WNK_CAEEL Loading...

Isoform j 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 X5M5N0-11 (canonical: X5M5N0), Species CAEEL (Caenorhabditis elegans), Gene wnk-1, Length 1,843 aa.

						>WNK_CAEEL|X5M5N0-11|wnk-1
MPDSITNGGRPPAPPSSVSSTTASTTGNFGTRRRLVNRIKKVDELHPAQENPTMGSHWLSEQERSRLEAVQQDWRRTRPMKFQWTSKKRPDDPTTSSPSTVSISNALENSTPSLNNVSSITNSSSPFSLSSAATSTASAIIPFTSNVATNHPHLNHHVSRIPQAIVTGGTNGSLPPLLISPTSAAAATPLISGKAGPMSPSTGSPINVAATVLQNAVSSPQHSIFDRSRLNKIPPNTSLASSSSPSDAANNDKPIQQRHSILSNVRTLTQAMVNDGPRTLTGDDMDKMVSEEERARKEQEKREEEEKAARRIDVEDDFDAQEKPIDKSKNGRFLKFDEELGRGSFKTVFRGLDTETGVAVAWCELQESKLNKTERQRFREEAEMLKDLQHPNIVRFYDYWESADLCGKRKYIVLVTELMTSGTLKMYLKRFKRINIKVLKSWCRQILKGLSFLHTRNPPVIHRDLKCDNIFITGTTGSVKIGDLGLATLKNKSFAKSVIGTPEFMAPEMYEEMYDESVDVYAFGMCLLEMVTGEYPYSECMNPATIYRKVISGVKPECFSRIPAQYPEIREIIDRCIRVRREERSTVKQLLVDDFFTPEDLIGIRVEIKNRDADLNDLNVEIQMQLRVYDEKKRKQYRFKENEGLQFAFDIENDSPDEVVQQMIEQQHIPDEDTRMITKLIKDKVDAFRRDRDHRLLEIKRAKEEEERIREEAEIKEELRLRAEAKEKEKERLEKERLEKKAAAAAAANPNPTPIPPTPATPHSSAQQQPIPPPLSTQTSAEIQQSAQQPSVPVTMIANIPAMSPTSAQPQPVLSPTSAAVPVPTTMIHVPKPSEIPVQNVATTAAPVAANNVPPSPAPFKTEDIQTPTLAQNTVPRTISTDASGLVINTPASIASPSPAPSATDVASTTAPVTPAPTPTTTTDGGAAAASTTTENKEEKRKSNKRKVVMEILGCDESRNFALVSCRLDTSHKSVTFQFAPGTDKPCTIATKLLAEDCLLKVHVHIVEAQLGEVIQLINSDGKKGVGTKLATVLDPNSTEPPTITAVMPKDSSAATASNTKPKIEIEKTPPTRDASQEPNNVQVTNVRKVSQESNAESVQSIPRPGGIIVMSPTNQTDSAPPPTGAAAKPSRFQVTKSADPIATPISSSISTATVIPIVAATPTNITSEPVIVQPITAQVITHLATPSPVSHSLSSNSSPSATTHSNMSSIQSTTSVPGRRFTVQPVSQAESGISSSISTPHPEPTPAITSCPPPVPSVPPVVSNGTLNLEVAPKQTPSATNQNVDTQHSSSTASTATLVSETPATVHVTPISVPAPVQEPLVIDHHSDVLTQLDSELRKCFQVSGVSHSASPSTVVESLTSMTPQTIPLACQTVPASIGQAPAVIAAAHAASLIPNASVPQSPSRLDAETGLAGLHEKLEALKMEQDRREDMGDDAIGTTTTDGKDEIPIDTLKGLAEALGKVIHADGRETTPMPPDHPDLTDASTQQLISPSNPDVLTTMSSAVEGSASSTMIEDIDASTSAVDASMMNSMPPGAQNSTDQIPAAMTLSMDQECAQSMTSSITRNTTGTKLATFENLETALSSTLGTHIRQPNAPSSRDETTAPMTPSFTNERIGGGGGGGATSFSIGTPPSHSPFPVSECDYDLKGQMDLESEDPEVIQMIVRHRMEQHKLLEKQRVEIERLRSKIRVPRATSVNPEMIGDDEADTTLTALQSALGNASLSLPASPPPNTETTKVNTTVIPSDVLATRMTMSQSSTKSSNVSVSSRHRDNQSAPPRHHHHQPHPPHHPHLQNHYHPPQNHTSATAPCPSAMVQLQAVSNNNVNPLHQPPHPVSSQIPPQA
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	36.1	Very low	189 Å²	189	125.7 Å²	125.7	93%	0.931	75%	0.749	S	S	*	*				0	142.3	0	-83.5	-73.8	-179.3	0	0	107.9	S1492	M1-S1492 VanDerWaalsContact CE-OG 3.32Å; M1-S1492 WeakPolarHBondContact CE-OG 3.23Å; M1-S1492 VanDerWaalsContact CG-OG 3.23Å; M1-S1492 WeakPolarHBondContact CG-OG 3.23Å; M1-S1492 PolarHBondContact SD-OG 3.07Å
2	P	36	Very low	36.5	Very low	83 Å²	83	125.2 Å²	125.2	54%	0.539	75%	0.751	S	S	.	*			trans	-111.2	-165.5	-172	37.3	-22.7	0	0	0	112.6
3	D	36.7	Very low	36.7	Very low	133 Å²	133	122.2 Å²	122.2	71%	0.711	75%	0.748	S	S	*	*			trans	73.2	100.7	154.8	-55.4	-27.9	0	0	0	120.6
4	S	32.4	Very low	37.1	Very low	91 Å²	91	122.2 Å²	122.2	64%	0.636	75%	0.751	S	S	*	*			trans	-26.5	152.9	140.7	-41.1	0	0	0	0	116.7
5	I	35.8	Very low	37.3	Very low	126 Å²	126	123.1 Å²	123.1	65%	0.646	76%	0.76	S	S	*	*				-173.2	130.9	121.7	-101.8	161.9	0	0	0	115.3	N1495	I5-N1495 PolarHBondContact N-ND2 3.47Å; I5-N1495 VanDerWaalsContact N-ND2 3.16Å; I5-N1495 PolarHBondContact O-ND2 3.46Å
6	T	37	Very low	37.3	Very low	97 Å²	97	122.8 Å²	122.8	60%	0.595	76%	0.764	S	S	*	*			trans	53	129.5	155.9	60.3	0	0	0	0	126
7	N	34.9	Very low	37.3	Very low	162 Å²	162	122 Å²	122	87%	0.866	76%	0.764	S	S	*	*				77.2	114	128	-64.5	-8.6	0	0	0	123.3
8	G	33.6	Very low	37.4	Very low	86 Å²	86	122.3 Å²	122.3	89%	0.887	77%	0.765	S	S	*	*			trans	169.2	111.2	146.4	0	0	0	0	0	116.4
9	G	34.7	Very low	37.3	Very low	87 Å²	87	120.9 Å²	120.9	90%	0.897	76%	0.759	S	S	*	*			trans	116.7	106.9	157	0	0	0	0	0	118.5
10	R	39.8	Very low	37	Very low	224 Å²	224	120.1 Å²	120.1	85%	0.845	76%	0.758	S	S	*	*			trans	-142.9	126.9	161.9	178.9	-175.3	-177.2	-114.4	-1.8	110.7
11	P	39.7	Very low	36.7	Very low	105 Å²	105	119.6 Å²	119.6	68%	0.682	75%	0.754	S	S	*	*			trans	-108.1	174.3	163.8	40.1	-31.8	0	0	0	111.6
12	P	40.7	Very low	36.3	Very low	119 Å²	119	116.8 Å²	116.8	77%	0.773	75%	0.748	S	S	*	*				-125.3	-174.2	-58.9	37.1	-23	0	0	0	111.4
13	A	39.7	Very low	36.1	Very low	87 Å²	87	116.9 Å²	116.9	72%	0.719	76%	0.755	S	S	*	*			trans	-142.3	146.8	175.8	0	0	0	0	0	112.8
14	P	42	Very low	35.7	Very low	122 Å²	122	115.5 Å²	115.5	79%	0.792	76%	0.756	S	S	*	*			trans	-97	172.6	173.6	42.7	-37	0	0	0	111.3
15	P	40.4	Very low	35.6	Very low	136 Å²	136	116.5 Å²	116.5	88%	0.883	76%	0.759	S	S	*	*				-119.3	179.7	-105.7	14.3	11.2	0	0	0	115.4
16	S	37.2	Very low	35.3	Very low	117 Å²	117	117.3 Å²	117.3	82%	0.818	77%	0.77	S	S	*	*			trans	-116.3	142.6	-165.2	58.6	0	0	0	0	116.1
17	S	37.9	Very low	35	Very low	110 Å²	110	115.9 Å²	115.9	77%	0.769	77%	0.774	S	S	*	*			trans	-169.8	139.7	161.3	55.4	0	0	0	0	110.6
18	V	38.4	Very low	34.8	Very low	128 Å²	128	115 Å²	115	78%	0.776	77%	0.769	S	S	*	*			cis	-161.2	165.1	-9.7	-94.2	0	0	0	0	109
19	S	35	Very low	34.5	Very low	95 Å²	95	119.8 Å²	119.8	66%	0.664	77%	0.766	S	S	*	*			trans	50.1	113.7	154.9	52.7	0	0	0	0	119.7
20	S	32.4	Very low	34.5	Very low	104 Å²	104	119.1 Å²	119.1	73%	0.727	76%	0.76	S	S	*	*				71.9	149.8	71.4	86.2	0	0	0	0	114.2
21	T	30.3	Very low	34.2	Very low	110 Å²	110	114.1 Å²	114.1	68%	0.675	75%	0.754	S	S	*	*			cis	-162.7	147.7	14	-21.5	0	0	0	0	112
22	T	28.4	Very low	33.8	Very low	130 Å²	130	119.4 Å²	119.4	80%	0.798	76%	0.76	S	S	*	*			trans	57	161	147.7	42.7	0	0	0	0	124
23	A	32.1	Very low	33.5	Very low	85 Å²	85	125 Å²	125	70%	0.702	77%	0.766	S	S	*	*			trans	68.4	114.2	162.8	0	0	0	0	0	116.9
24	S	28.1	Very low	33.1	Very low	105 Å²	105	131.7 Å²	131.7	73%	0.734	77%	0.773	S	S	*	*			cis	88.1	158.3	39.3	85.5	0	0	0	0	115.3
25	T	29.7	Very low	32.6	Very low	112 Å²	112	132.9 Å²	132.9	69%	0.687	77%	0.772	S	S	*	*			trans	86.8	84.6	160.6	-45.8	0	0	0	0	118
26	T	30.2	Very low	32.1	Very low	143 Å²	143	131.5 Å²	131.5	88%	0.877	76%	0.76	S	S	*	*			trans	59.5	175.9	141.6	69.9	0	0	0	0	119
27	G	29.4	Very low	31.7	Very low	67 Å²	67	132.8 Å²	132.8	69%	0.691	76%	0.758	S	S	*	*			trans	157.7	2.6	160.4	0	0	0	0	0	121.3
28	N	31.1	Very low	31.2	Very low	142 Å²	142	138 Å²	138	76%	0.759	76%	0.761	S	S	*	*			trans	37.1	129.7	162.1	-90.6	10.9	0	0	0	121.5
29	F	28.7	Very low	31	Very low	188 Å²	188	138.9 Å²	138.9	83%	0.825	76%	0.76	S	S	*	*			trans	59.4	105.2	140	-76.9	-118.2	0	0	0	119.1
30	G	33.1	Very low	30.7	Very low	73 Å²	73	143.5 Å²	143.5	75%	0.753	77%	0.768	S	S	*	*				69.2	160.6	117.5	0	0	0	0	0	119.1
31	T	35	Very low	30.5	Very low	119 Å²	119	146.2 Å²	146.2	73%	0.73	77%	0.767	S	S	*	*			cis	-163.6	175	26.9	-31.8	0	0	0	0	109.4
32	R	31.2	Very low	30.7	Very low	215 Å²	215	147.4 Å²	147.4	81%	0.811	77%	0.773	S	S	*	*			trans	70.1	105.7	154.7	-69.3	156.6	-173.1	-115	-3.8	117.2
33	R	32.9	Very low	30.8	Very low	237 Å²	237	145.4 Å²	145.4	89%	0.894	76%	0.758	S	S	*	*				25.9	125.3	106.6	-55.9	177	-175.8	179.7	0.8	115.7
34	R	31.6	Very low	30.7	Very low	228 Å²	228	150 Å²	150	86%	0.86	76%	0.764	S	S	*	*				-176.9	160.1	116.6	-107.1	166	177.6	178.6	-2.5	114.5
35	L	32	Very low	31.1	Very low	147 Å²	147	152.9 Å²	152.9	77%	0.77	77%	0.771	S	S	*	*			trans	61.7	125.8	166.4	-89.9	53.5	0	0	0	116.7
36	V	30.2	Very low	31.3	Very low	107 Å²	107	156.3 Å²	156.3	65%	0.648	78%	0.779	S	S	*	*			cis	78.3	108.2	22.7	-169.7	0	0	0	0	114.8
37	N	27.7	Very low	31.6	Very low	144 Å²	144	153.9 Å²	153.9	77%	0.77	77%	0.766	S	S	*	*			trans	65.8	155.8	170	-57.3	-24.9	0	0	0	114.3
38	R	28.3	Very low	31.7	Very low	219 Å²	219	153.9 Å²	153.9	83%	0.826	76%	0.759	S	S	*	*			cis	-169.2	174.3	29.4	-149.5	174.4	-157.9	161.5	2.6	109.4
39	I	34.1	Very low	31.6	Very low	146 Å²	146	152.5 Å²	152.5	75%	0.749	75%	0.748	S	S	*	*			trans	72.3	112.8	165.4	-56.3	155.4	0	0	0	112.9
40	K	28.6	Very low	31.9	Very low	193 Å²	193	149.2 Å²	149.2	84%	0.839	74%	0.735	S	S	*	*			cis	82	121.8	45.7	-72.3	-169.4	171.3	-172.2	0	115.2
41	K	28.1	Very low	32	Very low	161 Å²	161	152.1 Å²	152.1	70%	0.7	73%	0.733	S	S	*	*			trans	56.5	121.1	156.1	-84	-175.4	155.9	-71.7	0	118.7	D43	K41-D43 IonicContact NZ-OD1 2.83Å; K41-D43 PolarHBondContact NZ-OD1 3.11Å; K41-D43 IonicContact NZ-OD2 3.47Å; K41-D43 PolarHBondContact NZ-OD2 3.46Å
42	V	34.9	Very low	32	Very low	135 Å²	135	152.1 Å²	152.1	82%	0.818	74%	0.736	S	S	*	*				-159.3	109.6	94.3	153	0	0	0	0	103.9
43	D	30.9	Very low	32.2	Very low	87 Å²	87	148.8 Å²	148.8	47%	0.465	74%	0.739	S	S	.	*				72	120.2	74.9	-64.3	-52.7	0	0	0	113.6	K41	K41-D43 IonicContact NZ-OD1 2.83Å; K41-D43 PolarHBondContact NZ-OD1 3.11Å; K41-D43 IonicContact NZ-OD2 3.47Å; K41-D43 PolarHBondContact NZ-OD2 3.46Å
44	E	29.8	Very low	32.2	Very low	181 Å²	181	146.7 Å²	146.7	85%	0.846	74%	0.742	S	S	*	*			trans	63.2	131.9	159.6	-55.8	178.3	121.7	0	0	117.5
45	L	35.4	Very low	32.2	Very low	166 Å²	166	139.6 Å²	139.6	87%	0.869	74%	0.739	S	S	*	*			cis	-145	172.6	37	-74.8	164.3	0	0	0	114.6
46	H	35	Very low	32.3	Very low	184 Å²	184	137.9 Å²	137.9	85%	0.852	74%	0.74	S	S	*	*			trans	-102.9	-176.4	179.4	-115.4	-131.5	0	0	0	111
47	P	35.5	Very low	32.8	Very low	93 Å²	93	137.8 Å²	137.8	60%	0.604	73%	0.732	S	S	*	*			cis	-139.7	166.8	-11.5	39	-20.1	0	0	0	117.9
48	A	32.3	Very low	33.6	Very low	67 Å²	67	140.4 Å²	140.4	55%	0.554	73%	0.731	S	S	*	*			trans	63.4	140.4	134.9	0	0	0	0	0	127.1
49	Q	29.3	Very low	35	Very low	113 Å²	113	133.1 Å²	133.1	53%	0.528	71%	0.709	S	S	.	*			trans	85.5	112.1	141.1	-168	-172	-20.3	0	0	121.1	S1151 T1152	Q49-S1151 VanDerWaalsContact CG-OG 3.31Å; Q49-S1151 WeakPolarHBondContact CG-OG 3.2Å; Q49-S1151 WeakPolarHBondContact O-CB 3.37Å; Q49-S1151 PolarHBondContact O-OG 2.87Å; Q49-T1152 PolarHBondContact OE1-OG1 2.77Å
50	E	35	Very low	36.9	Very low	118 Å²	118	128.8 Å²	128.8	55%	0.551	69%	0.691	S	S	*	*			trans	-159.4	164.3	135.8	-127.6	156	-106.3	0	0	111.7	S1149 I1150	E50-S1149 WeakPolarHBondContact OE1-CA 3.35Å; E50-I1150 PolarHBondContact OE1-N 3.37Å
51	N	33.7	Very low	38.5	Very low	134 Å²	134	127.2 Å²	127.2	72%	0.717	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-86.6	151.5	-150.5	-59.3	-48	0	0	0	117.5
52	P	34.7	Very low	40.2	Very low	120 Å²	120	126 Å²	126	78%	0.779	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-95.5	124.1	161.9	35	-28.9	0	0	0	112.6
53	T	37	Very low	41.7	Very low	144 Å²	144	124.1 Å²	124.1	88%	0.883	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-78.9	118.9	174.7	46.2	0	0	0	0	112.3
54	M	31.7	Very low	43.5	Very low	194 Å²	194	127.2 Å²	127.2	96%	0.956	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-76.9	143.7	168.7	-78	-168.3	-82.2	0	0	111.6
55	G	31.2	Very low	45.6	Very low	78 Å²	78	121.5 Å²	121.5	80%	0.804	65%	0.651	S	S	*	*			trans	178.6	-5.4	175.2	0	0	0	0	0	119.5
56	S	35.4	Very low	47.4	Very low	111 Å²	111	121.8 Å²	121.8	78%	0.776	64%	0.641	S	S	*	*			trans	-152.7	59.3	-170.3	66.3	0	0	0	0	115.9
57	H	41.1	Very low	49	Very low	106 Å²	106	116.7 Å²	116.7	49%	0.491	62%	0.619	S	S	.	*			trans	-146.4	75	174.4	-140.6	-107.4	0	0	0	112.9	L59	H57-L59 PolarHBondContact CE1-O 3.26Å; H57-L59 PolarHBondContact ND1-O 2.6Å; H57-L59 PolarHBondContact O-N 3.12Å
58	W	42.8	Very low	51	Low	198 Å²	198	117.6 Å²	117.6	75%	0.75	62%	0.615	S	S	*	*			trans	-79.3	5.3	-177	-92.5	102.6	0	0	0	115.7	D600	W58-D600 HydrophobicContact CH2-CB 3.46Å; W58-D600 VanDerWaalsContact CH2-CB 3.46Å; W58-D600 VanDerWaalsContact CH2-CG 3.5Å; W58-D600 WeakPolarHBondContact CH2-OD1 3.39Å; W58-D600 HydrophobicContact CZ2-CB 3.36Å
59	L	58.9	Low	53.1	Low	67 Å²	67	117 Å²	117	35%	0.351	61%	0.61	S	S	.	*	S	Bend	trans	-140.2	127	-179.1	-67.1	164	0	0	0	105.9	H57 E63 R64 L67	H57-L59 PolarHBondContact CE1-O 3.26Å; H57-L59 PolarHBondContact ND1-O 2.6Å; H57-L59 PolarHBondContact O-N 3.12Å; L59-E63 HydrophobicContact CB-CB 4.17Å; L59-E63 HydrophobicContact CD2-CB 4.14Å; L59-R64 HydrophobicContact CB-CB 4.31Å; L59-L67 HydrophobicContact CD1-CD1 3.48Å; L59-L67 VanDerWaalsContact CD1-CD1 3.48Å; L59-L67 HydrophobicContact CD2-CD1 3.71Å; L59-L67 HydrophobicContact CG-CD1 4.25Å
60	S	73.2	Confident	55.2	Low	55 Å²	55	116 Å²	116	39%	0.385	61%	0.612	S	S	.	*			trans	-54.3	155.9	170.7	61.7	0	0	0	0	110.4	Q62 E63 R64	S60-Q62 PolarHBondContact O-N 3.09Å; S60-E63 VanDerWaalsContact CB-OE2 3.29Å; S60-E63 WeakPolarHBondContact CB-OE2 3.24Å; S60-E63 PolarHBondContact N-OE2 2.95Å; S60-E63 CarbonylContact O-C 3.52Å; S60-E63 WeakPolarHBondContact O-CA 3.42Å; S60-E63 PolarHBondContact O-N 2.82Å; S60-E63 VanDerWaalsContact OG-CG 3.3Å; S60-E63 WeakPolarHBondContact OG-CG 3.42Å; S60-E63 PolarHBondContact OG-N 2.77Å; S60-E63 VanDerWaalsContact OG-N 3.15Å; S60-E63 PolarHBondContact OG-OE2 2.75Å; S60-R64 WeakPolarHBondContact O-CB 3.22Å; S60-R64 PolarHBondContact O-N 3.45Å
61	E	61.5	Low	56.9	Low	160 Å²	160	115.4 Å²	115.4	75%	0.748	61%	0.609	S	S	*	*	H	α-helix	trans	-54.1	-31.8	174.5	-70.4	-167.6	122	0	0	112	S65	E61-S65 WeakPolarHBondContact O-CB 3.45Å; E61-S65 PolarHBondContact O-N 2.83Å
62	Q	64.3	Low	58.6	Low	135 Å²	135	112.9 Å²	112.9	63%	0.631	59%	0.593	S	S	*	*	H	α-helix	trans	-67.8	-36.6	175.2	-158.9	69	83.8	0	0	112.9	S60 R66	S60-Q62 PolarHBondContact O-N 3.09Å; Q62-R66 WeakPolarHBondContact O-CB 3.35Å; Q62-R66 WeakPolarHBondContact O-CG 3.36Å; Q62-R66 PolarHBondContact O-N 3.45Å
63	E	66.8	Low	60.4	Low	95 Å²	95	111.7 Å²	111.7	44%	0.444	58%	0.58	S	S	.	*	H	α-helix	trans	-79.5	-36.7	175.1	-71.7	161.8	125	0	0	112.5	L59 S60 R66 L67	L59-E63 HydrophobicContact CB-CB 4.17Å; L59-E63 HydrophobicContact CD2-CB 4.14Å; S60-E63 VanDerWaalsContact CB-OE2 3.29Å; S60-E63 WeakPolarHBondContact CB-OE2 3.24Å; S60-E63 PolarHBondContact N-OE2 2.95Å; S60-E63 CarbonylContact O-C 3.52Å; S60-E63 WeakPolarHBondContact O-CA 3.42Å; S60-E63 PolarHBondContact O-N 2.82Å; S60-E63 VanDerWaalsContact OG-CG 3.3Å; S60-E63 WeakPolarHBondContact OG-CG 3.42Å; S60-E63 PolarHBondContact OG-N 2.77Å; S60-E63 VanDerWaalsContact OG-N 3.15Å; S60-E63 PolarHBondContact OG-OE2 2.75Å; E63-R66 CarbonylContact O-C 3.2Å; E63-R66 PolarHBondContact O-N 2.78Å; E63-L67 WeakPolarHBondContact O-CB 3.46Å; E63-L67 PolarHBondContact O-N 3.4Å
64	R	69.2	Low	61.6	Low	152 Å²	152	112.2 Å²	112.2	57%	0.574	57%	0.566	S	S	*	*	H	α-helix	trans	-61.9	-46.2	172.2	-161.1	-179.9	-166.2	-168.3	9.1	109.9	L59 S60 R66 L67 E68	L59-R64 HydrophobicContact CB-CB 4.31Å; S60-R64 WeakPolarHBondContact O-CB 3.22Å; S60-R64 PolarHBondContact O-N 3.45Å; R64-R66 VanDerWaalsContact C-N 3.34Å; R64-R66 PolarHBondContact O-N 3.43Å; R64-L67 PolarHBondContact O-N 2.87Å; R64-E68 WeakPolarHBondContact O-CB 3.14Å; R64-E68 PolarHBondContact O-N 3.12Å
65	S	72.9	Confident	63.3	Low	61 Å²	61	109.7 Å²	109.7	43%	0.427	55%	0.546	S	S	.	.	H	α-helix	trans	-63.4	-34.4	172.1	-179.6	0	0	0	0	112.6	E61 A69	E61-S65 WeakPolarHBondContact O-CB 3.45Å; E61-S65 PolarHBondContact O-N 2.83Å; S65-A69 WeakPolarHBondContact O-CB 3.31Å; S65-A69 PolarHBondContact O-N 3.48Å
66	R	73.3	Confident	64.8	Low	173 Å²	173	114.7 Å²	114.7	65%	0.653	54%	0.54	S	S	*	.	H	α-helix	trans	-71.6	-38.3	172.9	-77.9	171.9	71.9	-173.1	0.4	113.1	Q62 E63 R64 V70	Q62-R66 WeakPolarHBondContact O-CB 3.35Å; Q62-R66 WeakPolarHBondContact O-CG 3.36Å; Q62-R66 PolarHBondContact O-N 3.45Å; E63-R66 CarbonylContact O-C 3.2Å; E63-R66 PolarHBondContact O-N 2.78Å; R64-R66 VanDerWaalsContact C-N 3.34Å; R64-R66 PolarHBondContact O-N 3.43Å; R66-V70 WeakPolarHBondContact O-CB 3.32Å; R66-V70 VanDerWaalsContact O-CG2 3.27Å; R66-V70 WeakPolarHBondContact O-CG2 3.33Å; R66-V70 PolarHBondContact O-N 2.73Å
67	L	69.8	Low	65.8	Low	77 Å²	77	113.9 Å²	113.9	40%	0.403	53%	0.531	S	S	.	.	H	α-helix	trans	-69.6	-38.5	174.2	-93.9	162.7	0	0	0	111.6	L59 E63 R64 V70 Q71	L59-L67 HydrophobicContact CD1-CD1 3.48Å; L59-L67 VanDerWaalsContact CD1-CD1 3.48Å; L59-L67 HydrophobicContact CD2-CD1 3.71Å; L59-L67 HydrophobicContact CG-CD1 4.25Å; E63-L67 WeakPolarHBondContact O-CB 3.46Å; E63-L67 PolarHBondContact O-N 3.4Å; R64-L67 PolarHBondContact O-N 2.87Å; L67-V70 PolarHBondContact O-N 2.89Å; L67-Q71 WeakPolarHBondContact O-CB 3.2Å; L67-Q71 WeakPolarHBondContact O-CG 3.36Å; L67-Q71 PolarHBondContact O-N 2.76Å
68	E	76.2	Confident	66.2	Low	111 Å²	111	116.2 Å²	116.2	52%	0.519	54%	0.536	S	S	.	.	H	α-helix	trans	-68.5	-38.3	173.7	-173	165.5	-130.2	0	0	111.4	R64 Q71 Q72	R64-E68 WeakPolarHBondContact O-CB 3.14Å; R64-E68 PolarHBondContact O-N 3.12Å; E68-Q71 PolarHBondContact O-N 2.91Å; E68-Q72 WeakPolarHBondContact O-CB 3.16Å; E68-Q72 WeakPolarHBondContact O-CG 3.28Å; E68-Q72 PolarHBondContact O-N 3.17Å
69	A	77.3	Confident	65.9	Low	54 Å²	54	113 Å²	113	45%	0.446	54%	0.54	S	S	.	.	H	α-helix	trans	-64.2	-40.6	169.8	0	0	0	0	0	112	S65 Q72 D73	S65-A69 WeakPolarHBondContact O-CB 3.31Å; S65-A69 PolarHBondContact O-N 3.48Å; A69-Q72 PolarHBondContact O-N 2.92Å; A69-D73 VanDerWaalsContact O-CB 3.27Å; A69-D73 WeakPolarHBondContact O-CB 3.25Å; A69-D73 PolarHBondContact O-N 3.44Å
70	V	72.9	Confident	64.8	Low	94 Å²	94	116.3 Å²	116.3	57%	0.57	56%	0.556	S	S	*	*	H	α-helix	trans	-69	-36.3	174.8	167	0	0	0	0	111.8	R66 L67 D73 W74	R66-V70 WeakPolarHBondContact O-CB 3.32Å; R66-V70 VanDerWaalsContact O-CG2 3.27Å; R66-V70 WeakPolarHBondContact O-CG2 3.33Å; R66-V70 PolarHBondContact O-N 2.73Å; L67-V70 PolarHBondContact O-N 2.89Å; V70-D73 PolarHBondContact O-N 2.94Å; V70-W74 VanDerWaalsContact O-CB 3.23Å; V70-W74 WeakPolarHBondContact O-CB 3.43Å; V70-W74 PolarHBondContact O-N 2.76Å
71	Q	70.8	Confident	63	Low	104 Å²	104	119 Å²	119	49%	0.486	56%	0.56	S	S	.	*	H	α-helix	trans	-69.5	-37	171.7	-78.7	-168.6	-5.2	0	0	112.1	L67 E68 R75	L67-Q71 WeakPolarHBondContact O-CB 3.2Å; L67-Q71 WeakPolarHBondContact O-CG 3.36Å; L67-Q71 PolarHBondContact O-N 2.76Å; E68-Q71 PolarHBondContact O-N 2.91Å; Q71-R75 VanDerWaalsContact O-CB 3.28Å; Q71-R75 WeakPolarHBondContact O-CB 3.28Å; Q71-R75 WeakPolarHBondContact O-CD 3.36Å; Q71-R75 WeakPolarHBondContact O-CG 3.42Å; Q71-R75 PolarHBondContact O-N 3.37Å
72	Q	69	Low	61.4	Low	82 Å²	82	118.9 Å²	118.9	38%	0.383	56%	0.557	S	S	.	*	H	α-helix	trans	-66.1	-42.9	171.9	-79	-166	39.6	0	0	111.2	E68 A69 R75 R76	E68-Q72 WeakPolarHBondContact O-CB 3.16Å; E68-Q72 WeakPolarHBondContact O-CG 3.28Å; E68-Q72 PolarHBondContact O-N 3.17Å; A69-Q72 PolarHBondContact O-N 2.92Å; Q72-R75 CarbonylContact O-C 3.53Å; Q72-R75 PolarHBondContact O-N 2.8Å; Q72-R76 VanDerWaalsContact O-CB 3.3Å; Q72-R76 WeakPolarHBondContact O-CB 3.35Å; Q72-R76 WeakPolarHBondContact O-CD 3.48Å; Q72-R76 WeakPolarHBondContact O-CG 3.42Å; Q72-R76 PolarHBondContact O-N 3.49Å
73	D	73.4	Confident	59.7	Low	95 Å²	95	119.2 Å²	119.2	51%	0.508	56%	0.559	S	S	.	*	H	α-helix	trans	-64.4	-43.5	177	-166.2	44.9	0	0	0	110.9	A69 V70 R75 R76 T77	A69-D73 VanDerWaalsContact O-CB 3.27Å; A69-D73 WeakPolarHBondContact O-CB 3.25Å; A69-D73 PolarHBondContact O-N 3.44Å; V70-D73 PolarHBondContact O-N 2.94Å; D73-R75 VanDerWaalsContact C-N 3.34Å; D73-R75 PolarHBondContact O-N 2.92Å; D73-R76 CarbonylContact O-C 3.59Å; D73-R76 PolarHBondContact O-N 3.49Å; D73-R76 VanDerWaalsContact O-N 3.11Å; D73-T77 WeakPolarHBondContact O-CB 3.42Å; D73-T77 WeakPolarHBondContact O-CG2 3.45Å; D73-T77 PolarHBondContact O-N 2.82Å; D73-T77 PolarHBondContact O-OG1 2.8Å
74	W	61.8	Low	57.7	Low	154 Å²	154	126.4 Å²	126.4	58%	0.583	58%	0.582	S	S	*	*	H	α-helix	trans	-63.4	-34.8	172.7	-170.8	75.8	0	0	0	113.2	V70 R78	V70-W74 VanDerWaalsContact O-CB 3.23Å; V70-W74 WeakPolarHBondContact O-CB 3.43Å; V70-W74 PolarHBondContact O-N 2.76Å; W74-R78 PolarHBondContact O-N 3.27Å
75	R	67.9	Low	55.8	Low	142 Å²	142	123.8 Å²	123.8	54%	0.536	58%	0.583	S	S	.	*	H	α-helix	trans	-72.5	-28.7	171.7	-75.9	168.3	176.6	156.8	0.5	113.2	Q71 Q72 D73	Q71-R75 VanDerWaalsContact O-CB 3.28Å; Q71-R75 WeakPolarHBondContact O-CB 3.28Å; Q71-R75 WeakPolarHBondContact O-CD 3.36Å; Q71-R75 WeakPolarHBondContact O-CG 3.42Å; Q71-R75 PolarHBondContact O-N 3.37Å; Q72-R75 CarbonylContact O-C 3.53Å; Q72-R75 PolarHBondContact O-N 2.8Å; D73-R75 VanDerWaalsContact C-N 3.34Å; D73-R75 PolarHBondContact O-N 2.92Å
76	R	61.4	Low	53.7	Low	182 Å²	182	126.4 Å²	126.4	69%	0.687	60%	0.602	S	S	*	*	H	α-helix	trans	-86.8	-24.3	178.6	-71.9	165.8	-170.8	-102.9	7.5	113.3	Q72 D73	Q72-R76 VanDerWaalsContact O-CB 3.3Å; Q72-R76 WeakPolarHBondContact O-CB 3.35Å; Q72-R76 WeakPolarHBondContact O-CD 3.48Å; Q72-R76 WeakPolarHBondContact O-CG 3.42Å; Q72-R76 PolarHBondContact O-N 3.49Å; D73-R76 CarbonylContact O-C 3.59Å; D73-R76 PolarHBondContact O-N 3.49Å; D73-R76 VanDerWaalsContact O-N 3.11Å
77	T	56.8	Low	51.5	Low	95 Å²	95	127.3 Å²	127.3	58%	0.583	61%	0.61	S	S	*	*	H	α-helix	trans	-97.7	-11.4	179.9	53.5	0	0	0	0	113.6	D73	D73-T77 WeakPolarHBondContact O-CB 3.42Å; D73-T77 WeakPolarHBondContact O-CG2 3.45Å; D73-T77 PolarHBondContact O-N 2.82Å; D73-T77 PolarHBondContact O-OG1 2.8Å
78	R	50.5	Low	49.4	Very low	155 Å²	155	132 Å²	132	59%	0.585	63%	0.627	S	S	*	*	S	Bend	trans	-62.4	134.7	156.7	-91.3	-174.7	170.4	-112.7	-0	109.5	W74 M80	W74-R78 PolarHBondContact O-N 3.27Å; R78-M80 PolarHBondContact O-N 2.73Å; R78-M80 VanDerWaalsContact O-N 3.16Å
79	P	36.8	Very low	47	Very low	129 Å²	129	136.9 Å²	136.9	84%	0.838	64%	0.641	S	S	*	*			trans	-61.8	116.1	165.6	-18.5	31.3	0	0	0	109.7	K81	P79-K81 PolarHBondContact O-N 3.44Å
80	M	34.7	Very low	44.8	Very low	138 Å²	138	140.3 Å²	140.3	68%	0.68	66%	0.659	S	S	*	*			trans	-86.9	93.5	167.9	-76.1	-168.2	173.2	0	0	109.7	R78	R78-M80 PolarHBondContact O-N 2.73Å; R78-M80 VanDerWaalsContact O-N 3.16Å
81	K	34.7	Very low	42.8	Very low	110 Å²	110	142 Å²	142	48%	0.478	67%	0.665	S	S	.	*			trans	-79	156.6	139.9	-83.4	-165.2	155.5	-150.8	0	108.1	P79 E315 D319	P79-K81 PolarHBondContact O-N 3.44Å; K81-E315 PolarHBondContact NZ-O 2.93Å; K81-D319 IonicContact NZ-OD1 3.68Å; K81-D319 PolarHBondContact NZ-OD1 3.24Å
82	F	29.3	Very low	40.8	Very low	158 Å²	158	144 Å²	144	69%	0.693	68%	0.679	S	S	*	*			trans	56.3	62.9	-168	-73.9	-85.4	0	0	0	115.5
83	Q	27.5	Very low	39.2	Very low	143 Å²	143	145.7 Å²	145.7	67%	0.668	70%	0.697	S	S	*	*			trans	-86.5	120.4	143.8	-170.8	173.4	69.8	0	0	108.5	T85	Q83-T85 VanDerWaalsContact C-N 3.26Å; Q83-T85 PolarHBondContact O-N 3.26Å
84	W	26.4	Very low	37.2	Very low	246 Å²	246	146.9 Å²	146.9	93%	0.932	71%	0.708	S	S	*	*			trans	-67.2	81.9	175.8	-123.9	18.6	0	0	0	110.1	S86	W84-S86 PolarHBondContact O-N 3.24Å
85	T	29.3	Very low	35.7	Very low	96 Å²	96	142.6 Å²	142.6	59%	0.589	70%	0.699	S	S	*	*			trans	-81.6	111.4	166.5	57	0	0	0	0	107.9	Q83 K87	Q83-T85 VanDerWaalsContact C-N 3.26Å; Q83-T85 PolarHBondContact O-N 3.26Å; T85-K87 PolarHBondContact O-N 2.8Å
86	S	27.4	Very low	34.1	Very low	117 Å²	117	140.8 Å²	140.8	82%	0.818	71%	0.708	S	S	*	*			trans	-68.4	75.5	165.9	-69.7	0	0	0	0	108.6	W84 K88	W84-S86 PolarHBondContact O-N 3.24Å; S86-K88 VanDerWaalsContact C-N 3.29Å; S86-K88 PolarHBondContact O-N 2.88Å
87	K	26.7	Very low	32.7	Very low	191 Å²	191	136.3 Å²	136.3	83%	0.83	70%	0.704	S	S	*	*			trans	-69.8	92.8	178.8	-158.7	170	-173.2	178	0	106.8	T85	T85-K87 PolarHBondContact O-N 2.8Å
88	K	26.8	Very low	31.9	Very low	175 Å²	175	136.9 Å²	136.9	76%	0.761	71%	0.71	S	S	*	*			trans	-44.6	147.5	176.6	-70.3	-175.1	172.8	-170.5	0	109.7	S86	S86-K88 VanDerWaalsContact C-N 3.29Å; S86-K88 PolarHBondContact O-N 2.88Å
89	R	26.5	Very low	31.1	Very low	214 Å²	214	134.5 Å²	134.5	81%	0.808	72%	0.717	S	S	*	*			trans	-51.3	146.7	163.1	-69.3	-178.4	174.6	-172.2	-2.4	108.9	D91	R89-D91 VanDerWaalsContact C-N 3.32Å; R89-D91 PolarHBondContact O-N 2.96Å
90	P	29.6	Very low	31	Very low	127 Å²	127	133.9 Å²	133.9	83%	0.825	71%	0.711	S	S	*	*			trans	-63.2	101.6	159.5	28.2	-31.1	0	0	0	107.2	D92	P90-D92 PolarHBondContact O-N 2.92Å; P90-D92 VanDerWaalsContact O-N 3.16Å
91	D	30.6	Very low	30.9	Very low	129 Å²	129	133.4 Å²	133.4	69%	0.69	72%	0.716	S	S	*	*			trans	-71.6	105.8	172.9	-69.3	-45.6	0	0	0	107.7	R89	R89-D91 VanDerWaalsContact C-N 3.32Å; R89-D91 PolarHBondContact O-N 2.96Å
92	D	30.5	Very low	30.9	Very low	146 Å²	146	132.3 Å²	132.3	78%	0.781	72%	0.721	S	S	*	*			trans	-67	119.5	-169.5	-147.9	-10.6	0	0	0	110.9	P90 T94	P90-D92 PolarHBondContact O-N 2.92Å; P90-D92 VanDerWaalsContact O-N 3.16Å; D92-T94 PolarHBondContact O-N 3.43Å
93	P	34.2	Very low	31.1	Very low	117 Å²	117	132.2 Å²	132.2	76%	0.76	73%	0.726	S	S	*	*			trans	-72.8	101.8	-177.7	29	-33.7	0	0	0	110.4
94	T	30.9	Very low	31.5	Very low	120 Å²	120	129.3 Å²	129.3	74%	0.736	72%	0.722	S	S	*	*			trans	-51.1	140.6	-178	44.3	0	0	0	0	114.5	D92	D92-T94 PolarHBondContact O-N 3.43Å
95	T	31.3	Very low	31.9	Very low	65 Å²	65	124.8 Å²	124.8	40%	0.399	72%	0.716	S	S	.	*			trans	82.2	116.7	143.8	57.5	0	0	0	0	122.3	S138 A139	T95-S138 WeakPolarHBondContact CB-OG 3.29Å; T95-S138 VanDerWaalsContact OG1-CA 3.3Å; T95-S138 WeakPolarHBondContact OG1-CA 3.43Å; T95-A139 VanDerWaalsContact O-CA 3.23Å; T95-A139 WeakPolarHBondContact O-CA 3.14Å; T95-A139 VanDerWaalsContact O-CB 3.31Å; T95-A139 WeakPolarHBondContact O-CB 3.39Å; T95-A139 PolarHBondContact O-N 3.07Å; T95-A139 PolarHBondContact OG1-N 2.83Å
96	S	33.2	Very low	32.2	Very low	104 Å²	104	124.4 Å²	124.4	73%	0.727	72%	0.723	S	S	*	*				-146.1	161.1	112.5	69.5	0	0	0	0	110.4
97	S	32.5	Very low	32.5	Very low	87 Å²	87	125.2 Å²	125.2	61%	0.608	72%	0.717	S	S	*	*			trans	-133.1	175.2	-167.4	56.7	0	0	0	0	110.6
98	P	40.3	Very low	32.9	Very low	108 Å²	108	123.4 Å²	123.4	70%	0.701	71%	0.712	S	S	*	*			cis	-139.8	-166.7	1	43	-24.2	0	0	0	115.8
99	S	33.4	Very low	33.2	Very low	105 Å²	105	121.3 Å²	121.3	73%	0.734	71%	0.709	S	S	*	*			trans	76.4	152.5	151.8	72.7	0	0	0	0	118.8
100	T	34.4	Very low	33.7	Very low	115 Å²	115	116.5 Å²	116.5	71%	0.706	71%	0.708	S	S	*	*			cis	-156.6	134.5	17.8	-29.2	0	0	0	0	113
101	V	33.1	Very low	33.7	Very low	129 Å²	129	116.9 Å²	116.9	78%	0.782	71%	0.708	S	S	*	*			trans	58.6	146.1	139.9	165.8	0	0	0	0	121.4
102	S	33.9	Very low	33.9	Very low	86 Å²	86	116.1 Å²	116.1	60%	0.601	71%	0.71	S	S	*	*			cis	-177.7	176	-20.1	-83.7	0	0	0	0	111.2
103	I	35.4	Very low	34	Very low	156 Å²	156	114.1 Å²	114.1	80%	0.8	71%	0.708	S	S	*	*			trans	77.7	150.1	153.3	-69.5	145.1	0	0	0	118.2
104	S	34.3	Very low	33.9	Very low	83 Å²	83	115.4 Å²	115.4	58%	0.58	71%	0.707	S	S	*	*				169.1	173.3	-63.3	65	0	0	0	0	111.5
105	N	35.1	Very low	34.1	Very low	151 Å²	151	116.1 Å²	116.1	81%	0.807	71%	0.707	S	S	*	*			trans	77.4	155.2	173.9	-40.8	-8.4	0	0	0	113.4
106	A	36.1	Very low	34.1	Very low	87 Å²	87	120 Å²	120	72%	0.719	73%	0.725	S	S	*	*			cis	-161.9	171.5	9.4	0	0	0	0	0	108.6
107	L	34.6	Very low	34	Very low	135 Å²	135	120.7 Å²	120.7	71%	0.707	73%	0.725	S	S	*	*			cis	-170	152.4	-16	-141.3	68.7	0	0	0	109.1
108	E	34.2	Very low	33.9	Very low	152 Å²	152	121.4 Å²	121.4	71%	0.71	73%	0.73	S	S	*	*			trans	48.3	157.2	142.8	-76.9	179.8	-137.9	0	0	123.6
109	N	32.9	Very low	33.3	Very low	131 Å²	131	121.1 Å²	121.1	70%	0.701	73%	0.73	S	S	*	*			cis	-166	169.9	-13	-121.5	-24.7	0	0	0	111.6
110	S	36.2	Very low	33.1	Very low	113 Å²	113	122.9 Å²	122.9	79%	0.79	73%	0.73	S	S	*	*			trans	97.8	144.1	155	-44	0	0	0	0	121.9
111	T	29.8	Very low	32.9	Very low	136 Å²	136	121.5 Å²	121.5	83%	0.834	72%	0.721	S	S	*	*			trans	-126.1	-169.5	176.2	59.3	0	0	0	0	108.6
112	P	36.6	Very low	32.6	Very low	112 Å²	112	120.8 Å²	120.8	73%	0.727	71%	0.713	S	S	*	*			cis	-142.7	179	-1.4	43.1	-24	0	0	0	118.1
113	S	32.5	Very low	32.3	Very low	105 Å²	105	121.6 Å²	121.6	73%	0.734	72%	0.719	S	S	*	*			trans	87.1	139.3	139	-133.5	0	0	0	0	124.4
114	L	31.5	Very low	31.9	Very low	143 Å²	143	119 Å²	119	75%	0.749	72%	0.715	S	S	*	*			trans	73.7	117	151.2	-74.8	161.1	0	0	0	123.5
115	N	34.7	Very low	31.7	Very low	135 Å²	135	120.2 Å²	120.2	72%	0.722	72%	0.723	S	S	*	*			trans	78.1	122.8	139.1	-71	-4.8	0	0	0	123.4
116	N	31.6	Very low	31.9	Very low	146 Å²	146	117.6 Å²	117.6	78%	0.781	71%	0.714	S	S	*	*			trans	76.4	116.8	142.5	-85.3	0.2	0	0	0	122.3
117	V	30.3	Very low	31.5	Very low	120 Å²	120	122.1 Å²	122.1	73%	0.727	72%	0.718	S	S	*	*			trans	84.9	129.6	132.2	174.4	0	0	0	0	118.6
118	S	30.3	Very low	31.4	Very low	101 Å²	101	120.6 Å²	120.6	71%	0.706	72%	0.719	S	S	*	*			trans	70.4	102.8	161.5	-68.3	0	0	0	0	120.5
119	S	28.7	Very low	31.3	Very low	103 Å²	103	121.2 Å²	121.2	72%	0.72	73%	0.726	S	S	*	*			trans	83.3	163	130.2	81.3	0	0	0	0	120.4
120	I	29.3	Very low	31.3	Very low	142 Å²	142	119.9 Å²	119.9	73%	0.728	73%	0.727	S	S	*	*			trans	76.6	88.2	159	-63.4	165.8	0	0	0	117.8
121	T	29.3	Very low	31.2	Very low	85 Å²	85	119.4 Å²	119.4	52%	0.521	72%	0.724	S	S	.	*			trans	73.1	137.6	132.2	66.7	0	0	0	0	124.2	I1616	T121-I1616 HydrophobicContact CG2-CD1 3.65Å; T121-I1616 HydrophobicContact CG2-CG1 4.19Å; T121-I1616 HydrophobicContact CG2-CG2 4.05Å
122	N	27.6	Very low	31.4	Very low	115 Å²	115	117.6 Å²	117.6	62%	0.615	72%	0.722	S	S	*	*			trans	77.6	148.1	134.4	-78.2	-5.4	0	0	0	124.4
123	S	27.2	Very low	31.3	Very low	103 Å²	103	116.2 Å²	116.2	72%	0.72	72%	0.721	S	S	*	*			trans	71.8	102.9	149.9	43.3	0	0	0	0	121.6
124	S	28.3	Very low	31.4	Very low	101 Å²	101	118 Å²	118	71%	0.706	73%	0.727	S	S	*	*				58	115.8	125.3	64.7	0	0	0	0	122.8
