 Å²	120.7	69%	0.692	75%	0.752	S	S	*	*			cis	-163.2	149.7	1	42.8	0	0	0	0	113.7
1252	C	26.6	Very low	37.3	Very low	118 Å²	118	121.3 Å²	121.3	80%	0.797	75%	0.753	S	S	*	*			trans	14.7	163.6	132	-56.4	0	0	0	0	123.6
1253	P	38.8	Very low	37.4	Very low	119 Å²	119	119.1 Å²	119.1	77%	0.773	75%	0.751	S	S	*	*			cis	-135.9	-129.2	-40.9	40.2	-18.2	0	0	0	113.9
1254	P	44.9	Very low	37.1	Very low	105 Å²	105	118.7 Å²	118.7	68%	0.682	75%	0.751	S	S	*	*			trans	-122.1	-165.1	-135.8	42.4	-20.8	0	0	0	116.1
1255	P	46.6	Very low	37.2	Very low	127 Å²	127	119.7 Å²	119.7	83%	0.825	76%	0.761	S	S	*	*				-141.9	168.3	110.2	39.2	-26.8	0	0	0	116.3
1256	V	32.5	Very low	37	Very low	126 Å²	126	118.5 Å²	118.5	76%	0.764	77%	0.768	S	S	*	*			trans	-113.2	173	177.6	-66.1	0	0	0	0	111.1
1257	P	50.6	Low	36.6	Very low	118 Å²	118	118.3 Å²	118.3	77%	0.766	77%	0.767	S	S	*	*				-146.9	130	93.3	34.5	-16.2	0	0	0	116.5
1258	S	39.9	Very low	36	Very low	118 Å²	118	120 Å²	120	83%	0.825	77%	0.769	S	S	*	*			trans	-158	139.9	161.3	-74.4	0	0	0	0	109.4
1259	V	43.2	Very low	35.9	Very low	135 Å²	135	121.9 Å²	121.9	82%	0.818	77%	0.765	S	S	*	*			trans	-167.4	146.6	-144	137.1	0	0	0	0	109.7
1260	P	44.7	Very low	35.9	Very low	105 Å²	105	121.1 Å²	121.1	68%	0.682	76%	0.762	S	S	*	*			cis	-144.4	-151.9	-29.3	45.4	-26.7	0	0	0	111.1
1261	P	49.3	Very low	35.7	Very low	107 Å²	107	122.3 Å²	122.3	70%	0.695	76%	0.759	S	S	*	*			cis	-104.4	-140.3	-38.6	19.8	5	0	0	0	108.3	V1263	P1261-V1263 HydrophobicContact CB-CG2 4.39Å
1262	V	34.4	Very low	35.7	Very low	122 Å²	122	124.4 Å²	124.4	74%	0.739	77%	0.767	S	S	*	*			cis	-140.9	139.1	-4.5	-179.8	0	0	0	0	105.4
1263	V	30.6	Very low	36.1	Very low	116 Å²	116	122.1 Å²	122.1	70%	0.703	76%	0.756	S	S	*	*			cis	88.7	63.8	8.8	-45.4	0	0	0	0	121.1	P1261	P1261-V1263 HydrophobicContact CB-CG2 4.39Å
1264	S	30.8	Very low	36.2	Very low	98 Å²	98	122 Å²	122	69%	0.685	76%	0.756	S	S	*	*				99.4	138.1	113.8	-59.5	0	0	0	0	123.6
1265	N	29.8	Very low	35.6	Very low	166 Å²	166	125 Å²	125	89%	0.888	76%	0.758	S	S	*	*			trans	56.3	127.9	140.4	-58.2	3	0	0	0	121.7
1266	G	30.2	Very low	34.8	Very low	81 Å²	81	127 Å²	127	84%	0.835	76%	0.756	S	S	*	*			trans	175.9	122.2	161.3	0	0	0	0	0	113
1267	T	29.3	Very low	34.7	Very low	134 Å²	134	127.5 Å²	127.5	82%	0.822	76%	0.76	S	S	*	*			trans	-94.8	146.3	179.2	-22.2	0	0	0	0	111.3
1268	L	30.1	Very low	34.1	Very low	147 Å²	147	127 Å²	127	77%	0.77	76%	0.756	S	S	*	*			trans	71.5	124.2	164.7	-52.5	175.7	0	0	0	118.5
1269	N	27.8	Very low	33.7	Very low	139 Å²	139	126 Å²	126	74%	0.743	75%	0.749	S	S	*	*				34.9	144.1	120.2	-62.2	11.9	0	0	0	120.1
1270	L	31	Very low	33.3	Very low	134 Å²	134	121.5 Å²	121.5	70%	0.702	73%	0.726	S	S	*	*			cis	-158.3	144	14.2	-149.4	75.5	0	0	0	112.3
1271	E	26.5	Very low	32.8	Very low	155 Å²	155	119.9 Å²	119.9	72%	0.724	72%	0.715	S	S	*	*			trans	25.2	131.5	135.6	-165.6	-179.3	131	0	0	123.7
1272	V	32.2	Very low	32	Very low	143 Å²	143	119 Å²	119	87%	0.867	70%	0.704	S	S	*	*			trans	-143.2	94.4	136	177.6	0	0	0	0	106.3
1273	A	35.8	Very low	31.9	Very low	70 Å²	70	120.8 Å²	120.8	58%	0.579	71%	0.705	S	S	*	*				78.5	154.8	88.7	0	0	0	0	0	114
1274	P	41	Very low	32	Very low	117 Å²	117	122 Å²	122	76%	0.76	71%	0.707	S	S	*	*			cis	-117.6	179.1	7.5	46	-33.6	0	0	0	112.8
1275	K	31.4	Very low	32.1	Very low	168 Å²	168	122.7 Å²	122.7	73%	0.73	71%	0.707	S	S	*	*			cis	-160.7	120	22.9	-156.9	163.8	-178	-177.8	0	115.1
1276	Q	30.3	Very low	32.1	Very low	169 Å²	169	121.6 Å²	121.6	79%	0.79	70%	0.701	S	S	*	*			trans	72.4	148.8	145.6	-67.5	172.6	-43.1	0	0	122
1277	T	29.8	Very low	32.3	Very low	135 Å²	135	122.9 Å²	122.9	83%	0.828	69%	0.693	S	S	*	*			trans	-121.3	-154.9	-173	52.8	0	0	0	0	109
1278	P	37.7	Very low	32.4	Very low	108 Å²	108	123.9 Å²	123.9	70%	0.701	69%	0.688	S	S	*	*			cis	-144.3	174.4	-7	41.4	-20.2	0	0	0	119.2
1279	S	31.6	Very low	32.7	Very low	97 Å²	97	125 Å²	125	68%	0.678	69%	0.689	S	S	*	*			trans	56.4	113.8	137.9	-63.7	0	0	0	0	128
1280	A	34.6	Very low	33	Very low	40 Å²	40	123 Å²	123	33%	0.331	69%	0.686	S	S	.	*				85.7	118.9	104.9	0	0	0	0	0	126.9	T1306 V1307	A1280-T1306 VanDerWaalsContact O-CA 3.29Å; A1280-T1306 WeakPolarHBondContact O-CA 3.23Å; A1280-T1306 PolarHBondContact O-OG1 3.41Å; A1280-V1307 HydrophobicContact CB-CG2 3.68Å
1281	T	34	Very low	33.2	Very low	72 Å²	72	122.1 Å²	122.1	44%	0.442	69%	0.691	S	S	.	*				90.4	148.1	118.5	-58.6	0	0	0	0	125.6	A1305 T1306 V1307	T1281-A1305 CarbonylContact O-C 3.52Å; T1281-A1305 WeakPolarHBondContact O-CA 3.46Å; T1281-T1306 WeakPolarHBondContact O-CA 3.31Å; T1281-T1306 PolarHBondContact O-N 3.11Å; T1281-V1307 VanDerWaalsContact CG2-CA 3.43Å
1282	N	32.3	Very low	33.5	Very low	89 Å²	89	118.3 Å²	118.3	48%	0.476	68%	0.681	S	S	.	*			trans	106.9	124.8	142.9	-101	-5.4	0	0	0	126.6	T1306 V1307	N1282-T1306 WeakPolarHBondContact CB-O 3.42Å; N1282-T1306 PolarHBondContact ND2-O 2.81Å; N1282-V1307 PolarHBondContact ND2-N 3.02Å; N1282-V1307 PolarHBondContact ND2-O 3.43Å
1283	Q	33	Very low	33.6	Very low	159 Å²	159	117.4 Å²	117.4	74%	0.743	68%	0.677	S	S	*	*			trans	81.4	144.6	134.6	-80.6	177.4	28.9	0	0	127.1
1284	N	32.1	Very low	33.6	Very low	140 Å²	140	118.2 Å²	118.2	75%	0.749	68%	0.683	S	S	*	*			trans	60.6	155.1	167.9	-74.9	10.3	0	0	0	120.8
1285	V	33.8	Very low	33.1	Very low	114 Å²	114	115.5 Å²	115.5	69%	0.691	67%	0.667	S	S	*	*			cis	162.7	140.1	-36	147.1	0	0	0	0	107.7
1286	D	30.6	Very low	33.2	Very low	142 Å²	142	113.6 Å²	113.6	76%	0.759	67%	0.67	S	S	*	*			trans	66.6	105.4	166.2	-69.1	-7.3	0	0	0	122.8
1287	T	34.1	Very low	33.4	Very low	108 Å²	108	109.2 Å²	109.2	66%	0.663	66%	0.662	S	S	*	*				102.6	96	119.5	-59.9	0	0	0	0	120.5
1288	Q	31.1	Very low	33.6	Very low	155 Å²	155	108.7 Å²	108.7	72%	0.724	66%	0.659	S	S	*	*			trans	58.5	109.1	137.6	-59.1	175	8.3	0	0	120.2
1289	H	35.1	Very low	33.5	Very low	170 Å²	170	110.8 Å²	110.8	79%	0.787	66%	0.664	S	S	*	*				-165.5	-178.4	81.2	-106	-68.3	0	0	0	111.8
1290	S	34.1	Very low	33.5	Very low	98 Å²	98	112 Å²	112	69%	0.685	67%	0.666	S	S	*	*			trans	-120.4	162.8	-146.7	-41.2	0	0	0	0	115.7
1291	S	35.4	Very low	33.4	Very low	115 Å²	115	114.3 Å²	114.3	80%	0.804	68%	0.681	S	S	*	*			trans	74.3	144.9	163.7	81.1	0	0	0	0	116.9
1292	S	33.7	Very low	33.3	Very low	75 Å²	75	118.8 Å²	118.8	52%	0.524	70%	0.697	S	S	.	*			cis	-166.1	174.4	-12.1	45.1	0	0	0	0	112.5
1293	T	34.6	Very low	33.5	Very low	125 Å²	125	120.6 Å²	120.6	77%	0.767	71%	0.711	S	S	*	*			trans	82.1	153.2	163.6	74.4	0	0	0	0	119.8
1294	A	34.5	Very low	33.8	Very low	87 Å²	87	118.4 Å²	118.4	72%	0.719	71%	0.71	S	S	*	*			trans	63.7	96.1	165.8	0	0	0	0	0	119.9
1295	S	32.2	Very low	33.9	Very low	60 Å²	60	115.2 Å²	115.2	42%	0.42	70%	0.703	S	S	.	*				51.3	115.4	126	-46.6	0	0	0	0	121.9	T1841	S1295-T1841 VanDerWaalsContact CA-OG1 3.3Å; S1295-T1841 WeakPolarHBondContact CA-OG1 3.43Å; S1295-T1841 WeakPolarHBondContact CB-OG1 3.29Å; S1295-T1841 PolarHBondContact OG-OG1 3.48Å
1296	T	33	Very low	33.9	Very low	127 Å²	127	113.7 Å²	113.7	78%	0.779	69%	0.694	S	S	*	*			trans	-52.7	154.1	155.9	3.6	0	0	0	0	112.6
1297	A	35.1	Very low	34.1	Very low	77 Å²	77	110.1 Å²	110.1	64%	0.636	68%	0.678	S	S	*	*			cis	-158.6	154.5	11.8	0	0	0	0	0	116.6
1298	T	34	Very low	34	Very low	125 Å²	125	111.2 Å²	111.2	77%	0.767	68%	0.675	S	S	*	*			trans	84.2	151.6	144.7	-28.5	0	0	0	0	120.9
1299	L	33.8	Very low	34.1	Very low	152 Å²	152	109.7 Å²	109.7	80%	0.796	68%	0.676	S	S	*	*			trans	89.5	122.3	166.3	-58.1	178.6	0	0	0	115.9
1300	V	32.7	Very low	33.9	Very low	121 Å²	121	107.6 Å²	107.6	73%	0.733	68%	0.675	S	S	*	*			cis	-151.7	160.8	0.1	-156	0	0	0	0	111.3
1301	S	32.3	Very low	34.1	Very low	90 Å²	90	107.9 Å²	107.9	63%	0.629	68%	0.675	S	S	*	*			trans	71.1	145.4	160.4	-65.2	0	0	0	0	119.6
1302	E	31.4	Very low	33.9	Very low	166 Å²	166	109.7 Å²	109.7	78%	0.776	67%	0.674	S	S	*	*			cis	-160.2	115.3	-7.7	-112.9	161.2	178.3	0	0	112.8
1303	T	36.3	Very low	33.7	Very low	126 Å²	126	110.9 Å²	110.9	77%	0.773	68%	0.682	S	S	*	*			trans	33.8	162.2	131.9	52.1	0	0	0	0	125.2
1304	P	39.9	Very low	33.8	Very low	113 Å²	113	111.4 Å²	111.4	73%	0.734	69%	0.685	S	S	*	*			cis	-150	171.3	-30.2	41.4	-22.1	0	0	0	119.7
1305	A	34.1	Very low	33.8	Very low	73 Å²	73	113.1 Å²	113.1	60%	0.603	69%	0.689	S	S	*	*			trans	69.9	160.2	149.4	0	0	0	0	0	121	T1281	T1281-A1305 CarbonylContact O-C 3.52Å; T1281-A1305 WeakPolarHBondContact O-CA 3.46Å
1306	T	33.2	Very low	33.8	Very low	82 Å²	82	114.3 Å²	114.3	50%	0.503	70%	0.702	S	S	.	*			cis	-162.3	172.7	3.2	-146.3	0	0	0	0	111.4	A1280 T1281 N1282	A1280-T1306 VanDerWaalsContact O-CA 3.29Å; A1280-T1306 WeakPolarHBondContact O-CA 3.23Å; A1280-T1306 PolarHBondContact O-OG1 3.41Å; T1281-T1306 WeakPolarHBondContact O-CA 3.31Å; T1281-T1306 PolarHBondContact O-N 3.11Å; N1282-T1306 WeakPolarHBondContact CB-O 3.42Å; N1282-T1306 PolarHBondContact ND2-O 2.81Å
1307	V	35.5	Very low	34.2	Very low	67 Å²	67	113.7 Å²	113.7	41%	0.406	70%	0.701	S	S	.	*			cis	-168.1	163.3	-7.7	108.9	0	0	0	0	105.9	A1280 T1281 N1282	A1280-V1307 HydrophobicContact CB-CG2 3.68Å; T1281-V1307 VanDerWaalsContact CG2-CA 3.43Å; N1282-V1307 PolarHBondContact ND2-N 3.02Å; N1282-V1307 PolarHBondContact ND2-O 3.43Å
1308	H	32.5	Very low	33.9	Very low	132 Å²	132	115.8 Å²	115.8	61%	0.611	71%	0.705	S	S	*	*			cis	-156.4	154.4	1.1	-116.1	-6.1	0	0	0	108.9
1309	V	33.8	Very low	33.6	Very low	122 Å²	122	118.6 Å²	118.6	74%	0.739	71%	0.709	S	S	*	*				74.7	147.1	91.7	-177.7	0	0	0	0	118.7
1310	T	30.3	Very low	33.3	Very low	126 Å²	126	119.3 Å²	119.3	77%	0.773	71%	0.709	S	S	*	*			trans	-89.9	-165	-166	56	0	0	0	0	114.2
1311	P	38.3	Very low	33.6	Very low	104 Å²	104	119 Å²	119	68%	0.675	71%	0.709	S	S	*	*			cis	-148.3	-176.1	4.4	46.5	-25.9	0	0	0	120.2
1312	I	30.6	Very low	33.3	Very low	154 Å²	154	121.7 Å²	121.7	79%	0.79	72%	0.716	S	S	*	*			trans	74.1	126.3	146.9	-75.6	158.3	0	0	0	123.6
1313	S	30.5	Very low	33.2	Very low	100 Å²	100	119.3 Å²	119.3	70%	0.699	71%	0.712	S	S	*	*			trans	44.9	121.9	149.2	-62.4	0	0	0	0	126.8
1314	V	35	Very low	32.9	Very low	136 Å²	136	120.4 Å²	120.4	82%	0.824	71%	0.712	S	S	*	*				46.4	120.8	120	-176	0	0	0	0	118.3
1315	P	35.8	Very low	32.4	Very low	122 Å²	122	121 Å²	121	79%	0.792	71%	0.709	S	S	*	*				-150	178.3	67.3	42.6	-23.5	0	0	0	118.7
1316	A	32.1	Very low	32.4	Very low	86 Å²	86	124.1 Å²	124.1	71%	0.711	71%	0.711	S	S	*	*			trans	-81.8	-174.1	164.1	0	0	0	0	0	110.6
1317	P	40.2	Very low	32.3	Very low	114 Å²	114	127.3 Å²	127.3	74%	0.74	72%	0.72	S	S	*	*			cis	-153.1	-174.4	19.6	42.5	-18.8	0	0	0	120
1318	V	29.4	Very low	32	Very low	121 Å²	121	128.2 Å²	128.2	73%	0.733	73%	0.729	S	S	*	*			trans	90.8	125.6	136.1	142.7	0	0	0	0	123.6
1319	Q	27.9	Very low	31.9	Very low	183 Å²	183	126.4 Å²	126.4	86%	0.855	72%	0.724	S	S	*	*			trans	86.4	142.9	147.9	-83.7	168.6	-19.4	0	0	125.1
1320	E	26.8	Very low	31.7	Very low	168 Å²	168	125.1 Å²	125.1	79%	0.785	72%	0.716	S	S	*	*			trans	-98.1	-179.4	-178	-47.6	164.3	109.1	0	0	111.2
1321	P	39	Very low	31.4	Very low	114 Å²	114	127.2 Å²	127.2	74%	0.74	72%	0.721	S	S	*	*				-147.1	151	83.2	37.3	-19.5	0	0	0	117.4
1322	L	26.4	Very low	30.9	Very low	146 Å²	146	127.7 Å²	127.7	76%	0.764	72%	0.722	S	S	*	*			trans	20.2	145.9	133.8	-55.9	159.9	0	0	0	119.2
1323	V	29.7	Very low	30.9	Very low	116 Å²	116	128.4 Å²	128.4	70%	0.703	72%	0.723	S	S	*	*				-176.4	125	72.3	157.6	0	0	0	0	110.9
1324	I	30.3	Very low	31	Very low	150 Å²	150	129 Å²	129	77%	0.769	72%	0.717	S	S	*	*			trans	64.8	141.5	149.1	-67.6	175.3	0	0	0	117.7
1325	D	29.5	Very low	30.6	Very low	124 Å²	124	131 Å²	131	66%	0.663	72%	0.723	S	S	*	*			cis	-148.7	161.1	27.4	-143.2	-8.1	0	0	0	118.6
1326	H	33	Very low	30.3	Very low	140 Å²	140	128 Å²	128	65%	0.648	71%	0.706	S	S	*	*			trans	46.5	127.3	149.2	-82.5	-45	0	0	0	127.7
1327	H	32.1	Very low	30.3	Very low	149 Å²	149	129.1 Å²	129.1	69%	0.69	70%	0.696	S	S	*	*			trans	85.6	76.8	133.7	-78.1	-55.3	0	0	0	124.3
1328	S	29.8	Very low	29.9	Very low	86 Å²	86	132.5 Å²	132.5	60%	0.601	71%	0.707	S	S	*	*				42	124.2	106.9	73.5	0	0	0	0	123.1
1329	D	29.8	Very low	30.2	Very low	93 Å²	93	134.9 Å²	134.9	50%	0.497	70%	0.703	S	S	.	*				109.7	145.4	114	-102.5	-36.3	0	0	0	124	T1124	T1124-D1329 VanDerWaalsContact CG2-OD1 3.23Å; T1124-D1329 WeakPolarHBondContact CG2-OD1 3.32Å; T1124-D1329 PolarHBondContact OG1-OD1 2.74Å; T1124-D1329 PolarHBondContact OG1-OD2 2.93Å
1330	V	28.6	Very low	30.5	Very low	95 Å²	95	134.8 Å²	134.8	58%	0.576	70%	0.7	S	S	*	*			trans	65.6	107.2	157.4	-179.8	0	0	0	0	121.2	T1332	V1330-T1332 HydrophobicContact CG1-CG2 4.49Å; V1330-T1332 VanDerWaalsContact CG1-OG1 3.27Å; V1330-T1332 WeakPolarHBondContact CG1-OG1 3.45Å; V1330-T1332 PolarHBondContact O-N 3.02Å
1331	L	25.2	Very low	30.6	Very low	170 Å²	170	134.3 Å²	134.3	89%	0.89	71%	0.708	S	S	*	*			trans	-61.7	82.3	151.3	-171.1	170.3	0	0	0	111.1
1332	T	26.6	Very low	30.2	Very low	114 Å²	114	134.4 Å²	134.4	70%	0.699	71%	0.711	S	S	*	*			trans	-161.1	88.2	154.1	51.1	0	0	0	0	111.8	V1330	V1330-T1332 HydrophobicContact CG1-CG2 4.49Å; V1330-T1332 VanDerWaalsContact CG1-OG1 3.27Å; V1330-T1332 WeakPolarHBondContact CG1-OG1 3.45Å; V1330-T1332 PolarHBondContact O-N 3.02Å
1333	Q	31.8	Very low	30.6	Very low	170 Å²	170	130.6 Å²	130.6	79%	0.794	71%	0.707	S	S	*	*			trans	-150.2	102.4	153.3	-168.2	126.8	15.3	0	0	111.3
1334	L	32.3	Very low	30.7	Very low	112 Å²	112	131.9 Å²	131.9	59%	0.586	72%	0.715	S	S	*	*			trans	48.7	118.5	145.2	-78.6	39.8	0	0	0	116.5	S1336	L1334-S1336 WeakPolarHBondContact CB-OG 3.39Å; L1334-S1336 WeakPolarHBondContact CD2-OG 3.42Å; L1334-S1336 VanDerWaalsContact CG-OG 3.29Å; L1334-S1336 WeakPolarHBondContact CG-OG 3.33Å
1335	D	26.8	Very low	30.9	Very low	177 Å²	177	128.5 Å²	128.5	95%	0.947	70%	0.704	S	S	*	*	S	Bend	cis	26.3	49.7	34	-156.4	30.8	0	0	0	116
1336	S	28.5	Very low	31.2	Very low	61 Å²	61	130.6 Å²	130.6	43%	0.427	71%	0.71	S	S	.	*			trans	-164.3	161.6	151.2	78.9	0	0	0	0	106.9	L1334 L1338	L1334-S1336 WeakPolarHBondContact CB-OG 3.39Å; L1334-S1336 WeakPolarHBondContact CD2-OG 3.42Å; L1334-S1336 VanDerWaalsContact CG-OG 3.29Å; L1334-S1336 WeakPolarHBondContact CG-OG 3.33Å; S1336-L1338 PolarHBondContact O-N 3.46Å
1337	E	33.8	Very low	31.3	Very low	108 Å²	108	128.7 Å²	128.7	51%	0.505	71%	0.712	S	S	.	*			trans	59	45.4	174.7	-48.7	-52.7	79	0	0	116.1	R1339	E1337-R1339 VanDerWaalsContact CA-N 3.3Å; E1337-R1339 HydrophobicContact CB-CB 4.4Å; E1337-R1339 PolarHBondContact O-N 3.01Å; E1337-R1339 WeakPolarHBondContact OE1-CD 3.38Å; E1337-R1339 VanDerWaalsContact OE1-CG 3.3Å; E1337-R1339 WeakPolarHBondContact OE1-CG 3.35Å; E1337-R1339 IonicContact OE1-CZ 3.16Å; E1337-R1339 IonicContact OE1-NE 3.33Å; E1337-R1339 PolarHBondContact OE1-NE 3.04Å; E1337-R1339 IonicContact OE1-NH1 2.9Å; E1337-R1339 PolarHBondContact OE1-NH1 2.92Å; E1337-R1339 VanDerWaalsContact OE2-CD 3.27Å; E1337-R1339 WeakPolarHBondContact OE2-CD 3.42Å; E1337-R1339 IonicContact OE2-CZ 3.62Å; E1337-R1339 IonicContact OE2-NE 3.8Å; E1337-R1339 IonicContact OE2-NH1 2.76Å; E1337-R1339 PolarHBondContact OE2-NH1 2.78Å