125	S	29.8	Very low	31.4	Very low	108 Å²	108	115.3 Å²	115.3	76%	0.755	72%	0.72	S	S	*	*				65.6	-176.3	129.7	78.8	0	0	0	0	118.4
126	P	38.8	Very low	31.1	Very low	97 Å²	97	114.8 Å²	114.8	63%	0.63	72%	0.722	S	S	*	*			cis	-124.3	-155.4	-44.2	22.5	-0.7	0	0	0	112.6
127	F	27.8	Very low	31	Very low	181 Å²	181	111.2 Å²	111.2	79%	0.794	71%	0.713	S	S	*	*			trans	80.8	137.2	173	-65.5	-97.8	0	0	0	116.6
128	S	32	Very low	31	Very low	104 Å²	104	108.3 Å²	108.3	73%	0.727	70%	0.698	S	S	*	*			cis	109.6	134.2	7.9	-68.8	0	0	0	0	114.4
129	L	32.4	Very low	30.9	Very low	164 Å²	164	105.4 Å²	105.4	86%	0.859	68%	0.68	S	S	*	*			trans	174.3	110.4	151.9	-93.5	159.1	0	0	0	105.8
130	S	32.6	Very low	30.9	Very low	103 Å²	103	107.6 Å²	107.6	72%	0.72	68%	0.683	S	S	*	*				102.6	158.2	75.1	76.6	0	0	0	0	110.8
131	S	34.2	Very low	30.9	Very low	104 Å²	104	107.9 Å²	107.9	73%	0.727	68%	0.684	S	S	*	*			cis	-156.4	160.9	12.1	61.4	0	0	0	0	113.6
132	A	35	Very low	31.2	Very low	97 Å²	97	108.5 Å²	108.5	80%	0.802	69%	0.69	S	S	*	*			trans	73.3	145	149	0	0	0	0	0	119.8
133	A	34.6	Very low	31.2	Very low	83 Å²	83	111.9 Å²	111.9	69%	0.686	70%	0.699	S	S	*	*			cis	-168.2	145.6	-13.4	0	0	0	0	0	113.5
134	T	32.7	Very low	31.2	Very low	143 Å²	143	113 Å²	113	88%	0.877	70%	0.702	S	S	*	*			trans	65.3	141.3	137	-59.6	0	0	0	0	121.2
135	S	31.5	Very low	31.2	Very low	86 Å²	86	112.8 Å²	112.8	60%	0.601	70%	0.7	S	S	*	*			cis	-176.7	152.1	-20.6	-174.5	0	0	0	0	112.5
136	T	29.5	Very low	31.2	Very low	124 Å²	124	112.6 Å²	112.6	76%	0.761	69%	0.69	S	S	*	*			trans	58.3	136.6	144.6	42.7	0	0	0	0	125.3
137	A	29.7	Very low	30.8	Very low	71 Å²	71	113.6 Å²	113.6	59%	0.587	70%	0.695	S	S	*	*			trans	75	154.5	131.2	0	0	0	0	0	121.2
138	S	29.3	Very low	31	Very low	59 Å²	59	107.4 Å²	107.4	41%	0.413	68%	0.677	S	S	.	*			cis	-162.4	138.9	-22.4	-97	0	0	0	0	114.1	T95	T95-S138 WeakPolarHBondContact CB-OG 3.29Å; T95-S138 VanDerWaalsContact OG1-CA 3.3Å; T95-S138 WeakPolarHBondContact OG1-CA 3.43Å
139	A	28.3	Very low	30.9	Very low	41 Å²	41	108.5 Å²	108.5	34%	0.339	68%	0.679	S	S	.	*			trans	72.6	157	140.6	0	0	0	0	0	124.2	T95	T95-A139 VanDerWaalsContact O-CA 3.23Å; T95-A139 WeakPolarHBondContact O-CA 3.14Å; T95-A139 VanDerWaalsContact O-CB 3.31Å; T95-A139 WeakPolarHBondContact O-CB 3.39Å; T95-A139 PolarHBondContact O-N 3.07Å; T95-A139 PolarHBondContact OG1-N 2.83Å
140	I	29.6	Very low	30.8	Very low	149 Å²	149	108 Å²	108	76%	0.764	68%	0.677	S	S	*	*			trans	72.2	113.8	152	-69.8	152.9	0	0	0	116.8
141	I	29.1	Very low	31.2	Very low	147 Å²	147	110 Å²	110	75%	0.754	68%	0.676	S	S	*	*				66	134.4	63.4	-63.4	177.9	0	0	0	112.2
142	P	35.7	Very low	31.3	Very low	99 Å²	99	110.9 Å²	110.9	64%	0.643	68%	0.678	S	S	*	*			cis	-140.6	-170.2	-14	39.5	-19.1	0	0	0	116.3
143	F	26.4	Very low	31.4	Very low	185 Å²	185	109.7 Å²	109.7	81%	0.811	66%	0.656	S	S	*	*			trans	63.5	141.8	139.8	-84.7	-56.8	0	0	0	124.3
144	T	27.7	Very low	31.3	Very low	128 Å²	128	111.4 Å²	111.4	79%	0.785	65%	0.653	S	S	*	*			trans	67.7	148.4	147.5	48.2	0	0	0	0	119.5
145	S	28.6	Very low	31.1	Very low	95 Å²	95	108.2 Å²	108.2	66%	0.664	63%	0.631	S	S	*	*			cis	-165	150.1	-9.9	47.1	0	0	0	0	112.7
146	N	29.7	Very low	31.2	Very low	104 Å²	104	109.3 Å²	109.3	56%	0.556	63%	0.626	S	S	*	*			trans	36	148.1	135	-62.1	32.9	0	0	0	123.8	I1238	N146-I1238 HydrophobicContact CB-CD1 3.81Å; N146-I1238 HydrophobicContact CB-CG1 4.39Å; N146-I1238 HydrophobicContact CB-CG2 4.46Å; N146-I1238 WeakPolarHBondContact OD1-CG2 3.38Å
147	V	29.8	Very low	31.3	Very low	118 Å²	118	109.9 Å²	109.9	72%	0.715	62%	0.62	S	S	*	*			trans	76.8	101.9	165.6	-160.6	0	0	0	0	114	I1238	V147-I1238 HydrophobicContact CG2-CD1 4.42Å
148	A	32.9	Very low	31.1	Very low	52 Å²	52	111.5 Å²	111.5	43%	0.43	62%	0.622	S	S	.	*			cis	86.3	160.7	35.4	0	0	0	0	0	115.5	I1238	A148-I1238 HydrophobicContact CB-CD1 4.17Å; A148-I1238 HydrophobicContact CB-CG1 4.32Å
149	T	30.4	Very low	31.1	Very low	126 Å²	126	112.9 Å²	112.9	77%	0.773	63%	0.632	S	S	*	*			trans	73.4	151.1	-171.7	81.3	0	0	0	0	114.2
150	N	30.2	Very low	30.9	Very low	153 Å²	153	121.3 Å²	121.3	82%	0.818	66%	0.655	S	S	*	*			cis	-143.1	164.7	12	-132.1	-29.6	0	0	0	114.5
151	H	39.5	Very low	31.3	Very low	147 Å²	147	120.9 Å²	120.9	68%	0.681	65%	0.653	S	S	*	*			trans	-82.7	166.8	178.4	-112.2	-51.9	0	0	0	112.1	H153	H151-H153 HydrophobicContact CB-CB 4.12Å; H151-H153 PolarHBondContact ND1-N 2.79Å
152	P	36.5	Very low	31.3	Very low	121 Å²	121	119.7 Å²	119.7	79%	0.786	66%	0.655	S	S	*	*				-122.9	153.5	74	2.1	21.2	0	0	0	114
153	H	36.7	Very low	30.8	Very low	72 Å²	72	123.2 Å²	123.2	33%	0.333	66%	0.662	S	S	.	*			cis	97.6	99.2	9.7	-155.1	16.9	0	0	0	114.8	H151 N155 Q1229	H151-H153 HydrophobicContact CB-CB 4.12Å; H151-H153 PolarHBondContact ND1-N 2.79Å; H153-N155 PolarHBondContact CE1-ND2 3.4Å; H153-N155 PolarHBondContact CE1-OD1 2.98Å; H153-N155 VanDerWaalsContact ND1-CG 3.32Å; H153-N155 PolarHBondContact ND1-ND2 3.02Å; H153-N155 PolarHBondContact ND1-OD1 3.47Å; H153-Q1229 PolarHBondContact O-NE2 3.27Å; H153-Q1229 PolarHBondContact O-OE1 2.85Å
154	L	32.5	Very low	30.8	Very low	120 Å²	120	118.4 Å²	118.4	63%	0.628	66%	0.656	S	S	*	*			trans	-150.7	1.4	-176.6	-114.4	171.9	0	0	0	118.3	V1227 S1228	L154-V1227 HydrophobicContact CD2-CG2 4.13Å; L154-S1228 VanDerWaalsContact C-OG 3.31Å; L154-S1228 PolarHBondContact O-OG 2.61Å
155	N	30.1	Very low	30.8	Very low	76 Å²	76	119.3 Å²	119.3	41%	0.406	66%	0.655	S	S	.	*			trans	53.7	-155.8	148.4	-41	-55.7	0	0	0	117.5	H153 Q1229 A1230	H153-N155 PolarHBondContact CE1-ND2 3.4Å; H153-N155 PolarHBondContact CE1-OD1 2.98Å; H153-N155 VanDerWaalsContact ND1-CG 3.32Å; H153-N155 PolarHBondContact ND1-ND2 3.02Å; H153-N155 PolarHBondContact ND1-OD1 3.47Å; N155-Q1229 PolarHBondContact ND2-OE1 2.97Å; N155-A1230 PolarHBondContact ND2-N 3.42Å; N155-A1230 VanDerWaalsContact ND2-N 3.1Å
156	H	33	Very low	31	Very low	108 Å²	108	120.3 Å²	120.3	50%	0.5	66%	0.657	S	S	.	*			cis	-92.6	-144.2	7.1	-159.6	18	0	0	0	115.2	S1228 Q1229	H156-S1228 VanDerWaalsContact CG-C 3.48Å; H156-Q1229 PolarHBondContact ND1-N 3.35Å
157	H	30.5	Very low	31	Very low	137 Å²	137	121.5 Å²	121.5	63%	0.634	67%	0.668	S	S	*	*			trans	-163.9	-172	-161.6	-177.6	-139	0	0	0	111.4
158	V	27.3	Very low	31.1	Very low	105 Å²	105	118.8 Å²	118.8	64%	0.636	66%	0.664	S	S	*	*			trans	78.6	121.2	171.2	-165.9	0	0	0	0	115.9
159	S	28.4	Very low	30.7	Very low	87 Å²	87	120.3 Å²	120.3	61%	0.608	69%	0.685	S	S	*	*			cis	103.2	148.4	11	-161.4	0	0	0	0	116.6
160	R	25.1	Very low	30.5	Very low	219 Å²	219	119 Å²	119	83%	0.826	68%	0.676	S	S	*	*			trans	70	119.6	179.9	-53.6	179.5	-176.7	-176.8	0.4	114.6
161	I	37.1	Very low	30.4	Very low	140 Å²	140	119.6 Å²	119.6	72%	0.718	68%	0.68	S	S	*	*				53.9	101.5	73.8	-57.2	174.2	0	0	0	110	Q163	I161-Q163 HydrophobicContact CG2-CB 4.46Å; I161-Q163 HydrophobicContact CG2-CG 3.93Å
162	P	29	Very low	29.8	Very low	122 Å²	122	116 Å²	116	79%	0.792	68%	0.683	S	S	*	*				-85.2	142.9	85.8	-26.9	37.5	0	0	0	113.3
163	Q	26.2	Very low	29.3	Very low	173 Å²	173	115.4 Å²	115.4	81%	0.808	68%	0.682	S	S	*	*			cis	65.4	152.4	46.7	-75.7	-163.6	-10	0	0	114.5	I161	I161-Q163 HydrophobicContact CG2-CB 4.46Å; I161-Q163 HydrophobicContact CG2-CG 3.93Å
164	A	25.9	Very low	29	Very low	83 Å²	83	119.3 Å²	119.3	69%	0.686	70%	0.704	S	S	*	*			trans	66.6	101.8	174.2	0	0	0	0	0	114.6
165	I	27.2	Very low	29.4	Very low	148 Å²	148	118.8 Å²	118.8	76%	0.759	71%	0.708	S	S	*	*				70.4	100.1	72.7	-66.8	166.3	0	0	0	108.5
166	V	32.2	Very low	29.7	Very low	116 Å²	116	119.7 Å²	119.7	70%	0.703	72%	0.718	S	S	*	*				68.1	131.4	75.8	167.2	0	0	0	0	111.3
167	T	30.8	Very low	29.5	Very low	128 Å²	128	121.6 Å²	121.6	79%	0.785	73%	0.731	S	S	*	*				-175.4	143.4	127.2	22.5	0	0	0	0	107.6	T170	T167-T170 HydrophobicContact CG2-CG2 4.34Å
168	G	31.1	Very low	29.7	Very low	61 Å²	61	122 Å²	122	63%	0.629	74%	0.737	S	S	*	*			cis	171.8	159.1	-4.3	0	0	0	0	0	109.2
169	G	25.1	Very low	29.7	Very low	84 Å²	84	124.6 Å²	124.6	87%	0.866	75%	0.746	S	S	*	*			cis	76.1	22.9	-3.2	0	0	0	0	0	115.1
170	T	25.7	Very low	30.5	Very low	98 Å²	98	125.2 Å²	125.2	60%	0.601	75%	0.75	S	S	*	*			trans	-96.3	145.6	154	44.7	0	0	0	0	108.9	T167	T167-T170 HydrophobicContact CG2-CG2 4.34Å
171	N	27.5	Very low	31.3	Very low	166 Å²	166	119.7 Å²	119.7	89%	0.888	74%	0.743	S	S	*	*			trans	68.4	129.6	-178.6	-44.8	-24.4	0	0	0	114.7
172	G	27.2	Very low	31.1	Very low	72 Å²	72	119 Å²	119	74%	0.742	75%	0.745	S	S	*	*			cis	163.8	152.1	-10	0	0	0	0	0	112.8
173	S	26.9	Very low	31.1	Very low	109 Å²	109	118.9 Å²	118.9	76%	0.762	75%	0.747	S	S	*	*			trans	58	109.7	162.4	-157.9	0	0	0	0	119.9
174	L	31.2	Very low	31.3	Very low	153 Å²	153	114.5 Å²	114.5	80%	0.801	74%	0.741	S	S	*	*				19.4	157.9	105.7	-56.2	168.6	0	0	0	118.9
175	P	39.6	Very low	31.5	Very low	110 Å²	110	115.1 Å²	115.1	71%	0.714	75%	0.746	S	S	*	*			cis	-135.7	-128.3	-41.5	39.6	-18.9	0	0	0	108.1
176	P	37.1	Very low	31.6	Very low	95 Å²	95	112.9 Å²	112.9	62%	0.617	75%	0.749	S	S	*	*			cis	-130.9	171.8	-38.3	37.5	-20.7	0	0	0	115.9
177	L	28	Very low	31.4	Very low	148 Å²	148	112.4 Å²	112.4	78%	0.775	76%	0.758	S	S	*	*			trans	60.9	139.9	140.5	-71.9	163	0	0	0	123.9
178	L	35.8	Very low	31.8	Very low	144 Å²	144	112.7 Å²	112.7	75%	0.754	76%	0.759	S	S	*	*			trans	6.7	148.6	134.3	-55.5	175.5	0	0	0	118.4
179	I	26.3	Very low	32.1	Very low	161 Å²	161	115 Å²	115	83%	0.826	76%	0.763	S	S	*	*				-163.6	153	71.6	-85.2	168.3	0	0	0	111.1
180	S	45.5	Very low	32.2	Very low	100 Å²	100	118 Å²	118	70%	0.699	76%	0.759	S	S	*	*			trans	-82.9	-147.6	173.2	-40.2	0	0	0	0	111.1
181	P	41.6	Very low	32.4	Very low	103 Å²	103	120.5 Å²	120.5	67%	0.669	77%	0.767	S	S	*	*			cis	-127.6	-177.9	-32.6	32	-11.5	0	0	0	113
182	T	33.1	Very low	32.4	Very low	124 Å²	124	117.7 Å²	117.7	76%	0.761	76%	0.76	S	S	*	*			trans	45.2	138.4	145.6	51.2	0	0	0	0	123.3
183	S	29.4	Very low	32.7	Very low	120 Å²	120	117.8 Å²	117.8	84%	0.839	76%	0.761	S	S	*	*			trans	74.6	143.9	138.2	178.8	0	0	0	0	118.5
184	A	30.8	Very low	32.9	Very low	82 Å²	82	122.8 Å²	122.8	68%	0.678	77%	0.769	S	S	*	*			cis	-169.9	173.9	-23.1	0	0	0	0	0	109.4
185	A	29.1	Very low	32.9	Very low	96 Å²	96	120 Å²	120	79%	0.793	77%	0.769	S	S	*	*			trans	76.5	140.4	148.1	0	0	0	0	0	121.8
186	A	29.5	Very low	32.5	Very low	101 Å²	101	118.3 Å²	118.3	84%	0.835	77%	0.771	S	S	*	*			trans	69.1	104.2	143.4	0	0	0	0	0	121.4
187	A	28.4	Very low	32.5	Very low	106 Å²	106	119.6 Å²	119.6	88%	0.876	78%	0.779	S	S	*	*				-153.2	124.8	115.3	0	0	0	0	0	111.8
188	T	37.9	Very low	32.5	Very low	134 Å²	134	121.9 Å²	121.9	82%	0.822	79%	0.788	S	S	*	*			trans	-79.4	168.3	169	4.9	0	0	0	0	110.7
189	P	38.8	Very low	32.3	Very low	109 Å²	109	120 Å²	120	71%	0.708	79%	0.788	S	S	*	*				-159.2	162.8	54.3	44.5	-22.1	0	0	0	122
190	L	26.8	Very low	32.8	Very low	147 Å²	147	117.7 Å²	117.7	77%	0.77	78%	0.783	S	S	*	*			trans	76.7	144.1	138.1	-104.7	66.4	0	0	0	124.7
191	I	29.6	Very low	32	Very low	150 Å²	150	117.7 Å²	117.7	77%	0.769	78%	0.783	S	S	*	*			trans	79.8	134.1	151.8	-65.9	158.2	0	0	0	119.3
192	S	28.4	Very low	31.4	Very low	107 Å²	107	119.4 Å²	119.4	75%	0.748	79%	0.792	S	S	*	*			cis	-167.4	141.1	-38.2	64.5	0	0	0	0	112.1
193	G	32.9	Very low	31.3	Very low	75 Å²	75	117.3 Å²	117.3	77%	0.773	79%	0.794	S	S	*	*			trans	75.8	167.2	161.1	0	0	0	0	0	115.9
194	K	31.8	Very low	31.7	Very low	213 Å²	213	117 Å²	117	93%	0.926	79%	0.792	S	S	*	*			cis	-164.3	159.9	-10.1	-103.4	-178	176	178.4	0	105.8
195	A	30.5	Very low	32.2	Very low	96 Å²	96	118.1 Å²	118.1	79%	0.793	79%	0.793	S	S	*	*			cis	-176.5	159.6	-28	0	0	0	0	0	106.8
196	G	30.8	Very low	32.2	Very low	74 Å²	74	120.5 Å²	120.5	76%	0.763	79%	0.79	S	S	*	*			trans	116.8	87.4	163.7	0	0	0	0	0	116.8
197	P	38.4	Very low	32.3	Very low	122 Å²	122	122 Å²	122	79%	0.792	79%	0.785	S	S	*	*			trans	-85.4	151.1	157.7	35.6	-31.7	0	0	0	110.7
198	M	28.1	Very low	32.4	Very low	195 Å²	195	123.2 Å²	123.2	96%	0.961	78%	0.781	S	S	*	*			trans	-160.4	122	152.4	-120.7	162.6	168.9	0	0	115
199	S	31.4	Very low	32.2	Very low	106 Å²	106	120.8 Å²	120.8	74%	0.741	77%	0.774	S	S	*	*			trans	-70	-174	163.5	-12.2	0	0	0	0	111.9
200	P	36.7	Very low	31.8	Very low	111 Å²	111	119.9 Å²	119.9	72%	0.721	78%	0.776	S	S	*	*			cis	-135.6	-145	-31	36.2	-15.1	0	0	0	110.2
201	S	27.4	Very low	31.9	Very low	101 Å²	101	119.2 Å²	119.2	71%	0.706	78%	0.778	S	S	*	*			trans	76	151.6	156.9	82.2	0	0	0	0	116.9
202	T	29	Very low	31.9	Very low	139 Å²	139	117.8 Å²	117.8	85%	0.853	78%	0.776	S	S	*	*			cis	-162.8	142.4	-19.9	15.6	0	0	0	0	106.6
203	G	32.2	Very low	32.1	Very low	79 Å²	79	120.6 Å²	120.6	81%	0.814	78%	0.782	S	S	*	*			trans	169.6	36.8	178.8	0	0	0	0	0	120
204	S	37.3	Very low	31.9	Very low	114 Å²	114	125.8 Å²	125.8	80%	0.797	79%	0.786	S	S	*	*			trans	-70.3	176.6	160.7	-36.7	0	0	0	0	110.1
205	P	40.7	Very low	31.6	Very low	105 Å²	105	123.7 Å²	123.7	68%	0.682	79%	0.785	S	S	*	*			cis	-142.5	-152.2	8.6	29.6	-1.8	0	0	0	113.8
206	I	30.6	Very low	31.3	Very low	146 Å²	146	123 Å²	123	75%	0.749	78%	0.779	S	S	*	*			trans	88.7	122.1	155.6	-63.3	161.4	0	0	0	116.8
207	N	30.8	Very low	31	Very low	133 Å²	133	125.2 Å²	125.2	71%	0.711	78%	0.778	S	S	*	*			cis	-170.8	159.4	-22.9	-122.8	-8	0	0	0	112.3
208	V	31.1	Very low	30.5	Very low	132 Å²	132	124.4 Å²	124.4	80%	0.8	78%	0.775	S	S	*	*			trans	60.4	129	148	173.2	0	0	0	0	117.5
209	A	33.8	Very low	30.4	Very low	83 Å²	83	121 Å²	121	69%	0.686	77%	0.771	S	S	*	*			cis	-146.6	143.5	2	0	0	0	0	0	108.3
210	A	28.9	Very low	30.3	Very low	90 Å²	90	120.9 Å²	120.9	74%	0.744	77%	0.767	S	S	*	*				73	124.2	58.2	0	0	0	0	0	112.1
211	T	29.6	Very low	29.8	Very low	132 Å²	132	123.1 Å²	123.1	81%	0.81	77%	0.768	S	S	*	*			cis	-160.1	172.3	5.9	-82.1	0	0	0	0	110.6
212	V	30.5	Very low	29.7	Very low	121 Å²	121	125.2 Å²	125.2	73%	0.733	77%	0.766	S	S	*	*			trans	108.9	90.6	166.2	-171.2	0	0	0	0	115.8
213	L	30.7	Very low	29.7	Very low	165 Å²	165	124 Å²	124	86%	0.864	76%	0.763	S	S	*	*			trans	54.4	126.9	139.2	-58.6	177.3	0	0	0	121.6
214	Q	28.7	Very low	29.5	Very low	184 Å²	184	125.4 Å²	125.4	86%	0.86	75%	0.751	S	S	*	*			trans	-57.5	139	156.6	-59.5	159.3	-30.7	0	0	110.7
215	N	25.7	Very low	29.1	Very low	169 Å²	169	128.1 Å²	128.1	90%	0.904	75%	0.749	S	S	*	*			trans	-157.1	164.3	138.6	-114.2	-31.5	0	0	0	112.6
216	A	24.6	Very low	28.5	Very low	81 Å²	81	130.4 Å²	130.4	67%	0.669	76%	0.755	S	S	*	*			trans	-92.1	165	-169.4	0	0	0	0	0	113.7
217	V	25.8	Very low	28.4	Very low	121 Å²	121	131.7 Å²	131.7	73%	0.733	75%	0.751	S	S	*	*			trans	74.6	137	154.8	171.5	0	0	0	0	117.4
218	S	26.2	Very low	28.2	Very low	105 Å²	105	130.5 Å²	130.5	73%	0.734	75%	0.753	S	S	*	*			trans	55.6	111	163.8	-63	0	0	0	0	119.1
219	S	26.9	Very low	28.1	Very low	125 Å²	125	135.8 Å²	135.8	87%	0.874	76%	0.758	S	S	*	*			trans	-99.5	121.4	149.3	-65	0	0	0	0	108.9
220	P	30.1	Very low	27.8	Very low	102 Å²	102	139.9 Å²	139.9	66%	0.662	77%	0.768	S	S	*	*			trans	-90.8	-144.3	177.9	39.2	-36.5	0	0	0	110.2
221	Q	26.1	Very low	28	Very low	158 Å²	158	143.1 Å²	143.1	74%	0.738	77%	0.773	S	S	*	*			trans	75.1	135.6	-176.4	-43.2	-62.7	-15.5	0	0	114.2
222	H	25.2	Very low	28.1	Very low	146 Å²	146	146 Å²	146	68%	0.676	77%	0.774	S	S	*	*			cis	-174.9	120.9	-30.3	-131	-96.3	0	0	0	102.7
223	S	28.9	Very low	28.2	Very low	113 Å²	113	147.5 Å²	147.5	79%	0.79	78%	0.776	S	S	*	*			trans	-153.3	84.2	173.3	-178.2	0	0	0	0	106.1
224	I	26.9	Very low	28.5	Very low	109 Å²	109	145 Å²	145	56%	0.559	77%	0.77	S	S	*	*				51.7	67	77.7	-46.9	178.6	0	0	0	110.5
225	F	29.8	Very low	29	Very low	170 Å²	170	141.2 Å²	141.2	75%	0.746	76%	0.761	S	S	*	*			trans	-163.1	42	137.1	-117	-65.4	0	0	0	114.2	R227	F225-R227 HydrophobicContact CD1-CG 4.17Å
226	D	27.3	Very low	29.2	Very low	153 Å²	153	139.7 Å²	139.7	82%	0.818	75%	0.753	S	S	*	*			trans	-75.9	126.1	166	-159.1	-27.7	0	0	0	109.8	S228	D226-S228 PolarHBondContact O-N 2.61Å
227	R	28.8	Very low	29.4	Very low	174 Å²	174	141.2 Å²	141.2	66%	0.657	75%	0.754	S	S	*	*			trans	-94.7	51.3	-158.7	-85.1	-177.5	152.4	-160.4	-4.2	114.1	F225 R229	F225-R227 HydrophobicContact CD1-CG 4.17Å; R227-R229 PolarHBondContact O-N 2.75Å
228	S	27.7	Very low	29.5	Very low	107 Å²	107	139.6 Å²	139.6	75%	0.748	75%	0.749	S	S	*	*			trans	-80	41.8	176.6	56.3	0	0	0	0	114.8	D226	D226-S228 PolarHBondContact O-N 2.61Å
229	R	27.6	Very low	29.6	Very low	243 Å²	243	142.4 Å²	142.4	92%	0.917	75%	0.754	S	S	*	*			trans	-158.1	87.1	171	-109	156.6	-151.1	-120.9	4.4	114.2	R227	R227-R229 PolarHBondContact O-N 2.75Å
230	L	29	Very low	29.7	Very low	170 Å²	170	140 Å²	140	89%	0.89	74%	0.742	S	S	*	*			trans	-133.7	85.5	155.4	-161.9	79.7	0	0	0	110.8
231	N	31.4	Very low	29.6	Very low	158 Å²	158	140 Å²	140	85%	0.845	74%	0.744	S	S	*	*			trans	-157	133.9	162.4	-130.1	-25.2	0	0	0	111.4
232	K	32.2	Very low	29.7	Very low	191 Å²	191	137.3 Å²	137.3	83%	0.83	74%	0.743	S	S	*	*			trans	63.4	69.3	169.9	-64.1	-166.8	173	-174.1	0	120.9
233	I	32.9	Very low	29.9	Very low	154 Å²	154	135 Å²	135	79%	0.79	74%	0.744	S	S	*	*				-23.5	150	109.6	-84.4	168.3	0	0	0	114.4
234	P	36.1	Very low	29.9	Very low	112 Å²	112	134.8 Å²	134.8	73%	0.727	74%	0.742	S	S	*	*			cis	-136.5	-138.5	-15.8	37.5	-12.4	0	0	0	113.2
235	P	40.8	Very low	30.3	Very low	105 Å²	105	134.8 Å²	134.8	68%	0.682	75%	0.749	S	S	*	*				-129.7	-175.5	-110.7	43.4	-24	0	0	0	115.3
236	N	28.8	Very low	30.2	Very low	137 Å²	137	131.4 Å²	131.4	73%	0.733	75%	0.746	S	S	*	*				-176.3	152.1	119.8	-112.9	2.4	0	0	0	115.6
237	T	28.5	Very low	30.5	Very low	112 Å²	112	131.3 Å²	131.3	69%	0.687	75%	0.746	S	S	*	*			trans	9.3	151.8	143.9	59.6	0	0	0	0	120.9
238	S	28.8	Very low	30.5	Very low	88 Å²	88	127.7 Å²	127.7	62%	0.615	75%	0.753	S	S	*	*			cis	165.3	173	-10.3	57.4	0	0	0	0	107
239	L	27.9	Very low	30.8	Very low	163 Å²	163	126.4 Å²	126.4	85%	0.853	75%	0.749	S	S	*	*			trans	67.5	150.5	172.3	-84.3	77.4	0	0	0	114.7
240	A	28.9	Very low	31.2	Very low	76 Å²	76	121.6 Å²	121.6	63%	0.628	74%	0.742	S	S	*	*			cis	-158.1	166.9	-12.5	0	0	0	0	0	112.2
241	S	28.5	Very low	31.6	Very low	100 Å²	100	120.1 Å²	120.1	70%	0.699	74%	0.735	S	S	*	*			trans	52.6	117.1	138.9	64.8	0	0	0	0	121.9
242	S	28	Very low	31.9	Very low	102 Å²	102	117.9 Å²	117.9	71%	0.713	72%	0.723	S	S	*	*				67.9	133	126.1	66.4	0	0	0	0	122.5
243	S	30	Very low	32.3	Very low	98 Å²	98	117 Å²	117	69%	0.685	72%	0.719	S	S	*	*			trans	55.7	98.5	142.2	59.8	0	0	0	0	119.9
244	S	28.4	Very low	32.7	Very low	109 Å²	109	114.9 Å²	114.9	76%	0.762	72%	0.715	S	S	*	*				9.3	150.8	117.5	61	0	0	0	0	120.2
245	P	35.6	Very low	32.5	Very low	109 Å²	109	116.3 Å²	116.3	71%	0.708	72%	0.715	S	S	*	*			cis	-136.7	-161.1	-37.6	40.1	-22.5	0	0	0	111.5
246	S	27.7	Very low	32.1	Very low	98 Å²	98	119.1 Å²	119.1	69%	0.685	72%	0.719	S	S	*	*			trans	72	145.9	157.2	50.5	0	0	0	0	121.3
247	D	32.8	Very low	32.4	Very low	151 Å²	151	120 Å²	120	81%	0.807	72%	0.719	S	S	*	*			trans	67.5	86.1	147	-59.4	-4.7	0	0	0	123.2
248	A	29.6	Very low	32.6	Very low	98 Å²	98	124.8 Å²	124.8	81%	0.81	73%	0.725	S	S	*	*				79	161.2	106.1	0	0	0	0	0	123.2
249	A	34.4	Very low	32.8	Very low	80 Å²	80	129.8 Å²	129.8	66%	0.661	74%	0.738	S	S	*	*			trans	84	91.3	154.3	0	0	0	0	0	121.4
250	N	35.7	Very low	33	Very low	142 Å²	142	126.3 Å²	126.3	76%	0.759	73%	0.727	S	S	*	*				86.6	145	117.5	-66	-13	0	0	0	122.9
251	N	36.4	Very low	33.5	Very low	140 Å²	140	129.9 Å²	129.9	75%	0.749	73%	0.734	S	S	*	*			trans	79.3	135.1	145.2	-73.1	-0.7	0	0	0	120.3
252	D	38	Very low	34	Very low	111 Å²	111	133.1 Å²	133.1	59%	0.594	74%	0.742	S	S	*	*			cis	-166.1	168.1	-15.9	-154.4	-2.4	0	0	0	113.1
253	K	40.2	Very low	34.6	Very low	172 Å²	172	131.6 Å²	131.6	75%	0.748	73%	0.732	S	S	*	*			trans	82.1	149.1	154.8	-76	160.4	179.2	83.9	0	120.6
254	P	40.8	Very low	35.1	Very low	110 Å²	110	132.2 Å²	132.2	71%	0.714	73%	0.727	S	S	*	*			trans	-135.8	-165.3	-151.7	40.4	-19.1	0	0	0	114.1
255	I	32.6	Very low	35.5	Very low	141 Å²	141	132.5 Å²	132.5	72%	0.723	73%	0.725	S	S	*	*				-177.1	113.2	123.3	-94.6	157.6	0	0	0	113.9
256	Q	32.4	Very low	35.7	Very low	165 Å²	165	138.4 Å²	138.4	77%	0.771	73%	0.733	S	S	*	*			trans	61.4	153.3	139.7	-55.5	179	0.3	0	0	124.4
257	Q	34.3	Very low	36.3	Very low	156 Å²	156	138.1 Å²	138.1	73%	0.729	73%	0.727	S	S	*	*			trans	64	114	166.1	-64	-168.1	19.3	0	0	117.3
258	R	34.4	Very low	36.5	Very low	212 Å²	212	137.2 Å²	137.2	80%	0.8	72%	0.721	S	S	*	*			cis	-147.6	112.9	15.4	-71.8	175.9	153.2	97.5	-7.1	112.5
259	H	32	Very low	36.8	Very low	193 Å²	193	138.9 Å²	138.9	89%	0.894	72%	0.722	S	S	*	*			trans	-94.1	111.9	153.6	-102.5	-114.6	0	0	0	108
260	S	32.3	Very low	37	Very low	90 Å²	90	143.4 Å²	143.4	63%	0.629	73%	0.729	S	S	*	*			trans	-156.9	17.7	-174.9	-165.9	0	0	0	0	116
261	I	39.8	Very low	37.1	Very low	151 Å²	151	140.3 Å²	140.3	77%	0.774	72%	0.723	S	S	*	*	S	Bend	trans	-125.4	-24.3	-174.4	-59.9	-178	0	0	0	113.3	S263	I261-S263 PolarHBondContact O-N 2.72Å
262	L	38.7	Very low	37.2	Very low	167 Å²	167	142.3 Å²	142.3	87%	0.874	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	7.9	-176.1	-69.2	173.3	0	0	0	115.5
263	S	39.7	Very low	37.3	Very low	70 Å²	70	142.8 Å²	142.8	49%	0.49	74%	0.737	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97	-17.5	-177.2	48	0	0	0	0	115.2	I261 T267	I261-S263 PolarHBondContact O-N 2.72Å; S263-T267 PolarHBondContact O-OG1 2.73Å
264	N	41.1	Very low	37.2	Very low	111 Å²	111	141.7 Å²	141.7	59%	0.594	74%	0.739	S	S	*	*	S	Bend	trans	-102.3	-10.1	-157.6	-68.4	16.5	0	0	0	115.7
265	V	38.2	Very low	37.2	Very low	116 Å²	116	144.6 Å²	144.6	70%	0.703	75%	0.749	S	S	*	*	S	Bend	trans	-104.7	-16.1	-177.7	-169.8	0	0	0	0	112.9	T267	V265-T267 PolarHBondContact O-N 3.3Å
266	R	39.1	Very low	37.4	Very low	232 Å²	232	140.6 Å²	140.6	88%	0.875	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-8	169.1	-145.1	177.8	-163.7	116.5	3.8	113.2
267	T	40.8	Very low	37.6	Very low	93 Å²	93	139 Å²	139	57%	0.571	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-18.5	-177.4	-41.6	0	0	0	0	112.6	S263 V265	S263-T267 PolarHBondContact O-OG1 2.73Å; V265-T267 PolarHBondContact O-N 3.3Å
268	L	35.1	Very low	37.9	Very low	131 Å²	131	143.3 Å²	143.3	69%	0.686	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-79.2	-25.9	-175.5	-147.5	73.5	0	0	0	113	Q270	L268-Q270 PolarHBondContact O-N 3.23Å
269	T	37.3	Very low	38	Very low	133 Å²	133	140 Å²	140	82%	0.816	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-79.2	3.2	-178.8	-23.9	0	0	0	0	114.1
270	Q	37.5	Very low	38.1	Very low	175 Å²	175	136.7 Å²	136.7	82%	0.818	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-131.9	11	-170.7	-148.3	169.8	23.6	0	0	114	L268	L268-Q270 PolarHBondContact O-N 3.23Å
271	A	39	Very low	38.9	Very low	77 Å²	77	136.6 Å²	136.6	64%	0.636	74%	0.743	S	S	*	*	S	Bend	trans	-128.6	12.8	-170.1	0	0	0	0	0	115.3
272	M	37.1	Very low	39.4	Very low	182 Å²	182	131.9 Å²	131.9	90%	0.897	73%	0.732	S	S	*	*			trans	-115.8	48.1	177.2	-76.5	-174.7	155.7	0	0	112.4
273	V	40.3	Very low	40	Very low	121 Å²	121	130.1 Å²	130.1	73%	0.733	72%	0.724	S	S	*	*			trans	-116.5	128.3	165.7	177.9	0	0	0	0	107
274	N	38.8	Very low	40.6	Very low	149 Å²	149	130.4 Å²	130.4	80%	0.797	72%	0.72	S	S	*	*			trans	70.8	95.9	-170.5	-45.1	-33.6	0	0	0	114.4
275	D	39.9	Very low	41	Very low	172 Å²	172	128.4 Å²	128.4	92%	0.92	71%	0.707	S	S	*	*				-160.2	168.4	88.9	-131.3	-38.3	0	0	0	112.7
276	G	38.4	Very low	41.9	Very low	56 Å²	56	128.7 Å²	128.7	58%	0.577	71%	0.705	S	S	*	*			trans	-80.7	164	-166.9	0	0	0	0	0	117.2
277	P	36.4	Very low	42.6	Very low	131 Å²	131	124.6 Å²	124.6	85%	0.851	69%	0.693	S	S	*	*			trans	-77.5	151.6	-170.9	32	-36.6	0	0	0	113.9
278	R	39.5	Very low	43.3	Very low	248 Å²	248	125.2 Å²	125.2	94%	0.936	69%	0.691	S	S	*	*			trans	-125.4	143.9	159.2	-74.7	-166.6	170.8	-142.8	-3.5	111
279	T	37.7	Very low	44.5	Very low	142 Å²	142	123 Å²	123	87%	0.871	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-79.7	140.3	-167	46.8	0	0	0	0	112.9
280	L	34.4	Very low	45.8	Very low	124 Å²	124	119.5 Å²	119.5	65%	0.649	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-73.8	140.9	178.3	-64.6	157.5	0	0	0	111.6	M285	L280-M285 HydrophobicContact CD1-CE 3.88Å; L280-M285 HydrophobicContact CD1-SD 3.82Å; L280-M285 HydrophobicContact CD2-CE 4.06Å; L280-M285 HydrophobicContact CG-CE 4.45Å
281	T	48.7	Very low	47.1	Very low	87 Å²	87	118.2 Å²	118.2	53%	0.534	66%	0.658	S	S	.	*	P	Polyproline II helix	trans	-88.2	146.4	167.4	12.9	0	0	0	0	110.3	D283 D284	T281-D283 PolarHBondContact O-N 3.15Å; T281-D284 WeakPolarHBondContact CB-OD2 3.3Å; T281-D284 PolarHBondContact O-N 2.8Å; T281-D284 PolarHBondContact OG1-OD2 3.01Å
282	G	50.6	Low	48.4	Very low	53 Å²	53	118.9 Å²	118.9	55%	0.546	65%	0.648	S	S	.	*	H	α-helix	trans	-60.1	-41.7	-171	0	0	0	0	0	113.9	D284 M285	G282-D284 PolarHBondContact O-N 2.85Å; G282-M285 WeakPolarHBondContact O-CB 3.39Å; G282-M285 PolarHBondContact O-N 3.15Å; G282-M285 VanDerWaalsContact O-N 3.09Å
283	D	51.3	Low	50	Low	130 Å²	130	114.8 Å²	114.8	70%	0.695	63%	0.626	S	S	*	*	H	α-helix	trans	-67.9	-21	-176.8	-49.1	-64.3	0	0	0	113.5	T281	T281-D283 PolarHBondContact O-N 3.15Å
284	D	51.4	Low	51.6	Low	76 Å²	76	117.3 Å²	117.3	41%	0.406	62%	0.623	S	S	.	*	H	α-helix	trans	-79.7	-25.3	175.7	-60.3	-65.1	0	0	0	111.8	T281 G282 M288	T281-D284 WeakPolarHBondContact CB-OD2 3.3Å; T281-D284 PolarHBondContact O-N 2.8Å; T281-D284 PolarHBondContact OG1-OD2 3.01Å; G282-D284 PolarHBondContact O-N 2.85Å; D284-M288 WeakPolarHBondContact O-CB 3.4Å; D284-M288 WeakPolarHBondContact O-CG 3.3Å; D284-M288 PolarHBondContact O-N 2.74Å
285	M	49.8	Very low	53.2	Low	69 Å²	69	112.9 Å²	112.9	34%	0.34	61%	0.607	S	S	.	*	H	α-helix	trans	-69.5	-45.6	174.6	-66.2	-82.2	76.8	0	0	111.6	L280 G282 K287 M288 V289	L280-M285 HydrophobicContact CD1-CE 3.88Å; L280-M285 HydrophobicContact CD1-SD 3.82Å; L280-M285 HydrophobicContact CD2-CE 4.06Å; L280-M285 HydrophobicContact CG-CE 4.45Å; G282-M285 WeakPolarHBondContact O-CB 3.39Å; G282-M285 PolarHBondContact O-N 3.15Å; G282-M285 VanDerWaalsContact O-N 3.09Å; M285-K287 PolarHBondContact O-N 3.28Å; M285-M288 HydrophobicContact CE-CB 4.34Å; M285-M288 HydrophobicContact CE-CE 4.32Å; M285-M288 HydrophobicContact CE-CG 4.45Å; M285-M288 HydrophobicContact CE-SD 3.6Å; M285-M288 VanDerWaalsContact CE-SD 3.6Å; M285-M288 PolarHBondContact O-N 3.12Å; M285-V289 WeakPolarHBondContact O-CB 3.24Å; M285-V289 VanDerWaalsContact O-CG2 3.29Å; M285-V289 WeakPolarHBondContact O-CG2 3.47Å; M285-V289 PolarHBondContact O-N 2.97Å
286	D	55.9	Low	55	Low	122 Å²	122	112.4 Å²	112.4	65%	0.652	59%	0.592	S	S	*	*	H	α-helix	trans	-63.7	-31.6	177.1	-77.5	-18.6	0	0	0	112.2	S290	D286-S290 WeakPolarHBondContact O-CB 3.5Å; D286-S290 PolarHBondContact O-N 3.2Å
287	K	54.9	Low	56.7	Low	145 Å²	145	115.4 Å²	115.4	63%	0.63	59%	0.59	S	S	*	*	H	α-helix	trans	-70	-48.6	171.4	-80.6	-177	177.4	174	0	112.9	M285 V289 S290 E291	M285-K287 PolarHBondContact O-N 3.28Å; K287-V289 VanDerWaalsContact C-N 3.28Å; K287-V289 PolarHBondContact O-N 3.41Å; K287-S290 PolarHBondContact O-N 2.93Å; K287-S290 VanDerWaalsContact O-N 3.1Å; K287-E291 PolarHBondContact O-N 3.4Å
288	M	55.5	Low	58.5	Low	107 Å²	107	116.3 Å²	116.3	53%	0.527	58%	0.582	S	S	.	*	H	α-helix	trans	-57.7	-43.3	175.3	-80.3	-175	61.6	0	0	111.2	D284 M285 S290 E291 E292	D284-M288 WeakPolarHBondContact O-CB 3.4Å; D284-M288 WeakPolarHBondContact O-CG 3.3Å; D284-M288 PolarHBondContact O-N 2.74Å; M285-M288 HydrophobicContact CE-CB 4.34Å; M285-M288 HydrophobicContact CE-CE 4.32Å; M285-M288 HydrophobicContact CE-CG 4.45Å; M285-M288 HydrophobicContact CE-SD 3.6Å; M285-M288 VanDerWaalsContact CE-SD 3.6Å; M285-M288 PolarHBondContact O-N 3.12Å; M288-S290 PolarHBondContact O-N 3.49Å; M288-E291 PolarHBondContact O-N 3.18Å; M288-E292 VanDerWaalsContact O-CB 3.27Å; M288-E292 WeakPolarHBondContact O-CB 3.38Å; M288-E292 PolarHBondContact O-N 3.01Å
289	V	60.1	Low	60.1	Low	84 Å²	84	110.1 Å²	110.1	51%	0.509	56%	0.564	S	S	.	*	H	α-helix	trans	-62.7	-41	175	171.1	0	0	0	0	111.1	M285 K287 E292 E293	M285-V289 WeakPolarHBondContact O-CB 3.24Å; M285-V289 VanDerWaalsContact O-CG2 3.29Å; M285-V289 WeakPolarHBondContact O-CG2 3.47Å; M285-V289 PolarHBondContact O-N 2.97Å; K287-V289 VanDerWaalsContact C-N 3.28Å; K287-V289 PolarHBondContact O-N 3.41Å; V289-E292 PolarHBondContact O-N 3.14Å; V289-E293 WeakPolarHBondContact O-CB 3.34Å; V289-E293 PolarHBondContact O-N 3.26Å
290	S	63.8	Low	61.9	Low	59 Å²	59	107.8 Å²	107.8	41%	0.413	54%	0.543	S	S	.	.	H	α-helix	trans	-69.8	-33.1	178.2	-161.6	0	0	0	0	114.1	D286 K287 M288 R294	D286-S290 WeakPolarHBondContact O-CB 3.5Å; D286-S290 PolarHBondContact O-N 3.2Å; K287-S290 PolarHBondContact O-N 2.93Å; K287-S290 VanDerWaalsContact O-N 3.1Å; M288-S290 PolarHBondContact O-N 3.49Å; S290-R294 PolarHBondContact O-N 3.01Å
291	E	64.8	Low	64	Low	148 Å²	148	107.3 Å²	107.3	69%	0.692	54%	0.536	S	S	*	.	H	α-helix	trans	-76.3	-37.3	172.8	-71.3	-167.8	129.9	0	0	112	K287 M288 R294 A295	K287-E291 PolarHBondContact O-N 3.4Å; M288-E291 PolarHBondContact O-N 3.18Å; E291-R294 WeakPolarHBondContact O-CB 3.31Å; E291-R294 PolarHBondContact O-N 3.43Å; E291-A295 WeakPolarHBondContact O-CB 3.15Å; E291-A295 PolarHBondContact O-N 3.39Å
292	E	67.6	Low	65.4	Low	91 Å²	91	112.4 Å²	112.4	43%	0.425	55%	0.545	S	S	.	.	H	α-helix	trans	-68.3	-39.5	174.5	-161.1	-172.6	144.1	0	0	111.7	M288 V289 R294 A295 R296	M288-E292 VanDerWaalsContact O-CB 3.27Å; M288-E292 WeakPolarHBondContact O-CB 3.38Å; M288-E292 PolarHBondContact O-N 3.01Å; V289-E292 PolarHBondContact O-N 3.14Å; E292-R294 VanDerWaalsContact C-N 3.29Å; E292-R294 PolarHBondContact O-N 2.91Å; E292-A295 PolarHBondContact O-N 3.37Å; E292-R296 WeakPolarHBondContact O-CB 3.36Å; E292-R296 VanDerWaalsContact O-CG 3.24Å; E292-R296 WeakPolarHBondContact O-CG 3.49Å; E292-R296 PolarHBondContact O-N 2.88Å; E292-R296 IonicContact OE1-CZ 3.18Å; E292-R296 IonicContact OE1-NE 3.93Å; E292-R296 PolarHBondContact OE1-NE 3.12Å; E292-R296 IonicContact OE1-NH2 2.69Å; E292-R296 PolarHBondContact OE1-NH2 2.84Å
293	E	70.4	Confident	66.6	Low	96 Å²	96	112 Å²	112	45%	0.449	53%	0.53	S	S	.	.	H	α-helix	trans	-59.4	-38.4	171.2	-178.8	76.2	-136.3	0	0	111.5	V289 K297	V289-E293 WeakPolarHBondContact O-CB 3.34Å; V289-E293 PolarHBondContact O-N 3.26Å; E293-K297 WeakPolarHBondContact O-CG 3.23Å; E293-K297 PolarHBondContact O-N 2.91Å; E293-K297 VanDerWaalsContact O-N 3.14Å; E293-K297 IonicContact OE1-NZ 2.85Å; E293-K297 PolarHBondContact OE1-NZ 3.26Å
294	R	73.3	Confident	67.7	Low	174 Å²	174	112.5 Å²	112.5	66%	0.657	53%	0.527	S	S	*	.	H	α-helix	trans	-67.1	-49.3	171.5	-93.3	-173.5	169.5	78.7	0.7	112.1	S290 E291 E292 R296 K297 E298	S290-R294 PolarHBondContact O-N 3.01Å; E291-R294 WeakPolarHBondContact O-CB 3.31Å; E291-R294 PolarHBondContact O-N 3.43Å; E292-R294 VanDerWaalsContact C-N 3.29Å; E292-R294 PolarHBondContact O-N 2.91Å; R294-R296 VanDerWaalsContact C-N 3.31Å; R294-R296 PolarHBondContact O-N 3.29Å; R294-K297 PolarHBondContact O-N 3.37Å; R294-E298 PolarHBondContact O-N 3.49Å
295	A	73.7	Confident	68.8	Low	57 Å²	57	114 Å²	114	47%	0.471	53%	0.532	S	S	.	.	H	α-helix	trans	-59.8	-42.1	-179.9	0	0	0	0	0	111.6	E291 E292 E298 Q299	E291-A295 WeakPolarHBondContact O-CB 3.15Å; E291-A295 PolarHBondContact O-N 3.39Å; E292-A295 PolarHBondContact O-N 3.37Å; A295-E298 PolarHBondContact O-N 3.24Å; A295-Q299 WeakPolarHBondContact O-CB 3.4Å; A295-Q299 PolarHBondContact O-N 2.78Å
296	R	76.6	Confident	70	Confident	162 Å²	162	115.4 Å²	115.4	61%	0.611	54%	0.538	S	S	*	.	H	α-helix	trans	-61.2	-46.3	174.1	-73.5	169.3	178.7	-126.9	6.4	111.8	E292 R294 E298 Q299 E300	E292-R296 WeakPolarHBondContact O-CB 3.36Å; E292-R296 VanDerWaalsContact O-CG 3.24Å; E292-R296 WeakPolarHBondContact O-CG 3.49Å; E292-R296 PolarHBondContact O-N 2.88Å; E292-R296 IonicContact OE1-CZ 3.18Å; E292-R296 IonicContact OE1-NE 3.93Å; E292-R296 PolarHBondContact OE1-NE 3.12Å; E292-R296 IonicContact OE1-NH2 2.69Å; E292-R296 PolarHBondContact OE1-NH2 2.84Å; R294-R296 VanDerWaalsContact C-N 3.31Å; R294-R296 PolarHBondContact O-N 3.29Å; R296-E298 PolarHBondContact O-N 3.43Å; R296-Q299 PolarHBondContact O-N 3.23Å; R296-E300 VanDerWaalsContact O-CB 3.26Å; R296-E300 WeakPolarHBondContact O-CB 3.2Å; R296-E300 PolarHBondContact O-N 2.81Å
297	K	74.4	Confident	70.9	Confident	119 Å²	119	112.1 Å²	112.1	52%	0.517	52%	0.518	S	S	.	.	H	α-helix	trans	-64.5	-37	176.4	-79.2	-174.2	167.4	86.9	0	113.3	E293 R294 K301	E293-K297 WeakPolarHBondContact O-CG 3.23Å; E293-K297 PolarHBondContact O-N 2.91Å; E293-K297 VanDerWaalsContact O-N 3.14Å; E293-K297 IonicContact OE1-NZ 2.85Å; E293-K297 PolarHBondContact OE1-NZ 3.26Å; R294-K297 PolarHBondContact O-N 3.37Å; K297-K301 WeakPolarHBondContact O-CB 3.35Å; K297-K301 PolarHBondContact O-N 3.39Å
298	E	74.2	Confident	71.9	Confident	149 Å²	149	107.3 Å²	107.3	70%	0.696	51%	0.505	S	S	*	.	H	α-helix	trans	-76.3	-33.8	178.7	-168.4	154.2	-148.9	0	0	112.3	R294 A295 R296 R302	R294-E298 PolarHBondContact O-N 3.49Å; A295-E298 PolarHBondContact O-N 3.24Å; R296-E298 PolarHBondContact O-N 3.43Å; E298-R302 WeakPolarHBondContact O-CB 3.3Å; E298-R302 PolarHBondContact O-N 2.96Å; E298-R302 VanDerWaalsContact O-N 3.17Å
299	Q	72.5	Confident	72.7	Confident	119 Å²	119	104.5 Å²	104.5	56%	0.556	50%	0.499	S	S	*	.	H	α-helix	trans	-66.9	-44.6	169.2	-178.9	172.3	-29.4	0	0	111.9	A295 R296 K301 R302 E303	A295-Q299 WeakPolarHBondContact O-CB 3.4Å; A295-Q299 PolarHBondContact O-N 2.78Å; R296-Q299 PolarHBondContact O-N 3.23Å; Q299-K301 PolarHBondContact O-N 3.4Å; Q299-R302 CarbonylContact O-C 3.59Å; Q299-R302 WeakPolarHBondContact O-CA 3.33Å; Q299-R302 WeakPolarHBondContact O-CB 3.44Å; Q299-R302 PolarHBondContact O-N 3.42Å; Q299-E303 HydrophobicContact CG-CG 4.49Å; Q299-E303 PolarHBondContact NE2-OE1 3.06Å; Q299-E303 PolarHBondContact O-N 3.42Å
300	E	75.3	Confident	73.2	Confident	93 Å²	93	107.5 Å²	107.5	44%	0.435	50%	0.501	S	S	.	.	H	α-helix	trans	-60.5	-43.1	177	175.9	163.2	-113.7	0	0	112	R296 R302 E303 E304 R1600	R296-E300 VanDerWaalsContact O-CB 3.26Å; R296-E300 WeakPolarHBondContact O-CB 3.2Å; R296-E300 PolarHBondContact O-N 2.81Å; E300-R302 VanDerWaalsContact C-N 3.27Å; E300-R302 PolarHBondContact O-N 2.97Å; E300-E303 PolarHBondContact O-N 3.45Å; E300-E304 PolarHBondContact O-N 2.95Å; E300-R1600 IonicContact OE1-CZ 2.74Å; E300-R1600 IonicContact OE1-NH1 2.74Å; E300-R1600 PolarHBondContact OE1-NH1 3.22Å; E300-R1600 IonicContact OE1-NH2 3.05Å
301	K	78.4	Confident	73.3	Confident	114 Å²	114	110.7 Å²	110.7	50%	0.496	50%	0.504	S	S	.	.	H	α-helix	trans	-57.8	-40	171.8	179.5	-179.5	175.5	-69.3	0	111.9	K297 Q299 E304 E305	K297-K301 WeakPolarHBondContact O-CB 3.35Å; K297-K301 PolarHBondContact O-N 3.39Å; Q299-K301 PolarHBondContact O-N 3.4Å; K301-E304 PolarHBondContact O-N 3.5Å; K301-E305 WeakPolarHBondContact CE-OE1 3.25Å; K301-E305 IonicContact NZ-OE1 2.57Å; K301-E305 PolarHBondContact NZ-OE1 3.34Å; K301-E305 IonicContact NZ-OE2 2.69Å; K301-E305 PolarHBondContact NZ-OE2 2.9Å; K301-E305 WeakPolarHBondContact O-CG 3.35Å; K301-E305 PolarHBondContact O-N 2.85Å
302	R	78.3	Confident	73.1	Confident	193 Å²	193	108.9 Å²	108.9	73%	0.728	50%	0.498	S	S	*	.	H	α-helix	trans	-71.1	-39.5	-179.8	-153.3	177	-160.3	161	5.6	112.1	E298 Q299 E300 E304 E305 E306	E298-R302 WeakPolarHBondContact O-CB 3.3Å; E298-R302 PolarHBondContact O-N 2.96Å; E298-R302 VanDerWaalsContact O-N 3.17Å; Q299-R302 CarbonylContact O-C 3.59Å; Q299-R302 WeakPolarHBondContact O-CA 3.33Å; Q299-R302 WeakPolarHBondContact O-CB 3.44Å; Q299-R302 PolarHBondContact O-N 3.42Å; E300-R302 VanDerWaalsContact C-N 3.27Å; E300-R302 PolarHBondContact O-N 2.97Å; R302-E304 VanDerWaalsContact C-N 3.32Å; R302-E305 PolarHBondContact O-N 3.32Å; R302-E306 WeakPolarHBondContact O-CB 3.36Å; R302-E306 PolarHBondContact O-N 3.36Å
303	E	76.3	Confident	72.5	Confident	46 Å²	46	110.2 Å²	110.2	22%	0.215	51%	0.508	C	S	.	.	H	α-helix	trans	-65.3	-32.7	171.7	-74.8	172.6	-173.8	0	0	112.2	Q299 E300 K307 R1600	Q299-E303 HydrophobicContact CG-CG 4.49Å; Q299-E303 PolarHBondContact NE2-OE1 3.06Å; Q299-E303 PolarHBondContact O-N 3.42Å; E300-E303 PolarHBondContact O-N 3.45Å; E303-K307 WeakPolarHBondContact O-CB 3.47Å; E303-K307 PolarHBondContact O-N 3.35Å; E303-R1600 IonicContact OE2-CZ 2.65Å; E303-R1600 IonicContact OE2-NE 2.9Å; E303-R1600 IonicContact OE2-NH2 3.56Å; E303-R1600 PolarHBondContact OE2-NH2 2.95Å
304	E	74.1	Confident	71.8	Confident	139 Å²	139	110 Å²	110	65%	0.65	51%	0.513	S	S	*	.	H	α-helix	trans	-74.7	-41.1	174.2	-171.9	162.5	-130.4	0	0	112.2	E300 K301 R302 K307 A308	E300-E304 PolarHBondContact O-N 2.95Å; K301-E304 PolarHBondContact O-N 3.5Å; R302-E304 VanDerWaalsContact C-N 3.32Å; E304-K307 CarbonylContact O-C 3.58Å; E304-K307 PolarHBondContact O-N 3.02Å; E304-A308 VanDerWaalsContact O-CB 3.32Å; E304-A308 WeakPolarHBondContact O-CB 3.42Å; E304-A308 PolarHBondContact O-N 3Å
305	E	75.3	Confident	70.7	Confident	109 Å²	109	107.7 Å²	107.7	51%	0.509	51%	0.51	S	S	.	.	H	α-helix	trans	-62.7	-41.4	172.7	-77.1	174.3	159	0	0	111.8	K301 R302 A308 A309	K301-E305 WeakPolarHBondContact CE-OE1 3.25Å; K301-E305 IonicContact NZ-OE1 2.57Å; K301-E305 PolarHBondContact NZ-OE1 3.34Å; K301-E305 IonicContact NZ-OE2 2.69Å; K301-E305 PolarHBondContact NZ-OE2 2.9Å; K301-E305 WeakPolarHBondContact O-CG 3.35Å; K301-E305 PolarHBondContact O-N 2.85Å; R302-E305 PolarHBondContact O-N 3.32Å; E305-A308 PolarHBondContact O-N 3.08Å; E305-A309 PolarHBondContact O-N 3.49Å
306	E	74.4	Confident	69.5	Low	97 Å²	97	110.7 Å²	110.7	45%	0.453	52%	0.518	S	S	.	.	H	α-helix	trans	-69.6	-40.4	174.5	-165	-175.4	155.3	0	0	112.2	R302 A308 A309 R310	R302-E306 WeakPolarHBondContact O-CB 3.36Å; R302-E306 PolarHBondContact O-N 3.36Å; E306-A308 PolarHBondContact O-N 3.42Å; E306-A309 PolarHBondContact O-N 2.86Å; E306-R310 HydrophobicContact CG-CG 4.49Å; E306-R310 WeakPolarHBondContact O-CB 3.35Å; E306-R310 WeakPolarHBondContact O-CG 2.97Å; E306-R310 PolarHBondContact O-N 3.31Å; E306-R310 IonicContact OE1-CZ 3.51Å; E306-R310 IonicContact OE1-NE 3.84Å; E306-R310 PolarHBondContact OE1-NE 3.02Å; E306-R310 IonicContact OE1-NH2 3.71Å; E306-R310 PolarHBondContact OE1-NH2 3.34Å
307	K	75.7	Confident	68.2	Low	53 Å²	53	108.5 Å²	108.5	23%	0.23	52%	0.518	C	S	.	.	H	α-helix	trans	-68.5	-21.3	175.5	-173.6	175.5	-75.4	96.8	0	112.2	E303 E304 R311 D1601	E303-K307 WeakPolarHBondContact O-CB 3.47Å; E303-K307 PolarHBondContact O-N 3.35Å; E304-K307 CarbonylContact O-C 3.58Å; E304-K307 PolarHBondContact O-N 3.02Å; K307-R311 WeakPolarHBondContact O-CD 3.43Å; K307-R311 VanDerWaalsContact O-CG 3.27Å; K307-R311 WeakPolarHBondContact O-CG 3.19Å; K307-D1601 VanDerWaalsContact CE-OD1 3.3Å; K307-D1601 WeakPolarHBondContact CE-OD1 3.4Å; K307-D1601 IonicContact NZ-OD1 3.93Å; K307-D1601 PolarHBondContact NZ-OD1 3.21Å; K307-D1601 IonicContact NZ-OD2 3.56Å; K307-D1601 PolarHBondContact NZ-OD2 2.95Å
308	A	74.8	Confident	67	Low	44 Å²	44	107.7 Å²	107.7	36%	0.364	52%	0.515	S	S	.	.	H	α-helix	trans	-78	-45.7	167.7	0	0	0	0	0	111.8	E304 E305 E306 R310 R311 I312	E304-A308 VanDerWaalsContact O-CB 3.32Å; E304-A308 WeakPolarHBondContact O-CB 3.42Å; E304-A308 PolarHBondContact O-N 3Å; E305-A308 PolarHBondContact O-N 3.08Å; E306-A308 PolarHBondContact O-N 3.42Å; A308-R310 PolarHBondContact O-N 3.48Å; A308-R311 WeakPolarHBondContact O-CB 3.46Å; A308-R311 PolarHBondContact O-N 3.38Å; A308-R311 VanDerWaalsContact O-N 3.08Å; A308-I312 PolarHBondContact O-N 2.83Å
309	A	73.6	Confident	65.8	Low	48 Å²	48	104.1 Å²	104.1	40%	0.397	50%	0.501	S	S	.	.	H	α-helix	trans	-58.2	-48.2	175.4	0	0	0	0	0	112	E305 E306 R311 I312 D313	E305-A309 PolarHBondContact O-N 3.49Å; E306-A309 PolarHBondContact O-N 2.86Å; A309-R311 PolarHBondContact O-N 3.1Å; A309-R311 VanDerWaalsContact O-N 3.15Å; A309-I312 WeakPolarHBondContact O-CB 3.28Å; A309-I312 PolarHBondContact O-N 2.66Å; A309-D313 PolarHBondContact O-N 3.21Å
310	R	69.6	Low	64.7	Low	148 Å²	148	99.7 Å²	99.7	56%	0.558	48%	0.484	S	S	*	.	H	α-helix	trans	-62.5	-18.8	175.5	-68	179.1	-175.8	-149.6	9.7	114	E306 A308 V314	E306-R310 HydrophobicContact CG-CG 4.49Å; E306-R310 WeakPolarHBondContact O-CB 3.35Å; E306-R310 WeakPolarHBondContact O-CG 2.97Å; E306-R310 PolarHBondContact O-N 3.31Å; E306-R310 IonicContact OE1-CZ 3.51Å; E306-R310 IonicContact OE1-NE 3.84Å; E306-R310 PolarHBondContact OE1-NE 3.02Å; E306-R310 IonicContact OE1-NH2 3.71Å; E306-R310 PolarHBondContact OE1-NH2 3.34Å; A308-R310 PolarHBondContact O-N 3.48Å; R310-V314 VanDerWaalsContact O-CG2 3.23Å; R310-V314 WeakPolarHBondContact O-CG2 3.45Å
311	R	65.2	Low	63.7	Low	126 Å²	126	102.7 Å²	102.7	48%	0.475	50%	0.498	S	S	.	.	H	α-helix	trans	-79.5	-31.6	171.3	-78.6	169	179.9	166.6	1.9	112.1	K307 A308 A309 E315	K307-R311 WeakPolarHBondContact O-CD 3.43Å; K307-R311 VanDerWaalsContact O-CG 3.27Å; K307-R311 WeakPolarHBondContact O-CG 3.19Å; A308-R311 WeakPolarHBondContact O-CB 3.46Å; A308-R311 PolarHBondContact O-N 3.38Å; A308-R311 VanDerWaalsContact O-N 3.08Å; A309-R311 PolarHBondContact O-N 3.1Å; A309-R311 VanDerWaalsContact O-N 3.15Å; R311-E315 WeakPolarHBondContact O-CG 3.38Å; R311-E315 PolarHBondContact O-N 3.33Å
312	I	61.3	Low	63	Low	110 Å²	110	102.2 Å²	102.2	56%	0.564	50%	0.498	S	S	*	.	H	α-helix	trans	-72.5	-46.4	178.9	-63.4	167.3	0	0	0	110.1	A308 A309 V314 E315 D316	A308-I312 PolarHBondContact O-N 2.83Å; A309-I312 WeakPolarHBondContact O-CB 3.28Å; A309-I312 PolarHBondContact O-N 2.66Å; I312-V314 VanDerWaalsContact C-N 3.25Å; I312-V314 PolarHBondContact O-N 3.04Å; I312-E315 PolarHBondContact O-N 3.38Å; I312-D316 PolarHBondContact O-N 3.48Å
313	D	54.6	Low	63	Low	118 Å²	118	99.1 Å²	99.1	63%	0.631	49%	0.49	S	S	*	.	H	α-helix	trans	-56.9	-39.1	174.9	-76.9	-31.2	0	0	0	112.2	A309 E315 D316 D317	A309-D313 PolarHBondContact O-N 3.21Å; D313-E315 VanDerWaalsContact C-N 3.32Å; D313-E315 PolarHBondContact O-N 3.36Å; D313-D316 PolarHBondContact O-N 3.23Å; D313-D317 PolarHBondContact O-N 2.91Å
314	V	55.3	Low	63.6	Low	93 Å²	93	100.3 Å²	100.3	56%	0.564	50%	0.501	S	S	*	.	H	α-helix	trans	-73.7	-19.9	178.4	171.1	0	0	0	0	112.8	R310 I312	R310-V314 VanDerWaalsContact O-CG2 3.23Å; R310-V314 WeakPolarHBondContact O-CG2 3.45Å; I312-V314 VanDerWaalsContact C-N 3.25Å; I312-V314 PolarHBondContact O-N 3.04Å
315	E	51.6	Low	64.4	Low	125 Å²	125	97.2 Å²	97.2	58%	0.584	49%	0.488	S	S	*	.	H	α-helix	trans	-81.4	-31.4	174.9	-78.4	-176.9	163.9	0	0	112.9	K81 R311 I312 D313	K81-E315 PolarHBondContact NZ-O 2.93Å; R311-E315 WeakPolarHBondContact O-CG 3.38Å; R311-E315 PolarHBondContact O-N 3.33Å; I312-E315 PolarHBondContact O-N 3.38Å; D313-E315 VanDerWaalsContact C-N 3.32Å; D313-E315 PolarHBondContact O-N 3.36Å
316	D	48.5	Very low	65.1	Low	119 Å²	119	94.2 Å²	94.2	64%	0.636	48%	0.476	S	S	*	.	H	α-helix	trans	-72.9	-36.7	171.6	-95.1	-2.7	0	0	0	112.3	I312 D313 F318 D319 A320	I312-D316 PolarHBondContact O-N 3.48Å; D313-D316 PolarHBondContact O-N 3.23Å; D316-F318 PolarHBondContact O-N 3.47Å; D316-D319 PolarHBondContact O-N 3.37Å; D316-A320 PolarHBondContact O-N 3.02Å
317	D	49.8	Very low	66	Low	116 Å²	116	96.2 Å²	96.2	62%	0.62	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.4	-178.8	-149.9	25.7	0	0	0	113.2	D313 A320	D313-D317 PolarHBondContact O-N 2.91Å; D317-A320 VanDerWaalsContact O-CB 3.23Å; D317-A320 WeakPolarHBondContact O-CB 3.44Å; D317-A320 PolarHBondContact O-N 3.22Å; D317-A320 WeakPolarHBondContact OD1-CB 3.4Å
318	F	47.6	Very low	66.8	Low	102 Å²	102	93.9 Å²	93.9	45%	0.447	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-32.9	167.2	-101.3	-83.5	0	0	0	112.8	D316 A320 Q321	D316-F318 PolarHBondContact O-N 3.47Å; F318-A320 PolarHBondContact O-N 3.36Å; F318-Q321 PolarHBondContact O-N 3.41Å
319	D	50.4	Low	67.5	Low	75 Å²	75	99 Å²	99	40%	0.401	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-9.5	176.5	-71.2	24	0	0	0	110.5	K81 D316 Q321	K81-D319 IonicContact NZ-OD1 3.68Å; K81-D319 PolarHBondContact NZ-OD1 3.24Å; D316-D319 PolarHBondContact O-N 3.37Å; D319-Q321 VanDerWaalsContact C-N 3.33Å
320	A	49.5	Very low	68.4	Low	25 Å²	25	101.6 Å²	101.6	21%	0.207	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-16.2	172.4	0	0	0	0	0	114	D316 D317 F318 K323	D316-A320 PolarHBondContact O-N 3.02Å; D317-A320 VanDerWaalsContact O-CB 3.23Å; D317-A320 WeakPolarHBondContact O-CB 3.44Å; D317-A320 PolarHBondContact O-N 3.22Å; D317-A320 WeakPolarHBondContact OD1-CB 3.4Å; F318-A320 PolarHBondContact O-N 3.36Å; A320-K323 VanDerWaalsContact CA-NZ 3.32Å; A320-K323 VanDerWaalsContact CB-NZ 3.28Å; A320-K323 WeakPolarHBondContact O-CD 3.22Å; A320-K323 WeakPolarHBondContact O-CE 3.41Å; A320-K323 WeakPolarHBondContact O-CG 3.35Å; A320-K323 PolarHBondContact O-NZ 3.47Å
321	Q	52.7	Low	69.5	Low	156 Å²	156	96 Å²	96	73%	0.729	48%	0.483	S	S	*	.	S	Bend	trans	-86.9	-25.3	-176.5	-69.9	-174.4	-27	0	0	114.4	F318 D319 K323	F318-Q321 PolarHBondContact O-N 3.41Å; D319-Q321 VanDerWaalsContact C-N 3.33Å; Q321-K323 PolarHBondContact O-N 3.48Å
322	E	64.2	Low	70.9	Confident	104 Å²	104	92.7 Å²	92.7	49%	0.486	47%	0.47	S	S	.	.			trans	-86.1	39.4	179.4	-157.6	162.1	-130.7	0	0	112.5	F336 R350	E322-F336 HydrophobicContact CG-CD1 4Å; E322-F336 HydrophobicContact CG-CE1 3.79Å; E322-F336 WeakPolarHBondContact O-CE1 3.33Å; E322-R350 IonicContact OE1-CZ 3.61Å; E322-R350 IonicContact OE1-NH1 3.89Å; E322-R350 IonicContact OE1-NH2 2.67Å; E322-R350 PolarHBondContact OE1-NH2 2.89Å
323	K	78.2	Confident	72.6	Confident	129 Å²	129	87.6 Å²	87.6	56%	0.561	44%	0.444	S	S	*	.			trans	-85.5	130.6	176.8	-70.2	-179.9	-172.6	115.2	0	110.7	A320 Q321	A320-K323 VanDerWaalsContact CA-NZ 3.32Å; A320-K323 VanDerWaalsContact CB-NZ 3.28Å; A320-K323 WeakPolarHBondContact O-CD 3.22Å; A320-K323 WeakPolarHBondContact O-CE 3.41Å; A320-K323 WeakPolarHBondContact O-CG 3.35Å; A320-K323 PolarHBondContact O-NZ 3.47Å; Q321-K323 PolarHBondContact O-N 3.48Å
324	P	88.2	Confident	74.6	Confident	70 Å²	70	83.7 Å²	83.7	46%	0.455	42%	0.423	S	S	.	.			trans	-72.5	132.6	179.3	30.1	-35.3	0	0	0	111.4	L334 K335 F336	P324-L334 HydrophobicContact CB-CB 3.97Å; P324-L334 HydrophobicContact CB-CD1 4.28Å; P324-L334 HydrophobicContact CB-CD2 4.26Å; P324-L334 HydrophobicContact CB-CG 4.4Å; P324-L334 HydrophobicContact CG-CD1 4.31Å; P324-L334 HydrophobicContact CG-CD2 4.49Å; P324-K335 CarbonylContact C-O 3.53Å; P324-K335 WeakPolarHBondContact CA-O 3.37Å; P324-F336 HydrophobicContact CB-CE1 4.3Å
325	I	91.2	Very high	76.5	Confident	74 Å²	74	80 Å²	80	38%	0.379	40%	0.399	S	S	.	.	S	Bend	trans	-94.5	-23.1	-175.7	53.5	158.6	0	0	0	114.1	K335 D337	I325-K335 HydrophobicContact CD1-CD 3.7Å; I325-K335 HydrophobicContact CD1-CG 4.06Å; I325-K335 HydrophobicContact CG1-CB 4.21Å; I325-K335 HydrophobicContact CG1-CD 3.92Å; I325-K335 HydrophobicContact CG1-CG 3.96Å; I325-K335 WeakPolarHBondContact CG1-O 3.49Å; I325-K335 PolarHBondContact N-O 3.35Å; I325-D337 HydrophobicContact CD1-CB 3.91Å; I325-D337 HydrophobicContact CG1-CB 4.48Å; I325-D337 HydrophobicContact CG2-CB 4.05Å
326	D	91	Very high	78.5	Confident	47 Å²	47	74.9 Å²	74.9	25%	0.251	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	165.1	174.7	-162.9	5.2	0	0	0	109.5	K335 W362 Y411	D326-K335 HydrophobicContact CB-CB 3.89Å; D326-K335 HydrophobicContact CB-CD 3.82Å; D326-K335 HydrophobicContact CB-CG 4.49Å; D326-K335 PolarHBondContact O-N 2.97Å; D326-W362 HydrophobicContact CB-CH2 4.15Å; D326-W362 HydrophobicContact CB-CZ2 3.95Å; D326-W362 WeakPolarHBondContact OD2-CZ2 3.35Å; D326-Y411 PolarHBondContact OD2-OH 2.94Å
327	K	92.8	Very high	80.6	Confident	139 Å²	139	74.4 Å²	74.4	60%	0.604	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.4	145.5	178.6	64.5	-177	179.8	179.1	0	112.2	F333 L334	K327-F333 WeakPolarHBondContact CA-O 3.48Å; K327-L334 HydrophobicContact CB-CD2 3.86Å
328	S	93.1	Very high	82.6	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.021	36%	0.361	C	S	.	.			trans	-54	157.6	170.2	55.9	0	0	0	0	113.2	N330 G331 R332 F333	S328-N330 VanDerWaalsContact C-N 3.27Å; S328-N330 WeakPolarHBondContact CB-OD1 3.39Å; S328-N330 PolarHBondContact O-N 3.02Å; S328-N330 PolarHBondContact OG-OD1 3.48Å; S328-G331 WeakPolarHBondContact O-CA 3.35Å; S328-G331 PolarHBondContact O-N 3.49Å; S328-G331 PolarHBondContact OG-N 2.91Å; S328-R332 PolarHBondContact OG-N 3.45Å; S328-F333 PolarHBondContact N-O 3.09Å; S328-F333 PolarHBondContact OG-N 3.32Å; S328-F333 PolarHBondContact OG-O 3.36Å
329	K	90.2	Very high	84.8	Confident	153 Å²	153	72.5 Å²	72.5	67%	0.665	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.4	-175.7	-63.3	179.3	-178.2	175.5	0	114	W400 E401	K329-W400 HydrophobicContact CD-CB 4.16Å; K329-W400 HydrophobicContact CD-CG 4.27Å; K329-W400 HydrophobicContact CG-CG 4.36Å; K329-E401 WeakPolarHBondContact CE-O 3.43Å; K329-E401 PolarHBondContact NZ-O 2.93Å
330	N	91.2	Very high	86.7	Confident	102 Å²	102	72.4 Å²	72.4	55%	0.545	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.8	173.7	55.2	11.1	0	0	0	113	S328 R332	S328-N330 VanDerWaalsContact C-N 3.27Å; S328-N330 WeakPolarHBondContact CB-OD1 3.39Å; S328-N330 PolarHBondContact O-N 3.02Å; S328-N330 PolarHBondContact OG-OD1 3.48Å; N330-R332 PolarHBondContact O-N 3.16Å; N330-R332 WeakPolarHBondContact OD1-CB 3.38Å; N330-R332 PolarHBondContact OD1-N 3.11Å
331	G	92.1	Very high	88.4	Confident	30 Å²	30	72.6 Å²	72.6	31%	0.309	37%	0.365	S	S	.	.	S	Bend	trans	78.4	-3.1	-177.6	0	0	0	0	0	115.4	S328	S328-G331 WeakPolarHBondContact O-CA 3.35Å; S328-G331 PolarHBondContact O-N 3.49Å; S328-G331 PolarHBondContact OG-N 2.91Å
332	R	96.2	Very high	90	Very high	57 Å²	57	73.4 Å²	73.4	22%	0.215	36%	0.361	C	S	.	.			trans	-64	-46.8	-176.1	176.1	-178.2	176.7	141	7	113.2	S328 N330 D353 T354 E355	S328-R332 PolarHBondContact OG-N 3.45Å; N330-R332 PolarHBondContact O-N 3.16Å; N330-R332 WeakPolarHBondContact OD1-CB 3.38Å; N330-R332 PolarHBondContact OD1-N 3.11Å; R332-D353 WeakPolarHBondContact CG-OD1 3.38Å; R332-D353 IonicContact CZ-OD1 2.63Å; R332-D353 IonicContact CZ-OD2 2.88Å; R332-D353 IonicContact NE-OD1 2.68Å; R332-D353 PolarHBondContact NE-OD1 3.17Å; R332-D353 IonicContact NE-OD2 3.99Å; R332-D353 PolarHBondContact NE-OD2 3.14Å; R332-D353 IonicContact NH2-OD1 2.84Å; R332-D353 PolarHBondContact NH2-OD1 2.93Å; R332-D353 IonicContact NH2-OD2 3.26Å; R332-D353 PolarHBondContact NH2-OD2 3.47Å; R332-T354 WeakPolarHBondContact O-CG2 3.4Å; R332-T354 PolarHBondContact O-N 3.23Å; R332-T354 PolarHBondContact O-OG1 2.97Å; R332-E355 VanDerWaalsContact CD-OE1 3.28Å; R332-E355 WeakPolarHBondContact CD-OE1 3.36Å; R332-E355 HydrophobicContact CG-CG 4.05Å; R332-E355 IonicContact CZ-OE1 2.94Å; R332-E355 IonicContact CZ-OE2 3.36Å; R332-E355 IonicContact NE-OE1 3.21Å; R332-E355 IonicContact NE-OE2 3Å; R332-E355 VanDerWaalsContact NH1-CD 3.32Å; R332-E355 IonicContact NH1-OE1 2.71Å; R332-E355 IonicContact NH1-OE2 3.52Å; R332-E355 PolarHBondContact NH1-OE2 2.88Å; R332-E355 IonicContact NH2-OE2 2.69Å
333	F	96.9	Very high	90.3	Very high	2 Å²	2	70.3 Å²	70.3	1%	0.009	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	134.3	178.8	-50.3	-71.2	0	0	0	110.8	K327 S328 L352 D353 V360 W362 Y397 D398 W400 V415	K327-F333 WeakPolarHBondContact CA-O 3.48Å; S328-F333 PolarHBondContact N-O 3.09Å; S328-F333 PolarHBondContact OG-N 3.32Å; S328-F333 PolarHBondContact OG-O 3.36Å; F333-L352 WeakPolarHBondContact CA-O 3.49Å; F333-D353 HydrophobicContact CD1-CB 3.85Å; F333-D353 HydrophobicContact CE1-CB 3.78Å; F333-V360 HydrophobicContact CD1-CG2 4.22Å; F333-W362 HydrophobicContact CB-CE3 4.35Å; F333-W362 HydrophobicContact CB-CZ3 4.18Å; F333-Y397 HydrophobicContact CE1-CG 4.41Å; F333-Y397 HydrophobicContact CZ-CG 4.4Å; F333-D398 HydrophobicContact CE2-CB 3.71Å; F333-D398 HydrophobicContact CZ-CB 4.4Å; F333-W400 HydrophobicContact CB-CH2 4.34Å; F333-W400 HydrophobicContact CD2-CH2 4.08Å; F333-W400 AromaticContact CD2-CZ3 3.93Å; F333-W400 HydrophobicContact CD2-CZ3 3.93Å; F333-V415 HydrophobicContact CB-CG2 4.34Å; F333-V415 HydrophobicContact CD1-CG1 3.73Å; F333-V415 HydrophobicContact CD2-CB 4.44Å; F333-V415 HydrophobicContact CD2-CG1 4.39Å; F333-V415 HydrophobicContact CD2-CG2 4.02Å; F333-V415 HydrophobicContact CE1-CG1 3.9Å; F333-V415 HydrophobicContact CG-CB 4.47Å; F333-V415 HydrophobicContact CG-CG1 3.98Å; F333-V415 HydrophobicContact CG-CG2 4.08Å; F333-V415 HydrophobicContact CZ-CG1 4.32Å
334	L	95.7	Very high	89.7	Confident	36 Å²	36	68.9 Å²	68.9	19%	0.188	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	145.2	172.4	-58.9	177.7	0	0	0	110.2	P324 K327 F336 G351 L352 T354	P324-L334 HydrophobicContact CB-CB 3.97Å; P324-L334 HydrophobicContact CB-CD1 4.28Å; P324-L334 HydrophobicContact CB-CD2 4.26Å; P324-L334 HydrophobicContact CB-CG 4.4Å; P324-L334 HydrophobicContact CG-CD1 4.31Å; P324-L334 HydrophobicContact CG-CD2 4.49Å; K327-L334 HydrophobicContact CB-CD2 3.86Å; L334-F336 HydrophobicContact CB-CE2 4.37Å; L334-F336 HydrophobicContact CB-CZ 4.42Å; L334-G351 CarbonylContact O-C 3.51Å; L334-G351 WeakPolarHBondContact O-CA 3.35Å; L334-L352 PolarHBondContact N-O 3.23Å; L334-L352 PolarHBondContact O-N 2.94Å; L334-T354 HydrophobicContact CD1-CG2 3.66Å; L334-T354 HydrophobicContact CG-CG2 3.75Å
335	K	95.7	Very high	88.7	Confident	16 Å²	16	69.1 Å²	69.1	7%	0.07	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	139.1	173.4	-172.7	-168	-177.2	179.8	0	110.5	P324 I325 D326 F349 W362 E364	P324-K335 CarbonylContact C-O 3.53Å; P324-K335 WeakPolarHBondContact CA-O 3.37Å; I325-K335 HydrophobicContact CD1-CD 3.7Å; I325-K335 HydrophobicContact CD1-CG 4.06Å; I325-K335 HydrophobicContact CG1-CB 4.21Å; I325-K335 HydrophobicContact CG1-CD 3.92Å; I325-K335 HydrophobicContact CG1-CG 3.96Å; I325-K335 WeakPolarHBondContact CG1-O 3.49Å; I325-K335 PolarHBondContact N-O 3.35Å; D326-K335 HydrophobicContact CB-CB 3.89Å; D326-K335 HydrophobicContact CB-CD 3.82Å; D326-K335 HydrophobicContact CB-CG 4.49Å; D326-K335 PolarHBondContact O-N 2.97Å; K335-F349 HydrophobicContact CD-CG 4.47Å; K335-F349 HydrophobicContact CG-CB 4.11Å; K335-F349 HydrophobicContact CG-CG 4.44Å; K335-W362 HydrophobicContact CB-CD2 3.73Å; K335-W362 HydrophobicContact CB-CE3 3.86Å; K335-W362 HydrophobicContact CB-CG 4.25Å; K335-W362 HydrophobicContact CB-CH2 4.03Å; K335-W362 HydrophobicContact CB-CZ2 3.94Å; K335-W362 HydrophobicContact CB-CZ3 4.01Å; K335-W362 HydrophobicContact CD-CD2 4.36Å; K335-W362 HydrophobicContact CD-CG 4.43Å; K335-W362 HydrophobicContact CD-CZ2 4.15Å; K335-W362 HydrophobicContact CG-CD2 3.95Å; K335-W362 HydrophobicContact CG-CG 3.98Å; K335-W362 HydrophobicContact CG-CZ2 4.41Å; K335-E364 WeakPolarHBondContact CE-OE1 3.13Å; K335-E364 IonicContact NZ-OE1 3.59Å; K335-E364 PolarHBondContact NZ-OE1 2.86Å; K335-E364 IonicContact NZ-OE2 3.23Å; K335-E364 PolarHBondContact NZ-OE2 2.89Å
336	F	93.9	Very high	88.2	Confident	18 Å²	18	67.5 Å²	67.5	8%	0.079	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	159.1	169.9	-56.5	-88.5	0	0	0	110.6	E322 P324 L334 E338 R350 L352	E322-F336 HydrophobicContact CG-CD1 4Å; E322-F336 HydrophobicContact CG-CE1 3.79Å; E322-F336 WeakPolarHBondContact O-CE1 3.33Å; P324-F336 HydrophobicContact CB-CE1 4.3Å; L334-F336 HydrophobicContact CB-CE2 4.37Å; L334-F336 HydrophobicContact CB-CZ 4.42Å; F336-E338 PolarHBondContact O-N 2.76Å; F336-R350 PolarHBondContact N-O 3.12Å; F336-L352 HydrophobicContact CE2-CB 3.66Å; F336-L352 HydrophobicContact CZ-CB 4.11Å
337	D	91.8	Very high	88.1	Confident	108 Å²	108	66 Å²	66	58%	0.578	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	34.4	-178.8	-136.7	-2.8	0	0	0	112.9	I325	I325-D337 HydrophobicContact CD1-CB 3.91Å; I325-D337 HydrophobicContact CG1-CB 4.48Å; I325-D337 HydrophobicContact CG2-CB 4.05Å
338	E	92.3	Very high	88	Confident	83 Å²	83	60.2 Å²	60.2	39%	0.388	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	94.7	177.7	-172.9	-175.4	142.9	0	0	108.3	F336 L340 F349 R350	F336-E338 PolarHBondContact O-N 2.76Å; E338-L340 HydrophobicContact CG-CD2 4.33Å; E338-L340 PolarHBondContact O-N 3.3Å; E338-F349 CarbonylContact O-C 3.55Å; E338-F349 VanDerWaalsContact O-CA 3.31Å; E338-F349 WeakPolarHBondContact O-CA 3.4Å; E338-R350 HydrophobicContact CB-CB 3.97Å; E338-R350 VanDerWaalsContact CD-CD 3.44Å; E338-R350 HydrophobicContact CG-CB 4.34Å; E338-R350 PolarHBondContact O-N 2.89Å; E338-R350 WeakPolarHBondContact OE2-CD 3.39Å; E338-R350 IonicContact OE2-CZ 2.65Å; E338-R350 IonicContact OE2-NE 2.65Å; E338-R350 IonicContact OE2-NH1 3.27Å; E338-R350 PolarHBondContact OE2-NH1 3.31Å
339	E	93.3	Very high	88.1	Confident	95 Å²	95	61 Å²	61	44%	0.444	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	113.2	173.3	-170.8	-179.7	117.8	0	0	109.5	R342 T347 F349	E339-R342 VanDerWaalsContact OE1-CB 3.24Å; E339-R342 WeakPolarHBondContact OE1-CB 3.42Å; E339-R342 WeakPolarHBondContact OE1-CD 3.35Å; E339-R342 IonicContact OE2-NH1 3.48Å; E339-T347 HydrophobicContact CG-CG2 3.7Å; E339-T347 VanDerWaalsContact OE2-CG2 3.32Å; E339-T347 WeakPolarHBondContact OE2-CG2 3.38Å; E339-F349 HydrophobicContact CB-CD1 4.47Å; E339-F349 HydrophobicContact CB-CE1 4.35Å
340	L	90.6	Very high	88.4	Confident	73 Å²	73	57 Å²	57	38%	0.382	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-20.9	179.2	-63.3	175.4	0	0	0	112.7	E338 V348 R350 L418	E338-L340 HydrophobicContact CG-CD2 4.33Å; E338-L340 PolarHBondContact O-N 3.3Å; L340-V348 HydrophobicContact CB-CG1 4.33Å; L340-V348 HydrophobicContact CD1-CG1 4.4Å; L340-V348 PolarHBondContact N-O 2.88Å; L340-R350 HydrophobicContact CD1-CB 4.05Å; L340-R350 HydrophobicContact CD2-CB 4.28Å; L340-R350 HydrophobicContact CG-CB 4.19Å; L340-L418 HydrophobicContact CD1-CD1 3.43Å; L340-L418 VanDerWaalsContact CD1-CD1 3.43Å
341	G	85.8	Confident	88.6	Confident	30 Å²	30	52.1 Å²	52.1	31%	0.309	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	164.7	158.4	176.4	0	0	0	0	0	113.1	V348	G341-V348 PolarHBondContact N-O 2.85Å; G341-V348 WeakPolarHBondContact O-CB 3.48Å; G341-V348 PolarHBondContact O-N 3.24Å