1338	L	31.3	Very low	31.4	Very low	185 Å²	185	126.7 Å²	126.7	97%	0.969	72%	0.721	S	S	*	*			trans	-70.5	46.5	130.3	-142.8	172.6	0	0	0	109.9	S1336	S1336-L1338 PolarHBondContact O-N 3.46Å
1339	R	35.1	Very low	31.5	Very low	172 Å²	172	128 Å²	128	65%	0.649	73%	0.73	S	S	*	*			trans	-104.6	105.4	167.1	-75.2	-158.6	-163	123.1	-2.5	106.7	E1337	E1337-R1339 VanDerWaalsContact CA-N 3.3Å; E1337-R1339 HydrophobicContact CB-CB 4.4Å; E1337-R1339 PolarHBondContact O-N 3.01Å; E1337-R1339 WeakPolarHBondContact OE1-CD 3.38Å; E1337-R1339 VanDerWaalsContact OE1-CG 3.3Å; E1337-R1339 WeakPolarHBondContact OE1-CG 3.35Å; E1337-R1339 IonicContact OE1-CZ 3.16Å; E1337-R1339 IonicContact OE1-NE 3.33Å; E1337-R1339 PolarHBondContact OE1-NE 3.04Å; E1337-R1339 IonicContact OE1-NH1 2.9Å; E1337-R1339 PolarHBondContact OE1-NH1 2.92Å; E1337-R1339 VanDerWaalsContact OE2-CD 3.27Å; E1337-R1339 WeakPolarHBondContact OE2-CD 3.42Å; E1337-R1339 IonicContact OE2-CZ 3.62Å; E1337-R1339 IonicContact OE2-NE 3.8Å; E1337-R1339 IonicContact OE2-NH1 2.76Å; E1337-R1339 PolarHBondContact OE2-NH1 2.78Å
1340	K	33.7	Very low	32	Very low	181 Å²	181	128.9 Å²	128.9	79%	0.787	74%	0.742	S	S	*	*			trans	57.5	95.1	151.8	-57	-178.8	179.6	-178.4	0	115.4	S1342	K1340-S1342 PolarHBondContact O-N 2.83Å
1341	V	29.3	Very low	32.1	Very low	158 Å²	158	129.2 Å²	129.2	96%	0.958	75%	0.748	S	S	*	*			trans	-46	106.4	134.1	-86.3	0	0	0	0	110
1342	S	31.5	Very low	32.5	Very low	115 Å²	115	127.1 Å²	127.1	80%	0.804	74%	0.742	S	S	*	*			trans	-160.1	131.3	166.6	-179.5	0	0	0	0	106.9	K1340	K1340-S1342 PolarHBondContact O-N 2.83Å
1343	G	34.4	Very low	32.7	Very low	66 Å²	66	127.5 Å²	127.5	68%	0.68	74%	0.744	S	S	*	*			cis	-170.1	-159.4	-0.2	0	0	0	0	0	110	S1345	G1343-S1345 PolarHBondContact O-N 3.31Å
1344	V	31	Very low	32.6	Very low	144 Å²	144	125 Å²	125	87%	0.873	74%	0.741	S	S	*	*			trans	-79.5	116.3	179.8	178.9	0	0	0	0	110.9
1345	S	35	Very low	32.5	Very low	78 Å²	78	127.9 Å²	127.9	55%	0.545	75%	0.751	S	S	.	*				16	151.2	129.1	-57.3	0	0	0	0	120.3	G1343	G1343-S1345 PolarHBondContact O-N 3.31Å
1346	H	36	Very low	32.7	Very low	168 Å²	168	124.2 Å²	124.2	78%	0.778	74%	0.739	S	S	*	*			cis	-170.5	168.6	-11	-93.6	-40.4	0	0	0	107.1
1347	S	35	Very low	32.8	Very low	100 Å²	100	128.7 Å²	128.7	70%	0.699	76%	0.757	S	S	*	*				-179.5	125.9	-57.1	48.1	0	0	0	0	107.5
1348	A	34.2	Very low	32.6	Very low	107 Å²	107	129.3 Å²	129.3	88%	0.884	77%	0.769	S	S	*	*			trans	-125.3	130.7	-175.9	0	0	0	0	0	112.9
1349	S	32.7	Very low	32.6	Very low	113 Å²	113	125.2 Å²	125.2	79%	0.79	76%	0.756	S	S	*	*			trans	-74.2	176.5	-178.7	-44.6	0	0	0	0	113.7
1350	P	38.9	Very low	32.4	Very low	113 Å²	113	125.1 Å²	125.1	73%	0.734	77%	0.765	S	S	*	*			cis	-137.2	-177	-42.4	34.7	-16.6	0	0	0	113.9
1351	S	31.7	Very low	32.5	Very low	102 Å²	102	122.4 Å²	122.4	71%	0.713	76%	0.764	S	S	*	*			trans	89	139	149.5	-60.8	0	0	0	0	121.7
1352	T	32.5	Very low	33	Very low	125 Å²	125	120.1 Å²	120.1	77%	0.767	75%	0.752	S	S	*	*			trans	71.3	105.9	150.7	41.7	0	0	0	0	122.2
1353	V	30.4	Very low	33	Very low	123 Å²	123	123.1 Å²	123.1	75%	0.745	75%	0.753	S	S	*	*				74.3	100.9	120.7	175.9	0	0	0	0	119.5
1354	V	31.1	Very low	32.9	Very low	118 Å²	118	125.4 Å²	125.4	72%	0.715	75%	0.754	S	S	*	*			trans	77.6	141.8	132.7	177.8	0	0	0	0	120.5
1355	E	29.6	Very low	33.1	Very low	171 Å²	171	126 Å²	126	80%	0.799	75%	0.751	S	S	*	*			trans	64.9	104.8	161.9	-80.6	168.4	152.1	0	0	123
1356	S	31.2	Very low	33.6	Very low	100 Å²	100	126.9 Å²	126.9	70%	0.699	76%	0.755	S	S	*	*				72.6	119.1	111.7	-60.7	0	0	0	0	123.5
1357	L	29.5	Very low	33.6	Very low	155 Å²	155	126.9 Å²	126.9	81%	0.812	76%	0.759	S	S	*	*			trans	90.7	129.6	137.7	-67.8	165	0	0	0	122.7
1358	T	31.7	Very low	33.7	Very low	121 Å²	121	125.6 Å²	125.6	74%	0.742	76%	0.755	S	S	*	*			trans	77.3	93	143.2	47.1	0	0	0	0	123.9
1359	S	30.3	Very low	33.6	Very low	100 Å²	100	126 Å²	126	70%	0.699	75%	0.75	S	S	*	*				93.1	153.5	112.6	79	0	0	0	0	123.6
1360	M	30.4	Very low	33.7	Very low	169 Å²	169	128.8 Å²	128.8	83%	0.833	75%	0.751	S	S	*	*			trans	86.8	166.1	163.8	-61.6	-62	114.3	0	0	120.3
1361	T	35.5	Very low	33.8	Very low	125 Å²	125	129.4 Å²	129.4	77%	0.767	75%	0.752	S	S	*	*			trans	-147	-169	-148.2	55.6	0	0	0	0	112.1
1362	P	41.4	Very low	34.2	Very low	109 Å²	109	130.7 Å²	130.7	71%	0.708	76%	0.756	S	S	*	*				-132.1	-167.6	-57.3	36.3	-17.5	0	0	0	115
1363	Q	31	Very low	34.7	Very low	178 Å²	178	130.4 Å²	130.4	83%	0.832	76%	0.756	S	S	*	*			trans	108.2	137.1	139.2	-123.9	-174.6	59.4	0	0	123.5
1364	T	31.5	Very low	35	Very low	115 Å²	115	129.2 Å²	129.2	71%	0.706	76%	0.759	S	S	*	*			trans	92.2	149	149.5	-50.6	0	0	0	0	120.9
1365	I	34.6	Very low	35.3	Very low	155 Å²	155	129.5 Å²	129.5	80%	0.795	77%	0.767	S	S	*	*			trans	-150.7	-166.8	-160.7	54.3	170.9	0	0	0	109.5
1366	P	46.1	Very low	35.5	Very low	97 Å²	97	129.6 Å²	129.6	63%	0.63	77%	0.771	S	S	*	*			cis	-145.5	-161.6	4.3	44.5	-22.6	0	0	0	117.9
1367	L	35.7	Very low	35.5	Very low	168 Å²	168	128 Å²	128	88%	0.88	77%	0.77	S	S	*	*			trans	73.6	161.2	156.5	-100.9	67	0	0	0	118.7
1368	A	36.9	Very low	35.8	Very low	74 Å²	74	130.5 Å²	130.5	61%	0.612	78%	0.778	S	S	*	*			cis	-163.3	173.9	-8.6	0	0	0	0	0	113.5
1369	C	32.5	Very low	35.8	Very low	115 Å²	115	129.1 Å²	129.1	78%	0.777	78%	0.778	S	S	*	*			trans	72.6	162.7	152.3	-70.6	0	0	0	0	121
1370	Q	35.5	Very low	36.4	Very low	171 Å²	171	130.4 Å²	130.4	80%	0.799	79%	0.785	S	S	*	*			cis	-172.2	160.1	-27.4	-178.6	170.6	101.4	0	0	111.9
1371	T	40.7	Very low	36.6	Very low	126 Å²	126	125.8 Å²	125.8	77%	0.773	77%	0.773	S	S	*	*			trans	86	147.7	176	-32.1	0	0	0	0	116
1372	V	39.3	Very low	36.4	Very low	129 Å²	129	126.5 Å²	126.5	78%	0.782	78%	0.777	S	S	*	*			trans	-143.3	-178.7	-149.8	-65.2	0	0	0	0	110.7
1373	P	44.6	Very low	36	Very low	120 Å²	120	128.8 Å²	128.8	78%	0.779	78%	0.782	S	S	*	*			cis	-147.7	-159.8	14.7	43.3	-19.8	0	0	0	117.7
1374	A	35.9	Very low	36.1	Very low	97 Å²	97	124.5 Å²	124.5	80%	0.802	78%	0.776	S	S	*	*			trans	88.5	73.4	146.3	0	0	0	0	0	122.7
1375	S	38.3	Very low	36.1	Very low	125 Å²	125	123.8 Å²	123.8	87%	0.874	78%	0.783	S	S	*	*				-162.8	164.2	122.6	-163.9	0	0	0	0	109.4
1376	I	33.2	Very low	35.9	Very low	173 Å²	173	120.3 Å²	120.3	89%	0.887	78%	0.777	S	S	*	*			trans	-122.6	132.9	-163.5	-64.7	175.9	0	0	0	113.3
1377	G	31.8	Very low	35.2	Very low	67 Å²	67	124.7 Å²	124.7	69%	0.691	79%	0.788	S	S	*	*			trans	-173.7	125.1	166.4	0	0	0	0	0	113.8
1378	Q	35.6	Very low	34.8	Very low	207 Å²	207	121.2 Å²	121.2	97%	0.967	78%	0.784	S	S	*	*			trans	63.1	169	170.9	-64	179.6	-15.2	0	0	117.1
1379	A	31.6	Very low	34.5	Very low	91 Å²	91	122.3 Å²	122.3	75%	0.752	79%	0.793	S	S	*	*			trans	-150.3	-175.7	-152.3	0	0	0	0	0	111.2
1380	P	43	Very low	34.3	Very low	128 Å²	128	122.1 Å²	122.1	83%	0.831	79%	0.793	S	S	*	*			cis	-120	-137.1	-4.5	25.7	1.3	0	0	0	110.2
1381	A	33.2	Very low	34	Very low	72 Å²	72	120.8 Å²	120.8	60%	0.595	79%	0.791	S	S	*	*			cis	-164.5	158.6	2.5	0	0	0	0	0	112.3
1382	V	33.2	Very low	33.4	Very low	140 Å²	140	121.9 Å²	121.9	85%	0.848	79%	0.79	S	S	*	*			trans	57.2	144.2	163.8	-107.6	0	0	0	0	117.3
1383	I	32.9	Very low	33.4	Very low	157 Å²	157	120.6 Å²	120.6	81%	0.805	78%	0.784	S	S	*	*			cis	-139.1	133	39.7	-71.3	176.4	0	0	0	113.9
1384	A	32.5	Very low	32.7	Very low	87 Å²	87	122.3 Å²	122.3	72%	0.719	79%	0.787	S	S	*	*			trans	40.5	137.5	148.1	0	0	0	0	0	125.3
1385	A	30.9	Very low	32.4	Very low	101 Å²	101	121.9 Å²	121.9	84%	0.835	78%	0.783	S	S	*	*			trans	76.8	136.3	142.2	0	0	0	0	0	120.8
1386	A	30.9	Very low	32	Very low	82 Å²	82	121.5 Å²	121.5	68%	0.678	78%	0.781	S	S	*	*			cis	-161.4	155.1	-19.1	0	0	0	0	0	112.7
1387	H	30.7	Very low	32	Very low	188 Å²	188	119.8 Å²	119.8	87%	0.87	78%	0.778	S	S	*	*			trans	62.6	116.1	159.6	-73.6	-69	0	0	0	123
1388	A	28.6	Very low	32.2	Very low	95 Å²	95	122.2 Å²	122.2	79%	0.785	78%	0.782	S	S	*	*				78	100.3	128	0	0	0	0	0	121.5
1389	A	29.4	Very low	31.9	Very low	98 Å²	98	120.5 Å²	120.5	81%	0.81	77%	0.774	S	S	*	*				-174.2	133.3	113.7	0	0	0	0	0	114.4
1390	S	28.3	Very low	31.6	Very low	110 Å²	110	121.2 Å²	121.2	77%	0.769	77%	0.773	S	S	*	*			trans	66.2	160.9	149.1	-143.2	0	0	0	0	122.5
1391	L	30	Very low	31.4	Very low	143 Å²	143	120.1 Å²	120.1	75%	0.749	77%	0.766	S	S	*	*			trans	71.4	92	160.6	-67.3	151.6	0	0	0	121.2
1392	I	28.6	Very low	31.1	Very low	150 Å²	150	121.7 Å²	121.7	77%	0.769	77%	0.773	S	S	*	*				29	137.9	108.8	-45.7	168.6	0	0	0	117.8
1393	P	38.4	Very low	30.9	Very low	101 Å²	101	124.7 Å²	124.7	66%	0.656	77%	0.769	S	S	*	*			cis	-135.8	-179.8	-28	41.6	-24.7	0	0	0	114.1
1394	N	29.1	Very low	30.5	Very low	157 Å²	157	121.7 Å²	121.7	84%	0.84	75%	0.754	S	S	*	*			trans	171	151.8	132	-96.7	-21.3	0	0	0	115.7
1395	A	29.7	Very low	30.2	Very low	87 Å²	87	122.8 Å²	122.8	72%	0.719	75%	0.748	S	S	*	*			trans	41.9	140	140.3	0	0	0	0	0	121.9
1396	S	30.5	Very low	30	Very low	118 Å²	118	122.2 Å²	122.2	83%	0.825	74%	0.743	S	S	*	*			cis	-161.5	165.2	-0.1	-96.6	0	0	0	0	112.2
1397	V	33.4	Very low	29.8	Very low	136 Å²	136	127.4 Å²	127.4	82%	0.824	75%	0.753	S	S	*	*			trans	-100.3	177.3	164.7	-122.7	0	0	0	0	108.7
1398	P	36.1	Very low	29.9	Very low	119 Å²	119	125.6 Å²	125.6	77%	0.773	76%	0.756	S	S	*	*			cis	-141.8	-166.5	28	42.8	-20.5	0	0	0	117.2
1399	Q	28.7	Very low	30.2	Very low	171 Å²	171	124.1 Å²	124.1	80%	0.799	75%	0.75	S	S	*	*			trans	-72.3	179.3	171.4	-46.3	146.4	-33.8	0	0	110.7
1400	S	26.5	Very low	30.4	Very low	105 Å²	105	128.1 Å²	128.1	73%	0.734	76%	0.757	S	S	*	*			cis	-167.3	-160.2	15.1	62.1	0	0	0	0	108.1
1401	P	38.3	Very low	30.5	Very low	105 Å²	105	127.4 Å²	127.4	68%	0.682	76%	0.757	S	S	*	*			cis	-125.9	177.1	-46.8	32.4	-13.4	0	0	0	114.2
1402	S	25.8	Very low	30.8	Very low	106 Å²	106	122 Å²	122	74%	0.741	74%	0.736	S	S	*	*			trans	45.9	109.3	146.3	63.1	0	0	0	0	122.4
1403	R	29.1	Very low	31.4	Very low	203 Å²	203	120.9 Å²	120.9	77%	0.766	73%	0.731	S	S	*	*				-165.3	138.2	119.3	-125.7	-177	162.4	166.2	-8.8	114.1	N653	N653-R1403 PolarHBondContact OD1-NH2 3.18Å
1404	L	25.6	Very low	31.6	Very low	93 Å²	93	122.5 Å²	122.5	49%	0.487	73%	0.729	S	S	.	*			trans	25.2	137.7	138.9	-69.5	178.2	0	0	0	123.4
1405	D	25.4	Very low	32.4	Very low	110 Å²	110	121.8 Å²	121.8	59%	0.588	72%	0.721	S	S	*	*			trans	80.1	132.1	134.9	-56.5	-22.8	0	0	0	125.5
1406	A	27.9	Very low	33.3	Very low	90 Å²	90	125.1 Å²	125.1	74%	0.744	72%	0.719	S	S	*	*			trans	72.2	125.5	135.9	0	0	0	0	0	123.3
1407	E	26	Very low	34.2	Very low	191 Å²	191	125.2 Å²	125.2	89%	0.893	71%	0.71	S	S	*	*			trans	47.7	71.4	136.8	-56.2	-150.4	138.4	0	0	120.8
1408	T	32.9	Very low	34.8	Very low	150 Å²	150	123.3 Å²	123.3	92%	0.92	69%	0.692	S	S	*	*				-142.9	144.9	129.2	43.7	0	0	0	0	108.9
1409	G	34.6	Very low	35.7	Very low	64 Å²	64	120.4 Å²	120.4	66%	0.66	68%	0.678	S	S	*	*			cis	-173.9	161.2	-9.3	0	0	0	0	0	108.8	A1411	G1409-A1411 PolarHBondContact O-N 3.1Å
1410	L	32.9	Very low	36.4	Very low	182 Å²	182	118.1 Å²	118.1	95%	0.953	67%	0.67	S	S	*	*	S	Bend	trans	-78.1	60.8	-178.2	-79.3	164.6	0	0	0	112.8
1411	A	32	Very low	37.6	Very low	95 Å²	95	119.5 Å²	119.5	79%	0.785	66%	0.663	S	S	*	*			trans	-136.6	123.2	172.9	0	0	0	0	0	109.1	G1409	G1409-A1411 PolarHBondContact O-N 3.1Å
1412	G	34.8	Very low	38	Very low	28 Å²	28	120.7 Å²	120.7	29%	0.289	66%	0.661	S	S	.	*	S	Bend	trans	121.3	-10.1	-176.7	0	0	0	0	0	115.4	K1416	G1412-K1416 WeakPolarHBondContact O-CB 3.36Å; G1412-K1416 PolarHBondContact O-N 2.85Å; G1412-K1416 VanDerWaalsContact O-N 3.16Å
1413	L	41.8	Very low	39.1	Very low	127 Å²	127	118.8 Å²	118.8	67%	0.665	64%	0.641	S	S	*	*	H	α-helix	trans	-78	-39.9	170.3	-140.5	166.9	0	0	0	111	K1416 L1417	L1413-K1416 PolarHBondContact O-N 2.82Å; L1413-L1417 WeakPolarHBondContact O-CB 3.29Å; L1413-L1417 PolarHBondContact O-N 2.77Å
1414	H	42.7	Very low	39.9	Very low	135 Å²	135	114.6 Å²	114.6	63%	0.625	63%	0.63	S	S	*	*	H	α-helix	trans	-58	-53.6	169.2	-162.1	-77.8	0	0	0	110.7	K1416 L1417 E1418	H1414-K1416 VanDerWaalsContact C-N 3.29Å; H1414-K1416 PolarHBondContact O-N 3.4Å; H1414-L1417 PolarHBondContact O-N 3.02Å; H1414-E1418 IonicContact CE1-OE1 3.45Å; H1414-E1418 IonicContact CE1-OE2 3.05Å; H1414-E1418 PolarHBondContact CE1-OE2 3.15Å; H1414-E1418 IonicContact ND1-OE1 2.98Å; H1414-E1418 IonicContact ND1-OE2 3.57Å; H1414-E1418 PolarHBondContact ND1-OE2 2.96Å; H1414-E1418 WeakPolarHBondContact O-CB 3.49Å; H1414-E1418 PolarHBondContact O-N 3.06Å
1415	E	45.7	Very low	40.5	Very low	143 Å²	143	114.3 Å²	114.3	67%	0.668	63%	0.629	S	S	*	*	H	α-helix	trans	-58.5	-35.8	-179.1	-167.9	176.8	-174.1	0	0	113	A1419	E1415-A1419 WeakPolarHBondContact O-CB 3.32Å; E1415-A1419 PolarHBondContact O-N 3.34Å
1416	K	47.8	Very low	41.1	Very low	156 Å²	156	116.8 Å²	116.8	68%	0.678	63%	0.63	S	S	*	*	H	α-helix	trans	-75.5	-33.8	172.8	-82.5	-176.3	174.2	176.5	0	114.2	G1412 L1413 H1414 E1418 L1420	G1412-K1416 WeakPolarHBondContact O-CB 3.36Å; G1412-K1416 PolarHBondContact O-N 2.85Å; G1412-K1416 VanDerWaalsContact O-N 3.16Å; L1413-K1416 PolarHBondContact O-N 2.82Å; H1414-K1416 VanDerWaalsContact C-N 3.29Å; H1414-K1416 PolarHBondContact O-N 3.4Å; K1416-E1418 VanDerWaalsContact C-N 3.34Å; K1416-L1420 VanDerWaalsContact O-CB 3.31Å; K1416-L1420 WeakPolarHBondContact O-CB 3.22Å; K1416-L1420 WeakPolarHBondContact O-CG 3.47Å; K1416-L1420 PolarHBondContact O-N 3.02Å
1417	L	51.3	Low	41.7	Very low	120 Å²	120	121 Å²	121	63%	0.628	63%	0.626	S	S	*	*	H	α-helix	trans	-69.8	-37.6	174.8	-163.9	73.6	0	0	0	110.8	L1413 H1414 L1420 K1421	L1413-L1417 WeakPolarHBondContact O-CB 3.29Å; L1413-L1417 PolarHBondContact O-N 2.77Å; H1414-L1417 PolarHBondContact O-N 3.02Å; L1417-L1420 PolarHBondContact O-N 3.23Å; L1417-K1421 WeakPolarHBondContact O-CB 3.2Å; L1417-K1421 PolarHBondContact O-N 3.38Å
1418	E	45.3	Very low	42	Very low	97 Å²	97	118.7 Å²	118.7	45%	0.453	62%	0.616	S	S	.	*	H	α-helix	trans	-73.9	-38.9	178.4	-164.1	158.9	-139.8	0	0	111.4	H1414 K1416 K1421 M1422	H1414-E1418 IonicContact CE1-OE1 3.45Å; H1414-E1418 IonicContact CE1-OE2 3.05Å; H1414-E1418 PolarHBondContact CE1-OE2 3.15Å; H1414-E1418 IonicContact ND1-OE1 2.98Å; H1414-E1418 IonicContact ND1-OE2 3.57Å; H1414-E1418 PolarHBondContact ND1-OE2 2.96Å; H1414-E1418 WeakPolarHBondContact O-CB 3.49Å; H1414-E1418 PolarHBondContact O-N 3.06Å; K1416-E1418 VanDerWaalsContact C-N 3.34Å; E1418-K1421 PolarHBondContact O-N 3.24Å; E1418-M1422 WeakPolarHBondContact O-CB 3.37Å; E1418-M1422 WeakPolarHBondContact O-CG 3.45Å; E1418-M1422 PolarHBondContact O-N 3.04Å
1419	A	54.2	Low	41.9	Very low	57 Å²	57	117.8 Å²	117.8	47%	0.471	61%	0.605	S	S	.	*	H	α-helix	trans	-67.7	-36.6	169.9	0	0	0	0	0	113.1	E1415 E1423	E1415-A1419 WeakPolarHBondContact O-CB 3.32Å; E1415-A1419 PolarHBondContact O-N 3.34Å; A1419-E1423 PolarHBondContact O-N 3.43Å
1420	L	44.9	Very low	41.8	Very low	124 Å²	124	123.1 Å²	123.1	65%	0.649	62%	0.615	S	S	*	*	H	α-helix	trans	-70.2	-33.8	172.6	-80.9	169.2	0	0	0	112.1	K1416 L1417 Q1424	K1416-L1420 VanDerWaalsContact O-CB 3.31Å; K1416-L1420 WeakPolarHBondContact O-CB 3.22Å; K1416-L1420 WeakPolarHBondContact O-CG 3.47Å; K1416-L1420 PolarHBondContact O-N 3.02Å; L1417-L1420 PolarHBondContact O-N 3.23Å; L1420-Q1424 PolarHBondContact O-N 2.81Å
1421	K	50.3	Low	41.7	Very low	133 Å²	133	116.8 Å²	116.8	58%	0.578	59%	0.594	S	S	*	*	H	α-helix	trans	-68.5	-43.9	172.2	-171.1	161.4	-175.7	175.2	0	111.4	L1417 E1418 E1423 Q1424 D1425	L1417-K1421 WeakPolarHBondContact O-CB 3.2Å; L1417-K1421 PolarHBondContact O-N 3.38Å; E1418-K1421 PolarHBondContact O-N 3.24Å; K1421-E1423 PolarHBondContact O-N 3.17Å; K1421-Q1424 PolarHBondContact O-N 3.28Å; K1421-Q1424 VanDerWaalsContact O-N 3.09Å; K1421-D1425 WeakPolarHBondContact O-CB 3.35Å; K1421-D1425 VanDerWaalsContact O-CG 3.28Å; K1421-D1425 PolarHBondContact O-N 2.85Å
1422	M	47	Very low	41.8	Very low	131 Å²	131	120 Å²	120	65%	0.645	60%	0.598	S	S	*	*	H	α-helix	trans	-61.2	-38.8	173	-76.1	-170.5	179.1	0	0	113.1	E1418 Q1424 R1426	E1418-M1422 WeakPolarHBondContact O-CB 3.37Å; E1418-M1422 WeakPolarHBondContact O-CG 3.45Å; E1418-M1422 PolarHBondContact O-N 3.04Å; M1422-Q1424 VanDerWaalsContact C-N 3.28Å; M1422-Q1424 PolarHBondContact O-N 3.5Å; M1422-R1426 WeakPolarHBondContact O-CB 3.42Å; M1422-R1426 PolarHBondContact O-N 3.05Å
1423	E	48.6	Very low	41.6	Very low	66 Å²	66	121.6 Å²	121.6	31%	0.308	60%	0.6	S	S	.	*	H	α-helix	trans	-78.8	-8.8	175.8	-178.2	56	-163.4	0	0	113.4	A1419 K1421 R1426 R1427	A1419-E1423 PolarHBondContact O-N 3.43Å; K1421-E1423 PolarHBondContact O-N 3.17Å; E1423-R1426 IonicContact OE1-NH2 3.11Å; E1423-R1426 PolarHBondContact OE1-NH2 2.87Å; E1423-R1426 VanDerWaalsContact OE1-NH2 3.11Å; E1423-R1426 IonicContact OE2-CZ 3.25Å; E1423-R1426 VanDerWaalsContact OE2-CZ 3.25Å; E1423-R1426 IonicContact OE2-NE 2.85Å; E1423-R1426 PolarHBondContact OE2-NE 3.25Å; E1423-R1426 IonicContact OE2-NH2 2.79Å; E1423-R1426 PolarHBondContact OE2-NH2 3.05Å; E1423-R1427 VanDerWaalsContact O-CD 3.27Å; E1423-R1427 WeakPolarHBondContact O-CD 2.92Å; E1423-R1427 VanDerWaalsContact O-CG 3.28Å; E1423-R1427 WeakPolarHBondContact O-CG 3.45Å; E1423-R1427 PolarHBondContact O-NE 3.14Å; E1423-R1427 IonicContact OE1-CZ 3.2Å; E1423-R1427 IonicContact OE1-NE 2.82Å; E1423-R1427 PolarHBondContact OE1-NE 3.02Å; E1423-R1427 IonicContact OE1-NH2 2.72Å; E1423-R1427 PolarHBondContact OE1-NH2 2.87Å
1424	Q	46	Very low	41.2	Very low	115 Å²	115	119.7 Å²	119.7	54%	0.537	60%	0.602	S	S	.	*	H	α-helix	trans	-87	-49.4	164.4	-173.4	173.6	-18.7	0	0	111.3	L1420 K1421 M1422 R1426 R1427 E1428	L1420-Q1424 PolarHBondContact O-N 2.81Å; K1421-Q1424 PolarHBondContact O-N 3.28Å; K1421-Q1424 VanDerWaalsContact O-N 3.09Å; M1422-Q1424 VanDerWaalsContact C-N 3.28Å; M1422-Q1424 PolarHBondContact O-N 3.5Å; Q1424-R1426 PolarHBondContact O-N 2.7Å; Q1424-R1427 WeakPolarHBondContact O-CA 3.28Å; Q1424-R1427 WeakPolarHBondContact O-CB 3.31Å; Q1424-R1427 PolarHBondContact O-N 3.3Å; Q1424-E1428 PolarHBondContact NE2-OE1 2.96Å; Q1424-E1428 PolarHBondContact O-N 3.49Å
1425	D	38.4	Very low	40.8	Very low	87 Å²	87	118.7 Å²	118.7	47%	0.465	60%	0.6	S	S	.	*	H	α-helix	trans	-58.6	-37.8	176.6	-63.5	-17.5	0	0	0	110.3	K1421 R1427 E1428	K1421-D1425 WeakPolarHBondContact O-CB 3.35Å; K1421-D1425 VanDerWaalsContact O-CG 3.28Å; K1421-D1425 PolarHBondContact O-N 2.85Å; D1425-R1427 PolarHBondContact O-N 2.84Å; D1425-R1427 VanDerWaalsContact O-N 3.08Å; D1425-E1428 PolarHBondContact O-N 3.21Å
1426	R	38.1	Very low	40	Very low	162 Å²	162	114.5 Å²	114.5	61%	0.611	60%	0.596	S	S	*	*	H	α-helix	trans	-75.1	13.9	173	-154.7	-162.8	67.2	68.5	6.6	114.5	M1422 E1423 Q1424	M1422-R1426 WeakPolarHBondContact O-CB 3.42Å; M1422-R1426 PolarHBondContact O-N 3.05Å; E1423-R1426 IonicContact OE1-NH2 3.11Å; E1423-R1426 PolarHBondContact OE1-NH2 2.87Å; E1423-R1426 VanDerWaalsContact OE1-NH2 3.11Å; E1423-R1426 IonicContact OE2-CZ 3.25Å; E1423-R1426 VanDerWaalsContact OE2-CZ 3.25Å; E1423-R1426 IonicContact OE2-NE 2.85Å; E1423-R1426 PolarHBondContact OE2-NE 3.25Å; E1423-R1426 IonicContact OE2-NH2 2.79Å; E1423-R1426 PolarHBondContact OE2-NH2 3.05Å; Q1424-R1426 PolarHBondContact O-N 2.7Å
1427	R	39.8	Very low	39.1	Very low	178 Å²	178	110.3 Å²	110.3	67%	0.672	58%	0.584	S	S	*	*	H	α-helix	trans	-125.5	-5.8	170.8	-70.4	179.5	-175.6	-150.7	2.2	113.6	E1423 Q1424 D1425	E1423-R1427 VanDerWaalsContact O-CD 3.27Å; E1423-R1427 WeakPolarHBondContact O-CD 2.92Å; E1423-R1427 VanDerWaalsContact O-CG 3.28Å; E1423-R1427 WeakPolarHBondContact O-CG 3.45Å; E1423-R1427 PolarHBondContact O-NE 3.14Å; E1423-R1427 IonicContact OE1-CZ 3.2Å; E1423-R1427 IonicContact OE1-NE 2.82Å; E1423-R1427 PolarHBondContact OE1-NE 3.02Å; E1423-R1427 IonicContact OE1-NH2 2.72Å; E1423-R1427 PolarHBondContact OE1-NH2 2.87Å; Q1424-R1427 WeakPolarHBondContact O-CA 3.28Å; Q1424-R1427 WeakPolarHBondContact O-CB 3.31Å; Q1424-R1427 PolarHBondContact O-N 3.3Å; D1425-R1427 PolarHBondContact O-N 2.84Å; D1425-R1427 VanDerWaalsContact O-N 3.08Å
1428	E	33.1	Very low	38	Very low	143 Å²	143	109.2 Å²	109.2	67%	0.668	58%	0.582	S	S	*	*	H	α-helix	trans	-103.7	-7.3	175.4	-64.3	179.8	-158	0	0	111.6	Q1424 D1425	Q1424-E1428 PolarHBondContact NE2-OE1 2.96Å; Q1424-E1428 PolarHBondContact O-N 3.49Å; D1425-E1428 PolarHBondContact O-N 3.21Å
1429	D	30.7	Very low	37.2	Very low	131 Å²	131	109.5 Å²	109.5	70%	0.701	59%	0.59	S	S	*	*			trans	-104	56.8	175.4	-168.9	28.8	0	0	0	113.4
1430	M	32.4	Very low	36.2	Very low	175 Å²	175	113 Å²	113	86%	0.862	61%	0.606	S	S	*	*			trans	-141.2	57.9	168.8	-84.4	-75.2	-67.5	0	0	109	D1432	M1430-D1432 PolarHBondContact O-N 3.16Å
1431	G	30.2	Very low	35.6	Very low	49 Å²	49	113.5 Å²	113.5	51%	0.505	61%	0.609	S	S	.	*			trans	-74.5	118.7	164.6	0	0	0	0	0	109.6
1432	D	34.3	Very low	34.7	Very low	163 Å²	163	110.1 Å²	110.1	87%	0.872	61%	0.613	S	S	*	*			trans	-146.3	132.3	159.5	-151.1	-5.1	0	0	0	108.9	M1430	M1430-D1432 PolarHBondContact O-N 3.16Å
1433	D	31.1	Very low	34	Very low	61 Å²	61	111.8 Å²	111.8	33%	0.326	62%	0.616	S	S	.	*			trans	-137.1	100.3	-141.5	-107.8	-49.8	0	0	0	111.3	T1519 S1520	D1433-T1519 HydrophobicContact CB-CG2 3.61Å; D1433-T1519 WeakPolarHBondContact OD1-CB 3.49Å; D1433-T1519 WeakPolarHBondContact OD1-CG2 3.48Å; D1433-S1520 WeakPolarHBondContact OD1-CB 2.88Å; D1433-S1520 WeakPolarHBondContact OD2-CB 3.42Å; D1433-S1520 PolarHBondContact OD2-OG 3.48Å
1434	A	33.4	Very low	32.9	Very low	88 Å²	88	116 Å²	116	73%	0.727	64%	0.641	S	S	*	*			trans	-145.2	104.3	176.4	0	0	0	0	0	112.7
1435	I	33.5	Very low	32.3	Very low	113 Å²	113	119.7 Å²	119.7	58%	0.579	66%	0.658	S	S	*	*				16.5	118.9	123.1	-55	167.6	0	0	0	114.2	S1518	I1435-S1518 PolarHBondContact N-OG 3.05Å
1436	G	30.6	Very low	32.1	Very low	56 Å²	56	122.7 Å²	122.7	58%	0.577	67%	0.673	S	S	*	*			cis	-168.8	-160.3	9.6	0	0	0	0	0	113.7	D1516	G1436-D1516 WeakPolarHBondContact CA-OD1 3.47Å
1437	T	28.9	Very low	31.9	Very low	68 Å²	68	120 Å²	120	42%	0.417	68%	0.676	S	S	.	*			trans	-58.3	146.9	-165.1	45.4	0	0	0	0	117.5	I1515 D1516	T1437-I1515 WeakPolarHBondContact OG1-CG1 3.36Å; T1437-D1516 VanDerWaalsContact CB-OD1 3.29Å; T1437-D1516 WeakPolarHBondContact CB-OD1 3.33Å; T1437-D1516 VanDerWaalsContact CG2-OD1 3.27Å; T1437-D1516 WeakPolarHBondContact CG2-OD1 3.48Å; T1437-D1516 PolarHBondContact N-OD1 3.17Å; T1437-D1516 PolarHBondContact OG1-OD1 3.18Å
1438	T	28.1	Very low	31.5	Very low	96 Å²	96	119.7 Å²	119.7	59%	0.589	69%	0.686	S	S	*	*				178.6	146.4	101.8	29.6	0	0	0	0	114.8	I1515	T1438-I1515 HydrophobicContact CG2-CD1 4.24Å; T1438-I1515 HydrophobicContact CG2-CG1 3.81Å
1439	T	28.4	Very low	31.6	Very low	103 Å²	103	120 Å²	120	63%	0.632	69%	0.692	S	S	*	*			trans	61.7	112.7	156.4	51	0	0	0	0	122.9
1440	T	32.6	Very low	32	Very low	130 Å²	130	119.2 Å²	119.2	80%	0.798	69%	0.692	S	S	*	*			trans	56.7	110.3	139.5	58.8	0	0	0	0	119.2
1441	D	31.6	Very low	32.2	Very low	135 Å²	135	118.2 Å²	118.2	72%	0.722	69%	0.69	S	S	*	*			cis	67.7	127.9	45.7	-171	34.7	0	0	0	115.7	K1443	D1441-K1443 VanDerWaalsContact CG-NZ 3.25Å; D1441-K1443 IonicContact OD1-NZ 3.43Å; D1441-K1443 PolarHBondContact OD1-NZ 2.89Å; D1441-K1443 IonicContact OD2-NZ 3.11Å; D1441-K1443 PolarHBondContact OD2-NZ 3.19Å
1442	G	33	Very low	32.8	Very low	63 Å²	63	124 Å²	124	65%	0.649	70%	0.701	S	S	*	*			trans	110.5	118	157.8	0	0	0	0	0	116.6
1443	K	31.3	Very low	33.4	Very low	165 Å²	165	118.2 Å²	118.2	72%	0.717	68%	0.679	S	S	*	*			cis	-168.4	127.9	-16.9	-121.5	158.8	-166.3	80	0	107.6	D1441	D1441-K1443 VanDerWaalsContact CG-NZ 3.25Å; D1441-K1443 IonicContact OD1-NZ 3.43Å; D1441-K1443 PolarHBondContact OD1-NZ 2.89Å; D1441-K1443 IonicContact OD2-NZ 3.11Å; D1441-K1443 PolarHBondContact OD2-NZ 3.19Å
1444	D	25.8	Very low	33.7	Very low	155 Å²	155	120.8 Å²	120.8	83%	0.829	69%	0.692	S	S	*	*			trans	-91.8	142.2	163.4	-83.9	-49.1	0	0	0	109.7
1445	E	32.7	Very low	34.2	Very low	193 Å²	193	119.6 Å²	119.6	90%	0.902	68%	0.683	S	S	*	*			trans	-72.9	132.7	165.6	-67.2	-178.5	105	0	0	109.8
1446	I	34.1	Very low	34.8	Very low	150 Å²	150	120.3 Å²	120.3	77%	0.769	68%	0.684	S	S	*	*			trans	-121	121.9	169.3	-60.1	-176.8	0	0	0	108.9
1447	P	35.6	Very low	35.2	Very low	106 Å²	106	120.6 Å²	120.6	69%	0.688	68%	0.68	S	S	*	*			trans	-67.7	150.4	-179.5	-21.2	33.3	0	0	0	114	D1449	P1447-D1449 PolarHBondContact O-N 2.89Å
1448	I	29.9	Very low	35.6	Very low	171 Å²	171	122.7 Å²	122.7	88%	0.877	69%	0.689	S	S	*	*	S	Bend	trans	-81.7	82.1	177.6	-52.8	173.8	0	0	0	109.5
1449	D	34.9	Very low	36.1	Very low	149 Å²	149	120.8 Å²	120.8	80%	0.797	69%	0.688	S	S	*	*			trans	-143.7	36.1	-177.3	-107.7	-36.3	0	0	0	114.2	P1447	P1447-D1449 PolarHBondContact O-N 2.89Å
1450	T	40.1	Very low	36.8	Very low	115 Å²	115	124.2 Å²	124.2	71%	0.706	69%	0.694	S	S	*	*			trans	-135.8	139.3	170.1	51.2	0	0	0	0	113.8	K1452 G1453	T1450-K1452 PolarHBondContact O-N 3.11Å; T1450-G1453 PolarHBondContact O-N 2.88Å; T1450-G1453 VanDerWaalsContact O-N 3.17Å
1451	L	36.5	Very low	36.8	Very low	154 Å²	154	123.8 Å²	123.8	81%	0.806	69%	0.691	S	S	*	*	H	α-helix	trans	-54.6	-27.1	-174.6	-116.3	70.8	0	0	0	114.8	G1453 L1454 A1455	L1451-G1453 VanDerWaalsContact C-N 3.35Å; L1451-G1453 PolarHBondContact O-N 2.95Å; L1451-L1454 PolarHBondContact O-N 3.28Å; L1451-A1455 PolarHBondContact O-N 3.45Å
1452	K	43.7	Very low	36.8	Very low	171 Å²	171	123.1 Å²	123.1	74%	0.743	69%	0.686	S	S	*	*	H	α-helix	trans	-64.5	-37.1	-178.4	-162.8	173.2	-177.8	-179.6	0	112.2	T1450 L1454 A1455 E1456	T1450-K1452 PolarHBondContact O-N 3.11Å; K1452-L1454 VanDerWaalsContact C-N 3.32Å; K1452-L1454 PolarHBondContact O-N 2.92Å; K1452-A1455 PolarHBondContact O-N 2.94Å; K1452-E1456 PolarHBondContact O-N 3.41Å
1453	G	46	Very low	36.6	Very low	40 Å²	40	129.2 Å²	129.2	41%	0.412	70%	0.697	S	S	.	*	H	α-helix	trans	-68	-29.1	177.4	0	0	0	0	0	113.8	T1450 L1451 A1457	T1450-G1453 PolarHBondContact O-N 2.88Å; T1450-G1453 VanDerWaalsContact O-N 3.17Å; L1451-G1453 VanDerWaalsContact C-N 3.35Å; L1451-G1453 PolarHBondContact O-N 2.95Å; G1453-A1457 WeakPolarHBondContact O-CB 3.47Å; G1453-A1457 PolarHBondContact O-N 3.36Å; G1453-A1457 VanDerWaalsContact O-N 3.16Å
1454	L	38.3	Very low	36.6	Very low	115 Å²	115	124.5 Å²	124.5	60%	0.602	69%	0.689	S	S	*	*	H	α-helix	trans	-68.3	-36.3	175.6	-164.1	77.1	0	0	0	111.6	L1451 K1452 A1457 L1458	L1451-L1454 PolarHBondContact O-N 3.28Å; K1452-L1454 VanDerWaalsContact C-N 3.32Å; K1452-L1454 PolarHBondContact O-N 2.92Å; L1454-A1457 PolarHBondContact O-N 3.45Å; L1454-L1458 HydrophobicContact CG-CD1 4.26Å; L1454-L1458 WeakPolarHBondContact O-CG 3.4Å; L1454-L1458 PolarHBondContact O-N 2.83Å; L1454-L1458 VanDerWaalsContact O-N 3.07Å
1455	A	43.5	Very low	36.7	Very low	64 Å²	64	124.9 Å²	124.9	53%	0.529	69%	0.691	S	S	.	*	H	α-helix	trans	-66.4	-43.7	178.4	0	0	0	0	0	112.1	L1451 K1452 A1457 L1458 G1459	L1451-A1455 PolarHBondContact O-N 3.45Å; K1452-A1455 PolarHBondContact O-N 2.94Å; A1455-A1457 VanDerWaalsContact C-N 3.33Å; A1455-A1457 PolarHBondContact O-N 2.83Å; A1455-L1458 PolarHBondContact O-N 3.02Å; A1455-G1459 PolarHBondContact O-N 3.48Å
1456	E	45	Very low	36.5	Very low	128 Å²	128	119.3 Å²	119.3	60%	0.598	69%	0.686	S	S	*	*	H	α-helix	trans	-69.7	-29.1	176.9	-67	-169.4	113.6	0	0	113.3	K1452	K1452-E1456 PolarHBondContact O-N 3.41Å
1457	A	39.7	Very low	36.2	Very low	61 Å²	61	123.7 Å²	123.7	50%	0.504	69%	0.693	S	S	.	*	H	α-helix	trans	-68	-42.6	172.2	0	0	0	0	0	111.8	G1453 L1454 A1455	G1453-A1457 WeakPolarHBondContact O-CB 3.47Å; G1453-A1457 PolarHBondContact O-N 3.36Å; G1453-A1457 VanDerWaalsContact O-N 3.16Å; L1454-A1457 PolarHBondContact O-N 3.45Å; A1455-A1457 VanDerWaalsContact C-N 3.33Å; A1455-A1457 PolarHBondContact O-N 2.83Å
1458	L	36.8	Very low	35.8	Very low	113 Å²	113	127.7 Å²	127.7	59%	0.592	70%	0.702	S	S	*	*	H	α-helix	trans	-73.4	-33.7	178.6	-71.5	168.6	0	0	0	112.8	L1454 A1455 K1460 V1461	L1454-L1458 HydrophobicContact CG-CD1 4.26Å; L1454-L1458 WeakPolarHBondContact O-CG 3.4Å; L1454-L1458 PolarHBondContact O-N 2.83Å; L1454-L1458 VanDerWaalsContact O-N 3.07Å; A1455-L1458 PolarHBondContact O-N 3.02Å; L1458-K1460 PolarHBondContact O-N 3.41Å; L1458-K1460 VanDerWaalsContact O-N 3.16Å; L1458-V1461 PolarHBondContact O-N 2.92Å
1459	G	39.4	Very low	35.8	Very low	55 Å²	55	125.8 Å²	125.8	57%	0.567	70%	0.699	S	S	*	*	H	α-helix	trans	-61.9	-19.3	176.9	0	0	0	0	0	114.6	A1455	A1455-G1459 PolarHBondContact O-N 3.48Å
1460	K	41.8	Very low	35.6	Very low	176 Å²	176	124.9 Å²	124.9	77%	0.765	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	2.9	-179.7	-70.8	171.8	-179.4	168.1	0	114.5	L1458	L1458-K1460 PolarHBondContact O-N 3.41Å; L1458-K1460 VanDerWaalsContact O-N 3.16Å
1461	V	34.2	Very low	35.4	Very low	121 Å²	121	124.8 Å²	124.8	73%	0.733	70%	0.7	S	S	*	*	S	Bend	trans	-106.3	-6.5	-177.3	-178.3	0	0	0	0	112.6	L1458	L1458-V1461 PolarHBondContact O-N 2.92Å
1462	I	30	Very low	35.1	Very low	121 Å²	121	125.3 Å²	125.3	62%	0.621	70%	0.7	S	S	*	*	S	Bend	trans	-118.8	133.3	177.4	-50.6	-179.8	0	0	0	107.9
1463	H	30.2	Very low	34.5	Very low	190 Å²	190	122.5 Å²	122.5	88%	0.88	70%	0.7	S	S	*	*			trans	82.7	68.1	-173.2	-53.1	-73.6	0	0	0	117.5
1464	A	29.7	Very low	34.1	Very low	67 Å²	67	125.3 Å²	125.3	55%	0.554	71%	0.71	S	S	*	*			trans	-157.6	131.9	148.8	0	0	0	0	0	107.1
1465	D	28.5	Very low	33.8	Very low	162 Å²	162	127.2 Å²	127.2	87%	0.866	72%	0.721	S	S	*	*			cis	-136.2	156.7	0.2	-74.9	-55.9	0	0	0	111.2
1466	G	28.7	Very low	33.2	Very low	77 Å²	77	132.7 Å²	132.7	79%	0.794	74%	0.735	S	S	*	*			trans	-148	18.3	-167.1	0	0	0	0	0	117.6
1467	R	28.4	Very low	33	Very low	242 Å²	242	132.1 Å²	132.1	91%	0.913	74%	0.743	S	S	*	*			trans	65.4	112.6	-176.1	-68.3	179	165.1	145.4	-3.9	116.7
1468	E	26.6	Very low	32.4	Very low	189 Å²	189	135.8 Å²	135.8	88%	0.883	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-94	164.1	138.4	-158.9	163.4	-146.4	0	0	109.1