342	R	85.2	Confident	88.8	Confident	172 Å²	172	53.3 Å²	53.3	65%	0.649	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.4	141.7	-170.2	179	170.4	169.8	-177.7	-4.8	111.7	E339 T347	E339-R342 VanDerWaalsContact OE1-CB 3.24Å; E339-R342 WeakPolarHBondContact OE1-CB 3.42Å; E339-R342 WeakPolarHBondContact OE1-CD 3.35Å; E339-R342 IonicContact OE2-NH1 3.48Å; R342-T347 HydrophobicContact CB-CG2 4.38Å; R342-T347 HydrophobicContact CG-CG2 4.45Å
343	G	71.1	Confident	88.8	Confident	40 Å²	40	50.6 Å²	50.6	41%	0.412	26%	0.263	S	S	.	.			trans	-126.4	-169.1	177.3	0	0	0	0	0	112.1	F345 K346	G343-F345 VanDerWaalsContact C-N 3.29Å; G343-F345 PolarHBondContact O-N 3.15Å; G343-K346 PolarHBondContact N-O 3.29Å
344	S	64.5	Low	88.8	Confident	99 Å²	99	54 Å²	54	69%	0.692	29%	0.285	S	S	*	.	S	Bend	trans	-68.4	-21.8	-176.8	45.4	0	0	0	0	114.9
345	F	68.8	Low	88.7	Confident	74 Å²	74	58.4 Å²	58.4	33%	0.325	30%	0.304	S	S	.	.	S	Bend	trans	-134	-12.2	-179.8	-55.1	-86.6	0	0	0	114.2	G343 L365 Q366 K369 I499	G343-F345 VanDerWaalsContact C-N 3.29Å; G343-F345 PolarHBondContact O-N 3.15Å; F345-L365 WeakPolarHBondContact O-CA 3.37Å; F345-Q366 PolarHBondContact O-N 3.2Å; F345-K369 HydrophobicContact CD1-CD 4.13Å; F345-K369 HydrophobicContact CE1-CD 3.69Å; F345-I499 HydrophobicContact CE2-CD1 4.27Å; F345-I499 HydrophobicContact CZ-CD1 3.99Å
346	K	80.3	Confident	88.6	Confident	41 Å²	41	61.4 Å²	61.4	18%	0.178	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.1	-176.4	81	178.3	-171.2	-176.1	0	112.3	G343 V348 E364 L365 D483 L486	G343-K346 PolarHBondContact N-O 3.29Å; K346-V348 HydrophobicContact CD-CG2 4.16Å; K346-V348 HydrophobicContact CG-CG2 4.41Å; K346-E364 CarbonylContact C-O 3.51Å; K346-E364 WeakPolarHBondContact CA-O 3.44Å; K346-L365 HydrophobicContact CB-CD2 3.42Å; K346-L365 VanDerWaalsContact CB-CD2 3.42Å; K346-D483 IonicContact NZ-OD1 2.68Å; K346-D483 PolarHBondContact NZ-OD1 3.04Å; K346-D483 IonicContact NZ-OD2 3.89Å; K346-D483 PolarHBondContact NZ-OD2 2.79Å; K346-L486 HydrophobicContact CD-CD1 4.08Å
347	T	87.9	Confident	88.6	Confident	14 Å²	14	63.2 Å²	63.2	9%	0.086	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.5	158.8	-55.3	0	0	0	0	108.6	E339 R342 F349 E364	E339-T347 HydrophobicContact CG-CG2 3.7Å; E339-T347 VanDerWaalsContact OE2-CG2 3.32Å; E339-T347 WeakPolarHBondContact OE2-CG2 3.38Å; R342-T347 HydrophobicContact CB-CG2 4.38Å; R342-T347 HydrophobicContact CG-CG2 4.45Å; T347-F349 HydrophobicContact CG2-CD2 4.04Å; T347-F349 HydrophobicContact CG2-CE1 4.44Å; T347-F349 HydrophobicContact CG2-CE2 3.37Å; T347-F349 HydrophobicContact CG2-CZ 3.61Å; T347-E364 PolarHBondContact N-O 3.33Å; T347-E364 PolarHBondContact O-N 2.99Å
348	V	91.8	Very high	88.7	Confident	18 Å²	18	61.3 Å²	61.3	11%	0.109	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.8	-179.1	-172.8	0	0	0	0	108.8	L340 G341 K346 A361 W362	L340-V348 HydrophobicContact CB-CG1 4.33Å; L340-V348 HydrophobicContact CD1-CG1 4.4Å; L340-V348 PolarHBondContact N-O 2.88Å; G341-V348 PolarHBondContact N-O 2.85Å; G341-V348 WeakPolarHBondContact O-CB 3.48Å; G341-V348 PolarHBondContact O-N 3.24Å; K346-V348 HydrophobicContact CD-CG2 4.16Å; K346-V348 HydrophobicContact CG-CG2 4.41Å; V348-A361 HydrophobicContact CG1-CB 3.99Å; V348-W362 WeakPolarHBondContact CA-O 3.44Å
349	F	95	Very high	88.8	Confident	21 Å²	21	59.2 Å²	59.2	9%	0.092	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	157.8	177.4	-64.5	-94.2	0	0	0	110.6	K335 E338 E339 T347 W362 E364	K335-F349 HydrophobicContact CD-CG 4.47Å; K335-F349 HydrophobicContact CG-CB 4.11Å; K335-F349 HydrophobicContact CG-CG 4.44Å; E338-F349 CarbonylContact O-C 3.55Å; E338-F349 VanDerWaalsContact O-CA 3.31Å; E338-F349 WeakPolarHBondContact O-CA 3.4Å; E339-F349 HydrophobicContact CB-CD1 4.47Å; E339-F349 HydrophobicContact CB-CE1 4.35Å; T347-F349 HydrophobicContact CG2-CD2 4.04Å; T347-F349 HydrophobicContact CG2-CE1 4.44Å; T347-F349 HydrophobicContact CG2-CE2 3.37Å; T347-F349 HydrophobicContact CG2-CZ 3.61Å; F349-W362 HydrophobicContact CB-CB 4.35Å; F349-W362 PolarHBondContact N-O 3.01Å; F349-W362 PolarHBondContact O-N 3.22Å; F349-E364 HydrophobicContact CD2-CG 4.46Å; F349-E364 HydrophobicContact CE2-CG 4.45Å; F349-E364 WeakPolarHBondContact CE2-OE2 3.32Å
350	R	95.9	Very high	89	Confident	68 Å²	68	54.7 Å²	54.7	26%	0.257	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	138.9	166.5	-171.7	179.9	160.1	-150	-15.8	109.9	E322 F336 E338 L340 L418	E322-R350 IonicContact OE1-CZ 3.61Å; E322-R350 IonicContact OE1-NH1 3.89Å; E322-R350 IonicContact OE1-NH2 2.67Å; E322-R350 PolarHBondContact OE1-NH2 2.89Å; F336-R350 PolarHBondContact N-O 3.12Å; E338-R350 HydrophobicContact CB-CB 3.97Å; E338-R350 VanDerWaalsContact CD-CD 3.44Å; E338-R350 HydrophobicContact CG-CB 4.34Å; E338-R350 PolarHBondContact O-N 2.89Å; E338-R350 WeakPolarHBondContact OE2-CD 3.39Å; E338-R350 IonicContact OE2-CZ 2.65Å; E338-R350 IonicContact OE2-NE 2.65Å; E338-R350 IonicContact OE2-NH1 3.27Å; E338-R350 PolarHBondContact OE2-NH1 3.31Å; L340-R350 HydrophobicContact CD1-CB 4.05Å; L340-R350 HydrophobicContact CD2-CB 4.28Å; L340-R350 HydrophobicContact CG-CB 4.19Å; R350-L418 HydrophobicContact CG-CD2 4.44Å
351	G	96.1	Very high	89.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	177.9	171	0	0	0	0	0	112.8	L334 A359 V360	L334-G351 CarbonylContact O-C 3.51Å; L334-G351 WeakPolarHBondContact O-CA 3.35Å; G351-A359 CarbonylContact O-C 3.49Å; G351-A359 WeakPolarHBondContact O-CA 3.41Å; G351-V360 PolarHBondContact N-O 2.87Å; G351-V360 PolarHBondContact O-N 2.93Å
352	L	96.4	Very high	89.6	Confident	54 Å²	54	50.1 Å²	50.1	28%	0.283	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.8	175.6	179.1	70.8	0	0	0	109.6	F333 L334 F336	F333-L352 WeakPolarHBondContact CA-O 3.49Å; L334-L352 PolarHBondContact N-O 3.23Å; L334-L352 PolarHBondContact O-N 2.94Å; F336-L352 HydrophobicContact CE2-CB 3.66Å; F336-L352 HydrophobicContact CZ-CB 4.11Å
353	D	96.8	Very high	90	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	110.1	165.9	177.6	12.7	0	0	0	109.4	R332 F333 E355 T356 G357 V358 V360	R332-D353 WeakPolarHBondContact CG-OD1 3.38Å; R332-D353 IonicContact CZ-OD1 2.63Å; R332-D353 IonicContact CZ-OD2 2.88Å; R332-D353 IonicContact NE-OD1 2.68Å; R332-D353 PolarHBondContact NE-OD1 3.17Å; R332-D353 IonicContact NE-OD2 3.99Å; R332-D353 PolarHBondContact NE-OD2 3.14Å; R332-D353 IonicContact NH2-OD1 2.84Å; R332-D353 PolarHBondContact NH2-OD1 2.93Å; R332-D353 IonicContact NH2-OD2 3.26Å; R332-D353 PolarHBondContact NH2-OD2 3.47Å; F333-D353 HydrophobicContact CD1-CB 3.85Å; F333-D353 HydrophobicContact CE1-CB 3.78Å; D353-E355 VanDerWaalsContact C-N 3.27Å; D353-E355 PolarHBondContact O-N 3.39Å; D353-E355 PolarHBondContact OD1-N 3.43Å; D353-T356 WeakPolarHBondContact CB-OG1 3.44Å; D353-T356 PolarHBondContact O-N 3.43Å; D353-T356 VanDerWaalsContact OD2-CG2 3.24Å; D353-T356 WeakPolarHBondContact OD2-CG2 3.48Å; D353-T356 PolarHBondContact OD2-OG1 2.8Å; D353-G357 WeakPolarHBondContact O-CA 3.44Å; D353-G357 PolarHBondContact O-N 3.21Å; D353-V358 PolarHBondContact N-O 3.35Å; D353-V360 HydrophobicContact CB-CG1 4.02Å
354	T	94.9	Very high	90.8	Very high	75 Å²	75	42.1 Å²	42.1	46%	0.46	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-18.2	-175.9	64.7	0	0	0	0	113.4	R332 L334	R332-T354 WeakPolarHBondContact O-CG2 3.4Å; R332-T354 PolarHBondContact O-N 3.23Å; R332-T354 PolarHBondContact O-OG1 2.97Å; L334-T354 HydrophobicContact CD1-CG2 3.66Å; L334-T354 HydrophobicContact CG-CG2 3.75Å
355	E	94.7	Very high	91.5	Very high	128 Å²	128	37.9 Å²	37.9	60%	0.598	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-33.4	175.1	-73.8	176.6	-153.9	0	0	112.1	R332 D353	R332-E355 VanDerWaalsContact CD-OE1 3.28Å; R332-E355 WeakPolarHBondContact CD-OE1 3.36Å; R332-E355 HydrophobicContact CG-CG 4.05Å; R332-E355 IonicContact CZ-OE1 2.94Å; R332-E355 IonicContact CZ-OE2 3.36Å; R332-E355 IonicContact NE-OE1 3.21Å; R332-E355 IonicContact NE-OE2 3Å; R332-E355 VanDerWaalsContact NH1-CD 3.32Å; R332-E355 IonicContact NH1-OE1 2.71Å; R332-E355 IonicContact NH1-OE2 3.52Å; R332-E355 PolarHBondContact NH1-OE2 2.88Å; R332-E355 IonicContact NH2-OE2 2.69Å; D353-E355 VanDerWaalsContact C-N 3.27Å; D353-E355 PolarHBondContact O-N 3.39Å; D353-E355 PolarHBondContact OD1-N 3.43Å
356	T	94	Very high	91.8	Very high	78 Å²	78	38.3 Å²	38.3	48%	0.479	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-15.8	-173.5	62.2	0	0	0	0	113.9	D353 V358	D353-T356 WeakPolarHBondContact CB-OG1 3.44Å; D353-T356 PolarHBondContact O-N 3.43Å; D353-T356 VanDerWaalsContact OD2-CG2 3.24Å; D353-T356 WeakPolarHBondContact OD2-CG2 3.48Å; D353-T356 PolarHBondContact OD2-OG1 2.8Å; T356-V358 PolarHBondContact O-N 2.87Å; T356-V358 WeakPolarHBondContact OG1-CB 3.44Å; T356-V358 PolarHBondContact OG1-N 3Å
357	G	92.7	Very high	91.1	Very high	56 Å²	56	37.1 Å²	37.1	58%	0.577	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.5	12.2	-171.4	0	0	0	0	0	113.7	D353	D353-G357 WeakPolarHBondContact O-CA 3.44Å; D353-G357 PolarHBondContact O-N 3.21Å
358	V	94.2	Very high	89.7	Confident	69 Å²	69	40.1 Å²	40.1	42%	0.418	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.5	-175.6	179.5	0	0	0	0	110.5	D353 T356	D353-V358 PolarHBondContact N-O 3.35Å; T356-V358 PolarHBondContact O-N 2.87Å; T356-V358 WeakPolarHBondContact OG1-CB 3.44Å; T356-V358 PolarHBondContact OG1-N 3Å
359	A	95.5	Very high	88.2	Confident	38 Å²	38	46.3 Å²	46.3	31%	0.314	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	134.7	173.6	0	0	0	0	0	111	G351 L418	G351-A359 CarbonylContact O-C 3.49Å; G351-A359 WeakPolarHBondContact O-CA 3.41Å; A359-L418 HydrophobicContact CB-CD2 3.68Å; A359-L418 WeakPolarHBondContact O-CB 3.32Å
360	V	96.2	Very high	86.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	161.2	-177	-65.2	0	0	0	0	110.7	F333 G351 D353 Y397 V415 T416	F333-V360 HydrophobicContact CD1-CG2 4.22Å; G351-V360 PolarHBondContact N-O 2.87Å; G351-V360 PolarHBondContact O-N 2.93Å; D353-V360 HydrophobicContact CB-CG1 4.02Å; V360-Y397 HydrophobicContact CG1-CD2 4.01Å; V360-Y397 HydrophobicContact CG1-CE2 3.7Å; V360-V415 HydrophobicContact CB-CG1 3.75Å; V360-V415 HydrophobicContact CG1-CG1 4.18Å; V360-V415 HydrophobicContact CG2-CG1 3.66Å; V360-T416 WeakPolarHBondContact CB-O 3.43Å
361	A	95.8	Very high	85.2	Confident	8 Å²	8	49.1 Å²	49.1	7%	0.066	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	126	167	0	0	0	0	0	109	V348 V415 T416 L418	V348-A361 HydrophobicContact CG1-CB 3.99Å; A361-V415 WeakPolarHBondContact O-CA 3.4Å; A361-T416 PolarHBondContact N-O 2.96Å; A361-T416 PolarHBondContact O-N 2.84Å; A361-L418 HydrophobicContact CB-CD1 4.21Å
362	W	94.8	Very high	84	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	106.6	176.6	176.1	-68.3	0	0	0	108.2	D326 F333 K335 V348 F349 E364 W400 V413	D326-W362 HydrophobicContact CB-CH2 4.15Å; D326-W362 HydrophobicContact CB-CZ2 3.95Å; D326-W362 WeakPolarHBondContact OD2-CZ2 3.35Å; F333-W362 HydrophobicContact CB-CE3 4.35Å; F333-W362 HydrophobicContact CB-CZ3 4.18Å; K335-W362 HydrophobicContact CB-CD2 3.73Å; K335-W362 HydrophobicContact CB-CE3 3.86Å; K335-W362 HydrophobicContact CB-CG 4.25Å; K335-W362 HydrophobicContact CB-CH2 4.03Å; K335-W362 HydrophobicContact CB-CZ2 3.94Å; K335-W362 HydrophobicContact CB-CZ3 4.01Å; K335-W362 HydrophobicContact CD-CD2 4.36Å; K335-W362 HydrophobicContact CD-CG 4.43Å; K335-W362 HydrophobicContact CD-CZ2 4.15Å; K335-W362 HydrophobicContact CG-CD2 3.95Å; K335-W362 HydrophobicContact CG-CG 3.98Å; K335-W362 HydrophobicContact CG-CZ2 4.41Å; V348-W362 WeakPolarHBondContact CA-O 3.44Å; F349-W362 HydrophobicContact CB-CB 4.35Å; F349-W362 PolarHBondContact N-O 3.01Å; F349-W362 PolarHBondContact O-N 3.22Å; W362-E364 PolarHBondContact NE1-OE1 3.37Å; W362-W400 HydrophobicContact CE3-CH2 4.34Å; W362-W400 HydrophobicContact CE3-CZ2 4.34Å; W362-W400 HydrophobicContact CH2-CH2 4.29Å; W362-W400 AromaticContact CH2-CZ2 3.58Å; W362-W400 HydrophobicContact CH2-CZ2 3.58Å; W362-W400 HydrophobicContact CZ2-CZ2 4.02Å; W362-W400 AromaticContact CZ3-CH2 3.97Å; W362-W400 HydrophobicContact CZ3-CH2 3.97Å; W362-W400 AromaticContact CZ3-CZ2 3.73Å; W362-W400 HydrophobicContact CZ3-CZ2 3.73Å; W362-V413 HydrophobicContact CD2-CG1 3.76Å; W362-V413 HydrophobicContact CE3-CG1 4.33Å; W362-V413 HydrophobicContact CG-CG1 4.1Å; W362-V413 HydrophobicContact CZ2-CG1 4Å; W362-V413 HydrophobicContact CZ2-CG2 4.05Å
363	C	92.1	Very high	82.7	Confident	16 Å²	16	58.6 Å²	58.6	11%	0.108	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.6	-174.3	-62.9	0	0	0	0	110.7	V413 L414	C363-V413 CarbonylContact O-C 3.58Å; C363-V413 VanDerWaalsContact O-CA 3.31Å; C363-V413 WeakPolarHBondContact O-CA 3.41Å; C363-L414 HydrophobicContact CB-CB 4.31Å; C363-L414 WeakPolarHBondContact CB-O 3.24Å; C363-L414 PolarHBondContact N-O 3.34Å; C363-L414 PolarHBondContact O-N 3.12Å
364	E	89	Confident	81.2	Confident	28 Å²	28	60.6 Å²	60.6	13%	0.131	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120	178.4	-64.1	-177.9	159.5	0	0	110.8	K335 K346 T347 F349 W362 Y411 I412 V413	K335-E364 WeakPolarHBondContact CE-OE1 3.13Å; K335-E364 IonicContact NZ-OE1 3.59Å; K335-E364 PolarHBondContact NZ-OE1 2.86Å; K335-E364 IonicContact NZ-OE2 3.23Å; K335-E364 PolarHBondContact NZ-OE2 2.89Å; K346-E364 CarbonylContact C-O 3.51Å; K346-E364 WeakPolarHBondContact CA-O 3.44Å; T347-E364 PolarHBondContact N-O 3.33Å; T347-E364 PolarHBondContact O-N 2.99Å; F349-E364 HydrophobicContact CD2-CG 4.46Å; F349-E364 HydrophobicContact CE2-CG 4.45Å; F349-E364 WeakPolarHBondContact CE2-OE2 3.32Å; W362-E364 PolarHBondContact NE1-OE1 3.37Å; E364-Y411 HydrophobicContact CB-CD2 4.25Å; E364-Y411 HydrophobicContact CG-CD2 4.04Å; E364-Y411 HydrophobicContact CG-CE2 4.14Å; E364-Y411 WeakPolarHBondContact OE1-CE2 3.49Å; E364-I412 CarbonylContact C-O 3.46Å; E364-I412 WeakPolarHBondContact CA-O 3.39Å; E364-V413 HydrophobicContact CG-CG2 4.44Å
365	L	79.5	Confident	80	Confident	10 Å²	10	58.6 Å²	58.6	5%	0.052	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.3	175.1	-53.1	-175.6	0	0	0	111	F345 K346 E367 Y411 I412 L414 L486 L489	F345-L365 WeakPolarHBondContact O-CA 3.37Å; K346-L365 HydrophobicContact CB-CD2 3.42Å; K346-L365 VanDerWaalsContact CB-CD2 3.42Å; L365-E367 PolarHBondContact O-N 3.44Å; L365-Y411 VanDerWaalsContact O-CA 3.27Å; L365-Y411 WeakPolarHBondContact O-CA 3.05Å; L365-Y411 WeakPolarHBondContact O-CB 3.48Å; L365-I412 HydrophobicContact CB-CB 4.3Å; L365-I412 PolarHBondContact N-O 2.95Å; L365-I412 PolarHBondContact O-N 3.01Å; L365-L414 HydrophobicContact CD1-CD1 3.58Å; L365-L414 HydrophobicContact CD2-CD1 4.47Å; L365-L414 HydrophobicContact CG-CD1 3.57Å; L365-L486 HydrophobicContact CD1-CD2 3.79Å; L365-L486 HydrophobicContact CD2-CD2 3.84Å; L365-L489 HydrophobicContact CD1-CD1 3.79Å
366	Q	73.5	Confident	78.9	Confident	82 Å²	82	56.2 Å²	56.2	38%	0.383	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	111.6	-179.1	-62.5	-173.9	11.9	0	0	111.3	F345 S368	F345-Q366 PolarHBondContact O-N 3.2Å; Q366-S368 VanDerWaalsContact C-N 3.26Å; Q366-S368 PolarHBondContact O-N 2.92Å
367	E	66.2	Low	77.7	Confident	16 Å²	16	56.9 Å²	56.9	8%	0.075	30%	0.304	C	S	.	.			trans	-72.4	-14.5	-171.6	-158.1	-162.2	89.1	0	0	114.1	L365 K369 L370 R375 K410	L365-E367 PolarHBondContact O-N 3.44Å; E367-K369 PolarHBondContact O-N 3.48Å; E367-L370 PolarHBondContact O-N 3.11Å; E367-R375 VanDerWaalsContact CD-CZ 3.42Å; E367-R375 IonicContact OE1-CZ 3.74Å; E367-R375 VanDerWaalsContact OE1-CZ 3.26Å; E367-R375 IonicContact OE1-NH1 3.37Å; E367-R375 PolarHBondContact OE1-NH1 3.06Å; E367-R375 VanDerWaalsContact OE1-NH1 3.11Å; E367-R375 IonicContact OE1-NH2 3.78Å; E367-R375 PolarHBondContact OE1-NH2 2.9Å; E367-R375 IonicContact OE2-CZ 2.68Å; E367-R375 IonicContact OE2-NH1 2.73Å; E367-R375 PolarHBondContact OE2-NH1 2.99Å; E367-R375 IonicContact OE2-NH2 3.61Å; E367-K410 HydrophobicContact CB-CB 4.09Å; E367-K410 WeakPolarHBondContact CB-O 3.46Å; E367-K410 HydrophobicContact CG-CB 4.36Å; E367-K410 PolarHBondContact N-O 3.05Å; E367-K410 VanDerWaalsContact OE1-CB 3.31Å; E367-K410 WeakPolarHBondContact OE1-CB 3.31Å; E367-K410 VanDerWaalsContact OE1-CD 3.25Å; E367-K410 WeakPolarHBondContact OE1-CD 3.2Å; E367-K410 VanDerWaalsContact OE2-CB 3.22Å; E367-K410 WeakPolarHBondContact OE2-CB 3.49Å
368	S	59.1	Low	76.7	Confident	78 Å²	78	54.2 Å²	54.2	55%	0.545	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	20.9	-170.3	63.7	0	0	0	0	115.9	Q366	Q366-S368 VanDerWaalsContact C-N 3.26Å; Q366-S368 PolarHBondContact O-N 2.92Å
369	K	59.2	Low	75.8	Confident	147 Å²	147	54.9 Å²	54.9	64%	0.639	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.1	1.9	173.5	-64.4	178.9	-178.7	172.9	0	113	F345 E367	F345-K369 HydrophobicContact CD1-CD 4.13Å; F345-K369 HydrophobicContact CE1-CD 3.69Å; E367-K369 PolarHBondContact O-N 3.48Å
370	L	62.7	Low	74.9	Confident	42 Å²	42	57.8 Å²	57.8	22%	0.22	28%	0.278	C	S	.	.			trans	-107.2	123.7	-175.3	-76.6	162.2	0	0	0	112	E367 E374 I412 L489	E367-L370 PolarHBondContact O-N 3.11Å; L370-E374 HydrophobicContact CD2-CB 3.85Å; L370-I412 HydrophobicContact CD1-CD1 4.3Å; L370-L489 HydrophobicContact CD2-CD2 4.16Å
371	N	65.9	Low	73.9	Confident	107 Å²	107	58.5 Å²	58.5	57%	0.572	28%	0.282	S	S	*	.			trans	-75.5	164	177.3	-163	-2.6	0	0	0	111.8	T373 E374 R375	N371-T373 VanDerWaalsContact C-N 3.28Å; N371-T373 PolarHBondContact O-N 2.69Å; N371-E374 HydrophobicContact CB-CG 4.31Å; N371-E374 VanDerWaalsContact CB-OE2 3.26Å; N371-E374 WeakPolarHBondContact CB-OE2 3.32Å; N371-E374 PolarHBondContact N-OE2 2.77Å; N371-E374 PolarHBondContact O-N 3.21Å; N371-E374 VanDerWaalsContact O-N 3.17Å; N371-R375 PolarHBondContact O-N 3.21Å
372	K	71.9	Confident	73	Confident	169 Å²	169	58.1 Å²	58.1	74%	0.735	28%	0.279	S	S	*	.	H	α-helix	trans	-55.3	-40.7	-178.1	-172.7	-178.4	176.9	-172.9	0	112.6	Q376	K372-Q376 PolarHBondContact O-N 3.28Å; K372-Q376 VanDerWaalsContact O-N 3.16Å
373	T	67.6	Low	72.4	Confident	83 Å²	83	62.6 Å²	62.6	51%	0.509	30%	0.299	S	S	.	.	H	α-helix	trans	-71.4	-38.7	179.3	-46.9	0	0	0	0	112.4	N371 Q376 R377	N371-T373 VanDerWaalsContact C-N 3.28Å; N371-T373 PolarHBondContact O-N 2.69Å; T373-Q376 PolarHBondContact O-N 2.9Å; T373-R377 PolarHBondContact O-N 2.85Å; T373-R377 VanDerWaalsContact O-N 3.12Å
374	E	65.7	Low	71.7	Confident	42 Å²	42	65.7 Å²	65.7	20%	0.196	31%	0.314	C	S	.	.	H	α-helix	trans	-67.1	-40.9	177.5	-61.1	173.1	126.1	0	0	110.8	L370 N371 Q376 R377 F378 S493	L370-E374 HydrophobicContact CD2-CB 3.85Å; N371-E374 HydrophobicContact CB-CG 4.31Å; N371-E374 VanDerWaalsContact CB-OE2 3.26Å; N371-E374 WeakPolarHBondContact CB-OE2 3.32Å; N371-E374 PolarHBondContact N-OE2 2.77Å; N371-E374 PolarHBondContact O-N 3.21Å; N371-E374 VanDerWaalsContact O-N 3.17Å; E374-Q376 VanDerWaalsContact C-N 3.33Å; E374-Q376 PolarHBondContact O-N 3.44Å; E374-R377 PolarHBondContact O-N 3.08Å; E374-F378 WeakPolarHBondContact O-CB 3.3Å; E374-F378 PolarHBondContact O-N 2.85Å; E374-S493 VanDerWaalsContact OE1-CB 3.26Å; E374-S493 WeakPolarHBondContact OE1-CB 3.49Å
375	R	70.5	Confident	71.4	Confident	33 Å²	33	64.6 Å²	64.6	13%	0.125	31%	0.308	C	S	.	.	H	α-helix	trans	-60.7	-38.2	172.1	-173.6	-152.7	-55.7	-99.7	-16.3	112.8	E367 N371 F378 R379 E401	E367-R375 VanDerWaalsContact CD-CZ 3.42Å; E367-R375 IonicContact OE1-CZ 3.74Å; E367-R375 VanDerWaalsContact OE1-CZ 3.26Å; E367-R375 IonicContact OE1-NH1 3.37Å; E367-R375 PolarHBondContact OE1-NH1 3.06Å; E367-R375 VanDerWaalsContact OE1-NH1 3.11Å; E367-R375 IonicContact OE1-NH2 3.78Å; E367-R375 PolarHBondContact OE1-NH2 2.9Å; E367-R375 IonicContact OE2-CZ 2.68Å; E367-R375 IonicContact OE2-NH1 2.73Å; E367-R375 PolarHBondContact OE2-NH1 2.99Å; E367-R375 IonicContact OE2-NH2 3.61Å; N371-R375 PolarHBondContact O-N 3.21Å; R375-F378 PolarHBondContact O-N 3.31Å; R375-R379 PolarHBondContact O-N 2.94Å; R375-R379 VanDerWaalsContact O-N 3.16Å; R375-E401 WeakPolarHBondContact CD-OE2 3.33Å; R375-E401 IonicContact CZ-OE2 2.74Å; R375-E401 IonicContact NE-OE2 2.83Å; R375-E401 IonicContact NH1-OE2 3.1Å; R375-E401 PolarHBondContact NH1-OE2 2.84Å
376	Q	72	Confident	71.7	Confident	79 Å²	79	66.1 Å²	66.1	37%	0.369	32%	0.315	S	S	.	.	H	α-helix	trans	-65.6	-48.7	177.1	177.4	56.4	30.5	0	0	111	K372 T373 E374 F378 R379 E380	K372-Q376 PolarHBondContact O-N 3.28Å; K372-Q376 VanDerWaalsContact O-N 3.16Å; T373-Q376 PolarHBondContact O-N 2.9Å; E374-Q376 VanDerWaalsContact C-N 3.33Å; E374-Q376 PolarHBondContact O-N 3.44Å; Q376-F378 VanDerWaalsContact C-N 3.29Å; Q376-F378 PolarHBondContact O-N 3.24Å; Q376-R379 PolarHBondContact O-N 3.5Å; Q376-R379 VanDerWaalsContact O-N 3.1Å; Q376-E380 WeakPolarHBondContact CG-OE1 3.46Å; Q376-E380 PolarHBondContact NE2-OE1 3.12Å; Q376-E380 PolarHBondContact O-N 2.92Å
377	R	67.5	Low	72.2	Confident	92 Å²	92	68.5 Å²	68.5	35%	0.347	33%	0.33	S	S	.	.	H	α-helix	trans	-59.7	-40.1	174.4	-70.7	-174.5	-176.4	139.6	4.6	112.2	T373 E374 R379 E380 E381 K492	T373-R377 PolarHBondContact O-N 2.85Å; T373-R377 VanDerWaalsContact O-N 3.12Å; E374-R377 PolarHBondContact O-N 3.08Å; R377-R379 VanDerWaalsContact C-N 3.27Å; R377-R379 PolarHBondContact O-N 3.26Å; R377-E380 PolarHBondContact O-N 3.49Å; R377-E381 WeakPolarHBondContact O-CB 3.5Å; R377-E381 VanDerWaalsContact O-CG 3.23Å; R377-E381 WeakPolarHBondContact O-CG 3.49Å; R377-E381 PolarHBondContact O-N 2.95Å; R377-K492 VanDerWaalsContact NH1-CB 3.35Å
378	F	72	Confident	73.2	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-56.2	-41.8	174.8	176.1	-99.2	0	0	0	112.4	E374 R375 Q376 E381 A382 Y399 I412 L414 L489	E374-F378 WeakPolarHBondContact O-CB 3.3Å; E374-F378 PolarHBondContact O-N 2.85Å; R375-F378 PolarHBondContact O-N 3.31Å; Q376-F378 VanDerWaalsContact C-N 3.29Å; Q376-F378 PolarHBondContact O-N 3.24Å; F378-E381 PolarHBondContact O-N 2.96Å; F378-A382 HydrophobicContact CD1-CB 4.38Å; F378-A382 HydrophobicContact CD2-CB 4.4Å; F378-A382 HydrophobicContact CE1-CB 3.77Å; F378-A382 HydrophobicContact CE2-CB 3.86Å; F378-A382 HydrophobicContact CZ-CB 3.51Å; F378-A382 WeakPolarHBondContact O-CB 3.43Å; F378-A382 PolarHBondContact O-N 3.41Å; F378-Y399 AromaticContact CE1-CD2 3.73Å; F378-Y399 HydrophobicContact CE1-CD2 3.73Å; F378-Y399 HydrophobicContact CE1-CE2 4.09Å; F378-Y399 HydrophobicContact CE1-CG 4.33Å; F378-Y399 HydrophobicContact CZ-CD2 4.42Å; F378-I412 HydrophobicContact CD1-CD1 3.68Å; F378-I412 HydrophobicContact CD1-CG2 4.16Å; F378-I412 HydrophobicContact CE1-CD1 3.92Å; F378-I412 HydrophobicContact CE1-CG2 3.32Å; F378-I412 HydrophobicContact CG-CD1 4.22Å; F378-I412 HydrophobicContact CZ-CG2 3.64Å; F378-L414 HydrophobicContact CE2-CD2 4.07Å; F378-L414 HydrophobicContact CZ-CD1 4.4Å; F378-L414 HydrophobicContact CZ-CD2 3.8Å; F378-L414 HydrophobicContact CZ-CG 4.1Å; F378-L489 HydrophobicContact CB-CD2 3.73Å; F378-L489 HydrophobicContact CD2-CD1 3.86Å; F378-L489 HydrophobicContact CD2-CD2 3.48Å; F378-L489 VanDerWaalsContact CD2-CD2 3.48Å; F378-L489 HydrophobicContact CD2-CG 3.54Å; F378-L489 HydrophobicContact CE2-CD1 4.08Å; F378-L489 HydrophobicContact CE2-CD2 4.48Å; F378-L489 HydrophobicContact CE2-CG 4.16Å; F378-L489 HydrophobicContact CG-CD2 3.92Å; F378-L489 HydrophobicContact CG-CG 4.46Å
379	R	75.5	Confident	74.7	Confident	82 Å²	82	70.4 Å²	70.4	31%	0.309	33%	0.33	S	S	.	.	H	α-helix	trans	-65.7	-40.3	178.6	-72.2	-170.6	-68	-121.5	7.3	112.4	R375 Q376 R377 E383 Y399 E401	R375-R379 PolarHBondContact O-N 2.94Å; R375-R379 VanDerWaalsContact O-N 3.16Å; Q376-R379 PolarHBondContact O-N 3.5Å; Q376-R379 VanDerWaalsContact O-N 3.1Å; R377-R379 VanDerWaalsContact C-N 3.27Å; R377-R379 PolarHBondContact O-N 3.26Å; R379-E383 WeakPolarHBondContact O-CB 3.48Å; R379-E383 PolarHBondContact O-N 3Å; R379-Y399 WeakPolarHBondContact CA-OH 3.5Å; R379-Y399 WeakPolarHBondContact CB-OH 3.4Å; R379-Y399 HydrophobicContact CG-CE2 4.04Å; R379-Y399 PolarHBondContact O-OH 3.45Å; R379-E401 WeakPolarHBondContact CD-OE1 3.37Å; R379-E401 IonicContact CZ-OE1 2.76Å; R379-E401 IonicContact NE-OE1 3.5Å; R379-E401 IonicContact NH1-OE1 3.77Å; R379-E401 PolarHBondContact NH1-OE1 3.26Å; R379-E401 IonicContact NH1-OE2 3.93Å
380	E	75.5	Confident	76.4	Confident	99 Å²	99	65.4 Å²	65.4	46%	0.463	31%	0.309	S	S	.	.	H	α-helix	trans	-63.6	-49.1	175.4	-67.3	155.4	-171.5	0	0	110.8	Q376 R377 E383 M384	Q376-E380 WeakPolarHBondContact CG-OE1 3.46Å; Q376-E380 PolarHBondContact NE2-OE1 3.12Å; Q376-E380 PolarHBondContact O-N 2.92Å; R377-E380 PolarHBondContact O-N 3.49Å; E380-E383 PolarHBondContact O-N 3.19Å; E380-M384 WeakPolarHBondContact O-CG 3.17Å; E380-M384 PolarHBondContact O-N 3.35Å
381	E	75.1	Confident	77.9	Confident	16 Å²	16	67.7 Å²	67.7	8%	0.075	33%	0.327	C	S	.	.	H	α-helix	trans	-64	-46.8	178.7	-67.5	169.7	169.2	0	0	112.3	R377 F378 E383 M384 L385 T488 L489 N491	R377-E381 WeakPolarHBondContact O-CB 3.5Å; R377-E381 VanDerWaalsContact O-CG 3.23Å; R377-E381 WeakPolarHBondContact O-CG 3.49Å; R377-E381 PolarHBondContact O-N 2.95Å; F378-E381 PolarHBondContact O-N 2.96Å; E381-E383 VanDerWaalsContact C-N 3.31Å; E381-E383 PolarHBondContact O-N 3.07Å; E381-M384 HydrophobicContact CG-CE 4.41Å; E381-M384 WeakPolarHBondContact O-CB 3.49Å; E381-M384 PolarHBondContact O-N 2.99Å; E381-L385 WeakPolarHBondContact O-CG 3.44Å; E381-L385 PolarHBondContact O-N 3.48Å; E381-T488 HydrophobicContact CB-CG2 4.31Å; E381-T488 WeakPolarHBondContact CB-OG1 3.39Å; E381-T488 WeakPolarHBondContact OE2-CB 3.41Å; E381-T488 PolarHBondContact OE2-OG1 2.86Å; E381-L489 PolarHBondContact OE2-N 3.21Å; E381-N491 PolarHBondContact OE1-ND2 2.82Å
382	A	78.7	Confident	79.4	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-72.2	-20.8	-179	0	0	0	0	0	113.6	F378 F396 Y399	F378-A382 HydrophobicContact CD1-CB 4.38Å; F378-A382 HydrophobicContact CD2-CB 4.4Å; F378-A382 HydrophobicContact CE1-CB 3.77Å; F378-A382 HydrophobicContact CE2-CB 3.86Å; F378-A382 HydrophobicContact CZ-CB 3.51Å; F378-A382 WeakPolarHBondContact O-CB 3.43Å; F378-A382 PolarHBondContact O-N 3.41Å; A382-F396 HydrophobicContact CB-CZ 4.43Å; A382-F396 WeakPolarHBondContact O-CE1 3.41Å; A382-Y399 HydrophobicContact CB-CD1 3.39Å; A382-Y399 HydrophobicContact CB-CD2 4.22Å; A382-Y399 HydrophobicContact CB-CE1 3.59Å; A382-Y399 HydrophobicContact CB-CE2 4.41Å; A382-Y399 HydrophobicContact CB-CG 3.75Å; A382-Y399 WeakPolarHBondContact O-CD1 3.47Å
383	E	80.7	Confident	80.5	Confident	93 Å²	93	55.1 Å²	55.1	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-71.7	-46.7	167.1	-155.1	67.2	-153.6	0	0	110.2	R379 E380 E381 L385 K386 Y399	R379-E383 WeakPolarHBondContact O-CB 3.48Å; R379-E383 PolarHBondContact O-N 3Å; E380-E383 PolarHBondContact O-N 3.19Å; E381-E383 VanDerWaalsContact C-N 3.31Å; E381-E383 PolarHBondContact O-N 3.07Å; E383-L385 PolarHBondContact O-N 2.94Å; E383-K386 WeakPolarHBondContact O-CB 3.37Å; E383-K386 PolarHBondContact O-N 3.03Å; E383-K386 WeakPolarHBondContact OE1-CD 3.5Å; E383-K386 IonicContact OE1-NZ 3.95Å; E383-K386 PolarHBondContact OE1-NZ 3.3Å; E383-K386 WeakPolarHBondContact OE2-CE 3.47Å; E383-K386 IonicContact OE2-NZ 2.71Å; E383-K386 PolarHBondContact OE2-NZ 3.12Å; E383-Y399 HydrophobicContact CB-CE1 4.43Å; E383-Y399 WeakPolarHBondContact OE2-CE1 3.38Å
384	M	78.3	Confident	81.7	Confident	82 Å²	82	51.9 Å²	51.9	40%	0.404	25%	0.248	S	C	.	.	H	α-helix	trans	-57.1	-32.7	174.3	-67.3	-168.1	-65.4	0	0	112.9	E380 E381 K386 D387 P458	E380-M384 WeakPolarHBondContact O-CG 3.17Å; E380-M384 PolarHBondContact O-N 3.35Å; E381-M384 HydrophobicContact CG-CE 4.41Å; E381-M384 WeakPolarHBondContact O-CB 3.49Å; E381-M384 PolarHBondContact O-N 2.99Å; M384-K386 VanDerWaalsContact C-N 3.28Å; M384-K386 PolarHBondContact O-N 3.1Å; M384-D387 PolarHBondContact O-N 3.28Å; M384-P458 HydrophobicContact CE-CG 4.41Å; M384-P458 HydrophobicContact SD-CG 3.89Å
385	L	82.5	Confident	83.1	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-65.9	-24.9	178.2	-68.4	179.3	0	0	0	113.6	E381 E383 D387 L388 F396 L484	E381-L385 WeakPolarHBondContact O-CG 3.44Å; E381-L385 PolarHBondContact O-N 3.48Å; E383-L385 PolarHBondContact O-N 2.94Å; L385-D387 VanDerWaalsContact C-N 3.32Å; L385-D387 PolarHBondContact O-N 3.46Å; L385-L388 HydrophobicContact CD2-CD1 3.5Å; L385-L388 HydrophobicContact CD2-CG 4.49Å; L385-L388 WeakPolarHBondContact O-CB 3.49Å; L385-L388 PolarHBondContact O-N 2.95Å; L385-F396 HydrophobicContact CB-CB 4.45Å; L385-F396 HydrophobicContact CB-CD1 3.95Å; L385-F396 HydrophobicContact CB-CD2 4.26Å; L385-F396 HydrophobicContact CB-CE1 4.17Å; L385-F396 HydrophobicContact CB-CE2 4.48Å; L385-F396 HydrophobicContact CB-CG 3.99Å; L385-F396 HydrophobicContact CB-CZ 4.42Å; L385-F396 HydrophobicContact CD1-CE2 4.32Å; L385-F396 WeakPolarHBondContact O-CB 3.32Å; L385-L484 HydrophobicContact CD1-CB 4.49Å; L385-L484 HydrophobicContact CD2-CB 3.92Å; L385-L484 HydrophobicContact CD2-CD1 4.46Å