1469	T	30	Very low	31.9	Very low	131 Å²	131	137.2 Å²	137.2	80%	0.804	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-96.8	129.4	-164.2	49.4	0	0	0	0	114.6
1470	T	31.6	Very low	31.3	Very low	130 Å²	130	140.9 Å²	140.9	80%	0.798	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-77.2	131.6	174	-36.5	0	0	0	0	112.6
1471	P	33.9	Very low	30.5	Very low	113 Å²	113	140.3 Å²	140.3	73%	0.734	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-93	151.1	158.7	34.6	-30	0	0	0	112.2
1472	M	31.1	Very low	30.1	Very low	166 Å²	166	138.6 Å²	138.6	82%	0.818	78%	0.777	S	S	*	*			trans	-45	142.9	-174.6	-63.6	158.4	53.5	0	0	117.7
1473	P	30.3	Very low	29.9	Very low	112 Å²	112	139 Å²	139	73%	0.727	79%	0.79	S	S	*	*				-87.8	151.6	123.4	35.7	-30.3	0	0	0	110.7
1474	P	39	Very low	30	Very low	98 Å²	98	136.1 Å²	136.1	64%	0.636	79%	0.786	S	S	*	*			trans	-82.8	151.1	178.2	32.9	-34.3	0	0	0	113.9
1475	D	32.1	Very low	30.1	Very low	155 Å²	155	140.2 Å²	140.2	83%	0.829	79%	0.794	S	S	*	*			trans	59.6	97.6	154.1	-54.2	-22.7	0	0	0	120.4
1476	H	31.1	Very low	30.2	Very low	179 Å²	179	139.5 Å²	139.5	83%	0.829	79%	0.785	S	S	*	*			trans	-59.7	152.4	150.6	-107.7	-58.9	0	0	0	111.1
1477	P	39.5	Very low	30.2	Very low	117 Å²	117	142.3 Å²	142.3	76%	0.76	78%	0.782	S	S	*	*				-142.1	149.9	81.4	37.2	-21.3	0	0	0	116.8
1478	D	27.5	Very low	30.2	Very low	138 Å²	138	138.3 Å²	138.3	74%	0.738	78%	0.777	S	S	*	*			trans	36.8	129	157.7	-82.8	-43.9	0	0	0	123.6
1479	L	26.8	Very low	30.2	Very low	142 Å²	142	134.5 Å²	134.5	74%	0.743	77%	0.771	S	S	*	*			trans	70.1	105.1	148.5	-63.4	171.8	0	0	0	120.8
1480	T	26.3	Very low	31.1	Very low	132 Å²	132	133.9 Å²	133.9	81%	0.81	77%	0.769	S	S	*	*			trans	74.6	157.3	137.1	55.5	0	0	0	0	120.1
1481	D	25	Very low	31	Very low	165 Å²	165	132.9 Å²	132.9	88%	0.882	77%	0.767	S	S	*	*			trans	-56.5	136.9	-169.1	-55.8	-74.9	0	0	0	115.1
1482	A	25.6	Very low	30.8	Very low	85 Å²	85	135 Å²	135	70%	0.702	77%	0.773	S	S	*	*			trans	-155.3	129.4	146.9	0	0	0	0	0	111.3	T1484	A1482-T1484 PolarHBondContact O-N 3.34Å
1483	S	26	Very low	31.5	Very low	128 Å²	128	132 Å²	132	90%	0.895	77%	0.766	S	S	*	*			trans	-66.1	116.7	150.4	-67.8	0	0	0	0	107.5
1484	T	31.8	Very low	31.2	Very low	130 Å²	130	133.9 Å²	133.9	80%	0.798	77%	0.769	S	S	*	*			trans	-74.7	131.9	171.1	-7.3	0	0	0	0	107	A1482	A1482-T1484 PolarHBondContact O-N 3.34Å
1485	Q	31.6	Very low	30.5	Very low	153 Å²	153	134.9 Å²	134.9	72%	0.715	77%	0.773	S	S	*	*			cis	-147	168.3	27.2	-59.9	176.7	37.1	0	0	108.8
1486	Q	31.1	Very low	30.1	Very low	147 Å²	147	134.8 Å²	134.8	69%	0.687	77%	0.772	S	S	*	*			cis	-160.8	145.6	12.5	-142	174.2	75.1	0	0	111.1
1487	L	28.6	Very low	29.8	Very low	137 Å²	137	131.6 Å²	131.6	72%	0.717	77%	0.765	S	S	*	*			trans	68.1	128.6	151.3	-81.5	161.2	0	0	0	123.6
1488	I	29.7	Very low	29.3	Very low	157 Å²	157	131.6 Å²	131.6	81%	0.805	76%	0.764	S	S	*	*			trans	91.2	138.7	155.2	-58.6	159.9	0	0	0	118
1489	S	26	Very low	29.3	Very low	109 Å²	109	133.3 Å²	133.3	76%	0.762	77%	0.769	S	S	*	*			trans	-144.5	177.2	-176.5	-36.7	0	0	0	0	108.8
1490	P	48.8	Very low	29.4	Very low	118 Å²	118	131 Å²	131	77%	0.766	77%	0.765	S	S	*	*			cis	-130.2	174	-43.6	36.9	-22.4	0	0	0	112.3
1491	S	29.4	Very low	29.5	Very low	109 Å²	109	130.4 Å²	130.4	76%	0.762	77%	0.766	S	S	*	*			trans	168.5	152.3	134.6	44.3	0	0	0	0	115.3
1492	N	29.6	Very low	29.8	Very low	159 Å²	159	126.9 Å²	126.9	85%	0.85	76%	0.76	S	S	*	*			trans	68.7	160.9	160.6	-77.5	-1	0	0	0	119.2
1493	P	44.8	Very low	30	Very low	103 Å²	103	129.6 Å²	129.6	67%	0.669	77%	0.768	S	S	*	*			trans	-120.8	-175.9	-141.5	44.6	-35.9	0	0	0	117
1494	D	24.1	Very low	30.2	Very low	150 Å²	150	132.9 Å²	132.9	80%	0.802	77%	0.769	S	S	*	*			trans	101.4	127.5	150.2	-78.1	-34.9	0	0	0	121.7
1495	V	24.4	Very low	30.2	Very low	119 Å²	119	130 Å²	130	72%	0.721	77%	0.765	S	S	*	*			trans	87.1	105.8	144.5	172.6	0	0	0	0	121.9
1496	L	24.3	Very low	30.1	Very low	154 Å²	154	128.7 Å²	128.7	81%	0.806	77%	0.773	S	S	*	*			trans	68.4	136.7	136.7	-75.4	176.8	0	0	0	125.4
1497	T	25.7	Very low	30.1	Very low	111 Å²	111	126.3 Å²	126.3	68%	0.681	78%	0.778	S	S	*	*			trans	86.8	99.5	135	-63.5	0	0	0	0	122.8
1498	T	28.4	Very low	30.2	Very low	118 Å²	118	124.9 Å²	124.9	72%	0.724	78%	0.78	S	S	*	*				63	118.4	114.8	-47.3	0	0	0	0	124
1499	M	27.2	Very low	30.2	Very low	174 Å²	174	122.6 Å²	122.6	86%	0.857	78%	0.777	S	S	*	*				31.3	156.9	128.7	-59.7	-161.9	174.9	0	0	123.4
1500	S	28.6	Very low	30.4	Very low	93 Å²	93	122.8 Å²	122.8	65%	0.65	77%	0.774	S	S	*	*			cis	-174.8	153.5	-17	-88.7	0	0	0	0	114.1
1501	S	29.3	Very low	29.4	Very low	120 Å²	120	125 Å²	125	84%	0.839	78%	0.776	S	S	*	*			trans	62.2	129.7	139.5	64.8	0	0	0	0	127.3
1502	A	29.9	Very low	29.7	Very low	91 Å²	91	127.5 Å²	127.5	75%	0.752	78%	0.779	S	S	*	*			trans	-170.7	153.9	149.3	0	0	0	0	0	108.7
1503	V	31.1	Very low	29.7	Very low	142 Å²	142	127 Å²	127	86%	0.861	77%	0.772	S	S	*	*			cis	72.5	137.2	-7.8	-62.3	0	0	0	0	120.3
1504	E	30.1	Very low	29.1	Very low	197 Å²	197	127.8 Å²	127.8	92%	0.921	77%	0.771	S	S	*	*			cis	-141.2	175.2	6.6	-57.9	177.8	111	0	0	110.7
1505	G	30.8	Very low	29.7	Very low	69 Å²	69	126.2 Å²	126.2	71%	0.711	76%	0.761	S	S	*	*			cis	137.1	108.9	-11	0	0	0	0	0	116.5
1506	S	30.5	Very low	30	Very low	126 Å²	126	124.1 Å²	124.1	88%	0.881	75%	0.746	S	S	*	*			trans	-172.7	130.7	170.6	-83.6	0	0	0	0	120
1507	A	30.3	Very low	30.3	Very low	96 Å²	96	120.6 Å²	120.6	79%	0.793	74%	0.739	S	S	*	*			trans	52.6	147.4	142.1	0	0	0	0	0	124
1508	S	30.1	Very low	30.5	Very low	108 Å²	108	118.5 Å²	118.5	76%	0.755	73%	0.729	S	S	*	*			cis	-171.7	156.1	-6.4	-99.7	0	0	0	0	115.1
1509	S	30.7	Very low	30.7	Very low	108 Å²	108	116.3 Å²	116.3	76%	0.755	72%	0.715	S	S	*	*			trans	70.9	143.7	155.3	-64.3	0	0	0	0	120.7
1510	T	29.8	Very low	30.7	Very low	114 Å²	114	112 Å²	112	70%	0.699	70%	0.702	S	S	*	*			cis	-159.6	-156.5	-7.6	20.9	0	0	0	0	107.6
1511	M	28.4	Very low	30.7	Very low	163 Å²	163	111.3 Å²	111.3	80%	0.803	70%	0.702	S	S	*	*			cis	-163.7	-179	22.3	-65.9	178.9	172.1	0	0	111.2
1512	I	35.2	Very low	30.7	Very low	163 Å²	163	110.9 Å²	110.9	84%	0.836	69%	0.694	S	S	*	*			trans	80	149.3	163.8	-47.4	176.8	0	0	0	117.4
1513	E	30.6	Very low	30.5	Very low	147 Å²	147	114.3 Å²	114.3	69%	0.687	70%	0.7	S	S	*	*				-164.7	-177.8	-64.8	-148.6	152.5	-158.2	0	0	109.8
1514	D	31.6	Very low	30.3	Very low	121 Å²	121	111 Å²	111	65%	0.647	69%	0.687	S	S	*	*			trans	73.2	112.2	165	-68.8	-9.3	0	0	0	119.8
1515	I	37.5	Very low	30.1	Very low	116 Å²	116	106.9 Å²	106.9	60%	0.595	68%	0.68	S	S	*	*				75.2	122	92.1	-67.6	167.3	0	0	0	111.9	T1437 T1438	T1437-I1515 WeakPolarHBondContact OG1-CG1 3.36Å; T1438-I1515 HydrophobicContact CG2-CD1 4.24Å; T1438-I1515 HydrophobicContact CG2-CG1 3.81Å
1516	D	29.8	Very low	29.8	Very low	75 Å²	75	111.9 Å²	111.9	40%	0.401	69%	0.687	S	S	.	*			cis	-139.8	-146.7	9.1	-156.4	33.1	0	0	0	110.2	G1436 T1437	G1436-D1516 WeakPolarHBondContact CA-OD1 3.47Å; T1437-D1516 VanDerWaalsContact CB-OD1 3.29Å; T1437-D1516 WeakPolarHBondContact CB-OD1 3.33Å; T1437-D1516 VanDerWaalsContact CG2-OD1 3.27Å; T1437-D1516 WeakPolarHBondContact CG2-OD1 3.48Å; T1437-D1516 PolarHBondContact N-OD1 3.17Å; T1437-D1516 PolarHBondContact OG1-OD1 3.18Å
1517	A	30.3	Very low	29.6	Very low	81 Å²	81	113.8 Å²	113.8	67%	0.669	68%	0.684	S	S	*	*			cis	-160.8	179.5	7.5	0	0	0	0	0	113.3
1518	S	30.5	Very low	29.6	Very low	67 Å²	67	117 Å²	117	47%	0.469	69%	0.688	S	S	.	*			trans	-133.4	178.4	167.8	53.2	0	0	0	0	109.7	I1435	I1435-S1518 PolarHBondContact N-OG 3.05Å
1519	T	31.9	Very low	29.3	Very low	72 Å²	72	117.4 Å²	117.4	44%	0.442	69%	0.691	S	S	.	*			cis	-145.6	171.7	26.4	54.2	0	0	0	0	109.4	D1433	D1433-T1519 HydrophobicContact CB-CG2 3.61Å; D1433-T1519 WeakPolarHBondContact OD1-CB 3.49Å; D1433-T1519 WeakPolarHBondContact OD1-CG2 3.48Å
1520	S	27.6	Very low	29.2	Very low	83 Å²	83	120.7 Å²	120.7	58%	0.58	70%	0.697	S	S	*	*			cis	102.2	125.6	20	179.7	0	0	0	0	117.4	D1433	D1433-S1520 WeakPolarHBondContact OD1-CB 2.88Å; D1433-S1520 WeakPolarHBondContact OD2-CB 3.42Å; D1433-S1520 PolarHBondContact OD2-OG 3.48Å
1521	A	29.8	Very low	30.2	Very low	78 Å²	78	120.8 Å²	120.8	65%	0.645	70%	0.699	S	S	*	*			trans	52.4	164.8	158.5	0	0	0	0	0	122.5
1522	V	28.9	Very low	30.9	Very low	112 Å²	112	119.2 Å²	119.2	68%	0.679	70%	0.701	S	S	*	*			cis	-141.3	143	2.3	-93.2	0	0	0	0	113.2
1523	D	24.8	Very low	30.6	Very low	163 Å²	163	114.9 Å²	114.9	87%	0.872	70%	0.696	S	S	*	*			trans	44.7	171.5	136.9	-154	32	0	0	0	125.9
1524	A	27	Very low	30.6	Very low	72 Å²	72	112.1 Å²	112.1	60%	0.595	70%	0.698	S	S	*	*			trans	110.5	59.3	147.4	0	0	0	0	0	121.1
1525	S	25.7	Very low	30.5	Very low	110 Å²	110	115.1 Å²	115.1	77%	0.769	71%	0.709	S	S	*	*			trans	75.2	150.9	132.3	83.7	0	0	0	0	123.7
1526	M	25.8	Very low	30.2	Very low	175 Å²	175	116.8 Å²	116.8	86%	0.862	72%	0.719	S	S	*	*			trans	66.2	143	157.7	-74.1	-156.8	170.6	0	0	122.2
1527	M	26	Very low	30.2	Very low	166 Å²	166	117.8 Å²	117.8	82%	0.818	73%	0.732	S	S	*	*			trans	56.7	97.5	163.3	-66.6	-173.3	179	0	0	118.9
1528	N	29.3	Very low	30.3	Very low	164 Å²	164	120.9 Å²	120.9	88%	0.877	74%	0.743	S	S	*	*				-162.3	153.8	111.4	-108.1	-44.5	0	0	0	113.9
1529	S	24.8	Very low	30.2	Very low	116 Å²	116	123.7 Å²	123.7	81%	0.811	75%	0.752	S	S	*	*			trans	-129.5	96.2	172.4	-60.8	0	0	0	0	109.7
1530	M	28.6	Very low	30	Very low	177 Å²	177	129.3 Å²	129.3	87%	0.872	77%	0.774	S	S	*	*			trans	-165.1	120.9	167.8	-110.7	174.7	86.4	0	0	113.2
1531	P	49.8	Very low	30.2	Very low	115 Å²	115	132.2 Å²	132.2	75%	0.747	78%	0.781	S	S	*	*			trans	-118.9	-169.2	136.5	40.9	-32.7	0	0	0	108.7
1532	P	43	Very low	30.8	Very low	131 Å²	131	134.2 Å²	134.2	85%	0.851	79%	0.788	S	S	*	*			cis	-131.1	-175.2	-5.3	42.4	-26.6	0	0	0	114.3
1533	G	28.4	Very low	30.9	Very low	71 Å²	71	134 Å²	134	73%	0.732	80%	0.797	S	S	*	*			trans	-175.2	145.2	163.3	0	0	0	0	0	115.5
1534	A	30.6	Very low	31	Very low	89 Å²	89	131 Å²	131	74%	0.736	80%	0.796	S	S	*	*			trans	66.6	108.3	178	0	0	0	0	0	116.4
1535	Q	30.7	Very low	31	Very low	184 Å²	184	136.1 Å²	136.1	86%	0.86	81%	0.809	S	S	*	*				86.1	142.5	74.3	-78.5	171.3	-14	0	0	112.7
1536	N	30	Very low	31.2	Very low	152 Å²	152	136.7 Å²	136.7	81%	0.813	81%	0.808	S	S	*	*			cis	-140.9	-178	40.2	-152.7	-0.6	0	0	0	115
1537	S	31.6	Very low	31.5	Very low	96 Å²	96	135.8 Å²	135.8	67%	0.671	81%	0.806	S	S	*	*			trans	-154.8	143.2	-167.9	54.9	0	0	0	0	115.6
1538	T	31.5	Very low	31.7	Very low	146 Å²	146	132.3 Å²	132.3	90%	0.896	80%	0.798	S	S	*	*			trans	-159	168.4	158.9	-46.5	0	0	0	0	109.5
1539	D	28.2	Very low	31.8	Very low	125 Å²	125	131.4 Å²	131.4	67%	0.668	79%	0.79	S	S	*	*				-167.7	141.4	-85.3	-136.9	-18.9	0	0	0	110
1540	Q	28.7	Very low	32	Very low	191 Å²	191	132.2 Å²	132.2	89%	0.893	79%	0.785	S	S	*	*			trans	173.4	163.6	150.7	-103.2	172	77.1	0	0	114.9
1541	I	30.7	Very low	32.1	Very low	143 Å²	143	130 Å²	130	73%	0.733	77%	0.773	S	S	*	*			trans	-147.9	159.5	-162.9	-93.5	171.5	0	0	0	111.4
1542	P	43.1	Very low	31.1	Very low	121 Å²	121	132 Å²	132	79%	0.786	77%	0.772	S	S	*	*			trans	-119.5	173.5	-155.1	42.3	-31.7	0	0	0	117.9
1543	A	29.8	Very low	30.3	Very low	107 Å²	107	132 Å²	132	88%	0.884	77%	0.774	S	S	*	*			trans	-156.9	171.4	162.6	0	0	0	0	0	110.9
1544	A	26.6	Very low	30.4	Very low	101 Å²	101	132.5 Å²	132.5	84%	0.835	77%	0.772	S	S	*	*			trans	-150.2	150.4	-170.9	0	0	0	0	0	116.4
1545	M	28.7	Very low	30.2	Very low	178 Å²	178	137 Å²	137	88%	0.877	78%	0.777	S	S	*	*			trans	-170.4	142.9	153.9	-112.4	-177.9	-175.9	0	0	113.6
1546	T	29.3	Very low	29.9	Very low	123 Å²	123	132.8 Å²	132.8	76%	0.755	77%	0.768	S	S	*	*			trans	50.1	119.6	156.8	46	0	0	0	0	119.7
1547	L	32.1	Very low	29.8	Very low	156 Å²	156	133.6 Å²	133.6	82%	0.817	77%	0.769	S	S	*	*			cis	-174.6	136.7	49.9	-111.8	161.2	0	0	0	113.4
1548	S	29.5	Very low	29.5	Very low	92 Å²	92	136.1 Å²	136.1	64%	0.643	78%	0.781	S	S	*	*			trans	33.5	126.9	148.3	-59.9	0	0	0	0	126.7
1549	M	31.1	Very low	29.5	Very low	146 Å²	146	134.1 Å²	134.1	72%	0.719	77%	0.772	S	S	*	*			trans	70.2	140.9	130.8	-62.6	176.2	79.4	0	0	120.3
1550	D	29.9	Very low	29.6	Very low	132 Å²	132	133.9 Å²	133.9	71%	0.706	78%	0.781	S	S	*	*			cis	-110.2	145	-2.1	-66.5	-57.6	0	0	0	110.1
1551	Q	31	Very low	29.7	Very low	131 Å²	131	132.4 Å²	132.4	61%	0.612	78%	0.777	S	S	*	*			cis	74.4	121.8	43.3	-160	169.2	7	0	0	111.8
1552	E	29.2	Very low	29.6	Very low	156 Å²	156	131.1 Å²	131.1	73%	0.729	78%	0.777	S	S	*	*			cis	-148.9	131.1	4.8	-132.2	147.8	-147.9	0	0	106.7
1553	C	25.3	Very low	29	Very low	131 Å²	131	135.8 Å²	135.8	89%	0.885	78%	0.778	S	S	*	*				83.1	142	50.4	-152.6	0	0	0	0	114.6
1554	A	30.9	Very low	28.9	Very low	83 Å²	83	137.1 Å²	137.1	69%	0.686	77%	0.771	S	S	*	*			trans	-123.4	165.1	-158.9	0	0	0	0	0	114.4
1555	Q	25.5	Very low	29	Very low	182 Å²	182	137.8 Å²	137.8	85%	0.85	76%	0.764	S	S	*	*			trans	-170.1	150	160.7	-115.3	155.4	89.6	0	0	114.5
1556	S	24.8	Very low	28.9	Very low	96 Å²	96	134.7 Å²	134.7	67%	0.671	76%	0.756	S	S	*	*			trans	67.5	138	145	-76.9	0	0	0	0	120.1
1557	M	28.5	Very low	28.8	Very low	170 Å²	170	132.3 Å²	132.3	84%	0.837	76%	0.756	S	S	*	*			cis	-143.5	159.8	-2.6	-57.3	-171	-177.6	0	0	111.4
1558	T	26	Very low	28.7	Very low	148 Å²	148	130.3 Å²	130.3	91%	0.908	75%	0.75	S	S	*	*			trans	-106.4	110.9	163.5	49.2	0	0	0	0	112.2
1559	S	29.6	Very low	28.6	Very low	104 Å²	104	136.3 Å²	136.3	73%	0.727	77%	0.765	S	S	*	*			trans	-156.8	134.2	158.9	51.9	0	0	0	0	107.1
1560	S	31.6	Very low	28.4	Very low	121 Å²	121	134.5 Å²	134.5	85%	0.846	76%	0.757	S	S	*	*			cis	-140.8	161.8	37.3	-66.4	0	0	0	0	115.6
1561	I	29.5	Very low	28.4	Very low	159 Å²	159	133.1 Å²	133.1	82%	0.815	77%	0.765	S	S	*	*			trans	-66.9	134	179	-67.6	152.9	0	0	0	112.5
1562	T	29.7	Very low	28.5	Very low	117 Å²	117	132.9 Å²	132.9	72%	0.718	77%	0.772	S	S	*	*				-175.5	132.2	121.7	20.3	0	0	0	0	115.5
1563	R	30.5	Very low	28.5	Very low	218 Å²	218	128.8 Å²	128.8	82%	0.823	75%	0.752	S	S	*	*			trans	66.7	102.6	145.4	-69.4	178.3	174.5	163.4	-1.6	122.6
1564	N	27.8	Very low	28.9	Very low	135 Å²	135	131.1 Å²	131.1	72%	0.722	75%	0.75	S	S	*	*				68.3	83.4	116.9	-62	21.1	0	0	0	121.4
1565	T	27.8	Very low	29.2	Very low	115 Å²	115	134 Å²	134	71%	0.706	75%	0.754	S	S	*	*				4.8	117.9	124.1	52.4	0	0	0	0	120.8	K716	K716-T1565 PolarHBondContact NZ-O 2.91Å
1566	T	27.1	Very low	29.5	Very low	114 Å²	114	128.6 Å²	128.6	70%	0.699	73%	0.73	S	S	*	*			trans	-141.6	108.1	135.8	21.9	0	0	0	0	109.2	T1568	T1566-T1568 PolarHBondContact O-N 2.78Å
1567	G	28.4	Very low	29.9	Very low	73 Å²	73	130.2 Å²	130.2	75%	0.753	73%	0.727	S	S	*	*			trans	-85.8	96.4	-172.9	0	0	0	0	0	113.8
1568	T	30.1	Very low	30.2	Very low	114 Å²	114	127.1 Å²	127.1	70%	0.699	72%	0.718	S	S	*	*			trans	40.6	89.6	142.7	52.2	0	0	0	0	119	T1566 L1570	T1566-T1568 PolarHBondContact O-N 2.78Å; T1568-L1570 HydrophobicContact CG2-CB 4.41Å; T1568-L1570 PolarHBondContact O-N 2.88Å; T1568-L1570 VanDerWaalsContact O-N 3.12Å
1569	K	26	Very low	30.4	Very low	218 Å²	218	122.6 Å²	122.6	95%	0.948	70%	0.696	S	S	*	*			trans	-74.1	63.3	137.1	-77.3	-174.7	176.9	175.6	0	109.8
1570	L	27.6	Very low	30.4	Very low	107 Å²	107	119.8 Å²	119.8	56%	0.56	67%	0.673	S	S	*	*			trans	-140.4	94.3	176.8	-90.6	99	0	0	0	110.8	T1568 F1573	T1568-L1570 HydrophobicContact CG2-CB 4.41Å; T1568-L1570 PolarHBondContact O-N 2.88Å; T1568-L1570 VanDerWaalsContact O-N 3.12Å; L1570-F1573 HydrophobicContact CD2-CB 4Å; L1570-F1573 HydrophobicContact CD2-CD2 3.84Å; L1570-F1573 HydrophobicContact CD2-CG 3.94Å; L1570-F1573 HydrophobicContact CG-CD2 4.28Å
1571	A	29	Very low	30.4	Very low	104 Å²	104	119 Å²	119	86%	0.86	67%	0.667	S	S	*	*	S	Bend	trans	-136	31.3	173	0	0	0	0	0	112
1572	T	34.6	Very low	30.5	Very low	126 Å²	126	116.3 Å²	116.3	77%	0.773	66%	0.662	S	S	*	*	S	Bend	trans	-138.3	4.6	-178.4	31.5	0	0	0	0	113.5
1573	F	29.1	Very low	30.5	Very low	69 Å²	69	115.3 Å²	115.3	30%	0.303	66%	0.656	S	S	.	*			trans	-103.2	-19.3	-159.9	-115.6	-81.9	0	0	0	117	Y547 L1570 N1575 L1576	Y547-F1573 HydrophobicContact CD1-CZ 4.37Å; Y547-F1573 HydrophobicContact CE1-CZ 4.23Å; L1570-F1573 HydrophobicContact CD2-CB 4Å; L1570-F1573 HydrophobicContact CD2-CD2 3.84Å; L1570-F1573 HydrophobicContact CD2-CG 3.94Å; L1570-F1573 HydrophobicContact CG-CD2 4.28Å; F1573-N1575 VanDerWaalsContact C-N 3.35Å; F1573-N1575 PolarHBondContact O-N 3.02Å; F1573-L1576 HydrophobicContact CD1-CB 4.49Å; F1573-L1576 HydrophobicContact CD1-CD2 4.45Å; F1573-L1576 HydrophobicContact CE1-CD2 3.88Å; F1573-L1576 PolarHBondContact O-N 2.89Å
1574	E	33.7	Very low	30.3	Very low	181 Å²	181	110.8 Å²	110.8	85%	0.846	65%	0.648	S	S	*	*	H	α-helix	trans	-68.8	-30	-177.8	-69.4	-170.3	125.7	0	0	113.4	L1576	E1574-L1576 PolarHBondContact O-N 2.88Å
1575	N	36.8	Very low	30.3	Very low	142 Å²	142	108 Å²	108	76%	0.759	65%	0.651	S	S	*	*	H	α-helix	trans	-68.8	-12.3	176.2	-83.9	-25.9	0	0	0	113.8	F1573 A1579	F1573-N1575 VanDerWaalsContact C-N 3.35Å; F1573-N1575 PolarHBondContact O-N 3.02Å; N1575-A1579 WeakPolarHBondContact O-CB 3.47Å; N1575-A1579 PolarHBondContact O-N 3.06Å
1576	L	32.2	Very low	30.2	Very low	69 Å²	69	108 Å²	108	36%	0.361	65%	0.65	S	S	.	*	H	α-helix	trans	-81.6	-33.6	-177.1	-148	78.6	0	0	0	112.8	F1573 E1574 A1579 L1580	F1573-L1576 HydrophobicContact CD1-CB 4.49Å; F1573-L1576 HydrophobicContact CD1-CD2 4.45Å; F1573-L1576 HydrophobicContact CE1-CD2 3.88Å; F1573-L1576 PolarHBondContact O-N 2.89Å; E1574-L1576 PolarHBondContact O-N 2.88Å; L1576-A1579 PolarHBondContact O-N 3.42Å; L1576-L1580 HydrophobicContact CD2-CD1 3.88Å; L1576-L1580 HydrophobicContact CG-CD1 3.85Å; L1576-L1580 HydrophobicContact CG-CG 4.31Å; L1576-L1580 WeakPolarHBondContact O-CB 3.36Å; L1576-L1580 VanDerWaalsContact O-CG 3.27Å; L1576-L1580 WeakPolarHBondContact O-CG 3.39Å; L1576-L1580 PolarHBondContact O-N 2.9Å
1577	E	33.2	Very low	30.3	Very low	130 Å²	130	109 Å²	109	61%	0.607	65%	0.647	S	S	*	*	H	α-helix	trans	-69.5	-43.5	179.9	-69.9	-163.2	134.1	0	0	111.6	A1579 L1580 S1581	E1577-A1579 VanDerWaalsContact C-N 3.31Å; E1577-A1579 PolarHBondContact O-N 3Å; E1577-L1580 PolarHBondContact O-N 2.88Å; E1577-S1581 WeakPolarHBondContact O-CB 3.15Å; E1577-S1581 PolarHBondContact O-N 2.97Å; E1577-S1581 PolarHBondContact O-OG 3.47Å
1578	T	34.1	Very low	30.3	Very low	105 Å²	105	111.2 Å²	111.2	64%	0.644	64%	0.64	S	S	*	*	H	α-helix	trans	-64.3	-35.6	175.9	-39.9	0	0	0	0	112.4	S1582	T1578-S1582 PolarHBondContact O-OG 3.34Å
1579	A	30.5	Very low	30.2	Very low	54 Å²	54	109.3 Å²	109.3	45%	0.446	62%	0.62	S	S	.	*	H	α-helix	trans	-68.6	-47.1	175.3	0	0	0	0	0	112.1	N1575 L1576 E1577 S1582 T1583	N1575-A1579 WeakPolarHBondContact O-CB 3.47Å; N1575-A1579 PolarHBondContact O-N 3.06Å; L1576-A1579 PolarHBondContact O-N 3.42Å; E1577-A1579 VanDerWaalsContact C-N 3.31Å; E1577-A1579 PolarHBondContact O-N 3Å; A1579-S1582 WeakPolarHBondContact O-CB 3.01Å; A1579-S1582 PolarHBondContact O-N 3.07Å; A1579-T1583 PolarHBondContact O-OG1 2.86Å
1580	L	29	Very low	30.2	Very low	45 Å²	45	101.6 Å²	101.6	24%	0.236	59%	0.588	C	S	.	*	H	α-helix	trans	-73.5	-30.2	-177.2	-69.6	172.2	0	0	0	113.3	P543 L1576 E1577 S1582 T1583	P543-L1580 HydrophobicContact CB-CD1 4.43Å; L1576-L1580 HydrophobicContact CD2-CD1 3.88Å; L1576-L1580 HydrophobicContact CG-CD1 3.85Å; L1576-L1580 HydrophobicContact CG-CG 4.31Å; L1576-L1580 WeakPolarHBondContact O-CB 3.36Å; L1576-L1580 VanDerWaalsContact O-CG 3.27Å; L1576-L1580 WeakPolarHBondContact O-CG 3.39Å; L1576-L1580 PolarHBondContact O-N 2.9Å; E1577-L1580 PolarHBondContact O-N 2.88Å; L1580-S1582 PolarHBondContact O-N 2.94Å; L1580-S1582 VanDerWaalsContact O-N 3.14Å; L1580-T1583 PolarHBondContact O-N 3.23Å
1581	S	32.3	Very low	30.5	Very low	103 Å²	103	99.7 Å²	99.7	72%	0.72	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-19.4	170.9	-68.7	0	0	0	0	113.4	E1577	E1577-S1581 WeakPolarHBondContact O-CB 3.15Å; E1577-S1581 PolarHBondContact O-N 2.97Å; E1577-S1581 PolarHBondContact O-OG 3.47Å
1582	S	31.4	Very low	30.4	Very low	104 Å²	104	101.7 Å²	101.7	73%	0.727	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-6	175.6	-58.5	0	0	0	0	114	T1578 A1579 L1580	T1578-S1582 PolarHBondContact O-OG 3.34Å; A1579-S1582 WeakPolarHBondContact O-CB 3.01Å; A1579-S1582 PolarHBondContact O-N 3.07Å; L1580-S1582 PolarHBondContact O-N 2.94Å; L1580-S1582 VanDerWaalsContact O-N 3.14Å
1583	T	29.8	Very low	30	Very low	96 Å²	96	100 Å²	100	59%	0.589	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-17.3	-166.6	-49.3	0	0	0	0	113.8	A1579 L1580 G1585	A1579-T1583 PolarHBondContact O-OG1 2.86Å; L1580-T1583 PolarHBondContact O-N 3.23Å; T1583-G1585 VanDerWaalsContact C-N 3.32Å; T1583-G1585 PolarHBondContact O-N 3.44Å
1584	L	25.4	Very low	30	Very low	123 Å²	123	102.1 Å²	102.1	64%	0.644	60%	0.598	S	S	*	*			trans	-93.4	46	178.6	-96.4	158.3	0	0	0	113.5	P543 T1586	P543-L1584 HydrophobicContact CG-CD1 3.96Å; L1584-T1586 PolarHBondContact O-N 3.49Å; L1584-T1586 VanDerWaalsContact O-N 3.16Å
1585	G	28.5	Very low	29.6	Very low	76 Å²	76	98.4 Å²	98.4	78%	0.784	59%	0.591	S	S	*	*			trans	-70.5	102.6	170.9	0	0	0	0	0	111.7	T1583	T1583-G1585 VanDerWaalsContact C-N 3.32Å; T1583-G1585 PolarHBondContact O-N 3.44Å
1586	T	25.1	Very low	29.2	Very low	114 Å²	114	96.1 Å²	96.1	70%	0.699	59%	0.586	S	S	*	*			trans	-74.9	164.9	172.6	57	0	0	0	0	112	L1584	L1584-T1586 PolarHBondContact O-N 3.49Å; L1584-T1586 VanDerWaalsContact O-N 3.16Å
1587	H	29.7	Very low	29	Very low	137 Å²	137	102.7 Å²	102.7	63%	0.634	61%	0.606	S	S	*	*			trans	75.8	106.2	174.2	-80.5	-100.9	0	0	0	119.9
1588	I	28.2	Very low	28.6	Very low	119 Å²	119	102.2 Å²	102.2	61%	0.61	61%	0.608	S	S	*	*				57.1	135.8	107.8	-64.6	-176.7	0	0	0	119.5
1589	R	27	Very low	28.2	Very low	74 Å²	74	105.3 Å²	105.3	28%	0.279	62%	0.615	S	S	.	*			trans	-0.2	116.8	150.7	-86.2	34	-119	-82.8	1.4	115.5	E339 L340 G341 V348	E339-R1589 VanDerWaalsContact CB-NH2 3.28Å; E339-R1589 PolarHBondContact O-NH1 3.48Å; E339-R1589 IonicContact OE1-CZ 3.1Å; E339-R1589 IonicContact OE1-NE 2.77Å; E339-R1589 PolarHBondContact OE1-NE 2.94Å; E339-R1589 IonicContact OE1-NH2 2.85Å; E339-R1589 PolarHBondContact OE1-NH2 2.57Å; E339-R1589 WeakPolarHBondContact OE2-CG 3.31Å; E339-R1589 IonicContact OE2-CZ 3.49Å; E339-R1589 IonicContact OE2-NE 2.65Å; E339-R1589 PolarHBondContact OE2-NE 3.15Å; E339-R1589 IonicContact OE2-NH2 2.68Å; L340-R1589 VanDerWaalsContact C-CZ 3.44Å; L340-R1589 VanDerWaalsContact C-NH2 3.34Å; L340-R1589 PolarHBondContact O-NH1 2.9Å; L340-R1589 VanDerWaalsContact O-NH1 3.13Å; G341-R1589 VanDerWaalsContact C-CZ 3.42Å; G341-R1589 VanDerWaalsContact CA-NH2 3.32Å; G341-R1589 PolarHBondContact O-NH2 3.16Å; V348-R1589 PolarHBondContact O-NH2 2.94Å; V348-R1589 VanDerWaalsContact O-NH2 3.12Å
1590	Q	27.4	Very low	28.3	Very low	56 Å²	56	107.9 Å²	107.9	26%	0.262	63%	0.625	S	S	.	*				55.4	152.9	68.1	-89.8	-138.1	3.8	0	0	114.6	E339 R342 T347	E339-Q1590 VanDerWaalsContact OE1-CB 3.25Å; E339-Q1590 WeakPolarHBondContact OE1-CB 3.36Å; E339-Q1590 PolarHBondContact OE1-OE1 3.48Å; E339-Q1590 WeakPolarHBondContact OE2-CB 3.4Å; R342-Q1590 HydrophobicContact CG-CG 4.17Å; R342-Q1590 VanDerWaalsContact CZ-CG 3.48Å; R342-Q1590 VanDerWaalsContact NH1-N 3.12Å; T347-Q1590 PolarHBondContact OG1-NE2 2.74Å
1591	P	33.8	Very low	28.5	Very low	66 Å²	66	111.7 Å²	111.7	43%	0.429	65%	0.651	S	S	.	*			cis	-136.7	179.1	-25.1	34.6	-16.4	0	0	0	115.7
1592	N	26.1	Very low	28.3	Very low	146 Å²	146	110.5 Å²	110.5	78%	0.781	65%	0.647	S	S	*	*			trans	64.5	144.6	150.6	-65	-10.5	0	0	0	122.4
1593	A	26.5	Very low	28.4	Very low	90 Å²	90	110.9 Å²	110.9	74%	0.744	65%	0.647	S	S	*	*			trans	-127.3	-176.9	163.1	0	0	0	0	0	105.9
1594	P	29.5	Very low	28.3	Very low	115 Å²	115	114.4 Å²	114.4	75%	0.747	66%	0.659	S	S	*	*			cis	-135.7	-168.5	1.9	42.1	-22.7	0	0	0	114.5
1595	S	26.1	Very low	28.5	Very low	102 Å²	102	115.2 Å²	115.2	71%	0.713	67%	0.669	S	S	*	*			trans	5.2	140.2	136.7	-160.7	0	0	0	0	118.6
1596	S	27	Very low	29	Very low	94 Å²	94	116.9 Å²	116.9	66%	0.657	67%	0.667	S	S	*	*			cis	-176.9	-171.7	-9.2	50	0	0	0	0	110
1597	R	27.9	Very low	29.2	Very low	207 Å²	207	114.7 Å²	114.7	78%	0.781	66%	0.656	S	S	*	*			trans	74.9	151	167.4	-48.5	-172.2	73.2	162.4	4	116.1
1598	D	25.5	Very low	29.2	Very low	121 Å²	121	116.3 Å²	116.3	65%	0.647	66%	0.661	S	S	*	*			cis	-151.6	138.9	-25.4	-103.4	-20.2	0	0	0	107.7
1599	E	26.1	Very low	29.3	Very low	169 Å²	169	116.2 Å²	116.2	79%	0.79	67%	0.666	S	S	*	*			trans	-128.6	143.1	157.7	-110.2	-149.4	92.2	0	0	107.6
1600	T	33	Very low	29.5	Very low	108 Å²	108	119.5 Å²	119.5	66%	0.663	69%	0.69	S	S	*	*			cis	-132.8	156.9	14.5	-52.2	0	0	0	0	112.3
1601	T	31.8	Very low	29.6	Very low	126 Å²	126	124.7 Å²	124.7	77%	0.773	71%	0.714	S	S	*	*			trans	-22.8	148.1	168.3	-39	0	0	0	0	118.8
1602	A	28.1	Very low	29.5	Very low	77 Å²	77	131.8 Å²	131.8	64%	0.636	73%	0.732	S	S	*	*			trans	-62.3	-168.3	162.3	0	0	0	0	0	112.3
1603	P	34.8	Very low	29.8	Very low	113 Å²	113	131.9 Å²	131.9	73%	0.734	73%	0.731	S	S	*	*			cis	-122	153.3	1.2	19.1	7.1	0	0	0	114.1
1604	M	26.9	Very low	30.1	Very low	169 Å²	169	131.4 Å²	131.4	83%	0.833	73%	0.734	S	S	*	*				45.4	123.1	85.4	-50.4	-175.4	81.7	0	0	116.3
1605	T	29.4	Very low	30.2	Very low	140 Å²	140	130 Å²	130	86%	0.859	74%	0.742	S	S	*	*				-165.8	159.7	116.1	17.3	0	0	0	0	111
1606	P	40.1	Very low	30.5	Very low	112 Å²	112	129.1 Å²	129.1	73%	0.727	75%	0.748	S	S	*	*			trans	-102.5	-158.8	-160.8	43.1	-36.5	0	0	0	112.5
1607	S	27.8	Very low	30.7	Very low	67 Å²	67	128.8 Å²	128.8	47%	0.469	76%	0.759	S	S	.	*			cis	-174.3	153.6	25	21.1	0	0	0	0	114.1	Q214	Q214-S1607 PolarHBondContact NE2-O 2.98Å
1608	F	29.7	Very low	30.9	Very low	171 Å²	171	123.1 Å²	123.1	75%	0.75	77%	0.765	S	S	*	*			trans	55.7	158.4	145.9	-61.4	-52.6	0	0	0	120	Q214	Q214-F1608 PolarHBondContact NE2-O 2.94Å
1609	T	30.9	Very low	31.1	Very low	118 Å²	118	121.1 Å²	121.1	72%	0.724	77%	0.773	S	S	*	*			cis	-143.8	174.1	3.3	-9.2	0	0	0	0	108.2
1610	N	30.7	Very low	31.3	Very low	143 Å²	143	117 Å²	117	77%	0.765	78%	0.776	S	S	*	*				-166.1	177.1	54	-152.1	15.6	0	0	0	114.2
1611	E	30.5	Very low	31.2	Very low	165 Å²	165	115.8 Å²	115.8	77%	0.771	78%	0.777	S	S	*	*			trans	-83.2	166	-163.2	-43.5	169.6	104.9	0	0	118.6
1612	R	30.8	Very low	31.2	Very low	215 Å²	215	116.2 Å²	116.2	81%	0.811	78%	0.78	S	S	*	*				-176.8	132.7	109	-101.7	-173.2	163.8	-156.5	-4.5	118
1613	I	32.2	Very low	31.3	Very low	148 Å²	148	116.6 Å²	116.6	76%	0.759	78%	0.778	S	S	*	*			trans	78.1	125	141.3	-64	168.2	0	0	0	121.8
1614	G	33.3	Very low	31.1	Very low	79 Å²	79	120.1 Å²	120.1	81%	0.814	78%	0.782	S	S	*	*			trans	94.8	125.4	159.1	0	0	0	0	0	115.6
1615	G	31.9	Very low	31.3	Very low	87 Å²	87	116.9 Å²	116.9	90%	0.897	78%	0.776	S	S	*	*			cis	120.9	131.2	2.1	0	0	0	0	0	111.9
1616	G	32.4	Very low	31.4	Very low	82 Å²	82	118.3 Å²	118.3	85%	0.845	78%	0.777	S	S	*	*			cis	177.6	164	-5.9	0	0	0	0	0	112.7
1617	G	31.8	Very low	30.7	Very low	87 Å²	87	116.2 Å²	116.2	90%	0.897	78%	0.776	S	S	*	*			trans	93.2	145.6	-177.2	0	0	0	0	0	113.9
1618	G	30.7	Very low	30.9	Very low	88 Å²	88	119.8 Å²	119.8	91%	0.907	80%	0.795	S	S	*	*			cis	116.4	134.2	1.2	0	0	0	0	0	112.6
1619	G	30.1	Very low	31.6	Very low	79 Å²	79	117.2 Å²	117.2	81%	0.814	80%	0.795	S	S	*	*			cis	168.2	158.8	-6.8	0	0	0	0	0	112.7
1620	G	30.8	Very low	31.9	Very low	83 Å²	83	117.1 Å²	117.1	86%	0.856	80%	0.796	S	S	*	*			trans	91.9	160.5	175.5	0	0	0	0	0	115.9
1621	A	31.5	Very low	31.8	Very low	83 Å²	83	115.3 Å²	115.3	69%	0.686	80%	0.795	S	S	*	*			cis	-165.4	155.3	-7.7	0	0	0	0	0	112.7
1622	T	30.9	Very low	31.8	Very low	135 Å²	135	116.5 Å²	116.5	83%	0.828	80%	0.8	S	S	*	*			trans	60.2	153.6	149.7	46.4	0	0	0	0	121.2
1623	S	31.2	Very low	31.8	Very low	85 Å²	85	111 Å²	111	59%	0.594	80%	0.795	S	S	*	*			cis	-179.4	163	-26.6	50.4	0	0	0	0	111.7
1624	F	29.6	Very low	32	Very low	186 Å²	186	108.7 Å²	108.7	82%	0.816	79%	0.789	S	S	*	*			trans	83.5	93.1	161.4	-64	-66.9	0	0	0	122.5
1625	S	30.3	Very low	31.7	Very low	101 Å²	101	114.2 Å²	114.2	71%	0.706	79%	0.791	S	S	*	*				50.3	104.9	111.7	-51.7	0	0	0	0	123.8
1626	I	31.5	Very low	32.2	Very low	171 Å²	171	115.3 Å²	115.3	88%	0.877	78%	0.782	S	S	*	*				46.8	118.4	121.1	-56.8	171.4	0	0	0	119.9
1627	G	27	Very low	31.9	Very low	68 Å²	68	117.9 Å²	117.9	70%	0.701	78%	0.781	S	S	*	*			trans	-166.7	140.1	154.7	0	0	0	0	0	110.2
1628	T	31.8	Very low	31.7	Very low	142 Å²	142	119.5 Å²	119.5	87%	0.871	78%	0.779	S	S	*	*			trans	-105.1	123.2	-165.1	-35.3	0	0	0	0	113
1629	P	44.5	Very low	31.6	Very low	116 Å²	116	124.2 Å²	124.2	75%	0.753	78%	0.777	S	S	*	*			trans	-109.2	161.3	-174.3	39.7	-34.7	0	0	0	115.6
1630	P	37.6	Very low	31.4	Very low	116 Å²	116	125.8 Å²	125.8	75%	0.753	78%	0.775	S	S	*	*			trans	-123.8	149.3	176.8	41	-29.4	0	0	0	117.4
1631	S	27.8	Very low	31.4	Very low	105 Å²	105	128.8 Å²	128.8	73%	0.734	77%	0.771	S	S	*	*			trans	42.8	120.3	145.2	63.7	0	0	0	0	123.8
1632	H	31.2	Very low	31.2	Very low	191 Å²	191	135.5 Å²	135.5	88%	0.884	78%	0.78	S	S	*	*				-147.5	173.2	120.5	-125.7	-93.7	0	0	0	111
1633	S	29.6	Very low	31.1	Very low	99 Å²	99	135.5 Å²	135.5	69%	0.692	78%	0.775	S	S	*	*			trans	-120.1	-160.8	-163	53.3	0	0	0	0	113.5
1634	P	35.7	Very low	31	Very low	99 Å²	99	138.3 Å²	138.3	64%	0.643	78%	0.783	S	S	*	*				-131	157	-80.8	39.3	-24.1	0	0	0	116.1
1635	F	27.3	Very low	30.9	Very low	196 Å²	196	138 Å²	138	86%	0.86	78%	0.781	S	S	*	*			trans	40.3	154.8	151.4	-64.3	-59.9	0	0	0	122.8
1636	P	42.3	Very low	30.9	Very low	109 Å²	109	136.5 Å²	136.5	71%	0.708	78%	0.782	S	S	*	*			cis	-126.9	-142.5	-25.6	33.9	-10.4	0	0	0	108.9
1637	V	27.5	Very low	30.8	Very low	136 Å²	136	137.5 Å²	137.5	82%	0.824	78%	0.783	S	S	*	*			cis	-149.6	144.7	-9.4	-111.9	0	0	0	0	107.4
1638	S	27.9	Very low	31.1	Very low	121 Å²	121	140.5 Å²	140.5	85%	0.846	78%	0.78	S	S	*	*			trans	-174.7	161	140.1	-169.7	0	0	0	0	109.4