386	K	85.8	Confident	84.1	Confident	43 Å²	43	52.8 Å²	52.8	19%	0.187	25%	0.25	C	C	.	.	H	α-helix	trans	-64.5	-34.1	179.5	-67.9	170.1	173.9	173.4	0	113.1	E383 M384 L388 F396 D398	E383-K386 WeakPolarHBondContact O-CB 3.37Å; E383-K386 PolarHBondContact O-N 3.03Å; E383-K386 WeakPolarHBondContact OE1-CD 3.5Å; E383-K386 IonicContact OE1-NZ 3.95Å; E383-K386 PolarHBondContact OE1-NZ 3.3Å; E383-K386 WeakPolarHBondContact OE2-CE 3.47Å; E383-K386 IonicContact OE2-NZ 2.71Å; E383-K386 PolarHBondContact OE2-NZ 3.12Å; M384-K386 VanDerWaalsContact C-N 3.28Å; M384-K386 PolarHBondContact O-N 3.1Å; K386-L388 VanDerWaalsContact C-N 3.29Å; K386-L388 PolarHBondContact O-N 3.33Å; K386-F396 HydrophobicContact CB-CD1 4.49Å; K386-F396 HydrophobicContact CG-CD1 3.82Å; K386-F396 HydrophobicContact CG-CE1 4.06Å; K386-D398 WeakPolarHBondContact CE-OD1 3.47Å; K386-D398 IonicContact NZ-OD1 3.53Å; K386-D398 PolarHBondContact NZ-OD1 3.02Å
387	D	83.2	Confident	85	Confident	131 Å²	131	51.4 Å²	51.4	70%	0.701	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-5	-178.9	-69.9	-31.8	0	0	0	113.3	M384 L385 Q389	M384-D387 PolarHBondContact O-N 3.28Å; L385-D387 VanDerWaalsContact C-N 3.32Å; L385-D387 PolarHBondContact O-N 3.46Å; D387-Q389 PolarHBondContact O-N 2.91Å
388	L	87.2	Confident	86.2	Confident	11 Å²	11	48.5 Å²	48.5	6%	0.058	23%	0.233	C	C	.	.			trans	-76.4	91.6	-179.9	-60.9	-170.2	0	0	0	112.2	L385 K386 F452 L453 R456 L484	L385-L388 HydrophobicContact CD2-CD1 3.5Å; L385-L388 HydrophobicContact CD2-CG 4.49Å; L385-L388 WeakPolarHBondContact O-CB 3.49Å; L385-L388 PolarHBondContact O-N 2.95Å; K386-L388 VanDerWaalsContact C-N 3.29Å; K386-L388 PolarHBondContact O-N 3.33Å; L388-F452 HydrophobicContact CB-CE1 4.12Å; L388-F452 HydrophobicContact CD2-CE1 3.96Å; L388-F452 HydrophobicContact CD2-CZ 4.32Å; L388-L453 HydrophobicContact CD1-CD2 3.79Å; L388-R456 HydrophobicContact CD2-CG 3.73Å; L388-L484 HydrophobicContact CD1-CD1 4.06Å
389	Q	91.5	Very high	87	Confident	123 Å²	123	50 Å²	50	58%	0.575	24%	0.239	S	C	*	.			trans	-114.7	105.4	177.9	-53.3	-167.2	35	0	0	111.5	D387 R395	D387-Q389 PolarHBondContact O-N 2.91Å; Q389-R395 VanDerWaalsContact OE1-NH1 3.09Å
390	H	94.5	Very high	87.6	Confident	42 Å²	42	46.8 Å²	46.8	19%	0.194	23%	0.227	C	C	.	.			trans	-149.7	139.7	177.3	-179.2	-101	0	0	0	110.5	N392 I393 K448 F452	H390-N392 PolarHBondContact ND1-N 2.82Å; H390-N392 PolarHBondContact O-N 2.76Å; H390-N392 VanDerWaalsContact O-N 3.08Å; H390-I393 HydrophobicContact CB-CB 4.24Å; H390-I393 HydrophobicContact CB-CG1 3.85Å; H390-I393 PolarHBondContact O-N 3.46Å; H390-K448 PolarHBondContact CE1-O 2.83Å; H390-F452 HydrophobicContact CB-CB 4.31Å; H390-F452 HydrophobicContact CB-CD1 3.58Å; H390-F452 HydrophobicContact CB-CD2 3.86Å; H390-F452 HydrophobicContact CB-CE1 3.75Å; H390-F452 HydrophobicContact CB-CE2 4.02Å; H390-F452 HydrophobicContact CB-CG 3.64Å; H390-F452 HydrophobicContact CB-CZ 3.97Å; H390-F452 AromaticContact CD2-CD2 3.86Å; H390-F452 AromaticContact CD2-CG 3.83Å; H390-F452 AromaticContact CG-CG 3.7Å
391	P	94.5	Very high	88.1	Confident	91 Å²	91	44.1 Å²	44.1	59%	0.591	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.7	-176	21.1	-35.2	0	0	0	114.7	K480	P391-K480 WeakPolarHBondContact O-CE 3.45Å; P391-K480 WeakPolarHBondContact O-CG 3.49Å
392	N	96.6	Very high	88.6	Confident	11 Å²	11	44.5 Å²	44.5	6%	0.059	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	18.5	177.7	-53.9	117	0	0	0	114.1	H390 Q445 V479 K480 I481	H390-N392 PolarHBondContact ND1-N 2.82Å; H390-N392 PolarHBondContact O-N 2.76Å; H390-N392 VanDerWaalsContact O-N 3.08Å; N392-Q445 HydrophobicContact CB-CB 4.48Å; N392-Q445 VanDerWaalsContact CB-O 3.24Å; N392-Q445 WeakPolarHBondContact CB-O 3.45Å; N392-Q445 WeakPolarHBondContact ND2-CB 3.4Å; N392-Q445 PolarHBondContact ND2-OE1 3.41Å; N392-V479 WeakPolarHBondContact CA-O 3.31Å; N392-V479 WeakPolarHBondContact CB-O 3.37Å; N392-V479 PolarHBondContact ND2-O 3.32Å; N392-K480 WeakPolarHBondContact O-CA 3.48Å; N392-I481 PolarHBondContact O-N 2.98Å
393	I	95	Very high	88.5	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-115	145.7	166.9	-58.6	-60.8	0	0	0	108.1	H390 R395 F452 L453 K480 I481 L484	H390-I393 HydrophobicContact CB-CB 4.24Å; H390-I393 HydrophobicContact CB-CG1 3.85Å; H390-I393 PolarHBondContact O-N 3.46Å; I393-R395 PolarHBondContact O-N 3.16Å; I393-F452 HydrophobicContact CG1-CD1 4.07Å; I393-F452 HydrophobicContact CG1-CE1 4.49Å; I393-L453 HydrophobicContact CD1-CD1 3.81Å; I393-L453 HydrophobicContact CD1-CD2 4.11Å; I393-L453 HydrophobicContact CD1-CG 3.91Å; I393-L453 HydrophobicContact CG1-CD2 4.47Å; I393-K480 PolarHBondContact O-NZ 3.08Å; I393-I481 WeakPolarHBondContact CA-O 3.46Å; I393-I481 HydrophobicContact CD1-CB 3.98Å; I393-I481 HydrophobicContact CD1-CD1 4.25Å; I393-I481 HydrophobicContact CD1-CG1 4.41Å; I393-L484 HydrophobicContact CG2-CD1 3.72Å
394	V	94.5	Very high	88.1	Confident	15 Å²	15	45.5 Å²	45.5	9%	0.091	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-72.2	120.4	169.7	176.9	0	0	0	0	107.6	F396 E417 M419 F471 K480 I481	V394-F396 PolarHBondContact O-N 3.14Å; V394-E417 HydrophobicContact CG1-CB 3.9Å; V394-M419 HydrophobicContact CG1-CG 4.22Å; V394-M419 HydrophobicContact CG2-CG 3.87Å; V394-M419 HydrophobicContact CG2-SD 4.19Å; V394-F471 HydrophobicContact CG2-CD2 3.84Å; V394-F471 HydrophobicContact CG2-CE2 4.48Å; V394-F471 HydrophobicContact CG2-CG 4.45Å; V394-K480 HydrophobicContact CG2-CB 3.75Å; V394-I481 PolarHBondContact N-O 2.67Å
395	R	93.1	Very high	87.4	Confident	78 Å²	78	50.4 Å²	50.4	29%	0.294	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-63.6	128.6	-175.1	174.3	175.6	171.3	91.8	16.3	111	Q389 I393 Y397 T416 E417	Q389-R395 VanDerWaalsContact OE1-NH1 3.09Å; I393-R395 PolarHBondContact O-N 3.16Å; R395-Y397 HydrophobicContact CG-CD1 4.38Å; R395-Y397 HydrophobicContact CG-CE1 4.17Å; R395-Y397 VanDerWaalsContact NE-CD1 3.33Å; R395-T416 CarbonylContact O-C 3.58Å; R395-T416 VanDerWaalsContact O-CA 3.28Å; R395-T416 WeakPolarHBondContact O-CA 3.47Å; R395-T416 WeakPolarHBondContact O-CB 3.47Å; R395-E417 HydrophobicContact CB-CB 4.15Å; R395-E417 PolarHBondContact N-OE2 2.88Å; R395-E417 PolarHBondContact O-N 2.94Å
396	F	91.7	Very high	86.5	Confident	15 Å²	15	54.4 Å²	54.4	7%	0.066	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	138.7	163.7	-156	-103.6	0	0	0	109.2	A382 L385 K386 V394 Y399 L414 T416	A382-F396 HydrophobicContact CB-CZ 4.43Å; A382-F396 WeakPolarHBondContact O-CE1 3.41Å; L385-F396 HydrophobicContact CB-CB 4.45Å; L385-F396 HydrophobicContact CB-CD1 3.95Å; L385-F396 HydrophobicContact CB-CD2 4.26Å; L385-F396 HydrophobicContact CB-CE1 4.17Å; L385-F396 HydrophobicContact CB-CE2 4.48Å; L385-F396 HydrophobicContact CB-CG 3.99Å; L385-F396 HydrophobicContact CB-CZ 4.42Å; L385-F396 HydrophobicContact CD1-CE2 4.32Å; L385-F396 WeakPolarHBondContact O-CB 3.32Å; K386-F396 HydrophobicContact CB-CD1 4.49Å; K386-F396 HydrophobicContact CG-CD1 3.82Å; K386-F396 HydrophobicContact CG-CE1 4.06Å; V394-F396 PolarHBondContact O-N 3.14Å; F396-Y399 HydrophobicContact CE1-CD1 4.3Å; F396-L414 HydrophobicContact CE2-CB 3.95Å; F396-L414 HydrophobicContact CE2-CD2 3.79Å; F396-L414 HydrophobicContact CE2-CG 4.36Å; F396-L414 HydrophobicContact CZ-CB 4.11Å; F396-L414 HydrophobicContact CZ-CD2 3.95Å; F396-L414 HydrophobicContact CZ-CG 4.3Å; F396-T416 HydrophobicContact CD2-CG2 3.82Å; F396-T416 HydrophobicContact CE2-CG2 4.31Å
397	Y	92.4	Very high	85.5	Confident	50 Å²	50	54.9 Å²	54.9	20%	0.196	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	-54	178	-69.2	-75.5	0	0	0	112.2	F333 V360 R395 V415 E417	F333-Y397 HydrophobicContact CE1-CG 4.41Å; F333-Y397 HydrophobicContact CZ-CG 4.4Å; V360-Y397 HydrophobicContact CG1-CD2 4.01Å; V360-Y397 HydrophobicContact CG1-CE2 3.7Å; R395-Y397 HydrophobicContact CG-CD1 4.38Å; R395-Y397 HydrophobicContact CG-CE1 4.17Å; R395-Y397 VanDerWaalsContact NE-CD1 3.33Å; Y397-V415 HydrophobicContact CD2-CG1 4.18Å; Y397-V415 PolarHBondContact N-O 2.61Å; Y397-E417 HydrophobicContact CE2-CB 4.3Å
398	D	91.5	Very high	84.8	Confident	32 Å²	32	57 Å²	57	17%	0.171	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	168.4	-176.5	-159.1	7	0	0	0	111.2	F333 K386 W400 V415	F333-D398 HydrophobicContact CE2-CB 3.71Å; F333-D398 HydrophobicContact CZ-CB 4.4Å; K386-D398 WeakPolarHBondContact CE-OD1 3.47Å; K386-D398 IonicContact NZ-OD1 3.53Å; K386-D398 PolarHBondContact NZ-OD1 3.02Å; D398-W400 HydrophobicContact CB-CZ3 4.31Å; D398-V415 PolarHBondContact O-N 2.93Å
399	Y	89	Confident	84	Confident	31 Å²	31	62 Å²	62	12%	0.122	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	157.1	170.3	84.6	-90.7	0	0	0	111.6	F378 R379 A382 E383 F396 V413	F378-Y399 AromaticContact CE1-CD2 3.73Å; F378-Y399 HydrophobicContact CE1-CD2 3.73Å; F378-Y399 HydrophobicContact CE1-CE2 4.09Å; F378-Y399 HydrophobicContact CE1-CG 4.33Å; F378-Y399 HydrophobicContact CZ-CD2 4.42Å; R379-Y399 WeakPolarHBondContact CA-OH 3.5Å; R379-Y399 WeakPolarHBondContact CB-OH 3.4Å; R379-Y399 HydrophobicContact CG-CE2 4.04Å; R379-Y399 PolarHBondContact O-OH 3.45Å; A382-Y399 HydrophobicContact CB-CD1 3.39Å; A382-Y399 HydrophobicContact CB-CD2 4.22Å; A382-Y399 HydrophobicContact CB-CE1 3.59Å; A382-Y399 HydrophobicContact CB-CE2 4.41Å; A382-Y399 HydrophobicContact CB-CG 3.75Å; A382-Y399 WeakPolarHBondContact O-CD1 3.47Å; E383-Y399 HydrophobicContact CB-CE1 4.43Å; E383-Y399 WeakPolarHBondContact OE2-CE1 3.38Å; F396-Y399 HydrophobicContact CE1-CD1 4.3Å; Y399-V413 CarbonylContact C-O 3.58Å; Y399-V413 WeakPolarHBondContact CA-O 3.24Å; Y399-V413 WeakPolarHBondContact CB-O 3.47Å
400	W	89.2	Confident	83.3	Confident	15 Å²	15	61 Å²	61	6%	0.057	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	153.8	167.2	58.2	86.6	0	0	0	113.1	K329 F333 W362 D398 S402 V413 V415	K329-W400 HydrophobicContact CD-CB 4.16Å; K329-W400 HydrophobicContact CD-CG 4.27Å; K329-W400 HydrophobicContact CG-CG 4.36Å; F333-W400 HydrophobicContact CB-CH2 4.34Å; F333-W400 HydrophobicContact CD2-CH2 4.08Å; F333-W400 AromaticContact CD2-CZ3 3.93Å; F333-W400 HydrophobicContact CD2-CZ3 3.93Å; W362-W400 HydrophobicContact CE3-CH2 4.34Å; W362-W400 HydrophobicContact CE3-CZ2 4.34Å; W362-W400 HydrophobicContact CH2-CH2 4.29Å; W362-W400 AromaticContact CH2-CZ2 3.58Å; W362-W400 HydrophobicContact CH2-CZ2 3.58Å; W362-W400 HydrophobicContact CZ2-CZ2 4.02Å; W362-W400 AromaticContact CZ3-CH2 3.97Å; W362-W400 HydrophobicContact CZ3-CH2 3.97Å; W362-W400 AromaticContact CZ3-CZ2 3.73Å; W362-W400 HydrophobicContact CZ3-CZ2 3.73Å; D398-W400 HydrophobicContact CB-CZ3 4.31Å; W400-S402 VanDerWaalsContact CD1-OG 3.29Å; W400-S402 PolarHBondContact NE1-OG 2.86Å; W400-V413 HydrophobicContact CD2-CB 4.17Å; W400-V413 HydrophobicContact CH2-CB 4.37Å; W400-V413 HydrophobicContact CH2-CG1 3.8Å; W400-V413 HydrophobicContact CZ2-CB 3.72Å; W400-V413 HydrophobicContact CZ2-CG1 3.44Å; W400-V413 VanDerWaalsContact CZ2-CG1 3.44Å; W400-V413 HydrophobicContact CZ2-CG2 4.13Å; W400-V413 PolarHBondContact N-O 3.32Å; W400-V413 PolarHBondContact O-N 2.97Å; W400-V415 HydrophobicContact CH2-CG2 3.46Å; W400-V415 VanDerWaalsContact CH2-CG2 3.46Å; W400-V415 HydrophobicContact CZ3-CG2 3.67Å
401	E	85.6	Confident	82.7	Confident	43 Å²	43	60.3 Å²	60.3	20%	0.201	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	129.1	164.1	-73.3	171.8	-120.9	0	0	110.7	K329 R375 R379 I412	K329-E401 WeakPolarHBondContact CE-O 3.43Å; K329-E401 PolarHBondContact NZ-O 2.93Å; R375-E401 WeakPolarHBondContact CD-OE2 3.33Å; R375-E401 IonicContact CZ-OE2 2.74Å; R375-E401 IonicContact NE-OE2 2.83Å; R375-E401 IonicContact NH1-OE2 3.1Å; R375-E401 PolarHBondContact NH1-OE2 2.84Å; R379-E401 WeakPolarHBondContact CD-OE1 3.37Å; R379-E401 IonicContact CZ-OE1 2.76Å; R379-E401 IonicContact NE-OE1 3.5Å; R379-E401 IonicContact NH1-OE1 3.77Å; R379-E401 PolarHBondContact NH1-OE1 3.26Å; R379-E401 IonicContact NH1-OE2 3.93Å; E401-I412 HydrophobicContact CG-CG1 4.29Å
402	S	84.2	Confident	82.1	Confident	24 Å²	24	56 Å²	56	17%	0.168	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	170.3	172.1	-88	0	0	0	0	110.8	W400 K410 Y411	W400-S402 VanDerWaalsContact CD1-OG 3.29Å; W400-S402 PolarHBondContact NE1-OG 2.86Å; S402-K410 WeakPolarHBondContact O-CA 3.26Å; S402-Y411 VanDerWaalsContact CB-CE2 3.49Å; S402-Y411 VanDerWaalsContact CB-CZ 3.42Å; S402-Y411 PolarHBondContact N-O 3.44Å; S402-Y411 PolarHBondContact O-N 3.34Å
403	A	77.4	Confident	81.8	Confident	49 Å²	49	55.5 Å²	55.5	41%	0.405	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	147.4	168.9	0	0	0	0	0	110	R409 K410	A403-R409 WeakPolarHBondContact CA-O 3.31Å; A403-K410 HydrophobicContact CB-CG 4.23Å
404	D	71.9	Confident	81.6	Confident	64 Å²	64	55.9 Å²	55.9	34%	0.342	29%	0.287	S	S	.	.			trans	-55.4	155.8	177.3	-67.5	-1	0	0	0	110.1	C406 G407 R409 Y411	D404-C406 PolarHBondContact O-N 3.26Å; D404-G407 PolarHBondContact O-N 3.15Å; D404-R409 PolarHBondContact N-O 2.93Å; D404-R409 WeakPolarHBondContact OD2-CB 3.49Å; D404-Y411 VanDerWaalsContact OD1-CD1 3.3Å; D404-Y411 WeakPolarHBondContact OD1-CD1 3.43Å; D404-Y411 WeakPolarHBondContact OD1-CE1 3.49Å
405	L	63.9	Low	81.5	Confident	186 Å²	186	55.1 Å²	55.1	97%	0.974	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-14.2	178.9	-66.7	167.9	0	0	0	115
406	C	62.8	Low	81.6	Confident	87 Å²	87	52.8 Å²	52.8	59%	0.588	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-0.8	176.4	-162.6	0	0	0	0	113.5	D404 K408	D404-C406 PolarHBondContact O-N 3.26Å; C406-K408 PolarHBondContact O-N 3.47Å; C406-K408 VanDerWaalsContact SG-CE 3.52Å
407	G	66.6	Low	81.7	Confident	53 Å²	53	54.2 Å²	54.2	55%	0.546	28%	0.284	S	S	.	.	S	Bend	trans	70	-13.6	-178.4	0	0	0	0	0	116.3	D404 R409	D404-G407 PolarHBondContact O-N 3.15Å; G407-R409 PolarHBondContact O-N 2.88Å
408	K	67.7	Low	81.8	Confident	176 Å²	176	53.6 Å²	53.6	77%	0.765	28%	0.284	S	S	*	.	S	Bend	trans	-70.2	-26.9	-171	-68.7	175.9	-177.8	173.2	0	115.3	C406	C406-K408 PolarHBondContact O-N 3.47Å; C406-K408 VanDerWaalsContact SG-CE 3.52Å
409	R	69.8	Low	81.9	Confident	115 Å²	115	53.3 Å²	53.3	43%	0.434	28%	0.281	S	S	.	.			trans	-129.1	138.6	178	163.6	-178.8	-77.3	156.4	-4.4	108.8	A403 D404 G407	A403-R409 WeakPolarHBondContact CA-O 3.31Å; D404-R409 PolarHBondContact N-O 2.93Å; D404-R409 WeakPolarHBondContact OD2-CB 3.49Å; G407-R409 PolarHBondContact O-N 2.88Å
410	K	76.4	Confident	82	Confident	102 Å²	102	57.5 Å²	57.5	44%	0.443	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	153.9	170.1	-65.2	176.6	176.1	-176.5	0	110.1	E367 S402 A403	E367-K410 HydrophobicContact CB-CB 4.09Å; E367-K410 WeakPolarHBondContact CB-O 3.46Å; E367-K410 HydrophobicContact CG-CB 4.36Å; E367-K410 PolarHBondContact N-O 3.05Å; E367-K410 VanDerWaalsContact OE1-CB 3.31Å; E367-K410 WeakPolarHBondContact OE1-CB 3.31Å; E367-K410 VanDerWaalsContact OE1-CD 3.25Å; E367-K410 WeakPolarHBondContact OE1-CD 3.2Å; E367-K410 VanDerWaalsContact OE2-CB 3.22Å; E367-K410 WeakPolarHBondContact OE2-CB 3.49Å; S402-K410 WeakPolarHBondContact O-CA 3.26Å; A403-K410 HydrophobicContact CB-CG 4.23Å
411	Y	81.9	Confident	82.1	Confident	29 Å²	29	59.5 Å²	59.5	11%	0.114	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	158.3	174.7	60.6	-84.7	0	0	0	109.8	D326 E364 L365 S402 D404 V413	D326-Y411 PolarHBondContact OD2-OH 2.94Å; E364-Y411 HydrophobicContact CB-CD2 4.25Å; E364-Y411 HydrophobicContact CG-CD2 4.04Å; E364-Y411 HydrophobicContact CG-CE2 4.14Å; E364-Y411 WeakPolarHBondContact OE1-CE2 3.49Å; L365-Y411 VanDerWaalsContact O-CA 3.27Å; L365-Y411 WeakPolarHBondContact O-CA 3.05Å; L365-Y411 WeakPolarHBondContact O-CB 3.48Å; S402-Y411 VanDerWaalsContact CB-CE2 3.49Å; S402-Y411 VanDerWaalsContact CB-CZ 3.42Å; S402-Y411 PolarHBondContact N-O 3.44Å; S402-Y411 PolarHBondContact O-N 3.34Å; D404-Y411 VanDerWaalsContact OD1-CD1 3.3Å; D404-Y411 WeakPolarHBondContact OD1-CD1 3.43Å; D404-Y411 WeakPolarHBondContact OD1-CE1 3.49Å; Y411-V413 HydrophobicContact CD2-CG2 3.79Å; Y411-V413 HydrophobicContact CE2-CG2 3.52Å
412	I	83.8	Confident	82.4	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.9	177.1	-55.8	-177.3	0	0	0	107.8	E364 L365 L370 F378 E401 L414	E364-I412 CarbonylContact C-O 3.46Å; E364-I412 WeakPolarHBondContact CA-O 3.39Å; L365-I412 HydrophobicContact CB-CB 4.3Å; L365-I412 PolarHBondContact N-O 2.95Å; L365-I412 PolarHBondContact O-N 3.01Å; L370-I412 HydrophobicContact CD1-CD1 4.3Å; F378-I412 HydrophobicContact CD1-CD1 3.68Å; F378-I412 HydrophobicContact CD1-CG2 4.16Å; F378-I412 HydrophobicContact CE1-CD1 3.92Å; F378-I412 HydrophobicContact CE1-CG2 3.32Å; F378-I412 HydrophobicContact CG-CD1 4.22Å; F378-I412 HydrophobicContact CZ-CG2 3.64Å; E401-I412 HydrophobicContact CG-CG1 4.29Å; I412-L414 HydrophobicContact CG2-CD1 3.98Å; I412-L414 HydrophobicContact CG2-CG 4.48Å
413	V	90.1	Very high	82.9	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.7	171.1	-172.5	0	0	0	0	109.4	W362 C363 E364 Y399 W400 Y411 V415	W362-V413 HydrophobicContact CD2-CG1 3.76Å; W362-V413 HydrophobicContact CE3-CG1 4.33Å; W362-V413 HydrophobicContact CG-CG1 4.1Å; W362-V413 HydrophobicContact CZ2-CG1 4Å; W362-V413 HydrophobicContact CZ2-CG2 4.05Å; C363-V413 CarbonylContact O-C 3.58Å; C363-V413 VanDerWaalsContact O-CA 3.31Å; C363-V413 WeakPolarHBondContact O-CA 3.41Å; E364-V413 HydrophobicContact CG-CG2 4.44Å; Y399-V413 CarbonylContact C-O 3.58Å; Y399-V413 WeakPolarHBondContact CA-O 3.24Å; Y399-V413 WeakPolarHBondContact CB-O 3.47Å; W400-V413 HydrophobicContact CD2-CB 4.17Å; W400-V413 HydrophobicContact CH2-CB 4.37Å; W400-V413 HydrophobicContact CH2-CG1 3.8Å; W400-V413 HydrophobicContact CZ2-CB 3.72Å; W400-V413 HydrophobicContact CZ2-CG1 3.44Å; W400-V413 VanDerWaalsContact CZ2-CG1 3.44Å; W400-V413 HydrophobicContact CZ2-CG2 4.13Å; W400-V413 PolarHBondContact N-O 3.32Å; W400-V413 PolarHBondContact O-N 2.97Å; Y411-V413 HydrophobicContact CD2-CG2 3.79Å; Y411-V413 HydrophobicContact CE2-CG2 3.52Å; V413-V415 HydrophobicContact CG1-CG2 4.29Å
414	L	89.9	Confident	83.6	Confident	9 Å²	9	55.8 Å²	55.8	5%	0.047	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.4	170	-52	84.2	0	0	0	107.8	C363 L365 F378 F396 I412	C363-L414 HydrophobicContact CB-CB 4.31Å; C363-L414 WeakPolarHBondContact CB-O 3.24Å; C363-L414 PolarHBondContact N-O 3.34Å; C363-L414 PolarHBondContact O-N 3.12Å; L365-L414 HydrophobicContact CD1-CD1 3.58Å; L365-L414 HydrophobicContact CD2-CD1 4.47Å; L365-L414 HydrophobicContact CG-CD1 3.57Å; F378-L414 HydrophobicContact CE2-CD2 4.07Å; F378-L414 HydrophobicContact CZ-CD1 4.4Å; F378-L414 HydrophobicContact CZ-CD2 3.8Å; F378-L414 HydrophobicContact CZ-CG 4.1Å; F396-L414 HydrophobicContact CE2-CB 3.95Å; F396-L414 HydrophobicContact CE2-CD2 3.79Å; F396-L414 HydrophobicContact CE2-CG 4.36Å; F396-L414 HydrophobicContact CZ-CB 4.11Å; F396-L414 HydrophobicContact CZ-CD2 3.95Å; F396-L414 HydrophobicContact CZ-CG 4.3Å; I412-L414 HydrophobicContact CG2-CD1 3.98Å; I412-L414 HydrophobicContact CG2-CG 4.48Å
415	V	93.6	Very high	84.6	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.1	-179.4	-174.2	0	0	0	0	110.3	F333 V360 A361 Y397 D398 W400 V413	F333-V415 HydrophobicContact CB-CG2 4.34Å; F333-V415 HydrophobicContact CD1-CG1 3.73Å; F333-V415 HydrophobicContact CD2-CB 4.44Å; F333-V415 HydrophobicContact CD2-CG1 4.39Å; F333-V415 HydrophobicContact CD2-CG2 4.02Å; F333-V415 HydrophobicContact CE1-CG1 3.9Å; F333-V415 HydrophobicContact CG-CB 4.47Å; F333-V415 HydrophobicContact CG-CG1 3.98Å; F333-V415 HydrophobicContact CG-CG2 4.08Å; F333-V415 HydrophobicContact CZ-CG1 4.32Å; V360-V415 HydrophobicContact CB-CG1 3.75Å; V360-V415 HydrophobicContact CG1-CG1 4.18Å; V360-V415 HydrophobicContact CG2-CG1 3.66Å; A361-V415 WeakPolarHBondContact O-CA 3.4Å; Y397-V415 HydrophobicContact CD2-CG1 4.18Å; Y397-V415 PolarHBondContact N-O 2.61Å; D398-V415 PolarHBondContact O-N 2.93Å; W400-V415 HydrophobicContact CH2-CG2 3.46Å; W400-V415 VanDerWaalsContact CH2-CG2 3.46Å; W400-V415 HydrophobicContact CZ3-CG2 3.67Å; V413-V415 HydrophobicContact CG1-CG2 4.29Å
416	T	93.9	Very high	86	Confident	28 Å²	28	53.5 Å²	53.5	17%	0.172	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	167.9	-177.4	71.1	0	0	0	0	113	V360 A361 R395 F396 L418	V360-T416 WeakPolarHBondContact CB-O 3.43Å; A361-T416 PolarHBondContact N-O 2.96Å; A361-T416 PolarHBondContact O-N 2.84Å; R395-T416 CarbonylContact O-C 3.58Å; R395-T416 VanDerWaalsContact O-CA 3.28Å; R395-T416 WeakPolarHBondContact O-CA 3.47Å; R395-T416 WeakPolarHBondContact O-CB 3.47Å; F396-T416 HydrophobicContact CD2-CG2 3.82Å; F396-T416 HydrophobicContact CE2-CG2 4.31Å; T416-L418 PolarHBondContact O-N 2.89Å
417	E	94.5	Very high	87.4	Confident	45 Å²	45	50.8 Å²	50.8	21%	0.21	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	131.8	170.1	177.5	-177.9	-173.8	0	0	111.9	V394 R395 Y397 M419 K480	V394-E417 HydrophobicContact CG1-CB 3.9Å; R395-E417 HydrophobicContact CB-CB 4.15Å; R395-E417 PolarHBondContact N-OE2 2.88Å; R395-E417 PolarHBondContact O-N 2.94Å; Y397-E417 HydrophobicContact CE2-CB 4.3Å; E417-M419 HydrophobicContact CG-SD 4.07Å; E417-M419 PolarHBondContact O-N 3.22Å; E417-K480 WeakPolarHBondContact OE1-CE 3.41Å; E417-K480 IonicContact OE1-NZ 3.81Å; E417-K480 PolarHBondContact OE1-NZ 3.09Å; E417-K480 IonicContact OE2-NZ 3.67Å; E417-K480 PolarHBondContact OE2-NZ 3.19Å
418	L	94.4	Very high	88.6	Confident	38 Å²	38	48.9 Å²	48.9	20%	0.199	24%	0.243	C	C	.	.			trans	-83.6	105.6	-177.1	-180	56.7	0	0	0	111.7	L340 R350 A359 A361 T416 T420	L340-L418 HydrophobicContact CD1-CD1 3.43Å; L340-L418 VanDerWaalsContact CD1-CD1 3.43Å; R350-L418 HydrophobicContact CG-CD2 4.44Å; A359-L418 HydrophobicContact CB-CD2 3.68Å; A359-L418 WeakPolarHBondContact O-CB 3.32Å; A361-L418 HydrophobicContact CB-CD1 4.21Å; T416-L418 PolarHBondContact O-N 2.89Å; L418-T420 HydrophobicContact CD2-CG2 4.16Å; L418-T420 HydrophobicContact CG-CG2 3.89Å; L418-T420 PolarHBondContact O-N 2.7Å; L418-T420 VanDerWaalsContact O-N 3.12Å
419	M	94	Very high	89.7	Confident	25 Å²	25	48.6 Å²	48.6	12%	0.123	24%	0.242	C	C	.	.			trans	-85	82	-176.5	-64.4	-54.3	-59.1	0	0	113	V394 E417 S421 F471 T473 K480	V394-M419 HydrophobicContact CG1-CG 4.22Å; V394-M419 HydrophobicContact CG2-CG 3.87Å; V394-M419 HydrophobicContact CG2-SD 4.19Å; E417-M419 HydrophobicContact CG-SD 4.07Å; E417-M419 PolarHBondContact O-N 3.22Å; M419-S421 PolarHBondContact O-N 2.92Å; M419-F471 HydrophobicContact CB-CB 3.78Å; M419-F471 HydrophobicContact CB-CD1 3.39Å; M419-F471 HydrophobicContact CB-CE1 4.13Å; M419-F471 HydrophobicContact CB-CG 3.71Å; M419-F471 HydrophobicContact CE-CB 3.55Å; M419-F471 HydrophobicContact CG-CB 3.67Å; M419-F471 HydrophobicContact CG-CD1 3.89Å; M419-F471 HydrophobicContact CG-CD2 4.3Å; M419-F471 HydrophobicContact CG-CG 3.69Å; M419-F471 HydrophobicContact SD-CB 4.35Å; M419-T473 HydrophobicContact CE-CG2 3.96Å; M419-K480 HydrophobicContact CE-CB 4.16Å; M419-K480 HydrophobicContact CE-CD 3.83Å; M419-K480 HydrophobicContact SD-CD 3.81Å
420	T	90.9	Very high	90.5	Very high	119 Å²	119	52.4 Å²	52.4	73%	0.73	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.9	-171.2	57.1	0	0	0	0	116.7	L418	L418-T420 HydrophobicContact CD2-CG2 4.16Å; L418-T420 HydrophobicContact CG-CG2 3.89Å; L418-T420 PolarHBondContact O-N 2.7Å; L418-T420 VanDerWaalsContact O-N 3.12Å
421	S	91.2	Very high	90.8	Very high	58 Å²	58	51.2 Å²	51.2	41%	0.406	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	1.9	-179.7	-74	0	0	0	0	114.6	M419 I472 T473	M419-S421 PolarHBondContact O-N 2.92Å; S421-I472 WeakPolarHBondContact CB-O 2.94Å; S421-I472 WeakPolarHBondContact O-CD1 3.3Å; S421-I472 WeakPolarHBondContact O-CG1 3.46Å; S421-T473 PolarHBondContact OG-O 2.69Å
422	G	91.6	Very high	90.5	Very high	22 Å²	22	58.4 Å²	58.4	23%	0.227	28%	0.283	C	S	.	.			trans	85	-167	175.3	0	0	0	0	0	114.6	F471 I472	G422-F471 WeakPolarHBondContact O-CA 3.28Å; G422-I472 WeakPolarHBondContact O-CG1 3.18Å; G422-I472 PolarHBondContact O-N 3.08Å
423	T	93.8	Very high	90.3	Very high	16 Å²	16	69.4 Å²	69.4	10%	0.098	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-103.3	161.4	-171.5	69.3	0	0	0	0	111.7	K425 M426 Y427 D468 I470 F471	T423-K425 VanDerWaalsContact C-N 3.27Å; T423-K425 PolarHBondContact O-N 2.71Å; T423-M426 CarbonylContact O-C 3.57Å; T423-M426 WeakPolarHBondContact O-CA 3.42Å; T423-M426 WeakPolarHBondContact O-CB 3.39Å; T423-M426 PolarHBondContact O-N 3.37Å; T423-M426 VanDerWaalsContact O-N 3.09Å; T423-M426 PolarHBondContact OG1-N 2.91Å; T423-Y427 PolarHBondContact O-N 3.37Å; T423-D468 WeakPolarHBondContact CB-O 3.28Å; T423-D468 WeakPolarHBondContact CG2-O 3.43Å; T423-D468 PolarHBondContact OG1-OD1 3.46Å; T423-I470 CarbonylContact C-O 3.16Å; T423-I470 WeakPolarHBondContact CA-O 3.45Å; T423-F471 HydrophobicContact CG2-CD1 3.91Å; T423-F471 HydrophobicContact CG2-CE1 3.82Å; T423-F471 HydrophobicContact CG2-CZ 4.48Å
424	L	93.9	Very high	90.1	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.6	-36.6	175.9	174.6	60.1	0	0	0	111.7	Y427 L428 I434 W442 C467 I470 M530	L424-Y427 WeakPolarHBondContact O-CB 2.83Å; L424-Y427 PolarHBondContact O-N 2.95Å; L424-L428 HydrophobicContact CG-CD1 4.47Å; L424-L428 WeakPolarHBondContact O-CG 3.34Å; L424-L428 PolarHBondContact O-N 2.87Å; L424-I434 HydrophobicContact CD1-CD1 4.13Å; L424-W442 HydrophobicContact CD1-CE3 3.72Å; L424-W442 HydrophobicContact CD1-CZ3 3.62Å; L424-C467 HydrophobicContact CB-CB 4.12Å; L424-C467 WeakPolarHBondContact CB-O 3.49Å; L424-C467 HydrophobicContact CD2-CB 4.1Å; L424-C467 VanDerWaalsContact CD2-SG 3.6Å; L424-C467 HydrophobicContact CG-CB 3.99Å; L424-C467 PolarHBondContact N-O 3.02Å; L424-C467 VanDerWaalsContact N-O 3.14Å; L424-I470 HydrophobicContact CB-CB 4.24Å; L424-I470 HydrophobicContact CB-CG2 4.2Å; L424-I470 HydrophobicContact CD2-CB 4.34Å; L424-I470 HydrophobicContact CD2-CD1 4.27Å; L424-I470 HydrophobicContact CD2-CG2 4.1Å; L424-I470 PolarHBondContact N-O 3.14Å; L424-M530 HydrophobicContact CD1-CG 3.93Å; L424-M530 HydrophobicContact CD1-SD 3.83Å; L424-M530 HydrophobicContact CD2-CE 4.15Å; L424-M530 HydrophobicContact CD2-CG 3.81Å; L424-M530 HydrophobicContact CD2-SD 3.54Å; L424-M530 VanDerWaalsContact CD2-SD 3.54Å; L424-M530 HydrophobicContact CG-CG 4.11Å; L424-M530 HydrophobicContact CG-SD 4.21Å
425	K	92.7	Very high	89.8	Confident	83 Å²	83	74.9 Å²	74.9	36%	0.361	35%	0.354	S	S	.	.	H	α-helix	trans	-61.6	-43.1	170.7	-175	-172.7	-174.5	174.7	0	112	T423 Y427 L428 K429 C467 D468	T423-K425 VanDerWaalsContact C-N 3.27Å; T423-K425 PolarHBondContact O-N 2.71Å; K425-Y427 VanDerWaalsContact C-N 3.32Å; K425-Y427 PolarHBondContact O-N 2.87Å; K425-L428 PolarHBondContact O-N 3.35Å; K425-K429 WeakPolarHBondContact O-CB 3.5Å; K425-K429 PolarHBondContact O-N 3.08Å; K425-C467 HydrophobicContact CB-CB 3.99Å; K425-C467 WeakPolarHBondContact CB-O 3.24Å; K425-C467 PolarHBondContact N-O 2.88Å; K425-D468 HydrophobicContact CD-CB 3.89Å; K425-D468 WeakPolarHBondContact CD-OD1 3.32Å; K425-D468 WeakPolarHBondContact CD-OD2 3.08Å; K425-D468 WeakPolarHBondContact CE-OD2 3.03Å; K425-D468 IonicContact NZ-OD2 2.66Å; K425-D468 PolarHBondContact NZ-OD2 2.89Å
426	M	92.4	Very high	89.5	Confident	119 Å²	119	76.8 Å²	76.8	59%	0.586	36%	0.363	S	S	*	.	H	α-helix	trans	-65.1	-36.2	174	-166.1	68.2	72.5	0	0	111.8	T423 R430	T423-M426 CarbonylContact O-C 3.57Å; T423-M426 WeakPolarHBondContact O-CA 3.42Å; T423-M426 WeakPolarHBondContact O-CB 3.39Å; T423-M426 PolarHBondContact O-N 3.37Å; T423-M426 VanDerWaalsContact O-N 3.09Å; T423-M426 PolarHBondContact OG1-N 2.91Å; M426-R430 WeakPolarHBondContact O-CB 3.49Å; M426-R430 PolarHBondContact O-N 3.45Å