1639	E	27.6	Very low	31.2	Very low	187 Å²	187	141.8 Å²	141.8	87%	0.874	78%	0.781	S	S	*	*			trans	-76.5	132.7	172.7	-58.9	-177.3	122.6	0	0	111.6
1640	C	26.7	Very low	30.9	Very low	113 Å²	113	140.5 Å²	140.5	76%	0.764	77%	0.768	S	S	*	*			trans	-172.4	154.1	131.1	-126.1	0	0	0	0	112.1
1641	D	29.4	Very low	30.6	Very low	145 Å²	145	144.5 Å²	144.5	78%	0.775	78%	0.777	S	S	*	*			trans	41.8	102.8	158	-58.3	-47.1	0	0	0	120.7	D1643	D1641-D1643 PolarHBondContact O-N 3.17Å; D1641-D1643 VanDerWaalsContact O-N 3.09Å
1642	Y	28.4	Very low	31.1	Very low	225 Å²	225	144.6 Å²	144.6	88%	0.882	78%	0.777	S	S	*	*			trans	-68.6	95.4	158.1	-93.7	-89.3	0	0	0	110.9	L1644	Y1642-L1644 PolarHBondContact O-N 3.04Å
1643	D	27.8	Very low	31.4	Very low	134 Å²	134	141 Å²	141	72%	0.717	76%	0.76	S	S	*	*			trans	-68.9	100.7	171.1	-173.8	21.3	0	0	0	111.5	D1641 K1645	D1641-D1643 PolarHBondContact O-N 3.17Å; D1641-D1643 VanDerWaalsContact O-N 3.09Å; D1643-K1645 PolarHBondContact O-N 3.22Å; D1643-K1645 VanDerWaalsContact OD1-CB 3.3Å; D1643-K1645 WeakPolarHBondContact OD1-CB 3.32Å
1644	L	29.6	Very low	32.7	Very low	145 Å²	145	140.9 Å²	140.9	76%	0.759	75%	0.752	S	S	*	*			trans	-77.6	60.4	174.5	-98.3	76.8	0	0	0	111.4	Y1642	Y1642-L1644 PolarHBondContact O-N 3.04Å
1645	K	28.4	Very low	34.1	Very low	178 Å²	178	140.2 Å²	140.2	77%	0.774	75%	0.748	S	S	*	*			trans	-133.4	32	-177.8	-145.7	76.2	178.3	-173.9	0	115.3	D1643	D1643-K1645 PolarHBondContact O-N 3.22Å; D1643-K1645 VanDerWaalsContact OD1-CB 3.3Å; D1643-K1645 WeakPolarHBondContact OD1-CB 3.32Å
1646	G	29.3	Very low	35.8	Very low	70 Å²	70	135.2 Å²	135.2	72%	0.722	73%	0.727	S	S	*	*	S	Bend	trans	-153.4	20.8	-176.6	0	0	0	0	0	118.5
1647	Q	28.7	Very low	36.5	Very low	192 Å²	192	132.2 Å²	132.2	90%	0.897	71%	0.707	S	S	*	*	S	Bend	trans	-158.2	45.7	178.7	-143	160.9	89.9	0	0	117.5
1648	M	34.8	Very low	38.3	Very low	131 Å²	131	129.3 Å²	129.3	65%	0.645	69%	0.686	S	S	*	*			trans	-143.4	76.6	164.4	-78.8	-172.1	69.8	0	0	111.7	L1650	M1648-L1650 HydrophobicContact CE-CB 4.44Å; M1648-L1650 HydrophobicContact CE-CD1 3.64Å; M1648-L1650 PolarHBondContact O-N 2.9Å
1649	D	32.6	Very low	40.3	Very low	169 Å²	169	129.5 Å²	129.5	90%	0.904	67%	0.674	S	S	*	*			trans	-73.7	83.6	158.8	-73	-26.3	0	0	0	108.6
1650	L	39.6	Very low	42.4	Very low	89 Å²	89	124.7 Å²	124.7	47%	0.466	65%	0.652	S	S	.	*			trans	-133.2	56.5	177.8	-87.7	165.6	0	0	0	110.3	M1648 S1652	M1648-L1650 HydrophobicContact CE-CB 4.44Å; M1648-L1650 HydrophobicContact CE-CD1 3.64Å; M1648-L1650 PolarHBondContact O-N 2.9Å; L1650-S1652 PolarHBondContact O-N 3.38Å
1651	E	30.9	Very low	44.4	Very low	201 Å²	201	123.1 Å²	123.1	94%	0.939	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	52.4	174	-62.8	-164.7	132.7	0	0	112.9
1652	S	37	Very low	46.6	Very low	106 Å²	106	120.5 Å²	120.5	74%	0.741	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.7	8	175.1	72.8	0	0	0	0	117.2	L1650	L1650-S1652 PolarHBondContact O-N 3.38Å
1653	E	38.5	Very low	49	Very low	115 Å²	115	116.4 Å²	116.4	54%	0.537	61%	0.607	S	S	.	*	S	Bend	trans	-119	153.4	-179.5	-65.5	-159.7	132	0	0	113.6
1654	D	57.8	Low	51.2	Low	97 Å²	97	114.9 Å²	114.9	52%	0.519	60%	0.596	S	S	.	*			trans	-73.3	132.7	-167.3	-150.6	-52.3	0	0	0	112	E1656 V1657 I1658	D1654-E1656 PolarHBondContact O-N 2.96Å; D1654-E1656 VanDerWaalsContact O-N 3.15Å; D1654-V1657 HydrophobicContact CB-CG2 4.22Å; D1654-V1657 WeakPolarHBondContact O-CB 3.29Å; D1654-V1657 PolarHBondContact O-N 2.9Å; D1654-I1658 PolarHBondContact O-N 3.07Å
1655	P	63.3	Low	53.2	Low	85 Å²	85	116 Å²	116	55%	0.552	59%	0.59	S	S	*	*	H	α-helix	trans	-57	-27.3	-178.4	18.9	-33.7	0	0	0	115.4	I1658 Q1659	P1655-I1658 PolarHBondContact O-N 3.13Å; P1655-Q1659 WeakPolarHBondContact O-CG 3.26Å; P1655-Q1659 PolarHBondContact O-N 2.97Å
1656	E	62.9	Low	55.6	Low	91 Å²	91	113.3 Å²	113.3	43%	0.425	58%	0.581	S	S	.	*	H	α-helix	trans	-68.7	-40.2	174.7	-67.1	-163.2	109.8	0	0	111.7	E938 D1654 I1658 Q1659 M1660	E938-E1656 HydrophobicContact CG-CB 4.28Å; E938-E1656 WeakPolarHBondContact OE1-CB 3.27Å; D1654-E1656 PolarHBondContact O-N 2.96Å; D1654-E1656 VanDerWaalsContact O-N 3.15Å; E1656-I1658 VanDerWaalsContact C-N 3.33Å; E1656-I1658 PolarHBondContact O-N 3.47Å; E1656-Q1659 CarbonylContact O-C 3.6Å; E1656-Q1659 PolarHBondContact O-N 3.32Å; E1656-M1660 WeakPolarHBondContact O-CB 3.39Å; E1656-M1660 PolarHBondContact O-N 2.81Å
1657	V	59	Low	58.1	Low	46 Å²	46	115.2 Å²	115.2	28%	0.279	57%	0.572	S	S	.	*	H	α-helix	trans	-62.5	-40.6	174.2	178.6	0	0	0	0	111	D1654 M1660 I1661	D1654-V1657 HydrophobicContact CB-CG2 4.22Å; D1654-V1657 WeakPolarHBondContact O-CB 3.29Å; D1654-V1657 PolarHBondContact O-N 2.9Å; V1657-M1660 PolarHBondContact O-N 2.81Å; V1657-I1661 HydrophobicContact CG1-CD1 3.99Å; V1657-I1661 WeakPolarHBondContact O-CG1 3.37Å; V1657-I1661 PolarHBondContact O-N 2.92Å
1658	I	64.4	Low	60.2	Low	75 Å²	75	110.4 Å²	110.4	39%	0.385	55%	0.549	S	S	.	.	H	α-helix	trans	-62.3	-44.7	174.9	-61.6	175.3	0	0	0	110.5	D1654 P1655 E1656 M1660 I1661 V1662	D1654-I1658 PolarHBondContact O-N 3.07Å; P1655-I1658 PolarHBondContact O-N 3.13Å; E1656-I1658 VanDerWaalsContact C-N 3.33Å; E1656-I1658 PolarHBondContact O-N 3.47Å; I1658-M1660 PolarHBondContact O-N 3.17Å; I1658-I1661 PolarHBondContact O-N 2.85Å; I1658-V1662 WeakPolarHBondContact O-CG2 3.29Å; I1658-V1662 PolarHBondContact O-N 2.68Å
1659	Q	69.9	Low	62.3	Low	126 Å²	126	110.1 Å²	110.1	59%	0.589	55%	0.546	S	S	*	.	H	α-helix	trans	-65.3	-36.5	175.1	-73.4	-167.9	34.9	0	0	113.1	P1655 E1656 V1662 R1663	P1655-Q1659 WeakPolarHBondContact O-CG 3.26Å; P1655-Q1659 PolarHBondContact O-N 2.97Å; E1656-Q1659 CarbonylContact O-C 3.6Å; E1656-Q1659 PolarHBondContact O-N 3.32Å; Q1659-V1662 PolarHBondContact O-N 3.06Å; Q1659-R1663 WeakPolarHBondContact O-CB 3.49Å; Q1659-R1663 PolarHBondContact O-N 2.65Å
1660	M	72.5	Confident	64.7	Low	86 Å²	86	109.9 Å²	109.9	42%	0.424	54%	0.537	S	S	.	.	H	α-helix	trans	-64.2	-42.7	174.8	174.2	164.2	44.8	0	0	111.5	E1656 V1657 I1658 R1663 H1664	E1656-M1660 WeakPolarHBondContact O-CB 3.39Å; E1656-M1660 PolarHBondContact O-N 2.81Å; V1657-M1660 PolarHBondContact O-N 2.81Å; I1658-M1660 PolarHBondContact O-N 3.17Å; M1660-R1663 PolarHBondContact O-N 2.67Å; M1660-H1664 WeakPolarHBondContact O-CB 3.4Å; M1660-H1664 PolarHBondContact O-N 2.78Å
1661	I	68.6	Low	66.6	Low	80 Å²	80	110.2 Å²	110.2	41%	0.41	54%	0.538	S	S	.	.	H	α-helix	trans	-63.5	-42.7	174.7	-69.5	166.6	0	0	0	111	V1657 I1658 R1665	V1657-I1661 HydrophobicContact CG1-CD1 3.99Å; V1657-I1661 WeakPolarHBondContact O-CG1 3.37Å; V1657-I1661 PolarHBondContact O-N 2.92Å; I1658-I1661 PolarHBondContact O-N 2.85Å; I1661-R1665 WeakPolarHBondContact O-CB 3.38Å; I1661-R1665 WeakPolarHBondContact O-CG 3.37Å; I1661-R1665 PolarHBondContact O-N 2.92Å
1662	V	75	Confident	68.7	Low	89 Å²	89	105.7 Å²	105.7	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-46.9	176.2	169.5	0	0	0	0	111.4	I1658 Q1659 H1664 R1665 M1666	I1658-V1662 WeakPolarHBondContact O-CG2 3.29Å; I1658-V1662 PolarHBondContact O-N 2.68Å; Q1659-V1662 PolarHBondContact O-N 3.06Å; V1662-H1664 PolarHBondContact O-N 3.29Å; V1662-R1665 PolarHBondContact O-N 3.32Å; V1662-M1666 WeakPolarHBondContact O-CB 3.46Å; V1662-M1666 PolarHBondContact O-N 3.48Å
1663	R	78	Confident	70.8	Confident	139 Å²	139	104 Å²	104	53%	0.525	50%	0.5	S	S	.	.	H	α-helix	trans	-59.7	-46.2	176.5	-177.1	179.2	-74.7	124.5	-3.3	111	Q1659 M1660 M1666 E1667	Q1659-R1663 WeakPolarHBondContact O-CB 3.49Å; Q1659-R1663 PolarHBondContact O-N 2.65Å; M1660-R1663 PolarHBondContact O-N 2.67Å; R1663-M1666 PolarHBondContact O-N 2.72Å; R1663-E1667 WeakPolarHBondContact O-CG 3.43Å; R1663-E1667 PolarHBondContact O-N 3.28Å
1664	H	74.5	Confident	73	Confident	103 Å²	103	105.8 Å²	105.8	48%	0.477	51%	0.507	S	S	.	.	H	α-helix	trans	-66.5	-39.5	179	-167.2	65.8	0	0	0	112.6	M1660 V1662 M1666 E1667 Q1668	M1660-H1664 WeakPolarHBondContact O-CB 3.4Å; M1660-H1664 PolarHBondContact O-N 2.78Å; V1662-H1664 PolarHBondContact O-N 3.29Å; H1664-M1666 VanDerWaalsContact C-N 3.34Å; H1664-M1666 PolarHBondContact O-N 2.84Å; H1664-E1667 PolarHBondContact O-N 2.92Å; H1664-Q1668 PolarHBondContact NE2-NE2 2.9Å; H1664-Q1668 VanDerWaalsContact NE2-NE2 3.19Å; H1664-Q1668 WeakPolarHBondContact O-CB 3.22Å; H1664-Q1668 VanDerWaalsContact O-CG 3.23Å; H1664-Q1668 WeakPolarHBondContact O-CG 3.23Å; H1664-Q1668 PolarHBondContact O-N 3.36Å
1665	R	72.2	Confident	74.1	Confident	168 Å²	168	106.4 Å²	106.4	63%	0.634	51%	0.506	S	S	*	.	H	α-helix	trans	-61.6	-41.5	171.7	-77.4	-172.8	-172.3	-175.3	7.7	112	I1661 V1662 Q1668 H1669	I1661-R1665 WeakPolarHBondContact O-CB 3.38Å; I1661-R1665 WeakPolarHBondContact O-CG 3.37Å; I1661-R1665 PolarHBondContact O-N 2.92Å; V1662-R1665 PolarHBondContact O-N 3.32Å; R1665-Q1668 PolarHBondContact O-N 3.36Å; R1665-H1669 WeakPolarHBondContact O-CB 3.16Å; R1665-H1669 PolarHBondContact O-N 2.91Å
1666	M	77.7	Confident	75.2	Confident	122 Å²	122	109.8 Å²	109.8	60%	0.601	51%	0.508	S	S	*	.	H	α-helix	trans	-66.2	-38.6	178.2	-176	172.3	56.5	0	0	111.8	V1662 R1663 H1664 H1669 K1670	V1662-M1666 WeakPolarHBondContact O-CB 3.46Å; V1662-M1666 PolarHBondContact O-N 3.48Å; R1663-M1666 PolarHBondContact O-N 2.72Å; H1664-M1666 VanDerWaalsContact C-N 3.34Å; H1664-M1666 PolarHBondContact O-N 2.84Å; M1666-H1669 PolarHBondContact O-N 2.79Å; M1666-K1670 VanDerWaalsContact O-CB 3.27Å; M1666-K1670 WeakPolarHBondContact O-CB 3.35Å; M1666-K1670 PolarHBondContact O-N 2.7Å
1667	E	83.2	Confident	75.9	Confident	110 Å²	110	109.4 Å²	109.4	51%	0.514	51%	0.512	S	S	.	.	H	α-helix	trans	-65.8	-43.6	173	-74.3	170.6	-175.4	0	0	112.3	R1663 H1664 K1670 L1671	R1663-E1667 WeakPolarHBondContact O-CG 3.43Å; R1663-E1667 PolarHBondContact O-N 3.28Å; H1664-E1667 PolarHBondContact O-N 2.92Å; E1667-K1670 PolarHBondContact O-N 3.19Å; E1667-L1671 WeakPolarHBondContact O-CB 3.5Å; E1667-L1671 PolarHBondContact O-N 2.88Å
1668	Q	72	Confident	76.8	Confident	91 Å²	91	111.5 Å²	111.5	43%	0.425	52%	0.518	S	S	.	.	H	α-helix	trans	-59.3	-46.2	173.1	-70.4	-74.6	-10.8	0	0	111.3	H1664 R1665 K1670 L1671 L1672	H1664-Q1668 PolarHBondContact NE2-NE2 2.9Å; H1664-Q1668 VanDerWaalsContact NE2-NE2 3.19Å; H1664-Q1668 WeakPolarHBondContact O-CB 3.22Å; H1664-Q1668 VanDerWaalsContact O-CG 3.23Å; H1664-Q1668 WeakPolarHBondContact O-CG 3.23Å; H1664-Q1668 PolarHBondContact O-N 3.36Å; R1665-Q1668 PolarHBondContact O-N 3.36Å; Q1668-K1670 VanDerWaalsContact C-N 3.33Å; Q1668-K1670 PolarHBondContact O-N 3.39Å; Q1668-L1671 PolarHBondContact O-N 2.73Å; Q1668-L1672 WeakPolarHBondContact O-CB 3.42Å; Q1668-L1672 WeakPolarHBondContact O-CG 3.49Å; Q1668-L1672 PolarHBondContact O-N 3.11Å
1669	H	78.1	Confident	77.2	Confident	124 Å²	124	112 Å²	112	57%	0.574	52%	0.521	S	S	*	.	H	α-helix	trans	-63.9	-37.9	176.8	-163.3	-51.2	0	0	0	111.9	R1665 M1666 L1671 L1672 E1673	R1665-H1669 WeakPolarHBondContact O-CB 3.16Å; R1665-H1669 PolarHBondContact O-N 2.91Å; M1666-H1669 PolarHBondContact O-N 2.79Å; H1669-L1671 VanDerWaalsContact C-N 3.34Å; H1669-L1672 PolarHBondContact O-N 2.76Å; H1669-E1673 VanDerWaalsContact O-CB 3.3Å; H1669-E1673 WeakPolarHBondContact O-CB 3.5Å; H1669-E1673 PolarHBondContact O-N 2.88Å
1670	K	83.8	Confident	77.2	Confident	164 Å²	164	110.4 Å²	110.4	71%	0.713	51%	0.514	S	S	*	.	H	α-helix	trans	-70.4	-30.3	177.7	-161.9	167.3	-170.8	170.3	0	112.4	M1666 E1667 Q1668 K1674	M1666-K1670 VanDerWaalsContact O-CB 3.27Å; M1666-K1670 WeakPolarHBondContact O-CB 3.35Å; M1666-K1670 PolarHBondContact O-N 2.7Å; E1667-K1670 PolarHBondContact O-N 3.19Å; Q1668-K1670 VanDerWaalsContact C-N 3.33Å; Q1668-K1670 PolarHBondContact O-N 3.39Å; K1670-K1674 WeakPolarHBondContact O-CB 3.46Å; K1670-K1674 PolarHBondContact O-N 2.91Å; K1670-K1674 VanDerWaalsContact O-N 3.12Å
1671	L	79.1	Confident	77.3	Confident	96 Å²	96	112.7 Å²	112.7	50%	0.503	52%	0.518	S	S	.	.	H	α-helix	trans	-74.4	-43.3	172.3	-174.1	63.6	0	0	0	111.9	E1667 Q1668 H1669 K1674 Q1675	E1667-L1671 WeakPolarHBondContact O-CB 3.5Å; E1667-L1671 PolarHBondContact O-N 2.88Å; Q1668-L1671 PolarHBondContact O-N 2.73Å; H1669-L1671 VanDerWaalsContact C-N 3.34Å; L1671-K1674 PolarHBondContact O-N 3.36Å; L1671-Q1675 WeakPolarHBondContact O-CG 3.42Å; L1671-Q1675 PolarHBondContact O-N 3.31Å
1672	L	75.8	Confident	77.3	Confident	106 Å²	106	113 Å²	113	56%	0.555	52%	0.519	S	S	*	.	H	α-helix	trans	-62.5	-43.2	174.7	-75.3	168.5	0	0	0	111.8	Q1668 H1669 K1674 Q1675 R1676	Q1668-L1672 WeakPolarHBondContact O-CB 3.42Å; Q1668-L1672 WeakPolarHBondContact O-CG 3.49Å; Q1668-L1672 PolarHBondContact O-N 3.11Å; H1669-L1672 PolarHBondContact O-N 2.76Å; L1672-K1674 VanDerWaalsContact C-N 3.34Å; L1672-Q1675 CarbonylContact O-C 3.42Å; L1672-Q1675 PolarHBondContact O-N 2.99Å; L1672-R1676 WeakPolarHBondContact O-CB 3.36Å; L1672-R1676 PolarHBondContact O-N 3.5Å
1673	E	81.4	Confident	76.5	Confident	70 Å²	70	116 Å²	116	33%	0.327	52%	0.521	S	S	.	.	H	α-helix	trans	-67.5	-36.3	176.5	-166	56.7	-139.8	0	0	111.2	H1669 Q1675 R1676 V1677	H1669-E1673 VanDerWaalsContact O-CB 3.3Å; H1669-E1673 WeakPolarHBondContact O-CB 3.5Å; H1669-E1673 PolarHBondContact O-N 2.88Å; E1673-Q1675 VanDerWaalsContact C-N 3.35Å; E1673-Q1675 PolarHBondContact O-N 3.03Å; E1673-R1676 WeakPolarHBondContact O-CB 3.44Å; E1673-R1676 PolarHBondContact O-N 2.95Å; E1673-R1676 WeakPolarHBondContact OE1-CD 3.41Å; E1673-R1676 IonicContact OE1-NH1 2.67Å; E1673-R1676 IonicContact OE2-NH1 3.5Å; E1673-V1677 WeakPolarHBondContact O-CB 3.37Å; E1673-V1677 WeakPolarHBondContact O-CG2 3.38Å; E1673-V1677 PolarHBondContact O-N 3.38Å
1674	K	84.2	Confident	75.1	Confident	154 Å²	154	113.4 Å²	113.4	67%	0.67	53%	0.525	S	S	*	.	H	α-helix	trans	-65.1	-36.9	172.1	-167.4	174.7	-176.6	-178.2	0	112.5	K1670 L1671 L1672 E1678	K1670-K1674 WeakPolarHBondContact O-CB 3.46Å; K1670-K1674 PolarHBondContact O-N 2.91Å; K1670-K1674 VanDerWaalsContact O-N 3.12Å; L1671-K1674 PolarHBondContact O-N 3.36Å; L1672-K1674 VanDerWaalsContact C-N 3.34Å; K1674-E1678 PolarHBondContact O-N 3.24Å
1675	Q	80.3	Confident	74.1	Confident	110 Å²	110	114.9 Å²	114.9	51%	0.514	53%	0.53	S	S	.	.	H	α-helix	trans	-67.6	-40.7	171.4	-74.4	-177.7	-5.3	0	0	111.8	L1671 L1672 E1673 E1678 I1679	L1671-Q1675 WeakPolarHBondContact O-CG 3.42Å; L1671-Q1675 PolarHBondContact O-N 3.31Å; L1672-Q1675 CarbonylContact O-C 3.42Å; L1672-Q1675 PolarHBondContact O-N 2.99Å; E1673-Q1675 VanDerWaalsContact C-N 3.35Å; E1673-Q1675 PolarHBondContact O-N 3.03Å; Q1675-E1678 PolarHBondContact O-N 3.04Å; Q1675-I1679 WeakPolarHBondContact O-CB 3.25Å; Q1675-I1679 WeakPolarHBondContact O-CD1 3.32Å; Q1675-I1679 WeakPolarHBondContact O-CG1 3.36Å; Q1675-I1679 PolarHBondContact O-N 2.88Å