427	Y	92.7	Very high	89.1	Confident	29 Å²	29	80.1 Å²	80.1	11%	0.114	38%	0.375	C	S	.	.	H	α-helix	trans	-64.4	-49.5	173.6	-173.9	-84.4	0	0	0	111.4	T423 L424 K425 K429 R430 F431 I434 W442 I472 T475	T423-Y427 PolarHBondContact O-N 3.37Å; L424-Y427 WeakPolarHBondContact O-CB 2.83Å; L424-Y427 PolarHBondContact O-N 2.95Å; K425-Y427 VanDerWaalsContact C-N 3.32Å; K425-Y427 PolarHBondContact O-N 2.87Å; Y427-K429 PolarHBondContact O-N 3.11Å; Y427-R430 CarbonylContact O-C 3.56Å; Y427-R430 PolarHBondContact O-N 3.36Å; Y427-F431 HydrophobicContact CD1-CB 4.2Å; Y427-F431 HydrophobicContact CD1-CD2 4.12Å; Y427-F431 AromaticContact CD2-CD2 3.55Å; Y427-F431 HydrophobicContact CD2-CD2 3.55Å; Y427-F431 AromaticContact CD2-CE2 3.9Å; Y427-F431 HydrophobicContact CD2-CE2 3.9Å; Y427-F431 HydrophobicContact CE1-CB 3.84Å; Y427-F431 HydrophobicContact CE1-CD2 4.03Å; Y427-F431 HydrophobicContact CE1-CG 4.28Å; Y427-F431 AromaticContact CE2-CD2 3.48Å; Y427-F431 HydrophobicContact CE2-CD2 3.48Å; Y427-F431 VanDerWaalsContact CE2-CD2 3.48Å; Y427-F431 AromaticContact CE2-CE2 3.78Å; Y427-F431 HydrophobicContact CE2-CE2 3.78Å; Y427-F431 HydrophobicContact CE2-CG 4.3Å; Y427-F431 AromaticContact CG-CD2 3.9Å; Y427-F431 HydrophobicContact CG-CD2 3.9Å; Y427-F431 AromaticContact CZ-CD2 3.74Å; Y427-F431 PolarHBondContact O-N 3.42Å; Y427-I434 HydrophobicContact CD1-CD1 4.44Å; Y427-I434 HydrophobicContact CD1-CG1 4.43Å; Y427-I434 HydrophobicContact CE1-CD1 4.47Å; Y427-I434 HydrophobicContact CE1-CG1 4.12Å; Y427-W442 AromaticContact CD1-CH2 3.92Å; Y427-W442 HydrophobicContact CD1-CH2 3.92Å; Y427-W442 AromaticContact CD1-CZ3 3.89Å; Y427-W442 HydrophobicContact CD1-CZ3 3.89Å; Y427-W442 AromaticContact CD2-CH2 3.85Å; Y427-W442 HydrophobicContact CD2-CH2 3.85Å; Y427-W442 AromaticContact CE1-CH2 3.83Å; Y427-W442 HydrophobicContact CE1-CH2 3.83Å; Y427-W442 AromaticContact CE1-CZ3 3.96Å; Y427-W442 HydrophobicContact CE1-CZ3 3.96Å; Y427-W442 AromaticContact CE2-CH2 3.73Å; Y427-W442 HydrophobicContact CE2-CH2 3.73Å; Y427-W442 AromaticContact CG-CH2 3.93Å; Y427-W442 HydrophobicContact CG-CH2 3.93Å; Y427-W442 HydrophobicContact CG-CZ3 4.21Å; Y427-W442 AromaticContact CZ-CH2 3.71Å; Y427-I472 HydrophobicContact CD2-CD1 3.8Å; Y427-I472 HydrophobicContact CG-CD1 4.46Å; Y427-T475 HydrophobicContact CE2-CG2 4.33Å
428	L	91.6	Very high	88.8	Confident	13 Å²	13	79.7 Å²	79.7	7%	0.068	38%	0.376	C	S	.	.	H	α-helix	trans	-59.5	-44.7	178.3	-76.3	165.9	0	0	0	112.4	L424 K425 R430 F431 I434 E529 M530	L424-L428 HydrophobicContact CG-CD1 4.47Å; L424-L428 WeakPolarHBondContact O-CG 3.34Å; L424-L428 PolarHBondContact O-N 2.87Å; K425-L428 PolarHBondContact O-N 3.35Å; L428-R430 PolarHBondContact O-N 2.96Å; L428-F431 CarbonylContact O-C 3.45Å; L428-F431 PolarHBondContact O-N 2.82Å; L428-I434 HydrophobicContact CD2-CD1 3.72Å; L428-I434 HydrophobicContact CD2-CG1 3.83Å; L428-I434 HydrophobicContact CG-CD1 4.32Å; L428-E529 HydrophobicContact CD1-CG 4.02Å; L428-M530 HydrophobicContact CD1-CG 4.21Å
429	K	90.1	Very high	88.6	Confident	171 Å²	171	78.2 Å²	78.2	74%	0.743	37%	0.368	S	S	*	.	H	α-helix	trans	-58.3	-30	174.9	-172.9	173.4	-178.5	176.2	0	113	K425 Y427	K425-K429 WeakPolarHBondContact O-CB 3.5Å; K425-K429 PolarHBondContact O-N 3.08Å; Y427-K429 PolarHBondContact O-N 3.11Å
430	R	87.6	Confident	88.4	Confident	194 Å²	194	77.8 Å²	77.8	73%	0.732	37%	0.366	S	S	*	.	H	α-helix	trans	-91.9	-34.7	179.6	-174.8	174	-178.3	171	3.8	113.6	M426 Y427 L428	M426-R430 WeakPolarHBondContact O-CB 3.49Å; M426-R430 PolarHBondContact O-N 3.45Å; Y427-R430 CarbonylContact O-C 3.56Å; Y427-R430 PolarHBondContact O-N 3.36Å; L428-R430 PolarHBondContact O-N 2.96Å
431	F	81.3	Confident	88.4	Confident	77 Å²	77	74.5 Å²	74.5	34%	0.338	35%	0.347	S	S	.	.	S	Bend	trans	-128.3	85.6	-173.3	-58	-73.3	0	0	0	109	Y427 L428 R433 T475	Y427-F431 HydrophobicContact CD1-CB 4.2Å; Y427-F431 HydrophobicContact CD1-CD2 4.12Å; Y427-F431 AromaticContact CD2-CD2 3.55Å; Y427-F431 HydrophobicContact CD2-CD2 3.55Å; Y427-F431 AromaticContact CD2-CE2 3.9Å; Y427-F431 HydrophobicContact CD2-CE2 3.9Å; Y427-F431 HydrophobicContact CE1-CB 3.84Å; Y427-F431 HydrophobicContact CE1-CD2 4.03Å; Y427-F431 HydrophobicContact CE1-CG 4.28Å; Y427-F431 AromaticContact CE2-CD2 3.48Å; Y427-F431 HydrophobicContact CE2-CD2 3.48Å; Y427-F431 VanDerWaalsContact CE2-CD2 3.48Å; Y427-F431 AromaticContact CE2-CE2 3.78Å; Y427-F431 HydrophobicContact CE2-CE2 3.78Å; Y427-F431 HydrophobicContact CE2-CG 4.3Å; Y427-F431 AromaticContact CG-CD2 3.9Å; Y427-F431 HydrophobicContact CG-CD2 3.9Å; Y427-F431 AromaticContact CZ-CD2 3.74Å; Y427-F431 PolarHBondContact O-N 3.42Å; L428-F431 CarbonylContact O-C 3.45Å; L428-F431 PolarHBondContact O-N 2.82Å; F431-R433 PolarHBondContact O-N 3Å; F431-T475 HydrophobicContact CE2-CG2 4.2Å; F431-T475 HydrophobicContact CZ-CG2 4.36Å
432	K	75.5	Confident	88.5	Confident	181 Å²	181	71.9 Å²	71.9	79%	0.787	33%	0.328	S	S	*	.	S	Bend	trans	-56.4	-3.6	-171.2	-61.7	-169.4	174.8	-166.9	0	117
433	R	79.8	Confident	88.7	Confident	230 Å²	230	70.8 Å²	70.8	87%	0.868	32%	0.318	S	S	*	.	S	Bend	trans	-147.7	127	176.1	-67.1	-171.4	175.4	-177	-3	109.5	F431	F431-R433 PolarHBondContact O-N 3Å
434	I	85.7	Confident	88.7	Confident	25 Å²	25	72.1 Å²	72.1	13%	0.128	32%	0.321	C	S	.	.			trans	-86.8	142.3	172.6	-52.8	-169.8	0	0	0	109.3	L424 Y427 L428 V438 L439 W442 M530	L424-I434 HydrophobicContact CD1-CD1 4.13Å; Y427-I434 HydrophobicContact CD1-CD1 4.44Å; Y427-I434 HydrophobicContact CD1-CG1 4.43Å; Y427-I434 HydrophobicContact CE1-CD1 4.47Å; Y427-I434 HydrophobicContact CE1-CG1 4.12Å; L428-I434 HydrophobicContact CD2-CD1 3.72Å; L428-I434 HydrophobicContact CD2-CG1 3.83Å; L428-I434 HydrophobicContact CG-CD1 4.32Å; I434-V438 HydrophobicContact CG2-CB 4Å; I434-V438 HydrophobicContact CG2-CG1 4.01Å; I434-L439 HydrophobicContact CG2-CB 4.09Å; I434-W442 HydrophobicContact CD1-CE3 4.3Å; I434-W442 HydrophobicContact CD1-CZ3 4.04Å; I434-M530 HydrophobicContact CD1-CB 4.02Å; I434-M530 HydrophobicContact CD1-CG 3.81Å; I434-M530 HydrophobicContact CD1-SD 4.15Å
435	N	85.5	Confident	88.7	Confident	100 Å²	100	73.5 Å²	73.5	54%	0.535	33%	0.327	S	S	.	.			trans	-70.5	132.6	170.5	178.8	-38.4	0	0	0	109.7	K437 V438 L439	N435-K437 PolarHBondContact O-N 2.93Å; N435-K437 VanDerWaalsContact O-N 3.1Å; N435-K437 PolarHBondContact OD1-N 2.72Å; N435-V438 HydrophobicContact CB-CB 4.42Å; N435-V438 HydrophobicContact CB-CG2 4.12Å; N435-V438 WeakPolarHBondContact O-CA 3.38Å; N435-V438 WeakPolarHBondContact O-CB 3.41Å; N435-V438 PolarHBondContact O-N 2.75Å; N435-L439 PolarHBondContact O-N 2.95Å
436	I	86.4	Confident	89	Confident	39 Å²	39	69.6 Å²	69.6	20%	0.2	31%	0.31	C	S	.	.	H	α-helix	trans	-49.2	-37.8	-179.5	-172.8	57.9	0	0	0	114.3	L439 K440 Y566 I569 F595	I436-L439 HydrophobicContact CD1-CD2 4.1Å; I436-L439 PolarHBondContact O-N 3.25Å; I436-K440 HydrophobicContact CD1-CG 4.41Å; I436-K440 WeakPolarHBondContact O-CB 3.18Å; I436-K440 WeakPolarHBondContact O-CG 3.32Å; I436-K440 PolarHBondContact O-N 2.8Å; I436-Y566 HydrophobicContact CD1-CE1 4.33Å; I436-Y566 HydrophobicContact CG1-CE1 4.14Å; I436-I569 HydrophobicContact CD1-CD1 3.81Å; I436-F595 HydrophobicContact CD1-CE2 3.86Å; I436-F595 HydrophobicContact CD1-CZ 3.72Å
437	K	85	Confident	89.2	Confident	98 Å²	98	64 Å²	64	43%	0.426	28%	0.283	S	S	.	.	H	α-helix	trans	-69.3	-34.5	175.8	-75.9	-169.4	174.6	-91.3	0	112.7	N435 S441 E599 D600	N435-K437 PolarHBondContact O-N 2.93Å; N435-K437 VanDerWaalsContact O-N 3.1Å; N435-K437 PolarHBondContact OD1-N 2.72Å; K437-S441 WeakPolarHBondContact O-CB 3.22Å; K437-S441 PolarHBondContact O-N 3.03Å; K437-S441 VanDerWaalsContact O-N 3.1Å; K437-E599 VanDerWaalsContact CE-OE2 3.3Å; K437-E599 WeakPolarHBondContact CE-OE2 3.42Å; K437-E599 IonicContact NZ-OE2 3.65Å; K437-E599 PolarHBondContact NZ-OE2 3.1Å; K437-D600 IonicContact NZ-OD1 3.88Å; K437-D600 PolarHBondContact NZ-OD1 3.48Å; K437-D600 IonicContact NZ-OD2 2.87Å
438	V	88.6	Confident	89.4	Confident	36 Å²	36	67.7 Å²	67.7	22%	0.218	30%	0.299	C	S	.	.	H	α-helix	trans	-70.8	-44.3	174.2	178.7	0	0	0	0	110.1	I434 N435 S441 W442	I434-V438 HydrophobicContact CG2-CB 4Å; I434-V438 HydrophobicContact CG2-CG1 4.01Å; N435-V438 HydrophobicContact CB-CB 4.42Å; N435-V438 HydrophobicContact CB-CG2 4.12Å; N435-V438 WeakPolarHBondContact O-CA 3.38Å; N435-V438 WeakPolarHBondContact O-CB 3.41Å; N435-V438 PolarHBondContact O-N 2.75Å; V438-S441 WeakPolarHBondContact O-CB 3.42Å; V438-S441 PolarHBondContact O-N 3.03Å; V438-S441 VanDerWaalsContact O-N 3.09Å; V438-W442 HydrophobicContact CG1-CD2 3.68Å; V438-W442 VanDerWaalsContact CG1-CE2 3.5Å; V438-W442 HydrophobicContact CG1-CE3 3.98Å; V438-W442 HydrophobicContact CG1-CG 4.29Å; V438-W442 HydrophobicContact CG1-CH2 3.98Å; V438-W442 HydrophobicContact CG1-CZ2 3.67Å; V438-W442 HydrophobicContact CG1-CZ3 4.12Å; V438-W442 PolarHBondContact O-N 3.31Å
439	L	90.8	Very high	89.6	Confident	8 Å²	8	67.1 Å²	67.1	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-55.1	-54.9	174.1	-176.8	71.5	0	0	0	111.2	I434 N435 I436 S441 W442 C443 L527 M530 V531 I569	I434-L439 HydrophobicContact CG2-CB 4.09Å; N435-L439 PolarHBondContact O-N 2.95Å; I436-L439 HydrophobicContact CD1-CD2 4.1Å; I436-L439 PolarHBondContact O-N 3.25Å; L439-S441 PolarHBondContact O-N 3.21Å; L439-W442 PolarHBondContact O-N 2.83Å; L439-C443 WeakPolarHBondContact O-CB 3.36Å; L439-C443 PolarHBondContact O-N 3.42Å; L439-C443 PolarHBondContact O-SG 2.9Å; L439-L527 HydrophobicContact CD1-CD1 4.12Å; L439-L527 HydrophobicContact CD2-CD1 4.3Å; L439-L527 HydrophobicContact CG-CD1 4.36Å; L439-M530 HydrophobicContact CD1-CB 3.55Å; L439-M530 HydrophobicContact CD1-CE 4.13Å; L439-M530 HydrophobicContact CD1-CG 4.22Å; L439-M530 HydrophobicContact CD1-SD 3.7Å; L439-V531 HydrophobicContact CD1-CG2 4.41Å; L439-V531 HydrophobicContact CD2-CG2 3.63Å; L439-I569 HydrophobicContact CD2-CD1 4.01Å
440	K	89.6	Confident	89.9	Confident	16 Å²	16	59 Å²	59	7%	0.07	26%	0.261	C	S	.	.	H	α-helix	trans	-57.4	-28.3	175.5	-79.7	-173.7	173.1	-171.4	0	113.6	I436 R444 F595 E599	I436-K440 HydrophobicContact CD1-CG 4.41Å; I436-K440 WeakPolarHBondContact O-CB 3.18Å; I436-K440 WeakPolarHBondContact O-CG 3.32Å; I436-K440 PolarHBondContact O-N 2.8Å; K440-R444 WeakPolarHBondContact O-CB 3.37Å; K440-R444 PolarHBondContact O-NE 2.62Å; K440-R444 PolarHBondContact O-NH2 2.77Å; K440-F595 HydrophobicContact CD-CD2 4.41Å; K440-F595 HydrophobicContact CD-CE2 4.19Å; K440-F595 HydrophobicContact CD-CZ 4.28Å; K440-F595 WeakPolarHBondContact CD-O 3.47Å; K440-F595 WeakPolarHBondContact CE-O 3.39Å; K440-F595 HydrophobicContact CG-CD1 4.21Å; K440-F595 HydrophobicContact CG-CD2 4.44Å; K440-F595 HydrophobicContact CG-CE1 3.7Å; K440-F595 HydrophobicContact CG-CE2 3.98Å; K440-F595 HydrophobicContact CG-CZ 3.56Å; K440-E599 IonicContact NZ-OE1 3.51Å; K440-E599 PolarHBondContact NZ-OE1 2.92Å
441	S	90	Very high	90.3	Very high	50 Å²	50	51.1 Å²	51.1	35%	0.35	24%	0.236	S	C	.	.	H	α-helix	trans	-78.5	-48.8	176.3	-173.9	0	0	0	0	111.6	K437 V438 L439 Q445	K437-S441 WeakPolarHBondContact O-CB 3.22Å; K437-S441 PolarHBondContact O-N 3.03Å; K437-S441 VanDerWaalsContact O-N 3.1Å; V438-S441 WeakPolarHBondContact O-CB 3.42Å; V438-S441 PolarHBondContact O-N 3.03Å; V438-S441 VanDerWaalsContact O-N 3.09Å; L439-S441 PolarHBondContact O-N 3.21Å; S441-Q445 VanDerWaalsContact O-CG 3.27Å; S441-Q445 WeakPolarHBondContact O-CG 3.4Å; S441-Q445 PolarHBondContact O-N 3.43Å; S441-Q445 VanDerWaalsContact O-N 3.15Å; S441-Q445 PolarHBondContact O-NE2 2.81Å; S441-Q445 PolarHBondContact OG-NE2 2.88Å
442	W	94.2	Very high	90.9	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-68.5	-42.6	-178	-70.2	-9.3	0	0	0	113	L424 Y427 I434 V438 L439 R444 Q445 I446 I472 G477 V479	L424-W442 HydrophobicContact CD1-CE3 3.72Å; L424-W442 HydrophobicContact CD1-CZ3 3.62Å; Y427-W442 AromaticContact CD1-CH2 3.92Å; Y427-W442 HydrophobicContact CD1-CH2 3.92Å; Y427-W442 AromaticContact CD1-CZ3 3.89Å; Y427-W442 HydrophobicContact CD1-CZ3 3.89Å; Y427-W442 AromaticContact CD2-CH2 3.85Å; Y427-W442 HydrophobicContact CD2-CH2 3.85Å; Y427-W442 AromaticContact CE1-CH2 3.83Å; Y427-W442 HydrophobicContact CE1-CH2 3.83Å; Y427-W442 AromaticContact CE1-CZ3 3.96Å; Y427-W442 HydrophobicContact CE1-CZ3 3.96Å; Y427-W442 AromaticContact CE2-CH2 3.73Å; Y427-W442 HydrophobicContact CE2-CH2 3.73Å; Y427-W442 AromaticContact CG-CH2 3.93Å; Y427-W442 HydrophobicContact CG-CH2 3.93Å; Y427-W442 HydrophobicContact CG-CZ3 4.21Å; Y427-W442 AromaticContact CZ-CH2 3.71Å; I434-W442 HydrophobicContact CD1-CE3 4.3Å; I434-W442 HydrophobicContact CD1-CZ3 4.04Å; V438-W442 HydrophobicContact CG1-CD2 3.68Å; V438-W442 VanDerWaalsContact CG1-CE2 3.5Å; V438-W442 HydrophobicContact CG1-CE3 3.98Å; V438-W442 HydrophobicContact CG1-CG 4.29Å; V438-W442 HydrophobicContact CG1-CH2 3.98Å; V438-W442 HydrophobicContact CG1-CZ2 3.67Å; V438-W442 HydrophobicContact CG1-CZ3 4.12Å; V438-W442 PolarHBondContact O-N 3.31Å; L439-W442 PolarHBondContact O-N 2.83Å; W442-R444 VanDerWaalsContact C-N 3.34Å; W442-R444 PolarHBondContact O-N 2.8Å; W442-Q445 WeakPolarHBondContact O-CB 3.17Å; W442-Q445 PolarHBondContact O-N 3.29Å; W442-Q445 VanDerWaalsContact O-N 3.1Å; W442-I446 WeakPolarHBondContact O-CG1 3.43Å; W442-I446 PolarHBondContact O-N 2.96Å; W442-I472 HydrophobicContact CH2-CG2 3.91Å; W442-I472 HydrophobicContact CZ2-CG2 3.85Å; W442-I472 HydrophobicContact CZ3-CG2 4.4Å; W442-G477 PolarHBondContact NE1-O 2.71Å; W442-V479 HydrophobicContact CB-CG1 4.06Å; W442-V479 HydrophobicContact CB-CG2 3.97Å; W442-V479 HydrophobicContact CD2-CG1 3.85Å; W442-V479 HydrophobicContact CE3-CG1 4.46Å; W442-V479 HydrophobicContact CG-CG1 3.66Å; W442-V479 HydrophobicContact CG-CG2 4.2Å; W442-V479 WeakPolarHBondContact O-CG2 3.46Å
443	C	95.4	Very high	91.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-45.7	178.6	-63.7	0	0	0	0	111.9	L439 Q445 I446 L447 F523 M530 F596	L439-C443 WeakPolarHBondContact O-CB 3.36Å; L439-C443 PolarHBondContact O-N 3.42Å; L439-C443 PolarHBondContact O-SG 2.9Å; C443-Q445 VanDerWaalsContact C-N 3.28Å; C443-Q445 PolarHBondContact O-N 3.44Å; C443-I446 WeakPolarHBondContact O-CB 3.48Å; C443-I446 PolarHBondContact O-N 3.44Å; C443-L447 WeakPolarHBondContact O-CG 3.41Å; C443-L447 PolarHBondContact O-N 3.04Å; C443-F523 HydrophobicContact CB-CE2 4.04Å; C443-F523 HydrophobicContact CB-CZ 4.05Å; C443-M530 WeakPolarHBondContact SG-CE 3.06Å; C443-F596 HydrophobicContact CB-CD1 4.07Å; C443-F596 HydrophobicContact CB-CE1 3.31Å; C443-F596 HydrophobicContact CB-CZ 4Å
444	R	93.6	Very high	92.3	Very high	44 Å²	44	30.5 Å²	30.5	17%	0.166	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-32.3	175.6	-168.3	-167.6	-30.8	-131.2	-8.4	113.1	K440 W442 K448 F596 T597 P598	K440-R444 WeakPolarHBondContact O-CB 3.37Å; K440-R444 PolarHBondContact O-NE 2.62Å; K440-R444 PolarHBondContact O-NH2 2.77Å; W442-R444 VanDerWaalsContact C-N 3.34Å; W442-R444 PolarHBondContact O-N 2.8Å; R444-K448 WeakPolarHBondContact O-CB 3.36Å; R444-K448 WeakPolarHBondContact O-CG 3.5Å; R444-K448 PolarHBondContact O-N 3.2Å; R444-F596 HydrophobicContact CB-CD1 4.44Å; R444-F596 WeakPolarHBondContact CD-O 3.48Å; R444-F596 HydrophobicContact CG-CB 4.46Å; R444-F596 PolarHBondContact NE-O 3.01Å; R444-F596 PolarHBondContact NH1-O 3.23Å; R444-T597 PolarHBondContact NH1-O 3.1Å; R444-T597 PolarHBondContact NH2-O 2.86Å; R444-P598 VanDerWaalsContact NH1-CA 3.33Å
445	Q	95.1	Very high	92.6	Very high	29 Å²	29	32.2 Å²	32.2	14%	0.136	17%	0.165	C	C	.	.	H	α-helix	trans	-72.9	-38.9	173.8	-77.6	175.8	64	0	0	112.2	N392 S441 W442 C443 K448 G449 V479	N392-Q445 HydrophobicContact CB-CB 4.48Å; N392-Q445 VanDerWaalsContact CB-O 3.24Å; N392-Q445 WeakPolarHBondContact CB-O 3.45Å; N392-Q445 WeakPolarHBondContact ND2-CB 3.4Å; N392-Q445 PolarHBondContact ND2-OE1 3.41Å; S441-Q445 VanDerWaalsContact O-CG 3.27Å; S441-Q445 WeakPolarHBondContact O-CG 3.4Å; S441-Q445 PolarHBondContact O-N 3.43Å; S441-Q445 VanDerWaalsContact O-N 3.15Å; S441-Q445 PolarHBondContact O-NE2 2.81Å; S441-Q445 PolarHBondContact OG-NE2 2.88Å; W442-Q445 WeakPolarHBondContact O-CB 3.17Å; W442-Q445 PolarHBondContact O-N 3.29Å; W442-Q445 VanDerWaalsContact O-N 3.1Å; C443-Q445 VanDerWaalsContact C-N 3.28Å; C443-Q445 PolarHBondContact O-N 3.44Å; Q445-K448 PolarHBondContact O-N 2.96Å; Q445-G449 PolarHBondContact O-N 2.71Å; Q445-V479 HydrophobicContact CB-CG2 3.49Å; Q445-V479 VanDerWaalsContact CB-CG2 3.49Å; Q445-V479 HydrophobicContact CG-CG2 4.48Å
446	I	97.3	Very high	92.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-62.5	-48.8	171.4	-63.5	154.7	0	0	0	109.6	W442 C443 K448 G449 L450 I470 V479 I481 F523 M530	W442-I446 WeakPolarHBondContact O-CG1 3.43Å; W442-I446 PolarHBondContact O-N 2.96Å; C443-I446 WeakPolarHBondContact O-CB 3.48Å; C443-I446 PolarHBondContact O-N 3.44Å; I446-K448 VanDerWaalsContact C-N 3.32Å; I446-K448 PolarHBondContact O-N 2.87Å; I446-G449 CarbonylContact O-C 3.55Å; I446-G449 WeakPolarHBondContact O-CA 3.26Å; I446-G449 PolarHBondContact O-N 3.47Å; I446-L450 HydrophobicContact CG2-CD1 4.35Å; I446-L450 HydrophobicContact CG2-CG 4.45Å; I446-L450 PolarHBondContact O-N 3.41Å; I446-I470 HydrophobicContact CD1-CD1 3.9Å; I446-I470 HydrophobicContact CD1-CG2 4.18Å; I446-I470 HydrophobicContact CG1-CD1 4.24Å; I446-I470 HydrophobicContact CG1-CG2 4.18Å; I446-I470 HydrophobicContact CG2-CD1 4.5Å; I446-V479 HydrophobicContact CG1-CG2 3.99Å; I446-I481 HydrophobicContact CG2-CD1 4.03Å; I446-F523 HydrophobicContact CB-CD2 4.35Å; I446-F523 HydrophobicContact CB-CE2 4.37Å; I446-F523 HydrophobicContact CG2-CD2 3.81Å; I446-F523 HydrophobicContact CG2-CE2 4.33Å; I446-M530 HydrophobicContact CD1-CE 4.28Å
447	L	97.1	Very high	92.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.5	-37.8	176.4	-70.3	169.3	0	0	0	112.7	C443 S451 F523 V587 L590 L591 F596	C443-L447 WeakPolarHBondContact O-CG 3.41Å; C443-L447 PolarHBondContact O-N 3.04Å; L447-S451 VanDerWaalsContact O-CB 3.24Å; L447-S451 WeakPolarHBondContact O-CB 3.11Å; L447-S451 PolarHBondContact O-N 2.56Å; L447-F523 HydrophobicContact CD1-CE1 4.18Å; L447-F523 HydrophobicContact CD1-CE2 4.25Å; L447-F523 HydrophobicContact CD1-CZ 3.69Å; L447-F523 HydrophobicContact CD2-CD1 3.98Å; L447-F523 HydrophobicContact CD2-CD2 4.18Å; L447-F523 HydrophobicContact CD2-CE1 3.81Å; L447-F523 HydrophobicContact CD2-CE2 4.02Å; L447-F523 HydrophobicContact CD2-CG 4.16Å; L447-F523 HydrophobicContact CD2-CZ 3.83Å; L447-F523 HydrophobicContact CG-CD2 4.31Å; L447-F523 HydrophobicContact CG-CE1 4.15Å; L447-F523 HydrophobicContact CG-CE2 3.74Å; L447-F523 HydrophobicContact CG-CZ 3.65Å; L447-V587 HydrophobicContact CB-CG1 4.3Å; L447-V587 HydrophobicContact CD2-CG1 4.03Å; L447-V587 WeakPolarHBondContact O-CG1 3.4Å; L447-L590 HydrophobicContact CD1-CB 3.87Å; L447-L590 HydrophobicContact CD2-CB 3.84Å; L447-L590 HydrophobicContact CD2-CD1 3.81Å; L447-L590 HydrophobicContact CD2-CG 4.49Å; L447-L591 HydrophobicContact CB-CD2 3.58Å; L447-L591 HydrophobicContact CB-CG 3.92Å; L447-F596 HydrophobicContact CD1-CD2 3.94Å; L447-F596 HydrophobicContact CD1-CE2 3.95Å; L447-F596 HydrophobicContact CD1-CG 4.24Å; L447-F596 HydrophobicContact CD1-CZ 4.31Å
448	K	96.2	Very high	92.3	Very high	108 Å²	108	36.3 Å²	36.3	47%	0.47	19%	0.189	S	C	.	.	H	α-helix	trans	-64.8	-40.4	170.8	-78.4	-178.7	176.7	-168.7	0	112.4	H390 R444 Q445 I446 S451 F452 L591	H390-K448 PolarHBondContact CE1-O 2.83Å; R444-K448 WeakPolarHBondContact O-CB 3.36Å; R444-K448 WeakPolarHBondContact O-CG 3.5Å; R444-K448 PolarHBondContact O-N 3.2Å; Q445-K448 PolarHBondContact O-N 2.96Å; I446-K448 VanDerWaalsContact C-N 3.32Å; I446-K448 PolarHBondContact O-N 2.87Å; K448-S451 PolarHBondContact O-N 2.85Å; K448-F452 WeakPolarHBondContact O-CB 3.39Å; K448-F452 PolarHBondContact O-N 3.1Å; K448-L591 HydrophobicContact CG-CD2 3.97Å
449	G	96.4	Very high	92.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-51.6	173.1	0	0	0	0	0	112.2	Q445 I446 F452 L453	Q445-G449 PolarHBondContact O-N 2.71Å; I446-G449 CarbonylContact O-C 3.55Å; I446-G449 WeakPolarHBondContact O-CA 3.26Å; I446-G449 PolarHBondContact O-N 3.47Å; G449-F452 WeakPolarHBondContact O-CB 3.25Å; G449-F452 PolarHBondContact O-N 3.47Å; G449-L453 WeakPolarHBondContact O-CG 3.31Å; G449-L453 PolarHBondContact O-N 3.29Å; G449-L453 VanDerWaalsContact O-N 3.14Å
450	L	96.4	Very high	91.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-47.8	175.8	-65.7	-179.5	0	0	0	111.6	I446 F452 L453 H454 H462 L465 I481 D519 F523 V587	I446-L450 HydrophobicContact CG2-CD1 4.35Å; I446-L450 HydrophobicContact CG2-CG 4.45Å; I446-L450 PolarHBondContact O-N 3.41Å; L450-F452 PolarHBondContact O-N 2.75Å; L450-L453 PolarHBondContact O-N 2.9Å; L450-H454 WeakPolarHBondContact O-CB 3.3Å; L450-H454 PolarHBondContact O-N 3.25Å; L450-H454 PolarHBondContact O-ND1 2.74Å; L450-H462 HydrophobicContact CD2-CB 4.5Å; L450-L465 HydrophobicContact CD1-CD2 3.91Å; L450-L465 HydrophobicContact CD2-CD2 4.14Å; L450-L465 HydrophobicContact CG-CD2 4.49Å; L450-I481 HydrophobicContact CD2-CD1 4.04Å; L450-I481 HydrophobicContact CG-CD1 4.14Å; L450-D519 HydrophobicContact CD1-CB 4.18Å; L450-D519 HydrophobicContact CD2-CB 3.95Å; L450-F523 HydrophobicContact CD1-CB 4.24Å; L450-V587 HydrophobicContact CB-CG1 4.2Å; L450-V587 HydrophobicContact CB-CG2 4.21Å
451	S	95.7	Very high	91.6	Very high	29 Å²	29	38.3 Å²	38.3	20%	0.203	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-32.5	177.4	-173.6	0	0	0	0	112.8	L447 K448 T455	L447-S451 VanDerWaalsContact O-CB 3.24Å; L447-S451 WeakPolarHBondContact O-CB 3.11Å; L447-S451 PolarHBondContact O-N 2.56Å; K448-S451 PolarHBondContact O-N 2.85Å; S451-T455 WeakPolarHBondContact O-CB 3.39Å; S451-T455 WeakPolarHBondContact O-CG2 3.19Å; S451-T455 PolarHBondContact O-N 2.68Å; S451-T455 PolarHBondContact O-OG1 3.29Å
452	F	95.3	Very high	91.5	Very high	29 Å²	29	36 Å²	36	13%	0.127	19%	0.187	C	C	.	.	H	α-helix	trans	-68.2	-44.9	173	170	-95	0	0	0	111.6	L388 H390 I393 K448 G449 L450 T455 R456	L388-F452 HydrophobicContact CB-CE1 4.12Å; L388-F452 HydrophobicContact CD2-CE1 3.96Å; L388-F452 HydrophobicContact CD2-CZ 4.32Å; H390-F452 HydrophobicContact CB-CB 4.31Å; H390-F452 HydrophobicContact CB-CD1 3.58Å; H390-F452 HydrophobicContact CB-CD2 3.86Å; H390-F452 HydrophobicContact CB-CE1 3.75Å; H390-F452 HydrophobicContact CB-CE2 4.02Å; H390-F452 HydrophobicContact CB-CG 3.64Å; H390-F452 HydrophobicContact CB-CZ 3.97Å; H390-F452 AromaticContact CD2-CD2 3.86Å; H390-F452 AromaticContact CD2-CG 3.83Å; H390-F452 AromaticContact CG-CG 3.7Å; I393-F452 HydrophobicContact CG1-CD1 4.07Å; I393-F452 HydrophobicContact CG1-CE1 4.49Å; K448-F452 WeakPolarHBondContact O-CB 3.39Å; K448-F452 PolarHBondContact O-N 3.1Å; G449-F452 WeakPolarHBondContact O-CB 3.25Å; G449-F452 PolarHBondContact O-N 3.47Å; L450-F452 PolarHBondContact O-N 2.75Å; F452-T455 PolarHBondContact O-N 2.82Å; F452-T455 PolarHBondContact O-OG1 3.26Å; F452-R456 PolarHBondContact O-NE 2.83Å; F452-R456 PolarHBondContact O-NH2 2.73Å
453	L	92.6	Very high	90.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.8	-46.8	178.6	-62.4	172.9	0	0	0	112.1	L388 I393 G449 L450 T455 R456 V460 L484	L388-L453 HydrophobicContact CD1-CD2 3.79Å; I393-L453 HydrophobicContact CD1-CD1 3.81Å; I393-L453 HydrophobicContact CD1-CD2 4.11Å; I393-L453 HydrophobicContact CD1-CG 3.91Å; I393-L453 HydrophobicContact CG1-CD2 4.47Å; G449-L453 WeakPolarHBondContact O-CG 3.31Å; G449-L453 PolarHBondContact O-N 3.29Å; G449-L453 VanDerWaalsContact O-N 3.14Å; L450-L453 PolarHBondContact O-N 2.9Å; L453-T455 PolarHBondContact O-N 2.97Å; L453-R456 WeakPolarHBondContact O-CB 3.4Å; L453-R456 WeakPolarHBondContact O-CG 3.42Å; L453-R456 PolarHBondContact O-N 3.12Å; L453-R456 VanDerWaalsContact O-N 3.12Å; L453-V460 CarbonylContact C-O 3.53Å; L453-V460 HydrophobicContact CB-CB 4.12Å; L453-V460 HydrophobicContact CB-CG1 4.45Å; L453-V460 VanDerWaalsContact CB-O 3.31Å; L453-V460 WeakPolarHBondContact CB-O 3.33Å; L453-V460 HydrophobicContact CD2-CB 4.29Å; L453-V460 HydrophobicContact CD2-CG1 4.08Å; L453-V460 PolarHBondContact O-N 3.2Å; L453-L484 HydrophobicContact CD1-CD1 4.48Å; L453-L484 HydrophobicContact CD1-CD2 3.82Å; L453-L484 HydrophobicContact CD2-CD1 3.92Å; L453-L484 HydrophobicContact CD2-CD2 4.42Å
454	H	92	Very high	90.3	Very high	26 Å²	26	39.5 Å²	39.5	12%	0.12	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.3	177.3	-60.1	162.2	0	0	0	113.8	L450 V460 E516 D519	L450-H454 WeakPolarHBondContact O-CB 3.3Å; L450-H454 PolarHBondContact O-N 3.25Å; L450-H454 PolarHBondContact O-ND1 2.74Å; H454-V460 PolarHBondContact CD2-O 3.36Å; H454-E516 HydrophobicContact CB-CG 3.89Å; H454-E516 VanDerWaalsContact CD2-CG 3.47Å; H454-E516 WeakPolarHBondContact CD2-CG 3.39Å; H454-D519 IonicContact CD2-OD2 2.82Å; H454-D519 IonicContact CE1-OD2 2.85Å; H454-D519 IonicContact NE2-OD2 3.64Å; H454-D519 PolarHBondContact NE2-OD2 3.42Å
455	T	90.9	Very high	90.2	Very high	62 Å²	62	37.4 Å²	37.4	38%	0.38	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	19.4	173.7	58.1	0	0	0	0	113.2	S451 F452 L453	S451-T455 WeakPolarHBondContact O-CB 3.39Å; S451-T455 WeakPolarHBondContact O-CG2 3.19Å; S451-T455 PolarHBondContact O-N 2.68Å; S451-T455 PolarHBondContact O-OG1 3.29Å; F452-T455 PolarHBondContact O-N 2.82Å; F452-T455 PolarHBondContact O-OG1 3.26Å; L453-T455 PolarHBondContact O-N 2.97Å
456	R	88.4	Confident	90.1	Very high	86 Å²	86	37.5 Å²	37.5	33%	0.325	20%	0.196	S	C	.	.	S	Bend	trans	-78.3	166.4	165	-61.8	-51	86.3	-158.2	-6.8	110.3	L388 F452 L453 P458 P459 V460	L388-R456 HydrophobicContact CD2-CG 3.73Å; F452-R456 PolarHBondContact O-NE 2.83Å; F452-R456 PolarHBondContact O-NH2 2.73Å; L453-R456 WeakPolarHBondContact O-CB 3.4Å; L453-R456 WeakPolarHBondContact O-CG 3.42Å; L453-R456 PolarHBondContact O-N 3.12Å; L453-R456 VanDerWaalsContact O-N 3.12Å; R456-P458 CarbonylContact C-O 3.59Å; R456-P458 WeakPolarHBondContact CB-O 3.47Å; R456-P458 CarbonylContact O-C 3.47Å; R456-P459 WeakPolarHBondContact O-CA 3.36Å; R456-P459 VanDerWaalsContact O-N 3.13Å; R456-V460 HydrophobicContact CB-CG2 4.06Å; R456-V460 HydrophobicContact CG-CG2 4.05Å
457	N	79.6	Confident	90	Very high	159 Å²	159	37.5 Å²	37.5	85%	0.85	20%	0.196	S	C	*	.	S	Bend	trans	-126.5	103.9	173.6	-68	95.1	0	0	0	108.4
458	P	82.2	Confident	89.7	Confident	77 Å²	77	40.1 Å²	40.1	50%	0.5	21%	0.209	S	C	.	.	S	Bend	cis	-66.9	159.7	-4	31.2	-37	0	0	0	113.1	M384 R456	M384-P458 HydrophobicContact CE-CG 4.41Å; M384-P458 HydrophobicContact SD-CG 3.89Å; R456-P458 CarbonylContact C-O 3.59Å; R456-P458 WeakPolarHBondContact CB-O 3.47Å; R456-P458 CarbonylContact O-C 3.47Å
459	P	85.7	Confident	89.5	Confident	63 Å²	63	35.4 Å²	35.4	41%	0.409	19%	0.19	S	C	.	.			trans	-58.8	141.7	173.3	-25.1	35.3	0	0	0	112.3	R456 E516	R456-P459 WeakPolarHBondContact O-CA 3.36Å; R456-P459 VanDerWaalsContact O-N 3.13Å; P459-E516 WeakPolarHBondContact CB-OE1 3.2Å
460	V	84.2	Confident	89.5	Confident	15 Å²	15	35.4 Å²	35.4	9%	0.091	19%	0.19	C	C	.	.			trans	-105.7	119.9	178.2	177.7	0	0	0	0	109.2	L453 H454 R456	L453-V460 CarbonylContact C-O 3.53Å; L453-V460 HydrophobicContact CB-CB 4.12Å; L453-V460 HydrophobicContact CB-CG1 4.45Å; L453-V460 VanDerWaalsContact CB-O 3.31Å; L453-V460 WeakPolarHBondContact CB-O 3.33Å; L453-V460 HydrophobicContact CD2-CB 4.29Å; L453-V460 HydrophobicContact CD2-CG1 4.08Å; L453-V460 PolarHBondContact O-N 3.2Å; H454-V460 PolarHBondContact CD2-O 3.36Å; R456-V460 HydrophobicContact CB-CG2 4.06Å; R456-V460 HydrophobicContact CG-CG2 4.05Å
461	I	85.6	Confident	89.5	Confident	24 Å²	24	37.3 Å²	37.3	12%	0.123	20%	0.198	C	C	.	.			trans	-104.2	134	179.1	-52	164.1	0	0	0	108.8	R463 Y514 E516 V518	I461-R463 HydrophobicContact CB-CG 4.31Å; I461-R463 HydrophobicContact CG2-CG 3.9Å; I461-Y514 HydrophobicContact CD1-CD2 4.35Å; I461-E516 HydrophobicContact CG1-CG 4.44Å; I461-V518 HydrophobicContact CG2-CG2 3.56Å
462	H	87.4	Confident	89.4	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.19	C	C	.	.			trans	-81.7	-37	-173	-171	-59.7	0	0	0	114	L450 D464 L465 I481 G482 L484 A487 D519	L450-H462 HydrophobicContact CD2-CB 4.5Å; H462-D464 PolarHBondContact CE1-O 3.49Å; H462-D464 VanDerWaalsContact CE1-O 3.29Å; H462-D464 VanDerWaalsContact ND1-C 3.31Å; H462-D464 PolarHBondContact O-N 2.98Å; H462-L465 HydrophobicContact CB-CB 4.47Å; H462-L465 WeakPolarHBondContact ND1-CA 3.18Å; H462-L465 PolarHBondContact ND1-N 2.98Å; H462-L465 VanDerWaalsContact ND1-N 3.16Å; H462-I481 WeakPolarHBondContact CD2-CG2 3.44Å; H462-I481 WeakPolarHBondContact NE2-CG2 3.4Å; H462-G482 PolarHBondContact NE2-O 3.26Å; H462-L484 HydrophobicContact CB-CD2 4.46Å; H462-L484 VanDerWaalsContact CD2-CD2 3.43Å; H462-L484 WeakPolarHBondContact CD2-CD2 3.34Å; H462-A487 WeakPolarHBondContact O-CB 3.38Å; H462-D519 WeakPolarHBondContact CA-OD1 2.98Å; H462-D519 WeakPolarHBondContact CB-OD1 3.47Å; H462-D519 PolarHBondContact N-OD1 3.18Å; H462-D519 VanDerWaalsContact N-OD1 3.14Å; H462-D519 PolarHBondContact N-OD2 3Å
463	R	81.8	Confident	89.3	Confident	30 Å²	30	37.6 Å²	37.6	11%	0.113	20%	0.201	C	C	.	.	S	Bend	trans	65.7	-32.2	169.7	-49.3	152	-179.3	-156	-16.8	117.4	I461 A487 T488 N491 M509 Y514 D519	I461-R463 HydrophobicContact CB-CG 4.31Å; I461-R463 HydrophobicContact CG2-CG 3.9Å; R463-A487 WeakPolarHBondContact CD-O 3.29Å; R463-A487 PolarHBondContact NH1-O 3.2Å; R463-T488 PolarHBondContact NH1-O 2.84Å; R463-N491 VanDerWaalsContact NH1-CG 3.34Å; R463-N491 PolarHBondContact NH1-OD1 3.05Å; R463-N491 PolarHBondContact NH2-ND2 3.12Å; R463-N491 PolarHBondContact NH2-OD1 3.32Å; R463-M509 HydrophobicContact CB-SD 4.22Å; R463-M509 WeakPolarHBondContact O-CE 3.48Å; R463-Y514 HydrophobicContact CG-CD2 4.4Å; R463-Y514 HydrophobicContact CG-CE2 3.72Å; R463-Y514 PolarHBondContact NE-OH 3.25Å; R463-Y514 PolarHBondContact NH1-OH 2.95Å; R463-Y514 PolarHBondContact NH2-OH 3.17Å; R463-D519 PolarHBondContact N-OD1 2.66Å