1676	R	85.9	Confident	72.9	Confident	155 Å²	155	113.5 Å²	113.5	59%	0.585	53%	0.533	S	S	*	.	H	α-helix	trans	-59.8	-49.2	174.9	-175.1	-176.3	179.5	-171.7	2.2	111.1	L1672 E1673 E1678 I1679 E1680	L1672-R1676 WeakPolarHBondContact O-CB 3.36Å; L1672-R1676 PolarHBondContact O-N 3.5Å; E1673-R1676 WeakPolarHBondContact O-CB 3.44Å; E1673-R1676 PolarHBondContact O-N 2.95Å; E1673-R1676 WeakPolarHBondContact OE1-CD 3.41Å; E1673-R1676 IonicContact OE1-NH1 2.67Å; E1673-R1676 IonicContact OE2-NH1 3.5Å; R1676-E1678 PolarHBondContact O-N 3.46Å; R1676-I1679 PolarHBondContact O-N 3.47Å; R1676-E1680 WeakPolarHBondContact O-CB 3.31Å; R1676-E1680 PolarHBondContact O-N 2.9Å
1677	V	77.3	Confident	70.6	Confident	84 Å²	84	117.5 Å²	117.5	51%	0.509	54%	0.542	S	S	.	.	H	α-helix	trans	-62.3	-40.6	177.8	170.9	0	0	0	0	111.7	E1673 E1680 R1681	E1673-V1677 WeakPolarHBondContact O-CB 3.37Å; E1673-V1677 WeakPolarHBondContact O-CG2 3.38Å; E1673-V1677 PolarHBondContact O-N 3.38Å; V1677-E1680 PolarHBondContact O-N 3.27Å; V1677-R1681 WeakPolarHBondContact O-CB 3.34Å; V1677-R1681 PolarHBondContact O-N 3.07Å
1678	E	77.9	Confident	68.1	Low	89 Å²	89	118 Å²	118	42%	0.416	55%	0.552	S	S	.	*	H	α-helix	trans	-71	-35.7	176	-160.1	64.2	-138	0	0	112	K1674 Q1675 R1676 R1681 L1682	K1674-E1678 PolarHBondContact O-N 3.24Å; Q1675-E1678 PolarHBondContact O-N 3.04Å; R1676-E1678 PolarHBondContact O-N 3.46Å; E1678-R1681 CarbonylContact O-C 3.6Å; E1678-R1681 PolarHBondContact O-N 3.35Å; E1678-R1681 WeakPolarHBondContact OE1-CD 3.37Å; E1678-R1681 IonicContact OE1-NE 3.56Å; E1678-R1681 PolarHBondContact OE1-NE 3.16Å; E1678-L1682 HydrophobicContact CG-CD1 4.46Å; E1678-L1682 WeakPolarHBondContact O-CB 2.98Å; E1678-L1682 VanDerWaalsContact O-CG 3.24Å; E1678-L1682 WeakPolarHBondContact O-CG 3.28Å; E1678-L1682 PolarHBondContact O-N 3.35Å
1679	I	73.3	Confident	66.2	Low	86 Å²	86	118.8 Å²	118.8	44%	0.441	57%	0.565	S	S	.	*	H	α-helix	trans	-64.9	-40	172.6	-72.1	165.3	0	0	0	110.9	Q1675 R1676 L1682 R1683	Q1675-I1679 WeakPolarHBondContact O-CB 3.25Å; Q1675-I1679 WeakPolarHBondContact O-CD1 3.32Å; Q1675-I1679 WeakPolarHBondContact O-CG1 3.36Å; Q1675-I1679 PolarHBondContact O-N 2.88Å; R1676-I1679 PolarHBondContact O-N 3.47Å; I1679-L1682 PolarHBondContact O-N 3.03Å; I1679-R1683 HydrophobicContact CG2-CG 4.47Å; I1679-R1683 WeakPolarHBondContact O-CB 3.49Å; I1679-R1683 VanDerWaalsContact O-CG 3.27Å; I1679-R1683 WeakPolarHBondContact O-CG 3.47Å; I1679-R1683 PolarHBondContact O-N 2.88Å
1680	E	70.8	Confident	63.8	Low	93 Å²	93	123.3 Å²	123.3	44%	0.435	58%	0.577	S	S	.	*	H	α-helix	trans	-72	-33	176.6	-144.5	61.5	-109.6	0	0	111.7	R1676 V1677 L1682 R1683 S1684	R1676-E1680 WeakPolarHBondContact O-CB 3.31Å; R1676-E1680 PolarHBondContact O-N 2.9Å; V1677-E1680 PolarHBondContact O-N 3.27Å; E1680-L1682 VanDerWaalsContact C-N 3.34Å; E1680-R1683 PolarHBondContact O-N 3.27Å; E1680-R1683 WeakPolarHBondContact OE1-CD 3.13Å; E1680-S1684 WeakPolarHBondContact O-CB 3.42Å; E1680-S1684 PolarHBondContact O-N 3.3Å; E1680-S1684 PolarHBondContact O-OG 3.13Å
1681	R	74.4	Confident	61.1	Low	133 Å²	133	119.4 Å²	119.4	50%	0.502	58%	0.575	S	S	.	*	H	α-helix	trans	-68	-29.2	170.3	177.3	173.2	167.5	81.4	-5.6	113	V1677 E1678 S1684 K1685	V1677-R1681 WeakPolarHBondContact O-CB 3.34Å; V1677-R1681 PolarHBondContact O-N 3.07Å; E1678-R1681 CarbonylContact O-C 3.6Å; E1678-R1681 PolarHBondContact O-N 3.35Å; E1678-R1681 WeakPolarHBondContact OE1-CD 3.37Å; E1678-R1681 IonicContact OE1-NE 3.56Å; E1678-R1681 PolarHBondContact OE1-NE 3.16Å; R1681-S1684 WeakPolarHBondContact CA-OG 3.29Å; R1681-S1684 PolarHBondContact O-OG 3.38Å; R1681-K1685 VanDerWaalsContact O-CG 3.31Å; R1681-K1685 WeakPolarHBondContact O-CG 3.23Å; R1681-K1685 PolarHBondContact O-N 3.18Å
1682	L	67.5	Low	58.7	Low	86 Å²	86	121.3 Å²	121.3	45%	0.45	59%	0.591	S	S	.	*	H	α-helix	trans	-80.6	-39.2	171.5	-71.9	165.8	0	0	0	111.2	E1678 I1679 E1680 K1685 I1686	E1678-L1682 HydrophobicContact CG-CD1 4.46Å; E1678-L1682 WeakPolarHBondContact O-CB 2.98Å; E1678-L1682 VanDerWaalsContact O-CG 3.24Å; E1678-L1682 WeakPolarHBondContact O-CG 3.28Å; E1678-L1682 PolarHBondContact O-N 3.35Å; I1679-L1682 PolarHBondContact O-N 3.03Å; E1680-L1682 VanDerWaalsContact C-N 3.34Å; L1682-K1685 PolarHBondContact O-N 2.87Å; L1682-I1686 WeakPolarHBondContact O-CB 3.48Å; L1682-I1686 VanDerWaalsContact O-CG1 3.31Å; L1682-I1686 WeakPolarHBondContact O-CG1 3.32Å; L1682-I1686 PolarHBondContact O-N 3.07Å
1683	R	59.4	Low	56.4	Low	153 Å²	153	121.5 Å²	121.5	58%	0.577	60%	0.601	S	S	*	*	H	α-helix	trans	-64.1	-41.6	174.3	-77.3	172.5	169	-163.2	-5.1	112.8	I1679 E1680 K1685 I1686 R1687	I1679-R1683 HydrophobicContact CG2-CG 4.47Å; I1679-R1683 WeakPolarHBondContact O-CB 3.49Å; I1679-R1683 VanDerWaalsContact O-CG 3.27Å; I1679-R1683 WeakPolarHBondContact O-CG 3.47Å; I1679-R1683 PolarHBondContact O-N 2.88Å; E1680-R1683 PolarHBondContact O-N 3.27Å; E1680-R1683 WeakPolarHBondContact OE1-CD 3.13Å; R1683-K1685 VanDerWaalsContact C-N 3.27Å; R1683-K1685 PolarHBondContact O-N 3.5Å; R1683-I1686 PolarHBondContact O-N 3.01Å; R1683-I1686 VanDerWaalsContact O-N 3.16Å; R1683-R1687 WeakPolarHBondContact O-CB 3.33Å; R1683-R1687 PolarHBondContact O-N 2.97Å
1684	S	47.4	Very low	54	Low	85 Å²	85	124.6 Å²	124.6	59%	0.594	63%	0.625	S	S	*	*	H	α-helix	trans	-68.6	-22.4	173.7	49.5	0	0	0	0	113.5	E1680 R1681	E1680-S1684 WeakPolarHBondContact O-CB 3.42Å; E1680-S1684 PolarHBondContact O-N 3.3Å; E1680-S1684 PolarHBondContact O-OG 3.13Å; R1681-S1684 WeakPolarHBondContact CA-OG 3.29Å; R1681-S1684 PolarHBondContact O-OG 3.38Å
1685	K	53.9	Low	51.5	Low	134 Å²	134	123 Å²	123	58%	0.583	62%	0.624	S	S	*	*	H	α-helix	trans	-80.7	-25.3	168	-77.5	177	173.6	-172.3	0	114.3	R1681 L1682 R1683	R1681-K1685 VanDerWaalsContact O-CG 3.31Å; R1681-K1685 WeakPolarHBondContact O-CG 3.23Å; R1681-K1685 PolarHBondContact O-N 3.18Å; L1682-K1685 PolarHBondContact O-N 2.87Å; R1683-K1685 VanDerWaalsContact C-N 3.27Å; R1683-K1685 PolarHBondContact O-N 3.5Å
1686	I	46.5	Very low	49.4	Very low	139 Å²	139	123 Å²	123	71%	0.713	63%	0.633	S	S	*	*	H	α-helix	trans	-94.2	-25.1	-178.5	-69.5	167.6	0	0	0	111.7	L1682 R1683 V1688	L1682-I1686 WeakPolarHBondContact O-CB 3.48Å; L1682-I1686 VanDerWaalsContact O-CG1 3.31Å; L1682-I1686 WeakPolarHBondContact O-CG1 3.32Å; L1682-I1686 PolarHBondContact O-N 3.07Å; R1683-I1686 PolarHBondContact O-N 3.01Å; R1683-I1686 VanDerWaalsContact O-N 3.16Å; I1686-V1688 VanDerWaalsContact C-N 3.32Å; I1686-V1688 PolarHBondContact O-N 3.18Å
1687	R	31.2	Very low	46.6	Very low	205 Å²	205	122.8 Å²	122.8	77%	0.774	64%	0.638	S	S	*	*			trans	-79.6	79	172.8	-176.9	173.3	-90	170	-9.7	110.5	R1683 P1689	R1683-R1687 WeakPolarHBondContact O-CB 3.33Å; R1683-R1687 PolarHBondContact O-N 2.97Å; R1687-P1689 WeakPolarHBondContact O-CD 3.46Å
1688	V	29.1	Very low	44.4	Very low	121 Å²	121	125.3 Å²	125.3	73%	0.733	65%	0.647	S	S	*	*			trans	-90.1	106.2	155.7	178.1	0	0	0	0	107.5	I1686	I1686-V1688 VanDerWaalsContact C-N 3.32Å; I1686-V1688 PolarHBondContact O-N 3.18Å
1689	P	33.7	Very low	42.4	Very low	108 Å²	108	127.6 Å²	127.6	70%	0.701	66%	0.66	S	S	*	*			trans	-82.3	123.6	175.2	32.3	-31.1	0	0	0	110.1	R1687	R1687-P1689 WeakPolarHBondContact O-CD 3.46Å
1690	R	26.8	Very low	40.4	Very low	219 Å²	219	126.2 Å²	126.2	83%	0.826	67%	0.667	S	S	*	*			trans	-119.8	139.2	162.7	-169.5	170.2	-177.3	138.6	1.2	107.9
1691	A	26.4	Very low	38.7	Very low	82 Å²	82	128.4 Å²	128.4	68%	0.678	68%	0.682	S	S	*	*			trans	72.5	129.3	-160.3	0	0	0	0	0	113.5
1692	T	29.9	Very low	37.1	Very low	135 Å²	135	129 Å²	129	83%	0.828	70%	0.695	S	S	*	*			cis	-152.9	139.3	-9.1	-0.2	0	0	0	0	110.1
1693	S	27.2	Very low	35.6	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	71%	0.713	S	S	*	*			trans	-79.6	123.7	155.7	-179.8	0	0	0	0	107.8
1694	V	30.4	Very low	34.3	Very low	135 Å²	135	130.2 Å²	130.2	82%	0.818	72%	0.72	S	S	*	*				-150.6	141.4	99.7	-142.4	0	0	0	0	108.6
1695	N	32	Very low	33.4	Very low	122 Å²	122	133.3 Å²	133.3	65%	0.652	73%	0.73	S	S	*	*			trans	-108.2	149	159.7	-143.7	37.3	0	0	0	106.5
1696	P	35.8	Very low	32.3	Very low	108 Å²	108	132.1 Å²	132.1	70%	0.701	73%	0.734	S	S	*	*				-136.1	160.3	89.8	39.8	-26	0	0	0	111
1697	E	28.6	Very low	31.5	Very low	151 Å²	151	130.6 Å²	130.6	71%	0.706	73%	0.731	S	S	*	*				54	136.6	59.5	-70.4	-168	100.7	0	0	112.6
1698	M	30.8	Very low	31.5	Very low	138 Å²	138	128.6 Å²	128.6	68%	0.68	74%	0.735	S	S	*	*			cis	-162.8	177.4	-0.7	-123	-85.7	-83.2	0	0	109.4
1699	I	35.1	Very low	31.7	Very low	137 Å²	137	128.2 Å²	128.2	70%	0.703	73%	0.733	S	S	*	*			trans	71	133.7	169.7	-52	124.3	0	0	0	114.7
1700	G	32.3	Very low	31.4	Very low	57 Å²	57	127.9 Å²	127.9	59%	0.588	74%	0.739	S	S	*	*			cis	161.6	177.8	-6	0	0	0	0	0	113
1701	D	35.1	Very low	31.7	Very low	139 Å²	139	124 Å²	124	74%	0.743	73%	0.734	S	S	*	*			trans	67.6	135.3	154	-40.5	-30.1	0	0	0	116.3
1702	D	39.4	Very low	31.7	Very low	145 Å²	145	129.7 Å²	129.7	78%	0.775	75%	0.747	S	S	*	*			cis	-132	166.1	14	-91	-53.3	0	0	0	114.2
1703	E	37.8	Very low	31.7	Very low	177 Å²	177	128.2 Å²	128.2	83%	0.827	74%	0.742	S	S	*	*			trans	4.5	122.7	161.3	-55.2	-171.4	125.6	0	0	118.5
1704	A	30.6	Very low	31.8	Very low	88 Å²	88	127.2 Å²	127.2	73%	0.727	74%	0.741	S	S	*	*			cis	71.4	141.7	33.4	0	0	0	0	0	116.2
1705	D	29.3	Very low	31.7	Very low	149 Å²	149	129.3 Å²	129.3	80%	0.797	75%	0.746	S	S	*	*			trans	62.8	159.6	166.2	-83.6	-19	0	0	0	119.6
1706	T	31.3	Very low	31.6	Very low	109 Å²	109	126.9 Å²	126.9	67%	0.669	75%	0.75	S	S	*	*			cis	-136.1	144.8	-0.7	-7.1	0	0	0	0	112.3
1707	T	28.3	Very low	31.5	Very low	107 Å²	107	129.7 Å²	129.7	66%	0.656	76%	0.759	S	S	*	*			trans	4.9	148.9	144.4	63	0	0	0	0	121.2
1708	L	31.3	Very low	31.9	Very low	164 Å²	164	126.5 Å²	126.5	86%	0.859	76%	0.758	S	S	*	*				-167.7	131.9	101.7	-106.1	167.6	0	0	0	116.4
1709	T	33.8	Very low	32	Very low	113 Å²	113	125 Å²	125	69%	0.693	76%	0.762	S	S	*	*			trans	-70.5	134.8	162.9	-52.3	0	0	0	0	110.7
1710	A	27.8	Very low	31.9	Very low	100 Å²	100	125.7 Å²	125.7	83%	0.826	77%	0.766	S	S	*	*			trans	-130.4	77.8	170.5	0	0	0	0	0	109.8
1711	L	31.7	Very low	31.9	Very low	139 Å²	139	127.4 Å²	127.4	73%	0.728	77%	0.769	S	S	*	*				44.2	93.9	87.5	-78.8	166.8	0	0	0	114.1
1712	Q	28.4	Very low	31.8	Very low	201 Å²	201	128.7 Å²	128.7	94%	0.939	78%	0.775	S	S	*	*	S	Bend	trans	-99.8	114.4	136	-88.7	178	-11.7	0	0	106
1713	S	29.4	Very low	31.9	Very low	103 Å²	103	127.6 Å²	127.6	72%	0.72	78%	0.776	S	S	*	*	S	Bend	cis	-138.6	162.2	42.6	48.9	0	0	0	0	115
1714	A	28.5	Very low	31.7	Very low	90 Å²	90	123.5 Å²	123.5	74%	0.744	77%	0.772	S	S	*	*	S	Bend	trans	74.7	110.9	170.5	0	0	0	0	0	119.3
1715	L	28.3	Very low	31.6	Very low	179 Å²	179	124.9 Å²	124.9	94%	0.937	78%	0.776	S	S	*	*			trans	76.6	84.6	147.2	-60.6	164.7	0	0	0	120.7
1716	G	30.2	Very low	32.9	Very low	70 Å²	70	123.6 Å²	123.6	72%	0.722	78%	0.776	S	S	*	*				118.7	97.5	120.5	0	0	0	0	0	120.8
1717	N	34.8	Very low	33.5	Very low	168 Å²	168	124 Å²	124	90%	0.898	78%	0.78	S	S	*	*			trans	34.9	139.2	135.1	-56.5	0.1	0	0	0	122
1718	A	35.1	Very low	33.8	Very low	84 Å²	84	124.6 Å²	124.6	69%	0.694	79%	0.786	S	S	*	*			cis	-174.8	158.5	-6.8	0	0	0	0	0	112.9
1719	S	33	Very low	33.8	Very low	107 Å²	107	124.1 Å²	124.1	75%	0.748	78%	0.784	S	S	*	*			trans	68.6	145.5	152.1	-60.9	0	0	0	0	120.7
1720	L	34.4	Very low	33.8	Very low	151 Å²	151	123.7 Å²	123.7	79%	0.791	78%	0.782	S	S	*	*			cis	-165	131.8	-4.3	-109.7	167.5	0	0	0	113.7
1721	S	32.2	Very low	34	Very low	93 Å²	93	123.2 Å²	123.2	65%	0.65	76%	0.763	S	S	*	*			trans	35.4	123.5	150.5	57.5	0	0	0	0	123.9
1722	L	32.9	Very low	34.4	Very low	165 Å²	165	121.4 Å²	121.4	86%	0.864	75%	0.753	S	S	*	*				65.3	158.4	61.1	-64.6	176.7	0	0	0	117.2
1723	P	41.1	Very low	34.9	Very low	123 Å²	123	117.8 Å²	117.8	80%	0.799	75%	0.747	S	S	*	*			cis	-139.7	-138.5	-49.5	43.5	-23.7	0	0	0	113.2
1724	A	32.5	Very low	35	Very low	90 Å²	90	117.2 Å²	117.2	74%	0.744	74%	0.735	S	S	*	*			trans	-135.7	175.5	-168.7	0	0	0	0	0	117.7
1725	S	28.6	Very low	35	Very low	117 Å²	117	117.7 Å²	117.7	82%	0.818	73%	0.726	S	S	*	*			trans	98.7	134	159.4	-57.6	0	0	0	0	122
1726	P	58.4	Low	35	Very low	122 Å²	122	118.9 Å²	118.9	79%	0.792	73%	0.726	S	S	*	*			trans	-100.6	-171.3	167.8	42.6	-36.1	0	0	0	112.1
1727	P	42.5	Very low	35	Very low	118 Å²	118	118.8 Å²	118.8	77%	0.766	73%	0.726	S	S	*	*			cis	-136.7	-146.3	10.2	46	-25.6	0	0	0	113.1
1728	P	35.2	Very low	34.7	Very low	120 Å²	120	119.2 Å²	119.2	78%	0.779	72%	0.722	S	S	*	*			cis	-114.6	169.7	-38.3	38.3	-24.8	0	0	0	113.2
1729	N	30.8	Very low	34.8	Very low	153 Å²	153	122.3 Å²	122.3	82%	0.818	72%	0.722	S	S	*	*			trans	-161.4	-162.7	-173.3	-154.4	4.1	0	0	0	116.3
1730	T	34.9	Very low	34.7	Very low	105 Å²	105	123.9 Å²	123.9	64%	0.644	72%	0.717	S	S	*	*			trans	96.8	147.5	172.5	-139.7	0	0	0	0	115.7
1731	E	30.9	Very low	34.4	Very low	90 Å²	90	119.4 Å²	119.4	42%	0.421	70%	0.698	S	S	.	*			cis	-145.3	124.9	4.5	-153.9	172.2	-29.9	0	0	105.6	S1743 F1744	E1731-S1743 WeakPolarHBondContact OE2-CA 3.42Å; E1731-F1744 PolarHBondContact OE2-N 3.3Å
1732	I	39.8	Very low	34.5	Very low	101 Å²	101	122 Å²	122	52%	0.518	71%	0.705	S	S	.	*				73.3	98.7	51.9	-57.7	175.2	0	0	0	112.1	D1734	I1732-D1734 WeakPolarHBondContact CG2-OD2 3.32Å
1733	P	39.8	Very low	34.5	Very low	125 Å²	125	118.1 Å²	118.1	81%	0.812	69%	0.691	S	S	*	*				-153.7	167.6	105.8	37.9	-20.4	0	0	0	116.4
1734	D	30.5	Very low	33.9	Very low	90 Å²	90	119.1 Å²	119.1	48%	0.481	68%	0.683	S	S	.	*			cis	-168.7	167.8	-38.3	-133.7	-52.6	0	0	0	113.1	I1732 C1741	I1732-D1734 WeakPolarHBondContact CG2-OD2 3.32Å; D1734-C1741 PolarHBondContact OD1-SG 3.17Å; D1734-C1741 PolarHBondContact OD2-SG 3.48Å
1735	N	28.9	Very low	33.5	Very low	101 Å²	101	123.5 Å²	123.5	54%	0.54	68%	0.68	S	S	.	*			trans	61.2	81.2	147.6	-160	52.9	0	0	0	123.9
1736	E	28.8	Very low	33.2	Very low	203 Å²	203	123 Å²	123	95%	0.949	68%	0.676	S	S	*	*	S	Bend		-146.9	103.1	111.6	-96.9	-137	120.7	0	0	108.2
1737	G	30.2	Very low	31.8	Very low	69 Å²	69	125.5 Å²	125.5	71%	0.711	68%	0.681	S	S	*	*	S	Bend	trans	161.5	47.4	-168.1	0	0	0	0	0	114.3
1738	Q	29	Very low	31.2	Very low	176 Å²	176	123.3 Å²	123.3	82%	0.822	68%	0.679	S	S	*	*	S	Bend	trans	53.3	103	172	-67.3	-178.6	-65.2	0	0	117.7
1739	H	35.9	Very low	30.8	Very low	150 Å²	150	125.1 Å²	125.1	69%	0.694	68%	0.682	S	S	*	*	S	Bend	trans	62.5	87.4	157.5	-59.9	-69.2	0	0	0	116.8
1740	H	31.8	Very low	31.1	Very low	140 Å²	140	123 Å²	123	65%	0.648	68%	0.677	S	S	*	*				82.3	91.7	95.4	-72.8	15	0	0	0	113.1
1741	C	27.6	Very low	30.7	Very low	56 Å²	56	124.8 Å²	124.8	38%	0.378	68%	0.683	S	S	.	*				90	148.6	64	-72.3	0	0	0	0	112.7	D1734	D1734-C1741 PolarHBondContact OD1-SG 3.17Å; D1734-C1741 PolarHBondContact OD2-SG 3.48Å
1742	N	33.8	Very low	30.7	Very low	149 Å²	149	127.5 Å²	127.5	80%	0.797	70%	0.7	S	S	*	*			trans	75.1	151.2	166.1	-64.3	-14.6	0	0	0	118.3
1743	S	33.3	Very low	30.2	Very low	83 Å²	83	129 Å²	129	58%	0.58	71%	0.709	S	S	*	*			cis	-169	147.9	-23.9	-175	0	0	0	0	111.8	E1731	E1731-S1743 WeakPolarHBondContact OE2-CA 3.42Å