464	D	83	Confident	88.7	Confident	46 Å²	46	38.4 Å²	38.4	25%	0.246	21%	0.209	C	C	.	.	S	Bend	trans	-120.6	41.2	176.2	-167.6	49.5	0	0	0	110.9	H462 K466 N469	H462-D464 PolarHBondContact CE1-O 3.49Å; H462-D464 VanDerWaalsContact CE1-O 3.29Å; H462-D464 VanDerWaalsContact ND1-C 3.31Å; H462-D464 PolarHBondContact O-N 2.98Å; D464-K466 PolarHBondContact O-N 2.94Å; D464-K466 IonicContact OD1-NZ 2.69Å; D464-K466 PolarHBondContact OD1-NZ 3.38Å; D464-K466 VanDerWaalsContact OD2-CE 3.27Å; D464-K466 WeakPolarHBondContact OD2-CE 3.48Å; D464-K466 IonicContact OD2-NZ 3.53Å; D464-K466 PolarHBondContact OD2-NZ 3.34Å; D464-N469 PolarHBondContact O-ND2 3.13Å; D464-N469 PolarHBondContact OD2-ND2 3.12Å
465	L	92.1	Very high	87.8	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	23%	0.226	C	C	.	.			trans	-73.9	124.4	178.7	-175.3	74.9	0	0	0	109.6	L450 H462 I470 I481 A522 F523	L450-L465 HydrophobicContact CD1-CD2 3.91Å; L450-L465 HydrophobicContact CD2-CD2 4.14Å; L450-L465 HydrophobicContact CG-CD2 4.49Å; H462-L465 HydrophobicContact CB-CB 4.47Å; H462-L465 WeakPolarHBondContact ND1-CA 3.18Å; H462-L465 PolarHBondContact ND1-N 2.98Å; H462-L465 VanDerWaalsContact ND1-N 3.16Å; L465-I470 HydrophobicContact CD1-CD1 4.14Å; L465-I470 HydrophobicContact CD1-CG1 4.11Å; L465-I481 HydrophobicContact CD1-CD1 4.38Å; L465-I481 HydrophobicContact CD1-CG2 3.72Å; L465-A522 HydrophobicContact CB-CB 3.86Å; L465-A522 HydrophobicContact CD2-CB 4.3Å; L465-A522 HydrophobicContact CG-CB 4.49Å; L465-F523 HydrophobicContact CD2-CB 4.15Å
466	K	92.1	Very high	86.8	Confident	31 Å²	31	44 Å²	44	14%	0.135	25%	0.245	C	C	.	.	S	Bend	trans	-161.1	163.6	179.8	59.7	-158.9	176.7	-157	0	110.8	D464 D468 N469 I470 T501 F504 C526	D464-K466 PolarHBondContact O-N 2.94Å; D464-K466 IonicContact OD1-NZ 2.69Å; D464-K466 PolarHBondContact OD1-NZ 3.38Å; D464-K466 VanDerWaalsContact OD2-CE 3.27Å; D464-K466 WeakPolarHBondContact OD2-CE 3.48Å; D464-K466 IonicContact OD2-NZ 3.53Å; D464-K466 PolarHBondContact OD2-NZ 3.34Å; K466-D468 HydrophobicContact CG-CB 4.21Å; K466-D468 PolarHBondContact O-N 3.47Å; K466-N469 HydrophobicContact CG-CB 4.28Å; K466-N469 PolarHBondContact O-N 2.86Å; K466-I470 WeakPolarHBondContact O-CG1 3.37Å; K466-I470 PolarHBondContact O-N 3.47Å; K466-T501 PolarHBondContact NZ-OG1 2.73Å; K466-F504 HydrophobicContact CB-CD1 3.93Å; K466-F504 HydrophobicContact CB-CE1 4.1Å; K466-F504 HydrophobicContact CB-CG 4.23Å; K466-C526 VanDerWaalsContact CA-SG 3.55Å
467	C	94.5	Very high	86.4	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.007	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.2	179.8	-65.1	0	0	0	0	114.6	L424 K425 E529	L424-C467 HydrophobicContact CB-CB 4.12Å; L424-C467 WeakPolarHBondContact CB-O 3.49Å; L424-C467 HydrophobicContact CD2-CB 4.1Å; L424-C467 VanDerWaalsContact CD2-SG 3.6Å; L424-C467 HydrophobicContact CG-CB 3.99Å; L424-C467 PolarHBondContact N-O 3.02Å; L424-C467 VanDerWaalsContact N-O 3.14Å; K425-C467 HydrophobicContact CB-CB 3.99Å; K425-C467 WeakPolarHBondContact CB-O 3.24Å; K425-C467 PolarHBondContact N-O 2.88Å; C467-E529 WeakPolarHBondContact CB-OE2 3.39Å; C467-E529 PolarHBondContact SG-OE2 3.46Å
468	D	91.3	Very high	87	Confident	54 Å²	54	35.3 Å²	35.3	29%	0.289	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-30.9	170.5	-123.8	-10.5	0	0	0	113.3	T423 K425 K466 I470	T423-D468 WeakPolarHBondContact CB-O 3.28Å; T423-D468 WeakPolarHBondContact CG2-O 3.43Å; T423-D468 PolarHBondContact OG1-OD1 3.46Å; K425-D468 HydrophobicContact CD-CB 3.89Å; K425-D468 WeakPolarHBondContact CD-OD1 3.32Å; K425-D468 WeakPolarHBondContact CD-OD2 3.08Å; K425-D468 WeakPolarHBondContact CE-OD2 3.03Å; K425-D468 IonicContact NZ-OD2 2.66Å; K425-D468 PolarHBondContact NZ-OD2 2.89Å; K466-D468 HydrophobicContact CG-CB 4.21Å; K466-D468 PolarHBondContact O-N 3.47Å; D468-I470 VanDerWaalsContact C-N 3.35Å
469	N	93.3	Very high	87.7	Confident	10 Å²	10	31.7 Å²	31.7	5%	0.053	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-1.7	-178.4	-63.5	1.9	0	0	0	112	D464 K466 F471 G482 D483	D464-N469 PolarHBondContact O-ND2 3.13Å; D464-N469 PolarHBondContact OD2-ND2 3.12Å; K466-N469 HydrophobicContact CG-CB 4.28Å; K466-N469 PolarHBondContact O-N 2.86Å; N469-F471 WeakPolarHBondContact O-CD2 3.31Å; N469-G482 PolarHBondContact O-N 3.34Å; N469-D483 HydrophobicContact CB-CB 4.41Å
470	I	95.6	Very high	88.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	109.7	173.7	-61.9	163	0	0	0	108.2	T423 L424 I446 L465 K466 D468 V479 C526	T423-I470 CarbonylContact C-O 3.16Å; T423-I470 WeakPolarHBondContact CA-O 3.45Å; L424-I470 HydrophobicContact CB-CB 4.24Å; L424-I470 HydrophobicContact CB-CG2 4.2Å; L424-I470 HydrophobicContact CD2-CB 4.34Å; L424-I470 HydrophobicContact CD2-CD1 4.27Å; L424-I470 HydrophobicContact CD2-CG2 4.1Å; L424-I470 PolarHBondContact N-O 3.14Å; I446-I470 HydrophobicContact CD1-CD1 3.9Å; I446-I470 HydrophobicContact CD1-CG2 4.18Å; I446-I470 HydrophobicContact CG1-CD1 4.24Å; I446-I470 HydrophobicContact CG1-CG2 4.18Å; I446-I470 HydrophobicContact CG2-CD1 4.5Å; L465-I470 HydrophobicContact CD1-CD1 4.14Å; L465-I470 HydrophobicContact CD1-CG1 4.11Å; K466-I470 WeakPolarHBondContact O-CG1 3.37Å; K466-I470 PolarHBondContact O-N 3.47Å; D468-I470 VanDerWaalsContact C-N 3.35Å; I470-V479 HydrophobicContact CG2-CB 4Å; I470-V479 HydrophobicContact CG2-CG1 4.08Å; I470-C526 HydrophobicContact CD1-CB 4.43Å
471	F	95.7	Very high	88.8	Confident	39 Å²	39	29.1 Å²	29.1	17%	0.171	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	142.9	-177.6	-63.4	-92.5	0	0	0	111.4	V394 M419 G422 T423 N469 V479 K480	V394-F471 HydrophobicContact CG2-CD2 3.84Å; V394-F471 HydrophobicContact CG2-CE2 4.48Å; V394-F471 HydrophobicContact CG2-CG 4.45Å; M419-F471 HydrophobicContact CB-CB 3.78Å; M419-F471 HydrophobicContact CB-CD1 3.39Å; M419-F471 HydrophobicContact CB-CE1 4.13Å; M419-F471 HydrophobicContact CB-CG 3.71Å; M419-F471 HydrophobicContact CE-CB 3.55Å; M419-F471 HydrophobicContact CG-CB 3.67Å; M419-F471 HydrophobicContact CG-CD1 3.89Å; M419-F471 HydrophobicContact CG-CD2 4.3Å; M419-F471 HydrophobicContact CG-CG 3.69Å; M419-F471 HydrophobicContact SD-CB 4.35Å; G422-F471 WeakPolarHBondContact O-CA 3.28Å; T423-F471 HydrophobicContact CG2-CD1 3.91Å; T423-F471 HydrophobicContact CG2-CE1 3.82Å; T423-F471 HydrophobicContact CG2-CZ 4.48Å; N469-F471 WeakPolarHBondContact O-CD2 3.31Å; F471-V479 CarbonylContact O-C 3.55Å; F471-V479 VanDerWaalsContact O-CA 3.28Å; F471-V479 WeakPolarHBondContact O-CA 3.39Å; F471-K480 PolarHBondContact N-O 2.8Å; F471-K480 PolarHBondContact O-N 3.37Å
472	I	94.6	Very high	89.1	Confident	6 Å²	6	28.1 Å²	28.1	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	144.3	170.5	51.8	165	0	0	0	110.4	S421 G422 Y427 W442 V479	S421-I472 WeakPolarHBondContact CB-O 2.94Å; S421-I472 WeakPolarHBondContact O-CD1 3.3Å; S421-I472 WeakPolarHBondContact O-CG1 3.46Å; G422-I472 WeakPolarHBondContact O-CG1 3.18Å; G422-I472 PolarHBondContact O-N 3.08Å; Y427-I472 HydrophobicContact CD2-CD1 3.8Å; Y427-I472 HydrophobicContact CG-CD1 4.46Å; W442-I472 HydrophobicContact CH2-CG2 3.91Å; W442-I472 HydrophobicContact CZ2-CG2 3.85Å; W442-I472 HydrophobicContact CZ3-CG2 4.4Å; I472-V479 HydrophobicContact CG2-CG1 3.74Å
473	T	92	Very high	88.9	Confident	59 Å²	59	30.1 Å²	30.1	36%	0.362	18%	0.177	S	C	.	.	S	Bend	trans	-83.1	-15.9	169.1	63.3	0	0	0	0	112.9	M419 S421 S478 K480	M419-T473 HydrophobicContact CE-CG2 3.96Å; S421-T473 PolarHBondContact OG-O 2.69Å; T473-S478 WeakPolarHBondContact CG2-OG 3.42Å; T473-S478 PolarHBondContact N-O 2.86Å; T473-S478 PolarHBondContact OG1-N 2.72Å; T473-S478 PolarHBondContact OG1-O 3.26Å; T473-S478 PolarHBondContact OG1-OG 2.84Å; T473-S478 VanDerWaalsContact OG1-OG 3.06Å; T473-K480 HydrophobicContact CG2-CD 4.07Å
474	G	80.7	Confident	88.8	Confident	16 Å²	16	29.3 Å²	29.3	17%	0.165	18%	0.175	C	C	.	.	S	Bend	trans	173.6	169.7	179.5	0	0	0	0	0	111.8	T476 G477	G474-T476 PolarHBondContact O-N 2.68Å; G474-G477 PolarHBondContact O-N 3Å
475	T	72.8	Confident	87.6	Confident	78 Å²	78	27.5 Å²	27.5	48%	0.479	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-21.2	-175	48.9	0	0	0	0	114.9	Y427 F431	Y427-T475 HydrophobicContact CE2-CG2 4.33Å; F431-T475 HydrophobicContact CE2-CG2 4.2Å; F431-T475 HydrophobicContact CZ-CG2 4.36Å
476	T	69.3	Low	86.1	Confident	128 Å²	128	30.2 Å²	30.2	79%	0.785	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122	22.3	170.3	64.1	0	0	0	0	111.2	G474	G474-T476 PolarHBondContact O-N 2.68Å
477	G	80.9	Confident	84.3	Confident	21 Å²	21	29 Å²	29	22%	0.216	18%	0.177	C	C	.	.	S	Bend	trans	-92.6	-170.8	-171.3	0	0	0	0	0	114.4	W442 G474	W442-G477 PolarHBondContact NE1-O 2.71Å; G474-G477 PolarHBondContact O-N 3Å
478	S	93.1	Very high	82.2	Confident	41 Å²	41	29.5 Å²	29.5	29%	0.287	18%	0.18	S	C	.	.			trans	-78.9	162.7	168.3	45.5	0	0	0	0	112.2	T473	T473-S478 WeakPolarHBondContact CG2-OG 3.42Å; T473-S478 PolarHBondContact N-O 2.86Å; T473-S478 PolarHBondContact OG1-N 2.72Å; T473-S478 PolarHBondContact OG1-O 3.26Å; T473-S478 PolarHBondContact OG1-OG 2.84Å; T473-S478 VanDerWaalsContact OG1-OG 3.06Å
479	V	96.4	Very high	80.4	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	148.1	166.6	-75.7	0	0	0	0	111.3	N392 W442 Q445 I446 I470 F471 I472	N392-V479 WeakPolarHBondContact CA-O 3.31Å; N392-V479 WeakPolarHBondContact CB-O 3.37Å; N392-V479 PolarHBondContact ND2-O 3.32Å; W442-V479 HydrophobicContact CB-CG1 4.06Å; W442-V479 HydrophobicContact CB-CG2 3.97Å; W442-V479 HydrophobicContact CD2-CG1 3.85Å; W442-V479 HydrophobicContact CE3-CG1 4.46Å; W442-V479 HydrophobicContact CG-CG1 3.66Å; W442-V479 HydrophobicContact CG-CG2 4.2Å; W442-V479 WeakPolarHBondContact O-CG2 3.46Å; Q445-V479 HydrophobicContact CB-CG2 3.49Å; Q445-V479 VanDerWaalsContact CB-CG2 3.49Å; Q445-V479 HydrophobicContact CG-CG2 4.48Å; I446-V479 HydrophobicContact CG1-CG2 3.99Å; I470-V479 HydrophobicContact CG2-CB 4Å; I470-V479 HydrophobicContact CG2-CG1 4.08Å; F471-V479 CarbonylContact O-C 3.55Å; F471-V479 VanDerWaalsContact O-CA 3.28Å; F471-V479 WeakPolarHBondContact O-CA 3.39Å; I472-V479 HydrophobicContact CG2-CG1 3.74Å
480	K	97.2	Very high	78.4	Confident	23 Å²	23	31.6 Å²	31.6	10%	0.1	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	129.6	177.8	-80.1	168.7	163	-89.5	0	110.2	P391 N392 I393 V394 E417 M419 F471 T473	P391-K480 WeakPolarHBondContact O-CE 3.45Å; P391-K480 WeakPolarHBondContact O-CG 3.49Å; N392-K480 WeakPolarHBondContact O-CA 3.48Å; I393-K480 PolarHBondContact O-NZ 3.08Å; V394-K480 HydrophobicContact CG2-CB 3.75Å; E417-K480 WeakPolarHBondContact OE1-CE 3.41Å; E417-K480 IonicContact OE1-NZ 3.81Å; E417-K480 PolarHBondContact OE1-NZ 3.09Å; E417-K480 IonicContact OE2-NZ 3.67Å; E417-K480 PolarHBondContact OE2-NZ 3.19Å; M419-K480 HydrophobicContact CE-CB 4.16Å; M419-K480 HydrophobicContact CE-CD 3.83Å; M419-K480 HydrophobicContact SD-CD 3.81Å; F471-K480 PolarHBondContact N-O 2.8Å; F471-K480 PolarHBondContact O-N 3.37Å; T473-K480 HydrophobicContact CG2-CD 4.07Å
481	I	96	Very high	76.2	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	128.9	175.7	-48	174.8	0	0	0	108.9	N392 I393 V394 I446 L450 H462 L465	N392-I481 PolarHBondContact O-N 2.98Å; I393-I481 WeakPolarHBondContact CA-O 3.46Å; I393-I481 HydrophobicContact CD1-CB 3.98Å; I393-I481 HydrophobicContact CD1-CD1 4.25Å; I393-I481 HydrophobicContact CD1-CG1 4.41Å; V394-I481 PolarHBondContact N-O 2.67Å; I446-I481 HydrophobicContact CG2-CD1 4.03Å; L450-I481 HydrophobicContact CD2-CD1 4.04Å; L450-I481 HydrophobicContact CG-CD1 4.14Å; H462-I481 WeakPolarHBondContact CD2-CG2 3.44Å; H462-I481 WeakPolarHBondContact NE2-CG2 3.4Å; L465-I481 HydrophobicContact CD1-CD1 4.38Å; L465-I481 HydrophobicContact CD1-CG2 3.72Å
482	G	91.9	Very high	73.9	Confident	3 Å²	3	39 Å²	39	3%	0.031	22%	0.223	C	C	.	.			trans	-122.1	-162.7	-177.5	0	0	0	0	0	114	H462 N469 L484	H462-G482 PolarHBondContact NE2-O 3.26Å; N469-G482 PolarHBondContact O-N 3.34Å; G482-L484 PolarHBondContact O-N 3.46Å
483	D	83.6	Confident	71.1	Confident	43 Å²	43	41.3 Å²	41.3	23%	0.23	24%	0.239	C	C	.	.			trans	57.9	9	177.7	-90.2	19.4	0	0	0	117.7	K346 N469 G485 L486	K346-D483 IonicContact NZ-OD1 2.68Å; K346-D483 PolarHBondContact NZ-OD1 3.04Å; K346-D483 IonicContact NZ-OD2 3.89Å; K346-D483 PolarHBondContact NZ-OD2 2.79Å; N469-D483 HydrophobicContact CB-CB 4.41Å; D483-G485 PolarHBondContact O-N 2.88Å; D483-L486 PolarHBondContact O-N 3.49Å
484	L	78	Confident	68.2	Low	13 Å²	13	47.6 Å²	47.6	7%	0.068	26%	0.262	C	S	.	.	H	α-helix	trans	-48.4	-32.8	176.9	-66	174.4	0	0	0	114.6	L385 L388 I393 L453 H462 G482 L486 A487 T488	L385-L484 HydrophobicContact CD1-CB 4.49Å; L385-L484 HydrophobicContact CD2-CB 3.92Å; L385-L484 HydrophobicContact CD2-CD1 4.46Å; L388-L484 HydrophobicContact CD1-CD1 4.06Å; I393-L484 HydrophobicContact CG2-CD1 3.72Å; L453-L484 HydrophobicContact CD1-CD1 4.48Å; L453-L484 HydrophobicContact CD1-CD2 3.82Å; L453-L484 HydrophobicContact CD2-CD1 3.92Å; L453-L484 HydrophobicContact CD2-CD2 4.42Å; H462-L484 HydrophobicContact CB-CD2 4.46Å; H462-L484 VanDerWaalsContact CD2-CD2 3.43Å; H462-L484 WeakPolarHBondContact CD2-CD2 3.34Å; G482-L484 PolarHBondContact O-N 3.46Å; L484-L486 PolarHBondContact O-N 2.84Å; L484-A487 VanDerWaalsContact O-CB 3.3Å; L484-A487 WeakPolarHBondContact O-CB 3.2Å; L484-A487 PolarHBondContact O-N 2.9Å; L484-T488 PolarHBondContact O-N 2.58Å
485	G	58.6	Low	66	Low	9 Å²	9	49.2 Å²	49.2	9%	0.093	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-16.7	176.9	0	0	0	0	0	115.4	D483 L489	D483-G485 PolarHBondContact O-N 2.88Å; G485-L489 WeakPolarHBondContact O-CD1 3.5Å
486	L	60.5	Low	64.3	Low	58 Å²	58	55.7 Å²	55.7	30%	0.304	30%	0.295	S	S	.	.	H	α-helix	trans	-97.9	-22.1	171	-66.2	-176.4	0	0	0	113	K346 L365 D483 L484 L489	K346-L486 HydrophobicContact CD-CD1 4.08Å; L365-L486 HydrophobicContact CD1-CD2 3.79Å; L365-L486 HydrophobicContact CD2-CD2 3.84Å; D483-L486 PolarHBondContact O-N 3.49Å; L484-L486 PolarHBondContact O-N 2.84Å; L486-L489 HydrophobicContact CD2-CD1 3.96Å
487	A	55.1	Low	62.8	Low	4 Å²	4	53 Å²	53	3%	0.033	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-53.8	177.8	0	0	0	0	0	110.9	H462 R463 L484 K490	H462-A487 WeakPolarHBondContact O-CB 3.38Å; R463-A487 WeakPolarHBondContact CD-O 3.29Å; R463-A487 PolarHBondContact NH1-O 3.2Å; L484-A487 VanDerWaalsContact O-CB 3.3Å; L484-A487 WeakPolarHBondContact O-CB 3.2Å; L484-A487 PolarHBondContact O-N 2.9Å; A487-K490 PolarHBondContact O-N 2.71Å
488	T	50.2	Low	60.6	Low	13 Å²	13	57.3 Å²	57.3	8%	0.08	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-63.8	-45.8	-175.2	70.9	0	0	0	0	110.8	E381 R463 L484 K490 N491	E381-T488 HydrophobicContact CB-CG2 4.31Å; E381-T488 WeakPolarHBondContact CB-OG1 3.39Å; E381-T488 WeakPolarHBondContact OE2-CB 3.41Å; E381-T488 PolarHBondContact OE2-OG1 2.86Å; R463-T488 PolarHBondContact NH1-O 2.84Å; L484-T488 PolarHBondContact O-N 2.58Å; T488-K490 PolarHBondContact O-N 2.92Å; T488-N491 VanDerWaalsContact O-CB 3.25Å; T488-N491 WeakPolarHBondContact O-CB 3.43Å; T488-N491 PolarHBondContact O-N 3.27Å; T488-N491 PolarHBondContact O-ND2 2.92Å
489	L	52.5	Low	58.6	Low	32 Å²	32	58.3 Å²	58.3	17%	0.168	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-48.1	-33.3	-179.9	-93.5	175.5	0	0	0	115.5	L365 L370 F378 E381 G485 L486 N491	L365-L489 HydrophobicContact CD1-CD1 3.79Å; L370-L489 HydrophobicContact CD2-CD2 4.16Å; F378-L489 HydrophobicContact CB-CD2 3.73Å; F378-L489 HydrophobicContact CD2-CD1 3.86Å; F378-L489 HydrophobicContact CD2-CD2 3.48Å; F378-L489 VanDerWaalsContact CD2-CD2 3.48Å; F378-L489 HydrophobicContact CD2-CG 3.54Å; F378-L489 HydrophobicContact CE2-CD1 4.08Å; F378-L489 HydrophobicContact CE2-CD2 4.48Å; F378-L489 HydrophobicContact CE2-CG 4.16Å; F378-L489 HydrophobicContact CG-CD2 3.92Å; F378-L489 HydrophobicContact CG-CG 4.46Å; E381-L489 PolarHBondContact OE2-N 3.21Å; G485-L489 WeakPolarHBondContact O-CD1 3.5Å; L486-L489 HydrophobicContact CD2-CD1 3.96Å; L489-N491 PolarHBondContact O-N 3.38Å
490	K	51.2	Low	56.4	Low	76 Å²	76	59.3 Å²	59.3	33%	0.33	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-71.3	16.2	-173.1	-154	-168.6	172.8	-171.5	0	113.8	A487 T488 I499	A487-K490 PolarHBondContact O-N 2.71Å; T488-K490 PolarHBondContact O-N 2.92Å; K490-I499 HydrophobicContact CD-CG2 4.4Å; K490-I499 WeakPolarHBondContact CE-O 3.31Å; K490-I499 PolarHBondContact NZ-O 2.71Å
491	N	50	Low	54.1	Low	55 Å²	55	59.7 Å²	59.7	29%	0.294	32%	0.32	S	S	.	.	S	Bend	trans	-79.8	-20.8	-154.5	-123.8	-23.3	0	0	0	117	E381 R463 T488 L489 Y514	E381-N491 PolarHBondContact OE1-ND2 2.82Å; R463-N491 VanDerWaalsContact NH1-CG 3.34Å; R463-N491 PolarHBondContact NH1-OD1 3.05Å; R463-N491 PolarHBondContact NH2-ND2 3.12Å; R463-N491 PolarHBondContact NH2-OD1 3.32Å; T488-N491 VanDerWaalsContact O-CB 3.25Å; T488-N491 WeakPolarHBondContact O-CB 3.43Å; T488-N491 PolarHBondContact O-N 3.27Å; T488-N491 PolarHBondContact O-ND2 2.92Å; L489-N491 PolarHBondContact O-N 3.38Å; N491-Y514 PolarHBondContact OD1-OH 3.22Å
492	K	47.2	Very low	52.3	Low	140 Å²	140	60.2 Å²	60.2	61%	0.609	32%	0.323	S	S	*	.	S	Bend	trans	-165.9	47.2	-174.2	-143.7	149.1	-63.9	-155.4	0	117.6	R377	R377-K492 VanDerWaalsContact NH1-CB 3.35Å
493	S	36.2	Very low	50.7	Low	54 Å²	54	61.4 Å²	61.4	38%	0.378	33%	0.328	S	S	.	.			trans	-132.7	131	172.6	59.5	0	0	0	0	111.7	E374 A495	E374-S493 VanDerWaalsContact OE1-CB 3.26Å; E374-S493 WeakPolarHBondContact OE1-CB 3.49Å; S493-A495 PolarHBondContact O-N 3.49Å
494	F	30.4	Very low	49.6	Very low	190 Å²	190	59.9 Å²	59.9	83%	0.833	32%	0.319	S	S	*	.			trans	-63.6	64.6	178.4	-116	-113.9	0	0	0	112.1	K496	F494-K496 PolarHBondContact O-N 3.26Å
495	A	34.2	Very low	48.9	Very low	51 Å²	51	59.9 Å²	59.9	42%	0.421	32%	0.319	S	S	.	.			trans	-75.5	89.1	-169.8	0	0	0	0	0	110.9	S493 S497 I499	S493-A495 PolarHBondContact O-N 3.49Å; A495-S497 PolarHBondContact O-N 2.81Å; A495-I499 HydrophobicContact CB-CD1 3.97Å
496	K	38	Very low	48.8	Very low	214 Å²	214	59.5 Å²	59.5	93%	0.93	32%	0.315	S	S	*	.			trans	-72.4	40.1	-178.6	-155.1	163.9	-172	161.7	0	113.7	F494	F494-K496 PolarHBondContact O-N 3.26Å
497	S	37.5	Very low	48.8	Very low	70 Å²	70	57.4 Å²	57.4	49%	0.49	31%	0.305	S	S	.	.	S	Bend	trans	-146.7	145.1	-175.8	54.1	0	0	0	0	108.6	A495 I499	A495-S497 PolarHBondContact O-N 2.81Å; S497-I499 PolarHBondContact O-N 3.48Å
498	V	35.7	Very low	49.2	Very low	113 Å²	113	57.9 Å²	57.9	69%	0.685	31%	0.306	S	S	*	.			trans	-61.8	102.8	-179.8	-175.4	0	0	0	0	110.4
499	I	51	Low	49.4	Very low	62 Å²	62	58.4 Å²	58.4	32%	0.318	31%	0.308	S	S	.	.			trans	-129.7	119.5	175.8	-57.5	-178.3	0	0	0	108.8	F345 K490 A495 S497	F345-I499 HydrophobicContact CE2-CD1 4.27Å; F345-I499 HydrophobicContact CZ-CD1 3.99Å; K490-I499 HydrophobicContact CD-CG2 4.4Å; K490-I499 WeakPolarHBondContact CE-O 3.31Å; K490-I499 PolarHBondContact NZ-O 2.71Å; A495-I499 HydrophobicContact CB-CD1 3.97Å; S497-I499 PolarHBondContact O-N 3.48Å
500	G	49.4	Very low	49.3	Very low	21 Å²	21	61 Å²	61	22%	0.216	32%	0.316	C	S	.	.	S	Bend	trans	108.3	149.4	-159.5	0	0	0	0	0	109.4	P502	G500-P502 WeakPolarHBondContact O-CD 3.47Å
501	T	49	Very low	49.5	Very low	32 Å²	32	63.9 Å²	63.9	20%	0.196	33%	0.331	C	S	.	.			trans	-96.9	99.8	-179.3	-64	0	0	0	0	106.6	K466 E503 F504 Y535	K466-T501 PolarHBondContact NZ-OG1 2.73Å; T501-E503 WeakPolarHBondContact CG2-OE2 3.4Å; T501-E503 PolarHBondContact O-N 2.7Å; T501-F504 HydrophobicContact CG2-CD2 3.87Å; T501-F504 HydrophobicContact CG2-CE2 4.45Å; T501-F504 PolarHBondContact O-N 3.49Å; T501-Y535 WeakPolarHBondContact CG2-OH 3.41Å
502	P	57.2	Low	49.6	Very low	11 Å²	11	66.6 Å²	66.6	7%	0.071	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-61.8	-22.7	-156.7	24.3	-34.8	0	0	0	114	G500 F504 M505 P543 I546	G500-P502 WeakPolarHBondContact O-CD 3.47Å; P502-F504 PolarHBondContact O-N 2.9Å; P502-M505 PolarHBondContact O-N 2.85Å; P502-P543 HydrophobicContact CB-CB 4.23Å; P502-P543 HydrophobicContact CG-CB 3.89Å; P502-P543 HydrophobicContact CG-CG 4.05Å; P502-I546 HydrophobicContact CB-CG2 4.45Å; P502-I546 HydrophobicContact CG-CD1 4.16Å
503	E	59.8	Low	49.9	Very low	29 Å²	29	67 Å²	67	14%	0.136	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-67.7	-25.1	176.9	-50.2	79.6	-169.2	0	0	112.8	T501 Y535 P536 Y537 I546	T501-E503 WeakPolarHBondContact CG2-OE2 3.4Å; T501-E503 PolarHBondContact O-N 2.7Å; E503-Y535 HydrophobicContact CB-CE1 4.16Å; E503-Y535 HydrophobicContact CG-CD1 4.38Å; E503-Y535 HydrophobicContact CG-CE1 3.63Å; E503-Y535 PolarHBondContact OE2-OH 3.34Å; E503-P536 WeakPolarHBondContact CG-O 3.45Å; E503-Y537 HydrophobicContact CB-CD2 4.16Å; E503-I546 HydrophobicContact CG-CD1 3.7Å; E503-I546 HydrophobicContact CG-CG1 4.49Å; E503-I546 WeakPolarHBondContact OE1-CD1 3.38Å
504	F	59.5	Low	51.2	Low	10 Å²	10	66.6 Å²	66.6	4%	0.044	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-103.5	-1.1	-179.7	-67.9	-105.4	0	0	0	112.4	K466 T501 P502 M525 E529 Y535 P536	K466-F504 HydrophobicContact CB-CD1 3.93Å; K466-F504 HydrophobicContact CB-CE1 4.1Å; K466-F504 HydrophobicContact CB-CG 4.23Å; T501-F504 HydrophobicContact CG2-CD2 3.87Å; T501-F504 HydrophobicContact CG2-CE2 4.45Å; T501-F504 PolarHBondContact O-N 3.49Å; P502-F504 PolarHBondContact O-N 2.9Å; F504-M525 HydrophobicContact CD1-CB 3.64Å; F504-M525 HydrophobicContact CE1-CB 3.83Å; F504-M525 HydrophobicContact CG-CB 4.28Å; F504-E529 WeakPolarHBondContact CZ-OE2 3.22Å; F504-Y535 HydrophobicContact CE2-CD2 4.3Å; F504-Y535 AromaticContact CE2-CE2 3.6Å; F504-Y535 HydrophobicContact CE2-CE2 3.6Å; F504-Y535 AromaticContact CE2-CZ 3.76Å; F504-Y535 HydrophobicContact CZ-CE2 4.18Å; F504-P536 HydrophobicContact CE2-CG 4.39Å; F504-P536 HydrophobicContact CZ-CG 4.08Å
505	M	64.1	Low	53.6	Low	13 Å²	13	59.4 Å²	59.4	6%	0.064	31%	0.308	C	S	.	.			trans	-83.4	126.9	-179.3	-63.3	-173	56.6	0	0	110.9	P502 M509 Y510 Y521	P502-M505 PolarHBondContact O-N 2.85Å; M505-M509 HydrophobicContact CB-CE 3.84Å; M505-M509 HydrophobicContact CE-CB 4.39Å; M505-M509 HydrophobicContact CE-CE 3.96Å; M505-M509 HydrophobicContact CE-CG 4.1Å; M505-M509 HydrophobicContact CG-CE 3.58Å; M505-M509 HydrophobicContact SD-CE 4.44Å; M505-Y510 HydrophobicContact CB-CE2 3.94Å; M505-Y510 HydrophobicContact CE-CD1 4.23Å; M505-Y510 HydrophobicContact CE-CD2 4.38Å; M505-Y510 HydrophobicContact CE-CE1 3.72Å; M505-Y510 HydrophobicContact CE-CE2 3.9Å; M505-Y510 HydrophobicContact SD-CE1 4.38Å; M505-Y521 WeakPolarHBondContact O-CE1 3.36Å
506	A	56.6	Low	56.1	Low	1 Å²	1	60.3 Å²	60.3	1%	0.008	30%	0.304	C	S	.	.			trans	-68.7	150.9	168.7	0	0	0	0	0	110.7	E508 M509 V518 Y521	A506-E508 VanDerWaalsContact C-N 3.32Å; A506-E508 WeakPolarHBondContact CB-OE1 3.35Å; A506-E508 WeakPolarHBondContact CB-OE2 3.48Å; A506-E508 PolarHBondContact O-N 3.43Å; A506-M509 WeakPolarHBondContact O-CB 3.47Å; A506-M509 PolarHBondContact O-N 3.07Å; A506-M509 VanDerWaalsContact O-N 3.11Å; A506-V518 HydrophobicContact CB-CB 4.43Å; A506-V518 HydrophobicContact CB-CG1 4.19Å; A506-Y521 HydrophobicContact CB-CD1 3.81Å; A506-Y521 HydrophobicContact CB-CD2 4.23Å; A506-Y521 HydrophobicContact CB-CE1 4.4Å; A506-Y521 HydrophobicContact CB-CG 3.71Å
507	P	60.2	Low	58.6	Low	15 Å²	15	50.9 Å²	50.9	10%	0.097	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-58.8	-37.6	-175.8	20.8	-31.4	0	0	0	113.7	M509 Y510 V550 I551 V579	P507-M509 VanDerWaalsContact C-N 3.3Å; P507-M509 PolarHBondContact O-N 2.72Å; P507-Y510 WeakPolarHBondContact O-CD2 3.32Å; P507-Y510 PolarHBondContact O-N 3.42Å; P507-V550 HydrophobicContact CB-CG1 4.08Å; P507-V550 HydrophobicContact CG-CG1 4.3Å; P507-I551 HydrophobicContact CB-CG1 4.02Å; P507-V579 HydrophobicContact CG-CG1 4.18Å; P507-V579 WeakPolarHBondContact CG-O 3.39Å
508	E	64.6	Low	61	Low	13 Å²	13	47.7 Å²	47.7	6%	0.061	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-74.2	-14.1	179.2	74.3	-70.6	171.5	0	0	113.9	A506 Y510 E511 V518 R584	A506-E508 VanDerWaalsContact C-N 3.32Å; A506-E508 WeakPolarHBondContact CB-OE1 3.35Å; A506-E508 WeakPolarHBondContact CB-OE2 3.48Å; A506-E508 PolarHBondContact O-N 3.43Å; E508-Y510 PolarHBondContact O-N 3.14Å; E508-E511 PolarHBondContact O-N 3.4Å; E508-V518 HydrophobicContact CG-CG1 4.46Å; E508-V518 VanDerWaalsContact OE1-CG1 3.3Å; E508-V518 WeakPolarHBondContact OE1-CG1 3.22Å; E508-R584 IonicContact OE1-CZ 3.64Å; E508-R584 IonicContact OE1-NH1 2.77Å; E508-R584 PolarHBondContact OE1-NH1 3.18Å; E508-R584 IonicContact OE1-NH2 3.49Å; E508-R584 PolarHBondContact OE1-NH2 3.24Å; E508-R584 IonicContact OE2-CZ 3.55Å; E508-R584 IonicContact OE2-NH1 3.05Å; E508-R584 PolarHBondContact OE2-NH1 3.36Å; E508-R584 IonicContact OE2-NH2 3.5Å; E508-R584 PolarHBondContact OE2-NH2 3.31Å
509	M	52.8	Low	63.8	Low	24 Å²	24	42.3 Å²	42.3	12%	0.118	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-69.6	-3.5	175	-169.8	154.3	61.8	0	0	112.9	R463 M505 A506 P507 V518	R463-M509 HydrophobicContact CB-SD 4.22Å; R463-M509 WeakPolarHBondContact O-CE 3.48Å; M505-M509 HydrophobicContact CB-CE 3.84Å; M505-M509 HydrophobicContact CE-CB 4.39Å; M505-M509 HydrophobicContact CE-CE 3.96Å; M505-M509 HydrophobicContact CE-CG 4.1Å; M505-M509 HydrophobicContact CG-CE 3.58Å; M505-M509 HydrophobicContact SD-CE 4.44Å; A506-M509 WeakPolarHBondContact O-CB 3.47Å; A506-M509 PolarHBondContact O-N 3.07Å; A506-M509 VanDerWaalsContact O-N 3.11Å; P507-M509 VanDerWaalsContact C-N 3.3Å; P507-M509 PolarHBondContact O-N 2.72Å; M509-V518 HydrophobicContact CB-CG1 4.29Å
510	Y	51.2	Low	65.9	Low	86 Å²	86	39.6 Å²	39.6	34%	0.337	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-94.5	-7.1	169.4	-61.1	-89.9	0	0	0	113.3	M505 P507 E508 Y547	M505-Y510 HydrophobicContact CB-CE2 3.94Å; M505-Y510 HydrophobicContact CE-CD1 4.23Å; M505-Y510 HydrophobicContact CE-CD2 4.38Å; M505-Y510 HydrophobicContact CE-CE1 3.72Å; M505-Y510 HydrophobicContact CE-CE2 3.9Å; M505-Y510 HydrophobicContact SD-CE1 4.38Å; P507-Y510 WeakPolarHBondContact O-CD2 3.32Å; P507-Y510 PolarHBondContact O-N 3.42Å; E508-Y510 PolarHBondContact O-N 3.14Å; Y510-Y547 HydrophobicContact CD1-CD2 4.05Å; Y510-Y547 AromaticContact CD1-CE2 3.77Å; Y510-Y547 HydrophobicContact CD1-CE2 3.77Å; Y510-Y547 HydrophobicContact CD2-CD2 4.01Å; Y510-Y547 AromaticContact CD2-CE2 3.82Å; Y510-Y547 HydrophobicContact CD2-CE2 3.82Å; Y510-Y547 AromaticContact CE1-CD2 3.83Å; Y510-Y547 HydrophobicContact CE1-CD2 3.83Å; Y510-Y547 HydrophobicContact CE1-CE2 4.06Å; Y510-Y547 AromaticContact CE2-CD2 3.8Å; Y510-Y547 HydrophobicContact CE2-CD2 3.8Å; Y510-Y547 HydrophobicContact CE2-CE2 4.11Å; Y510-Y547 HydrophobicContact CG-CD2 4.13Å; Y510-Y547 AromaticContact CG-CE2 3.64Å; Y510-Y547 HydrophobicContact CG-CE2 3.64Å; Y510-Y547 AromaticContact CZ-CD2 3.7Å
511	E	54.6	Low	68	Low	137 Å²	137	38.8 Å²	38.8	64%	0.64	19%	0.186	S	C	*	.	S	Bend	trans	-101.3	8.5	-176.4	-57.1	-171.3	156.6	0	0	113.6	E508 M513	E508-E511 PolarHBondContact O-N 3.4Å; E511-M513 PolarHBondContact O-N 3.49Å
512	E	53.1	Low	70.2	Confident	113 Å²	113	37.4 Å²	37.4	53%	0.528	18%	0.179	S	C	.	.	S	Bend	trans	57.8	-14	-175.2	-59	-161.7	160.6	0	0	116.8
513	M	53.2	Low	72.1	Confident	147 Å²	147	36.9 Å²	36.9	72%	0.724	18%	0.175	S	C	*	.			trans	-99.9	94.7	174.1	-63.5	-168.1	-62.7	0	0	111.4	E511	E511-M513 PolarHBondContact O-N 3.49Å
514	Y	63.8	Low	73.9	Confident	47 Å²	47	35.5 Å²	35.5	18%	0.184	17%	0.169	C	C	.	.			trans	-131.4	154	179.7	57.6	-91.8	0	0	0	112.7	I461 R463 N491 V518	I461-Y514 HydrophobicContact CD1-CD2 4.35Å; R463-Y514 HydrophobicContact CG-CD2 4.4Å; R463-Y514 HydrophobicContact CG-CE2 3.72Å; R463-Y514 PolarHBondContact NE-OH 3.25Å; R463-Y514 PolarHBondContact NH1-OH 2.95Å; R463-Y514 PolarHBondContact NH2-OH 3.17Å; N491-Y514 PolarHBondContact OD1-OH 3.22Å; Y514-V518 HydrophobicContact CD2-CG2 4.46Å; Y514-V518 HydrophobicContact CG-CG1 4.4Å
515	D	80.5	Confident	75.6	Confident	38 Å²	38	35 Å²	35	20%	0.203	17%	0.167	C	C	.	.			trans	-126.2	-163.6	-176.1	55	47.8	0	0	0	111	S517 V518 R581	D515-S517 PolarHBondContact O-N 3.32Å; D515-S517 VanDerWaalsContact O-N 3.14Å; D515-S517 WeakPolarHBondContact OD1-CB 3.42Å; D515-S517 PolarHBondContact OD1-N 2.64Å; D515-S517 PolarHBondContact OD1-OG 3.38Å; D515-V518 WeakPolarHBondContact O-CG2 3.16Å; D515-R581 VanDerWaalsContact OD2-CD 3.25Å; D515-R581 WeakPolarHBondContact OD2-CD 3.41Å; D515-R581 IonicContact OD2-CZ 3.11Å; D515-R581 IonicContact OD2-NE 4Å; D515-R581 IonicContact OD2-NH1 3.23Å; D515-R581 PolarHBondContact OD2-NH1 2.74Å