1744	F	27.8	Very low	29.5	Very low	144 Å²	144	128.5 Å²	128.5	63%	0.632	70%	0.704	S	S	*	*			trans	-11.6	129.7	138.7	-103.7	-112.7	0	0	0	118.6	E1731	E1731-F1744 PolarHBondContact OE2-N 3.3Å
1745	R	24	Very low	29.3	Very low	182 Å²	182	129.3 Å²	129.3	69%	0.687	72%	0.716	S	S	*	*			trans	59.6	130.2	134.3	-87.3	-167.7	174	-166	-5.6	123.3
1746	C	24.1	Very low	29.3	Very low	106 Å²	106	131.6 Å²	131.6	72%	0.716	73%	0.727	S	S	*	*			trans	86.4	155.7	132.8	-70	0	0	0	0	121
1747	I	28	Very low	29.3	Very low	175 Å²	175	126.2 Å²	126.2	90%	0.897	71%	0.708	S	S	*	*			trans	72.1	105.2	173.2	-41.9	-177.8	0	0	0	114.5
1748	G	29.6	Very low	29.4	Very low	72 Å²	72	129.1 Å²	129.1	74%	0.742	71%	0.707	S	S	*	*			cis	174.7	174.8	-5.1	0	0	0	0	0	115.3
1749	D	27.2	Very low	29.4	Very low	157 Å²	157	127.1 Å²	127.1	84%	0.84	70%	0.698	S	S	*	*			trans	-51.2	161	154.3	-80	-64.1	0	0	0	112
1750	P	37.5	Very low	29.1	Very low	109 Å²	109	124 Å²	124	71%	0.708	69%	0.685	S	S	*	*			cis	-142	-171.7	31.8	41	-20.9	0	0	0	116.9
1751	N	26.5	Very low	29.2	Very low	143 Å²	143	126.4 Å²	126.4	77%	0.765	69%	0.694	S	S	*	*			trans	-38.8	143.7	154.3	-43.7	-80.2	0	0	0	111.9
1752	D	30.2	Very low	29.3	Very low	147 Å²	147	129.4 Å²	129.4	79%	0.786	70%	0.702	S	S	*	*				-154.9	172.8	107.1	-132.3	-36	0	0	0	114.3
1753	N	29.3	Very low	29	Very low	131 Å²	131	131.7 Å²	131.7	70%	0.701	70%	0.7	S	S	*	*			trans	-62.3	142	-168.8	-82.9	-89.5	0	0	0	116.3
1754	V	26.3	Very low	29	Very low	116 Å²	116	135 Å²	135	70%	0.703	71%	0.71	S	S	*	*				44.9	87	123	-169	0	0	0	0	116.8
1755	S	26.6	Very low	29.2	Very low	107 Å²	107	131.4 Å²	131.4	75%	0.748	71%	0.714	S	S	*	*				72.8	-174.6	121.2	-159	0	0	0	0	117.8
1756	I	28.2	Very low	29.8	Very low	148 Å²	148	129.3 Å²	129.3	76%	0.759	72%	0.715	S	S	*	*			trans	70.8	129.9	166.3	-68.7	174.6	0	0	0	116.6
1757	V	28.9	Very low	30.5	Very low	90 Å²	90	131 Å²	131	55%	0.545	72%	0.715	S	S	.	*			cis	-168.7	169	-26.7	87.1	0	0	0	0	106.5	Q1759	V1757-Q1759 HydrophobicContact CG1-CG 4.24Å
1758	N	31.3	Very low	30.9	Very low	131 Å²	131	127.5 Å²	127.5	70%	0.701	70%	0.704	S	S	*	*			trans	154.1	144.1	132.8	-81.5	-53.6	0	0	0	114
1759	Q	29.6	Very low	31.1	Very low	133 Å²	133	129.1 Å²	129.1	62%	0.621	70%	0.704	S	S	*	*			cis	-174.8	161.6	-34.6	-120.8	-174.5	16.1	0	0	110.8	V1757	V1757-Q1759 HydrophobicContact CG1-CG 4.24Å
1760	I	28.6	Very low	31.1	Very low	85 Å²	85	126 Å²	126	44%	0.436	70%	0.695	S	S	.	*			trans	55.4	103.8	144.1	-66.6	174.8	0	0	0	118.3	Q1762	I1760-Q1762 HydrophobicContact CG2-CG 4.09Å
1761	K	34	Very low	30.5	Very low	191 Å²	191	131.2 Å²	131.2	83%	0.83	70%	0.7	S	S	*	*				-155.9	129.5	92	-95.1	128.1	-166.4	174.2	0	109.4
1762	Q	29.6	Very low	30.5	Very low	118 Å²	118	132.7 Å²	132.7	55%	0.551	70%	0.702	S	S	*	*			cis	74.3	143.5	45.2	-64.2	-165.5	11.1	0	0	112.6	I1760	I1760-Q1762 HydrophobicContact CG2-CG 4.09Å
1763	R	28.9	Very low	30.3	Very low	198 Å²	198	130 Å²	130	75%	0.747	70%	0.695	S	S	*	*			cis	-168.1	174.4	23	-142.7	172.9	-164.7	-168	2.9	113.7
1764	L	32.6	Very low	30.3	Very low	152 Å²	152	128.7 Å²	128.7	80%	0.796	69%	0.692	S	S	*	*			trans	73.3	138.8	158.3	-61.2	154	0	0	0	115.6
1765	G	32.3	Very low	30.4	Very low	69 Å²	69	133.6 Å²	133.6	71%	0.711	70%	0.698	S	S	*	*			cis	-155	-157.5	-5.7	0	0	0	0	0	109.7
1766	I	37.2	Very low	30.6	Very low	137 Å²	137	132.2 Å²	132.2	70%	0.703	69%	0.688	S	S	*	*			cis	-163.7	144.8	-5.7	-132.7	164.1	0	0	0	109.1
1767	I	37.9	Very low	30.6	Very low	141 Å²	141	128 Å²	128	72%	0.723	68%	0.675	S	S	*	*			trans	27.7	139.4	137	-62.7	172.5	0	0	0	119.1
1768	P	37.7	Very low	30.6	Very low	103 Å²	103	130.9 Å²	130.9	67%	0.669	69%	0.693	S	S	*	*			cis	-140.6	-146.3	-21.8	39.2	-16	0	0	0	112
1769	S	32.3	Very low	30.6	Very low	106 Å²	106	130.1 Å²	130.1	74%	0.741	70%	0.698	S	S	*	*			trans	44.9	143.3	145.2	-64.3	0	0	0	0	121.6
1770	S	27.8	Very low	30.8	Very low	92 Å²	92	127.7 Å²	127.7	64%	0.643	70%	0.696	S	S	*	*			cis	162.5	145.4	-11	55.1	0	0	0	0	105.7
1771	R	25.6	Very low	30.7	Very low	218 Å²	218	127.2 Å²	127.2	82%	0.823	70%	0.7	S	S	*	*			trans	69.6	124.6	166.1	-59.9	-178.7	176.3	-177.3	-1.1	119.1
1772	Q	25.4	Very low	30.9	Very low	174 Å²	174	123 Å²	123	81%	0.813	69%	0.692	S	S	*	*			trans	72.3	170.7	138.3	-67.2	171.8	-66.4	0	0	119.7
1773	S	25.9	Very low	31	Very low	91 Å²	91	121.7 Å²	121.7	64%	0.636	70%	0.696	S	S	*	*			trans	-49	164.1	158.5	-130	0	0	0	0	111.1
1774	V	29.4	Very low	31.3	Very low	103 Å²	103	118.5 Å²	118.5	62%	0.624	70%	0.699	S	S	*	*			cis	-153.5	-178.4	49.3	-138.3	0	0	0	0	113
1775	R	28.3	Very low	31.8	Very low	219 Å²	219	116.4 Å²	116.4	83%	0.826	69%	0.694	S	S	*	*			trans	-37.1	158.1	149.8	-88.8	-177.1	169.3	-176.4	-3.1	112.7
1776	S	30.3	Very low	32.4	Very low	77 Å²	77	119.1 Å²	119.1	54%	0.538	70%	0.699	S	S	.	*			trans	67.9	175.5	152.4	76.5	0	0	0	0	114.2	S1780	S1776-S1780 WeakPolarHBondContact CB-O 3.38Å; S1776-S1780 PolarHBondContact OG-O 2.89Å
1777	A	28.6	Very low	32.6	Very low	60 Å²	60	118.6 Å²	118.6	50%	0.496	71%	0.708	S	S	.	*			cis	-162.1	162	15.1	0	0	0	0	0	114.2
1778	T	28.4	Very low	32.4	Very low	150 Å²	150	117 Å²	117	92%	0.92	71%	0.709	S	S	*	*	S	Bend		-141.4	108.7	108.1	52.2	0	0	0	0	108.5
1779	S	32.3	Very low	32.1	Very low	115 Å²	115	117.2 Å²	117.2	80%	0.804	71%	0.713	S	S	*	*	S	Bend	cis	-155.7	150.7	-11.7	52	0	0	0	0	107.3
1780	S	33.1	Very low	32.2	Very low	82 Å²	82	118 Å²	118	57%	0.573	72%	0.718	S	S	*	*			cis	-120.7	-157.7	17.6	66.9	0	0	0	0	110.9	S1776	S1776-S1780 WeakPolarHBondContact CB-O 3.38Å; S1776-S1780 PolarHBondContact OG-O 2.89Å
1781	S	27.7	Very low	32.5	Very low	75 Å²	75	118 Å²	118	52%	0.524	72%	0.724	S	S	.	*			cis	95	138	-10.6	-35.6	0	0	0	0	119.4
1782	P	37.2	Very low	33.3	Very low	103 Å²	103	113.5 Å²	113.5	67%	0.669	72%	0.723	S	S	*	*			cis	-142.3	-178.2	-13.4	39.5	-20.5	0	0	0	118.2
1783	S	31.9	Very low	34.4	Very low	91 Å²	91	110.4 Å²	110.4	64%	0.636	72%	0.718	S	S	*	*			trans	78.8	156.5	151.4	79.9	0	0	0	0	119.7
1784	T	36.1	Very low	34.7	Very low	131 Å²	131	115.6 Å²	115.6	80%	0.804	73%	0.729	S	S	*	*			cis	-161.5	144.2	-28.1	20.8	0	0	0	0	111.2
1785	P	42.5	Very low	34.9	Very low	108 Å²	108	115.5 Å²	115.5	70%	0.701	73%	0.733	S	S	*	*			trans	-126.4	-177.7	176.2	44	-32.9	0	0	0	115.3
1786	P	44.8	Very low	35.1	Very low	126 Å²	126	113.1 Å²	113.1	82%	0.818	74%	0.736	S	S	*	*			trans	-116.6	174.1	151.2	39.8	-29.2	0	0	0	111.6
1787	S	41.6	Very low	35.2	Very low	125 Å²	125	114.7 Å²	114.7	87%	0.874	75%	0.747	S	S	*	*			cis	-146.9	-171.2	11.2	63	0	0	0	0	111.7
1788	S	34	Very low	35.2	Very low	109 Å²	109	116.8 Å²	116.8	76%	0.762	76%	0.758	S	S	*	*			trans	-160.4	153.3	-167.8	61.8	0	0	0	0	119.2
1789	S	31.9	Very low	36	Very low	107 Å²	107	114.7 Å²	114.7	75%	0.748	75%	0.747	S	S	*	*			trans	119.2	144.4	137.4	77.8	0	0	0	0	120.9
1790	S	33.2	Very low	36	Very low	121 Å²	121	114.6 Å²	114.6	85%	0.846	74%	0.742	S	S	*	*			trans	68.7	141.3	178.9	73.8	0	0	0	0	118.1
1791	A	34.5	Very low	36	Very low	93 Å²	93	119.7 Å²	119.7	77%	0.769	75%	0.753	S	S	*	*			cis	-161.8	132.5	-20.4	0	0	0	0	0	111.8
1792	P	43.2	Very low	36.1	Very low	123 Å²	123	120.7 Å²	120.7	80%	0.799	76%	0.76	S	S	*	*			trans	-139.1	-164.5	173.2	46.1	-30.8	0	0	0	112.6
1793	P	47.8	Very low	35.8	Very low	110 Å²	110	126.5 Å²	126.5	71%	0.714	77%	0.771	S	S	*	*			cis	-140	-179.2	0.2	43.5	-25.3	0	0	0	118.3
1794	K	32.7	Very low	35.8	Very low	200 Å²	200	128.2 Å²	128.2	87%	0.87	78%	0.777	S	S	*	*			trans	111.4	136.5	163.3	-67.4	-178.7	179.8	-175.9	0	114.2
1795	S	33.5	Very low	35.4	Very low	101 Å²	101	126.5 Å²	126.5	71%	0.706	77%	0.771	S	S	*	*			cis	-166.4	130.8	-17.9	44.9	0	0	0	0	107.3
1796	L	32.5	Very low	34.8	Very low	168 Å²	168	130 Å²	130	88%	0.88	78%	0.777	S	S	*	*				-166	169.7	90.3	-108.3	140.9	0	0	0	111.3
1797	S	31.4	Very low	34.1	Very low	111 Å²	111	129.3 Å²	129.3	78%	0.776	77%	0.774	S	S	*	*			trans	-84.2	117.8	-167.3	49.4	0	0	0	0	115.6
1798	S	28.6	Very low	33.3	Very low	104 Å²	104	129.2 Å²	129.2	73%	0.727	77%	0.773	S	S	*	*			trans	-92.3	-157	137.7	62.7	0	0	0	0	107.7
1799	P	45.6	Very low	33.2	Very low	105 Å²	105	131 Å²	131	68%	0.682	77%	0.773	S	S	*	*			cis	-135.4	-177.2	-16.2	40.8	-25.1	0	0	0	113.9
1800	T	32.2	Very low	33	Very low	113 Å²	113	131.3 Å²	131.3	69%	0.693	78%	0.776	S	S	*	*				-163.2	131.6	122.1	25.8	0	0	0	0	112.7
1801	K	32.6	Very low	33	Very low	189 Å²	189	133 Å²	133	82%	0.822	77%	0.774	S	S	*	*			trans	51.7	147.5	134	-59.9	170.3	-174.8	174.1	0	120.6
1802	S	30.9	Very low	32.7	Very low	96 Å²	96	131.6 Å²	131.6	67%	0.671	77%	0.768	S	S	*	*			cis	-176.9	142.1	-16.1	49.8	0	0	0	0	111.6
1803	Y	30	Very low	32.2	Very low	225 Å²	225	137 Å²	137	88%	0.882	77%	0.774	S	S	*	*			trans	62.8	148.9	145.8	-94.6	-101.4	0	0	0	122.3
1804	V	31.3	Very low	31.3	Very low	128 Å²	128	135.1 Å²	135.1	78%	0.776	78%	0.775	S	S	*	*			trans	58.5	97.1	170.5	-169	0	0	0	0	115
1805	S	29.7	Very low	31.2	Very low	95 Å²	95	131.3 Å²	131.3	66%	0.664	77%	0.773	S	S	*	*				79	113.9	64.3	-172.9	0	0	0	0	115.3
1806	H	28	Very low	31.3	Very low	180 Å²	180	132.3 Å²	132.3	83%	0.833	78%	0.775	S	S	*	*			trans	22.5	117.9	154.6	-62.6	-93.2	0	0	0	119.9
1807	C	30.6	Very low	31.4	Very low	113 Å²	113	128.6 Å²	128.6	76%	0.764	77%	0.769	S	S	*	*				-157.8	111	108.9	-134.1	0	0	0	0	112.6
1808	S	26	Very low	31.5	Very low	122 Å²	122	128.5 Å²	128.5	85%	0.853	77%	0.768	S	S	*	*			trans	-122.9	112.4	164.3	-56.4	0	0	0	0	107
1809	L	30.7	Very low	31.5	Very low	146 Å²	146	129.5 Å²	129.5	76%	0.764	78%	0.775	S	S	*	*			trans	-129	71	-170.5	-130.3	170.9	0	0	0	111.4
1810	S	28.3	Very low	30.9	Very low	115 Å²	115	132.5 Å²	132.5	80%	0.804	78%	0.78	S	S	*	*			trans	-118.3	91.3	167.8	57.4	0	0	0	0	108.9
1811	I	32.1	Very low	30.9	Very low	157 Å²	157	134.3 Å²	134.3	81%	0.805	78%	0.781	S	S	*	*			trans	-118.9	123.8	174.8	-64.1	-180	0	0	0	108.7
1812	G	29.3	Very low	30.9	Very low	62 Å²	62	132.1 Å²	132.1	64%	0.639	77%	0.773	S	S	*	*			trans	-135.6	102.6	174.6	0	0	0	0	0	112
1813	Y	32.4	Very low	30.8	Very low	237 Å²	237	135.3 Å²	135.3	93%	0.929	78%	0.778	S	S	*	*			trans	59.8	137	151.3	-62.6	-84.7	0	0	0	121.7
1814	G	29.4	Very low	30.9	Very low	71 Å²	71	135.7 Å²	135.7	73%	0.732	78%	0.777	S	S	*	*			trans	102.4	111.5	172.6	0	0	0	0	0	113.3
1815	S	31	Very low	30.8	Very low	119 Å²	119	137.4 Å²	137.4	83%	0.832	78%	0.777	S	S	*	*			cis	69.1	126.5	22.5	-118.2	0	0	0	0	112.8
1816	T	33.9	Very low	31.5	Very low	123 Å²	123	137.3 Å²	137.3	76%	0.755	77%	0.774	S	S	*	*			cis	-156.4	174	22.3	49.3	0	0	0	0	113.8
1817	A	35.8	Very low	31.7	Very low	90 Å²	90	134.3 Å²	134.3	74%	0.744	77%	0.773	S	S	*	*			trans	77.8	156.3	146.1	0	0	0	0	0	119.3
1818	S	32.3	Very low	32.1	Very low	108 Å²	108	133.9 Å²	133.9	76%	0.755	77%	0.769	S	S	*	*			cis	-142.3	148.6	7.8	-67.1	0	0	0	0	114
1819	S	30.2	Very low	32.4	Very low	126 Å²	126	133.5 Å²	133.5	88%	0.881	77%	0.767	S	S	*	*			trans	-159	135	137	-78.9	0	0	0	0	109.4
1820	E	33.2	Very low	32.5	Very low	168 Å²	168	130.4 Å²	130.4	79%	0.785	76%	0.762	S	S	*	*			trans	-85.5	174.3	177.2	-67.3	178.7	52.6	0	0	110.4
1821	Q	31.2	Very low	32.6	Very low	151 Å²	151	130.8 Å²	130.8	71%	0.706	76%	0.76	S	S	*	*			cis	-164.2	159.5	27.2	-150.3	160.5	45.6	0	0	113.6
1822	Q	32	Very low	32.7	Very low	142 Å²	142	129.1 Å²	129.1	66%	0.664	76%	0.757	S	S	*	*			trans	86.7	103.4	141.7	-143.7	145.8	9.3	0	0	124.7
1823	Q	30.4	Very low	32.9	Very low	164 Å²	164	131 Å²	131	77%	0.766	76%	0.76	S	S	*	*				57	127.9	128.1	-64.8	172.7	-27.9	0	0	126
1824	R	30.9	Very low	33	Very low	232 Å²	232	123.9 Å²	123.9	88%	0.875	75%	0.745	S	S	*	*			trans	17.2	133.2	139.4	-74.3	-172.2	177.2	-171.3	-1.5	123.7
1825	E	29.5	Very low	33.3	Very low	165 Å²	165	128.9 Å²	128.9	77%	0.771	75%	0.747	S	S	*	*			trans	64.7	155.5	132.5	-60.6	-74.7	130.6	0	0	120.2
1826	P	44.5	Very low	33.5	Very low	92 Å²	92	129.9 Å²	129.9	60%	0.597	74%	0.743	S	S	*	*				-138.9	146.9	-60.6	37.4	-19.5	0	0	0	115.6
1827	S	32	Very low	33.6	Very low	117 Å²	117	128.2 Å²	128.2	82%	0.818	74%	0.736	S	S	*	*			trans	65.5	168.7	159.8	82.9	0	0	0	0	118.8
1828	P	39.9	Very low	33.4	Very low	104 Å²	104	130.9 Å²	130.9	68%	0.675	74%	0.738	S	S	*	*			cis	-124.2	179.1	-13.8	40.5	-26.7	0	0	0	113.7
1829	S	30.5	Very low	34	Very low	115 Å²	115	131.1 Å²	131.1	80%	0.804	74%	0.737	S	S	*	*			trans	63.5	154	160.9	49.8	0	0	0	0	118.9
1830	A	33.9	Very low	34.2	Very low	81 Å²	81	128.8 Å²	128.8	67%	0.669	73%	0.725	S	S	*	*			cis	-166.1	142.4	-20.1	0	0	0	0	0	111.8
1831	T	31	Very low	34.5	Very low	122 Å²	122	125.3 Å²	125.3	75%	0.748	72%	0.716	S	S	*	*			trans	68	137	137	-53	0	0	0	0	122.4
1832	T	33.2	Very low	34.7	Very low	123 Å²	123	121.5 Å²	121.5	76%	0.755	72%	0.716	S	S	*	*			trans	80.3	150.6	153.5	36.1	0	0	0	0	124.5
1833	S	34.3	Very low	34.9	Very low	101 Å²	101	120.6 Å²	120.6	71%	0.706	72%	0.72	S	S	*	*			trans	69.7	105.1	158.2	43.6	0	0	0	0	117.1
1834	S	33.8	Very low	35.2	Very low	88 Å²	88	119.3 Å²	119.3	62%	0.615	72%	0.718	S	S	*	*				92.5	145	61.8	69.5	0	0	0	0	111.6
1835	F	35	Very low	35.5	Very low	175 Å²	175	115.6 Å²	115.6	77%	0.768	71%	0.71	S	S	*	*			cis	-159.9	163.7	35.3	-103	-57.7	0	0	0	112
1836	L	35.5	Very low	35.8	Very low	141 Å²	141	113.8 Å²	113.8	74%	0.738	71%	0.705	S	S	*	*			trans	57.8	116.4	143	-64.3	168.1	0	0	0	118.5
1837	S	35.5	Very low	35.4	Very low	88 Å²	88	119.8 Å²	119.8	62%	0.615	74%	0.74	S	S	*	*				94	149.6	72.9	-75.2	0	0	0	0	112.9
1838	D	31.7	Very low	35.5	Very low	145 Å²	145	120 Å²	120	78%	0.775	74%	0.736	S	S	*	*			cis	-156.7	162.6	-13.7	-109.1	-49.2	0	0	0	109.3
1839	P	46.3	Very low	35.3	Very low	113 Å²	113	120.8 Å²	120.8	73%	0.734	74%	0.74	S	S	*	*			trans	-104.8	159.2	-175.7	38.9	-32.7	0	0	0	114.9
1840	A	34.6	Very low	35.6	Very low	78 Å²	78	121.1 Å²	121.1	65%	0.645	74%	0.736	S	S	*	*			trans	-141.5	110.2	168.4	0	0	0	0	0	113.2
1841	T	39.3	Very low	35.7	Very low	95 Å²	95	123.5 Å²	123.5	58%	0.583	74%	0.74	S	S	*	*				10.3	146.7	129.9	24.8	0	0	0	0	120.8	S1295	S1295-T1841 VanDerWaalsContact CA-OG1 3.3Å; S1295-T1841 WeakPolarHBondContact CA-OG1 3.43Å; S1295-T1841 WeakPolarHBondContact CB-OG1 3.29Å; S1295-T1841 PolarHBondContact OG-OG1 3.48Å
1842	G	35.1	Very low	36	Very low	70 Å²	70	123.6 Å²	123.6	72%	0.722	74%	0.739	S	S	*	*			cis	168.8	175.9	-4	0	0	0	0	0	116.5
1843	V	35.3	Very low	36.2	Very low	123 Å²	123	123.6 Å²	123.6	75%	0.745	74%	0.738	S	S	*	*			trans	-5.1	130.1	164.2	-164.6	0	0	0	0	119.3
1844	I	37.4	Very low	36.3	Very low	138 Å²	138	125.2 Å²	125.2	71%	0.708	74%	0.741	S	S	*	*				-164.8	157.6	109.2	-88.5	160.9	0	0	0	109
1845	E	36.7	Very low	36.5	Very low	154 Å²	154	128.1 Å²	128.1	72%	0.72	75%	0.75	S	S	*	*			trans	-101.2	176.8	-155.7	-54.7	165	109.4	0	0	116.4
1846	N	35.5	Very low	36.6	Very low	126 Å²	126	124.2 Å²	124.2	67%	0.674	75%	0.749	S	S	*	*			trans	77.5	88.2	151.5	-62	-35.7	0	0	0	120
1847	V	36.3	Very low	36.7	Very low	219 Å²	219	122.6 Å²	122.6	100%	1.327	75%	0.75	S	S	*	*				-124.1	0	105.3	176.7	0	0	0	0	107.9

Retrieved 1,847 of 1,847 residues in 2319.3 ms (Link to these results)

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