516	E	87.4	Confident	77.1	Confident	71 Å²	71	34.4 Å²	34.4	33%	0.332	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.6	180	-60.9	86.3	175.4	0	0	114.3	H454 P459 I461 V518 D519	H454-E516 HydrophobicContact CB-CG 3.89Å; H454-E516 VanDerWaalsContact CD2-CG 3.47Å; H454-E516 WeakPolarHBondContact CD2-CG 3.39Å; P459-E516 WeakPolarHBondContact CB-OE1 3.2Å; I461-E516 HydrophobicContact CG1-CG 4.44Å; E516-V518 VanDerWaalsContact C-N 3.31Å; E516-V518 PolarHBondContact O-N 2.81Å; E516-D519 PolarHBondContact O-N 3.1Å
517	S	89.8	Confident	79	Confident	15 Å²	15	34.4 Å²	34.4	11%	0.105	16%	0.163	C	C	.	.	H	α-helix	trans	-73.1	-15.5	-175.5	73.6	0	0	0	0	114.6	D515 D519 V520 Y521 R581 R584	D515-S517 PolarHBondContact O-N 3.32Å; D515-S517 VanDerWaalsContact O-N 3.14Å; D515-S517 WeakPolarHBondContact OD1-CB 3.42Å; D515-S517 PolarHBondContact OD1-N 2.64Å; D515-S517 PolarHBondContact OD1-OG 3.38Å; S517-D519 VanDerWaalsContact C-N 3.28Å; S517-V520 WeakPolarHBondContact O-CB 3.33Å; S517-V520 PolarHBondContact O-N 2.93Å; S517-Y521 PolarHBondContact O-N 2.81Å; S517-Y521 VanDerWaalsContact O-N 3.07Å; S517-R581 VanDerWaalsContact OG-CB 3.31Å; S517-R581 WeakPolarHBondContact OG-CB 3.27Å; S517-R584 PolarHBondContact O-NH1 3.28Å; S517-R584 PolarHBondContact OG-NH1 3.42Å
518	V	88.9	Confident	80.7	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.018	16%	0.159	C	C	.	.	H	α-helix	trans	-65.1	-36.1	170.6	-59.7	0	0	0	0	111	I461 A506 E508 M509 Y514 D515 E516 V520 Y521 A522	I461-V518 HydrophobicContact CG2-CG2 3.56Å; A506-V518 HydrophobicContact CB-CB 4.43Å; A506-V518 HydrophobicContact CB-CG1 4.19Å; E508-V518 HydrophobicContact CG-CG1 4.46Å; E508-V518 VanDerWaalsContact OE1-CG1 3.3Å; E508-V518 WeakPolarHBondContact OE1-CG1 3.22Å; M509-V518 HydrophobicContact CB-CG1 4.29Å; Y514-V518 HydrophobicContact CD2-CG2 4.46Å; Y514-V518 HydrophobicContact CG-CG1 4.4Å; D515-V518 WeakPolarHBondContact O-CG2 3.16Å; E516-V518 VanDerWaalsContact C-N 3.31Å; E516-V518 PolarHBondContact O-N 2.81Å; V518-V520 VanDerWaalsContact C-N 3.31Å; V518-Y521 PolarHBondContact O-N 2.94Å; V518-A522 WeakPolarHBondContact O-CB 3.4Å; V518-A522 PolarHBondContact O-N 3.44Å
519	D	92.8	Very high	82.2	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-73.2	-28.1	178.5	-63.4	-22.4	0	0	0	111.2	L450 H454 H462 R463 E516 S517 F523	L450-D519 HydrophobicContact CD1-CB 4.18Å; L450-D519 HydrophobicContact CD2-CB 3.95Å; H454-D519 IonicContact CD2-OD2 2.82Å; H454-D519 IonicContact CE1-OD2 2.85Å; H454-D519 IonicContact NE2-OD2 3.64Å; H454-D519 PolarHBondContact NE2-OD2 3.42Å; H462-D519 WeakPolarHBondContact CA-OD1 2.98Å; H462-D519 WeakPolarHBondContact CB-OD1 3.47Å; H462-D519 PolarHBondContact N-OD1 3.18Å; H462-D519 VanDerWaalsContact N-OD1 3.14Å; H462-D519 PolarHBondContact N-OD2 3Å; R463-D519 PolarHBondContact N-OD1 2.66Å; E516-D519 PolarHBondContact O-N 3.1Å; S517-D519 VanDerWaalsContact C-N 3.28Å; D519-F523 WeakPolarHBondContact O-CB 3.46Å; D519-F523 PolarHBondContact O-N 2.97Å
520	V	95.1	Very high	84.1	Confident	5 Å²	5	32.8 Å²	32.8	3%	0.03	15%	0.154	C	C	.	.	H	α-helix	trans	-67.2	-48.3	171.4	171.1	0	0	0	0	110.9	S517 V518 A522 F523 G524 C576 R584 S585 V587 L590	S517-V520 WeakPolarHBondContact O-CB 3.33Å; S517-V520 PolarHBondContact O-N 2.93Å; V518-V520 VanDerWaalsContact C-N 3.31Å; V520-A522 VanDerWaalsContact C-N 3.34Å; V520-A522 PolarHBondContact O-N 2.92Å; V520-F523 WeakPolarHBondContact O-CB 3.33Å; V520-F523 PolarHBondContact O-N 3.38Å; V520-G524 PolarHBondContact O-N 2.99Å; V520-C576 HydrophobicContact CG1-CB 4.18Å; V520-R584 HydrophobicContact CG1-CB 4.18Å; V520-S585 WeakPolarHBondContact CG1-O 3.47Å; V520-V587 HydrophobicContact CG2-CG2 3.75Å; V520-L590 HydrophobicContact CG1-CD1 4.26Å
521	Y	94.8	Very high	86.1	Confident	4 Å²	4	30 Å²	30	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-59.2	-47.4	176.2	178.2	-84.7	0	0	0	111	M505 A506 S517 V518 F523 G524 M525 V550 C576 I577	M505-Y521 WeakPolarHBondContact O-CE1 3.36Å; A506-Y521 HydrophobicContact CB-CD1 3.81Å; A506-Y521 HydrophobicContact CB-CD2 4.23Å; A506-Y521 HydrophobicContact CB-CE1 4.4Å; A506-Y521 HydrophobicContact CB-CG 3.71Å; S517-Y521 PolarHBondContact O-N 2.81Å; S517-Y521 VanDerWaalsContact O-N 3.07Å; V518-Y521 PolarHBondContact O-N 2.94Å; Y521-F523 VanDerWaalsContact C-N 3.34Å; Y521-F523 PolarHBondContact O-N 3.47Å; Y521-G524 WeakPolarHBondContact O-CA 3.47Å; Y521-G524 PolarHBondContact O-N 3.45Å; Y521-G524 VanDerWaalsContact O-N 3.1Å; Y521-M525 HydrophobicContact CD1-CG 4.41Å; Y521-M525 HydrophobicContact CE1-CE 3.94Å; Y521-M525 HydrophobicContact CE1-CG 4.06Å; Y521-M525 HydrophobicContact CE2-CE 4.12Å; Y521-M525 PolarHBondContact O-N 3.2Å; Y521-M525 VanDerWaalsContact OH-CE 3.29Å; Y521-M525 WeakPolarHBondContact OH-CE 3.35Å; Y521-V550 WeakPolarHBondContact OH-CG1 3.43Å; Y521-C576 WeakPolarHBondContact CA-O 3.4Å; Y521-I577 HydrophobicContact CD2-CB 4.23Å; Y521-I577 HydrophobicContact CE2-CB 4.1Å
522	A	94.4	Very high	87.9	Confident	4 Å²	4	25 Å²	25	3%	0.033	13%	0.125	C	C	.	.	H	α-helix	trans	-64.9	-34.1	177.4	0	0	0	0	0	113.1	L465 V518 V520 M525 C526	L465-A522 HydrophobicContact CB-CB 3.86Å; L465-A522 HydrophobicContact CD2-CB 4.3Å; L465-A522 HydrophobicContact CG-CB 4.49Å; V518-A522 WeakPolarHBondContact O-CB 3.4Å; V518-A522 PolarHBondContact O-N 3.44Å; V520-A522 VanDerWaalsContact C-N 3.34Å; V520-A522 PolarHBondContact O-N 2.92Å; A522-M525 PolarHBondContact O-N 2.78Å; A522-C526 PolarHBondContact O-N 3.49Å; A522-C526 PolarHBondContact O-SG 3.19Å
523	F	97.2	Very high	89.7	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.8	-41.5	169.8	167.2	-97.1	0	0	0	111.7	C443 I446 L447 L450 L465 D519 V520 Y521 M525 C526 L527 L590 F596	C443-F523 HydrophobicContact CB-CE2 4.04Å; C443-F523 HydrophobicContact CB-CZ 4.05Å; I446-F523 HydrophobicContact CB-CD2 4.35Å; I446-F523 HydrophobicContact CB-CE2 4.37Å; I446-F523 HydrophobicContact CG2-CD2 3.81Å; I446-F523 HydrophobicContact CG2-CE2 4.33Å; L447-F523 HydrophobicContact CD1-CE1 4.18Å; L447-F523 HydrophobicContact CD1-CE2 4.25Å; L447-F523 HydrophobicContact CD1-CZ 3.69Å; L447-F523 HydrophobicContact CD2-CD1 3.98Å; L447-F523 HydrophobicContact CD2-CD2 4.18Å; L447-F523 HydrophobicContact CD2-CE1 3.81Å; L447-F523 HydrophobicContact CD2-CE2 4.02Å; L447-F523 HydrophobicContact CD2-CG 4.16Å; L447-F523 HydrophobicContact CD2-CZ 3.83Å; L447-F523 HydrophobicContact CG-CD2 4.31Å; L447-F523 HydrophobicContact CG-CE1 4.15Å; L447-F523 HydrophobicContact CG-CE2 3.74Å; L447-F523 HydrophobicContact CG-CZ 3.65Å; L450-F523 HydrophobicContact CD1-CB 4.24Å; L465-F523 HydrophobicContact CD2-CB 4.15Å; D519-F523 WeakPolarHBondContact O-CB 3.46Å; D519-F523 PolarHBondContact O-N 2.97Å; V520-F523 WeakPolarHBondContact O-CB 3.33Å; V520-F523 PolarHBondContact O-N 3.38Å; Y521-F523 VanDerWaalsContact C-N 3.34Å; Y521-F523 PolarHBondContact O-N 3.47Å; F523-M525 VanDerWaalsContact C-N 3.33Å; F523-M525 PolarHBondContact O-N 3.48Å; F523-C526 WeakPolarHBondContact O-CB 3.25Å; F523-C526 PolarHBondContact O-N 3Å; F523-L527 HydrophobicContact CE1-CD2 4.43Å; F523-L527 WeakPolarHBondContact O-CB 3.21Å; F523-L527 PolarHBondContact O-N 3.49Å; F523-L590 HydrophobicContact CD1-CD1 4.18Å; F523-L590 HydrophobicContact CE1-CD1 4.2Å; F523-F596 HydrophobicContact CZ-CZ 4.02Å
524	G	96.6	Very high	91.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-57.6	-43.3	173.1	0	0	0	0	0	112.6	V520 Y521 L527 L528	V520-G524 PolarHBondContact O-N 2.99Å; Y521-G524 WeakPolarHBondContact O-CA 3.47Å; Y521-G524 PolarHBondContact O-N 3.45Å; Y521-G524 VanDerWaalsContact O-N 3.1Å; G524-L527 PolarHBondContact O-N 3Å; G524-L528 WeakPolarHBondContact O-CB 3.47Å; G524-L528 PolarHBondContact O-N 3.14Å
525	M	95.5	Very high	92.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-68.8	-37.6	175.2	-66	-57.5	-177.9	0	0	113.1	F504 Y521 A522 F523 L527 L528 E529 P536 Y537 P556 I577	F504-M525 HydrophobicContact CD1-CB 3.64Å; F504-M525 HydrophobicContact CE1-CB 3.83Å; F504-M525 HydrophobicContact CG-CB 4.28Å; Y521-M525 HydrophobicContact CD1-CG 4.41Å; Y521-M525 HydrophobicContact CE1-CE 3.94Å; Y521-M525 HydrophobicContact CE1-CG 4.06Å; Y521-M525 HydrophobicContact CE2-CE 4.12Å; Y521-M525 PolarHBondContact O-N 3.2Å; Y521-M525 VanDerWaalsContact OH-CE 3.29Å; Y521-M525 WeakPolarHBondContact OH-CE 3.35Å; A522-M525 PolarHBondContact O-N 2.78Å; F523-M525 VanDerWaalsContact C-N 3.33Å; F523-M525 PolarHBondContact O-N 3.48Å; M525-L527 VanDerWaalsContact C-N 3.34Å; M525-L527 PolarHBondContact O-N 2.85Å; M525-L528 PolarHBondContact O-N 3.14Å; M525-L528 HydrophobicContact SD-CD2 4.14Å; M525-E529 PolarHBondContact O-N 2.82Å; M525-P536 HydrophobicContact CB-CG 4.3Å; M525-P536 HydrophobicContact SD-CB 4Å; M525-P536 HydrophobicContact SD-CG 4.3Å; M525-Y537 HydrophobicContact CE-CE2 3.83Å; M525-P556 HydrophobicContact CE-CG 4.05Å; M525-P556 HydrophobicContact SD-CG 4.11Å; M525-I577 HydrophobicContact CE-CB 4.13Å; M525-I577 HydrophobicContact CE-CD1 4.34Å; M525-I577 HydrophobicContact CE-CG2 3.88Å; M525-I577 HydrophobicContact CG-CG2 4.37Å; M525-I577 HydrophobicContact SD-CG2 4.11Å
526	C	96.7	Very high	93.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.3	-41.2	170.7	-66.5	0	0	0	0	112.3	K466 I470 A522 F523 M530	K466-C526 VanDerWaalsContact CA-SG 3.55Å; I470-C526 HydrophobicContact CD1-CB 4.43Å; A522-C526 PolarHBondContact O-N 3.49Å; A522-C526 PolarHBondContact O-SG 3.19Å; F523-C526 WeakPolarHBondContact O-CB 3.25Å; F523-C526 PolarHBondContact O-N 3Å; C526-M530 WeakPolarHBondContact O-CB 3.48Å; C526-M530 WeakPolarHBondContact O-CG 3.35Å; C526-M530 PolarHBondContact O-N 2.85Å
527	L	96.4	Very high	93.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.2	-40.8	177.1	177.6	56.4	0	0	0	111.2	L439 F523 G524 M525 M530 V531 I569 I572 I573 F596	L439-L527 HydrophobicContact CD1-CD1 4.12Å; L439-L527 HydrophobicContact CD2-CD1 4.3Å; L439-L527 HydrophobicContact CG-CD1 4.36Å; F523-L527 HydrophobicContact CE1-CD2 4.43Å; F523-L527 WeakPolarHBondContact O-CB 3.21Å; F523-L527 PolarHBondContact O-N 3.49Å; G524-L527 PolarHBondContact O-N 3Å; M525-L527 VanDerWaalsContact C-N 3.34Å; M525-L527 PolarHBondContact O-N 2.85Å; L527-M530 PolarHBondContact O-N 3.23Å; L527-V531 HydrophobicContact CD1-CG2 3.87Å; L527-V531 HydrophobicContact CG-CG2 4.49Å; L527-V531 WeakPolarHBondContact O-CB 3.29Å; L527-V531 WeakPolarHBondContact O-CG2 3.21Å; L527-V531 PolarHBondContact O-N 2.98Å; L527-V531 VanDerWaalsContact O-N 3.07Å; L527-I569 HydrophobicContact CD1-CG2 4.38Å; L527-I569 HydrophobicContact CG-CG2 4.43Å; L527-I572 HydrophobicContact CD2-CG2 3.73Å; L527-I573 HydrophobicContact CB-CG1 4.17Å; L527-I573 HydrophobicContact CD2-CD1 4.44Å; L527-I573 HydrophobicContact CD2-CG1 3.68Å; L527-I573 HydrophobicContact CG-CD1 3.99Å; L527-I573 HydrophobicContact CG-CG1 3.68Å; L527-F596 HydrophobicContact CD2-CZ 4.42Å
528	L	95.5	Very high	93.6	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.8	-48.2	173.9	-178.4	60.7	0	0	0	112.3	G524 M525 M530 V531 T532 P536 P556 I562 I573	G524-L528 WeakPolarHBondContact O-CB 3.47Å; G524-L528 PolarHBondContact O-N 3.14Å; M525-L528 PolarHBondContact O-N 3.14Å; M525-L528 HydrophobicContact SD-CD2 4.14Å; L528-M530 VanDerWaalsContact C-N 3.33Å; L528-M530 PolarHBondContact O-N 3.24Å; L528-V531 PolarHBondContact O-N 3.13Å; L528-T532 HydrophobicContact CD1-CG2 3.84Å; L528-T532 WeakPolarHBondContact O-CG2 3.23Å; L528-T532 PolarHBondContact O-N 3.35Å; L528-T532 PolarHBondContact O-OG1 2.99Å; L528-P536 HydrophobicContact CD2-CB 4.49Å; L528-P536 HydrophobicContact CD2-CG 4.42Å; L528-P556 HydrophobicContact CD2-CB 4.05Å; L528-P556 HydrophobicContact CD2-CG 3.81Å; L528-I562 HydrophobicContact CD1-CD1 3.94Å; L528-I562 HydrophobicContact CD1-CG1 3.91Å; L528-I573 HydrophobicContact CB-CD1 4.17Å; L528-I573 HydrophobicContact CB-CG2 4.38Å; L528-I573 HydrophobicContact CD1-CD1 4.24Å
529	E	95	Very high	93.7	Very high	13 Å²	13	19.8 Å²	19.8	6%	0.061	11%	0.114	C	C	.	.	H	α-helix	trans	-60.6	-41.3	176	-165.2	-168.5	164.3	0	0	111.5	L428 C467 F504 M525 V531 G533 P536	L428-E529 HydrophobicContact CD1-CG 4.02Å; C467-E529 WeakPolarHBondContact CB-OE2 3.39Å; C467-E529 PolarHBondContact SG-OE2 3.46Å; F504-E529 WeakPolarHBondContact CZ-OE2 3.22Å; M525-E529 PolarHBondContact O-N 2.82Å; E529-V531 VanDerWaalsContact C-N 3.33Å; E529-V531 PolarHBondContact O-N 3.4Å; E529-G533 VanDerWaalsContact O-CA 3.31Å; E529-G533 WeakPolarHBondContact O-CA 3.1Å; E529-G533 PolarHBondContact O-N 2.98Å; E529-P536 HydrophobicContact CB-CG 4.44Å
530	M	93.7	Very high	93.5	Very high	5 Å²	5	20.6 Å²	20.6	3%	0.025	12%	0.119	C	C	.	.	H	α-helix	trans	-65.9	-30.4	178.3	-82.8	-168.1	-75.6	0	0	114.6	L424 L428 I434 L439 C443 I446 C526 L527 L528	L424-M530 HydrophobicContact CD1-CG 3.93Å; L424-M530 HydrophobicContact CD1-SD 3.83Å; L424-M530 HydrophobicContact CD2-CE 4.15Å; L424-M530 HydrophobicContact CD2-CG 3.81Å; L424-M530 HydrophobicContact CD2-SD 3.54Å; L424-M530 VanDerWaalsContact CD2-SD 3.54Å; L424-M530 HydrophobicContact CG-CG 4.11Å; L424-M530 HydrophobicContact CG-SD 4.21Å; L428-M530 HydrophobicContact CD1-CG 4.21Å; I434-M530 HydrophobicContact CD1-CB 4.02Å; I434-M530 HydrophobicContact CD1-CG 3.81Å; I434-M530 HydrophobicContact CD1-SD 4.15Å; L439-M530 HydrophobicContact CD1-CB 3.55Å; L439-M530 HydrophobicContact CD1-CE 4.13Å; L439-M530 HydrophobicContact CD1-CG 4.22Å; L439-M530 HydrophobicContact CD1-SD 3.7Å; C443-M530 WeakPolarHBondContact SG-CE 3.06Å; I446-M530 HydrophobicContact CD1-CE 4.28Å; C526-M530 WeakPolarHBondContact O-CB 3.48Å; C526-M530 WeakPolarHBondContact O-CG 3.35Å; C526-M530 PolarHBondContact O-N 2.85Å; L527-M530 PolarHBondContact O-N 3.23Å; L528-M530 VanDerWaalsContact C-N 3.33Å; L528-M530 PolarHBondContact O-N 3.24Å
531	V	93.6	Very high	93	Very high	29 Å²	29	29.2 Å²	29.2	18%	0.176	16%	0.162	C	C	.	.	H	α-helix	trans	-89.1	-39.6	-174.2	169.1	0	0	0	0	111.6	L439 L527 L528 E529 I562 I569	L439-V531 HydrophobicContact CD1-CG2 4.41Å; L439-V531 HydrophobicContact CD2-CG2 3.63Å; L527-V531 HydrophobicContact CD1-CG2 3.87Å; L527-V531 HydrophobicContact CG-CG2 4.49Å; L527-V531 WeakPolarHBondContact O-CB 3.29Å; L527-V531 WeakPolarHBondContact O-CG2 3.21Å; L527-V531 PolarHBondContact O-N 2.98Å; L527-V531 VanDerWaalsContact O-N 3.07Å; L528-V531 PolarHBondContact O-N 3.13Å; E529-V531 VanDerWaalsContact C-N 3.33Å; E529-V531 PolarHBondContact O-N 3.4Å; V531-I562 HydrophobicContact CG1-CG2 4.14Å; V531-I569 HydrophobicContact CB-CG2 4.49Å; V531-I569 HydrophobicContact CG1-CG2 4.23Å; V531-I569 HydrophobicContact CG2-CD1 4.37Å; V531-I569 HydrophobicContact CG2-CG2 3.67Å
532	T	91.5	Very high	92.2	Very high	30 Å²	30	32.4 Å²	32.4	18%	0.184	18%	0.179	C	C	.	.	H	α-helix	trans	-85.5	-32.5	179.4	61.7	0	0	0	0	112.1	L528 E534 C558	L528-T532 HydrophobicContact CD1-CG2 3.84Å; L528-T532 WeakPolarHBondContact O-CG2 3.23Å; L528-T532 PolarHBondContact O-N 3.35Å; L528-T532 PolarHBondContact O-OG1 2.99Å; T532-E534 PolarHBondContact OG1-N 3.28Å; T532-E534 PolarHBondContact OG1-O 3.42Å; T532-C558 HydrophobicContact CG2-CB 4.12Å; T532-C558 WeakPolarHBondContact CG2-O 3.47Å
533	G	90.9	Very high	91.5	Very high	41 Å²	41	35 Å²	35	42%	0.423	20%	0.196	S	C	.	.	S	Bend	trans	72.8	9.8	-164.4	0	0	0	0	0	113.2	E529	E529-G533 VanDerWaalsContact O-CA 3.31Å; E529-G533 WeakPolarHBondContact O-CA 3.1Å; E529-G533 PolarHBondContact O-N 2.98Å
534	E	90.9	Very high	90.5	Very high	66 Å²	66	37.5 Å²	37.5	31%	0.308	22%	0.216	S	C	.	.	S	Bend	trans	-115.3	143.6	-178.1	-60.5	-174.2	149.8	0	0	110.2	T532 C558 R561	T532-E534 PolarHBondContact OG1-N 3.28Å; T532-E534 PolarHBondContact OG1-O 3.42Å; E534-C558 HydrophobicContact CB-CB 4.27Å; E534-R561 IonicContact OE1-NH1 2.71Å; E534-R561 PolarHBondContact OE1-NH1 3.46Å; E534-R561 WeakPolarHBondContact OE2-CD 3.37Å; E534-R561 IonicContact OE2-CZ 3.04Å; E534-R561 IonicContact OE2-NE 3.02Å; E534-R561 IonicContact OE2-NH1 2.8Å; E534-R561 PolarHBondContact OE2-NH1 2.85Å
535	Y	90.2	Very high	90.1	Very high	73 Å²	73	39.2 Å²	39.2	29%	0.286	23%	0.227	S	C	.	.			trans	-74.4	130.6	-178.4	-168	-105.1	0	0	0	110.3	T501 E503 F504 S538	T501-Y535 WeakPolarHBondContact CG2-OH 3.41Å; E503-Y535 HydrophobicContact CB-CE1 4.16Å; E503-Y535 HydrophobicContact CG-CD1 4.38Å; E503-Y535 HydrophobicContact CG-CE1 3.63Å; E503-Y535 PolarHBondContact OE2-OH 3.34Å; F504-Y535 HydrophobicContact CE2-CD2 4.3Å; F504-Y535 AromaticContact CE2-CE2 3.6Å; F504-Y535 HydrophobicContact CE2-CE2 3.6Å; F504-Y535 AromaticContact CE2-CZ 3.76Å; F504-Y535 HydrophobicContact CZ-CE2 4.18Å; Y535-S538 VanDerWaalsContact O-CB 3.23Å; Y535-S538 WeakPolarHBondContact O-CB 3.32Å; Y535-S538 PolarHBondContact O-N 3.48Å; Y535-S538 PolarHBondContact O-OG 2.72Å
536	P	92.6	Very high	89.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	141.4	177.9	-26.8	35.4	0	0	0	112.3	E503 F504 M525 L528 E529 S538 P556	E503-P536 WeakPolarHBondContact CG-O 3.45Å; F504-P536 HydrophobicContact CE2-CG 4.39Å; F504-P536 HydrophobicContact CZ-CG 4.08Å; M525-P536 HydrophobicContact CB-CG 4.3Å; M525-P536 HydrophobicContact SD-CB 4Å; M525-P536 HydrophobicContact SD-CG 4.3Å; L528-P536 HydrophobicContact CD2-CB 4.49Å; L528-P536 HydrophobicContact CD2-CG 4.42Å; E529-P536 HydrophobicContact CB-CG 4.44Å; P536-S538 PolarHBondContact O-N 3.47Å; P536-S538 VanDerWaalsContact O-N 3.13Å; P536-P556 HydrophobicContact CB-CG 4.31Å
537	Y	92.7	Very high	88.8	Confident	8 Å²	8	44 Å²	44	3%	0.031	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	23.6	-176.7	-59.4	-69.6	0	0	0	115.7	E503 M525 E539 C540 I546 K549 V550 V554 P556	E503-Y537 HydrophobicContact CB-CD2 4.16Å; M525-Y537 HydrophobicContact CE-CE2 3.83Å; Y537-E539 VanDerWaalsContact CA-OE2 3.22Å; Y537-E539 WeakPolarHBondContact CA-OE2 3.46Å; Y537-E539 PolarHBondContact O-N 3.05Å; Y537-C540 VanDerWaalsContact O-CB 3.26Å; Y537-C540 WeakPolarHBondContact O-CB 3.44Å; Y537-C540 PolarHBondContact O-N 2.84Å; Y537-I546 HydrophobicContact CD2-CG2 3.87Å; Y537-I546 HydrophobicContact CE2-CG2 4.35Å; Y537-I546 HydrophobicContact CG-CG2 4.11Å; Y537-K549 HydrophobicContact CD1-CD 3.98Å; Y537-K549 HydrophobicContact CE1-CB 4.09Å; Y537-K549 HydrophobicContact CE1-CD 4.05Å; Y537-V550 HydrophobicContact CE2-CG2 3.6Å; Y537-V550 WeakPolarHBondContact OH-CG2 2.96Å; Y537-V554 WeakPolarHBondContact CE1-O 3.46Å; Y537-V554 PolarHBondContact OH-O 3.12Å; Y537-P556 HydrophobicContact CD1-CB 4.07Å; Y537-P556 HydrophobicContact CD1-CG 4Å; Y537-P556 HydrophobicContact CD2-CG 4Å; Y537-P556 HydrophobicContact CE1-CB 4.15Å; Y537-P556 HydrophobicContact CE1-CG 3.72Å; Y537-P556 HydrophobicContact CE2-CG 3.75Å; Y537-P556 HydrophobicContact CG-CB 4.34Å; Y537-P556 HydrophobicContact CG-CG 4.14Å
538	S	91.1	Very high	88.2	Confident	76 Å²	76	50.8 Å²	50.8	53%	0.531	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.8	178.4	45.1	0	0	0	0	114.7	Y535 P536 C540	Y535-S538 VanDerWaalsContact O-CB 3.23Å; Y535-S538 WeakPolarHBondContact O-CB 3.32Å; Y535-S538 PolarHBondContact O-N 3.48Å; Y535-S538 PolarHBondContact O-OG 2.72Å; P536-S538 PolarHBondContact O-N 3.47Å; P536-S538 VanDerWaalsContact O-N 3.13Å; S538-C540 PolarHBondContact O-N 3.11Å
539	E	90.6	Very high	88	Confident	62 Å²	62	53 Å²	53	29%	0.29	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-5.5	168.2	75.9	-75.3	177.9	0	0	114.1	Y537 K549 E557	Y537-E539 VanDerWaalsContact CA-OE2 3.22Å; Y537-E539 WeakPolarHBondContact CA-OE2 3.46Å; Y537-E539 PolarHBondContact O-N 3.05Å; E539-K549 IonicContact OE1-NZ 4Å; E539-K549 PolarHBondContact OE1-NZ 3.34Å; E539-E557 HydrophobicContact CG-CB 4.15Å; E539-E557 PolarHBondContact OE1-N 3.36Å
540	C	88.2	Confident	87.6	Confident	17 Å²	17	52.8 Å²	52.8	12%	0.115	28%	0.28	C	S	.	.			trans	-104.9	113.2	-176.1	-58.5	0	0	0	0	112.4	Y537 S538 N542 T545 I546	Y537-C540 VanDerWaalsContact O-CB 3.26Å; Y537-C540 WeakPolarHBondContact O-CB 3.44Å; Y537-C540 PolarHBondContact O-N 2.84Å; S538-C540 PolarHBondContact O-N 3.11Å; C540-N542 PolarHBondContact O-N 2.71Å; C540-N542 VanDerWaalsContact O-N 3.14Å; C540-T545 HydrophobicContact CB-CG2 4.14Å; C540-I546 HydrophobicContact CB-CD1 4.22Å; C540-I546 HydrophobicContact CB-CG1 3.49Å; C540-I546 VanDerWaalsContact CB-CG1 3.49Å
541	M	84.8	Confident	87.1	Confident	186 Å²	186	56.3 Å²	56.3	92%	0.916	30%	0.298	S	S	*	.	S	Bend	trans	-67.3	-12	-178.6	-60.7	179.9	75.5	0	0	115.6
542	N	79.1	Confident	86.8	Confident	71 Å²	71	58.7 Å²	58.7	38%	0.38	32%	0.316	S	S	.	.	S	Bend	trans	-154.3	154.7	-177.8	69.3	74.8	0	0	0	114.1	C540 A544 T545 I546	C540-N542 PolarHBondContact O-N 2.71Å; C540-N542 VanDerWaalsContact O-N 3.14Å; N542-A544 VanDerWaalsContact C-N 3.28Å; N542-A544 PolarHBondContact O-N 3.49Å; N542-A544 WeakPolarHBondContact OD1-CB 3.4Å; N542-A544 PolarHBondContact OD1-N 3.05Å; N542-T545 PolarHBondContact ND2-OG1 3.21Å; N542-T545 PolarHBondContact O-N 3.18Å; N542-T545 PolarHBondContact OD1-N 3.46Å; N542-T545 PolarHBondContact OD1-OG1 2.82Å; N542-I546 PolarHBondContact O-N 3.12Å
543	P	78.9	Confident	86.6	Confident	59 Å²	59	58.8 Å²	58.8	38%	0.383	32%	0.323	S	S	.	.	H	α-helix	trans	-53.9	-34.2	178.3	-30.6	37.2	0	0	0	115.6	P502 I546 Y547	P502-P543 HydrophobicContact CB-CB 4.23Å; P502-P543 HydrophobicContact CG-CB 3.89Å; P502-P543 HydrophobicContact CG-CG 4.05Å; P543-I546 PolarHBondContact O-N 2.93Å; P543-Y547 WeakPolarHBondContact O-CB 3.11Å; P543-Y547 PolarHBondContact O-N 2.74Å
544	A	76.4	Confident	86.6	Confident	52 Å²	52	60.1 Å²	60.1	43%	0.43	32%	0.323	S	S	.	.	H	α-helix	trans	-72.3	-31.6	-177.5	0	0	0	0	0	112.2	N542 R548	N542-A544 VanDerWaalsContact C-N 3.28Å; N542-A544 PolarHBondContact O-N 3.49Å; N542-A544 WeakPolarHBondContact OD1-CB 3.4Å; N542-A544 PolarHBondContact OD1-N 3.05Å; A544-R548 VanDerWaalsContact C-NH1 3.26Å; A544-R548 WeakPolarHBondContact O-CG 3.35Å; A544-R548 PolarHBondContact O-N 3.26Å; A544-R548 VanDerWaalsContact O-N 3.1Å; A544-R548 PolarHBondContact O-NH1 3.05Å
545	T	87.6	Confident	86.8	Confident	36 Å²	36	60.6 Å²	60.6	22%	0.221	32%	0.324	C	S	.	.	H	α-helix	trans	-69.1	-38.8	172.1	-61.8	0	0	0	0	111.5	C540 N542 R548 K549	C540-T545 HydrophobicContact CB-CG2 4.14Å; N542-T545 PolarHBondContact ND2-OG1 3.21Å; N542-T545 PolarHBondContact O-N 3.18Å; N542-T545 PolarHBondContact OD1-N 3.46Å; N542-T545 PolarHBondContact OD1-OG1 2.82Å; T545-R548 PolarHBondContact O-N 3.2Å; T545-R548 PolarHBondContact OG1-NH2 3.39Å; T545-K549 PolarHBondContact O-N 3.12Å; T545-K549 VanDerWaalsContact O-N 3.12Å
546	I	85.4	Confident	86.9	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-61.5	-51.2	173.5	-61.5	157.4	0	0	0	109.9	P502 E503 Y537 C540 N542 P543 R548 K549 V550	P502-I546 HydrophobicContact CB-CG2 4.45Å; P502-I546 HydrophobicContact CG-CD1 4.16Å; E503-I546 HydrophobicContact CG-CD1 3.7Å; E503-I546 HydrophobicContact CG-CG1 4.49Å; E503-I546 WeakPolarHBondContact OE1-CD1 3.38Å; Y537-I546 HydrophobicContact CD2-CG2 3.87Å; Y537-I546 HydrophobicContact CE2-CG2 4.35Å; Y537-I546 HydrophobicContact CG-CG2 4.11Å; C540-I546 HydrophobicContact CB-CD1 4.22Å; C540-I546 HydrophobicContact CB-CG1 3.49Å; C540-I546 VanDerWaalsContact CB-CG1 3.49Å; N542-I546 PolarHBondContact O-N 3.12Å; P543-I546 PolarHBondContact O-N 2.93Å; I546-R548 PolarHBondContact O-N 3.14Å; I546-K549 WeakPolarHBondContact O-CB 3.36Å; I546-K549 PolarHBondContact O-N 3.28Å; I546-K549 VanDerWaalsContact O-N 3.12Å; I546-V550 HydrophobicContact CG2-CG2 4.12Å; I546-V550 WeakPolarHBondContact O-CG2 3.45Å; I546-V550 PolarHBondContact O-N 3.05Å
547	Y	79.2	Confident	86.9	Confident	99 Å²	99	61.6 Å²	61.6	39%	0.388	33%	0.332	S	S	.	.	H	α-helix	trans	-52.8	-47.4	177	177.7	-97.5	0	0	0	113	Y510 P543 V550 I551	Y510-Y547 HydrophobicContact CD1-CD2 4.05Å; Y510-Y547 AromaticContact CD1-CE2 3.77Å; Y510-Y547 HydrophobicContact CD1-CE2 3.77Å; Y510-Y547 HydrophobicContact CD2-CD2 4.01Å; Y510-Y547 AromaticContact CD2-CE2 3.82Å; Y510-Y547 HydrophobicContact CD2-CE2 3.82Å; Y510-Y547 AromaticContact CE1-CD2 3.83Å; Y510-Y547 HydrophobicContact CE1-CD2 3.83Å; Y510-Y547 HydrophobicContact CE1-CE2 4.06Å; Y510-Y547 AromaticContact CE2-CD2 3.8Å; Y510-Y547 HydrophobicContact CE2-CD2 3.8Å; Y510-Y547 HydrophobicContact CE2-CE2 4.11Å; Y510-Y547 HydrophobicContact CG-CD2 4.13Å; Y510-Y547 AromaticContact CG-CE2 3.64Å; Y510-Y547 HydrophobicContact CG-CE2 3.64Å; Y510-Y547 AromaticContact CZ-CD2 3.7Å; P543-Y547 WeakPolarHBondContact O-CB 3.11Å; P543-Y547 PolarHBondContact O-N 2.74Å; Y547-V550 PolarHBondContact O-N 3.32Å; Y547-I551 HydrophobicContact CD1-CD1 4.24Å; Y547-I551 HydrophobicContact CD2-CD1 4.11Å; Y547-I551 HydrophobicContact CE1-CD1 3.67Å; Y547-I551 HydrophobicContact CE2-CD1 3.53Å; Y547-I551 HydrophobicContact CG-CD1 4.44Å; Y547-I551 PolarHBondContact O-N 3.13Å; Y547-I551 VanDerWaalsContact O-N 3.12Å; Y547-I551 WeakPolarHBondContact OH-CD1 3.34Å
548	R	85.1	Confident	86.9	Confident	141 Å²	141	61.3 Å²	61.3	53%	0.532	33%	0.331	S	S	.	.	H	α-helix	trans	-60.4	-46.8	176.2	-72.7	-169.6	-53.1	-74.9	-1.1	112	A544 T545 I546 S552	A544-R548 VanDerWaalsContact C-NH1 3.26Å; A544-R548 WeakPolarHBondContact O-CG 3.35Å; A544-R548 PolarHBondContact O-N 3.26Å; A544-R548 VanDerWaalsContact O-N 3.1Å; A544-R548 PolarHBondContact O-NH1 3.05Å; T545-R548 PolarHBondContact O-N 3.2Å; T545-R548 PolarHBondContact OG1-NH2 3.39Å; I546-R548 PolarHBondContact O-N 3.14Å; R548-S552 WeakPolarHBondContact O-CB 3.21Å; R548-S552 PolarHBondContact O-N 2.99Å; R548-S552 PolarHBondContact O-OG 3.45Å
549	K	89.9	Confident	87.1	Confident	48 Å²	48	58.5 Å²	58.5	21%	0.209	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-47.3	177.4	-79.7	-166.9	178.6	-166.1	0	112.7	Y537 E539 T545 I546 I551 S552 G553 V554	Y537-K549 HydrophobicContact CD1-CD 3.98Å; Y537-K549 HydrophobicContact CE1-CB 4.09Å; Y537-K549 HydrophobicContact CE1-CD 4.05Å; E539-K549 IonicContact OE1-NZ 4Å; E539-K549 PolarHBondContact OE1-NZ 3.34Å; T545-K549 PolarHBondContact O-N 3.12Å; T545-K549 VanDerWaalsContact O-N 3.12Å; I546-K549 WeakPolarHBondContact O-CB 3.36Å; I546-K549 PolarHBondContact O-N 3.28Å; I546-K549 VanDerWaalsContact O-N 3.12Å; K549-I551 PolarHBondContact O-N 3.25Å; K549-S552 CarbonylContact O-C 3.57Å; K549-S552 PolarHBondContact O-N 2.85Å; K549-S552 PolarHBondContact O-OG 3.12Å; K549-G553 PolarHBondContact O-N 3.28Å; K549-G553 VanDerWaalsContact O-N 3.13Å; K549-V554 HydrophobicContact CB-CB 4.07Å; K549-V554 HydrophobicContact CB-CG1 4.35Å; K549-V554 HydrophobicContact CD-CG1 3.91Å; K549-V554 HydrophobicContact CG-CB 4.09Å; K549-V554 HydrophobicContact CG-CG1 3.93Å; K549-V554 PolarHBondContact O-N 3.49Å
550	V	86.7	Confident	87.2	Confident	7 Å²	7	59.8 Å²	59.8	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-61.2	-45.7	-177.5	170.6	0	0	0	0	111.1	P507 Y521 Y537 I546 Y547 G553	P507-V550 HydrophobicContact CB-CG1 4.08Å; P507-V550 HydrophobicContact CG-CG1 4.3Å; Y521-V550 WeakPolarHBondContact OH-CG1 3.43Å; Y537-V550 HydrophobicContact CE2-CG2 3.6Å; Y537-V550 WeakPolarHBondContact OH-CG2 2.96Å; I546-V550 HydrophobicContact CG2-CG2 4.12Å; I546-V550 WeakPolarHBondContact O-CG2 3.45Å; I546-V550 PolarHBondContact O-N 3.05Å; Y547-V550 PolarHBondContact O-N 3.32Å; V550-G553 PolarHBondContact O-N 3.16Å
551	I	84.4	Confident	87.3	Confident	79 Å²	79	64.8 Å²	64.8	41%	0.405	34%	0.341	S	S	.	.	H	α-helix	trans	-69.9	-37.6	177.6	-70.2	178.9	0	0	0	111.7	P507 Y547 K549 G553	P507-I551 HydrophobicContact CB-CG1 4.02Å; Y547-I551 HydrophobicContact CD1-CD1 4.24Å; Y547-I551 HydrophobicContact CD2-CD1 4.11Å; Y547-I551 HydrophobicContact CE1-CD1 3.67Å; Y547-I551 HydrophobicContact CE2-CD1 3.53Å; Y547-I551 HydrophobicContact CG-CD1 4.44Å; Y547-I551 PolarHBondContact O-N 3.13Å; Y547-I551 VanDerWaalsContact O-N 3.12Å; Y547-I551 WeakPolarHBondContact OH-CD1 3.34Å; K549-I551 PolarHBondContact O-N 3.25Å; I551-G553 PolarHBondContact O-N 3.29Å
552	S	86.5	Confident	87.6	Confident	79 Å²	79	56.6 Å²	56.6	55%	0.552	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	11.3	176.2	79.1	0	0	0	0	114.1	R548 K549 V554	R548-S552 WeakPolarHBondContact O-CB 3.21Å; R548-S552 PolarHBondContact O-N 2.99Å; R548-S552 PolarHBondContact O-OG 3.45Å; K549-S552 CarbonylContact O-C 3.57Å; K549-S552 PolarHBondContact O-N 2.85Å; K549-S552 PolarHBondContact O-OG 3.12Å; S552-V554 PolarHBondContact O-N 3.45Å; S552-V554 VanDerWaalsContact O-N 3.12Å; S552-V554 WeakPolarHBondContact OG-CG2 3.47Å
553	G	86.6	Confident	88	Confident	32 Å²	32	55.1 Å²	55.1	33%	0.33	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	11.4	179.8	0	0	0	0	0	116.1	K549 V550 I551 K555	K549-G553 PolarHBondContact O-N 3.28Å; K549-G553 VanDerWaalsContact O-N 3.13Å; V550-G553 PolarHBondContact O-N 3.16Å; I551-G553 PolarHBondContact O-N 3.29Å; G553-K555 PolarHBondContact O-N 2.88Å; G553-K555 VanDerWaalsContact O-N 3.14Å
554	V	91.7	Very high	88.3	Confident	70 Å²	70	56.9 Å²	56.9	42%	0.424	32%	0.315	S	S	.	.			trans	-78.2	101.2	179.2	174.1	0	0	0	0	108.7	Y537 K549 S552	Y537-V554 WeakPolarHBondContact CE1-O 3.46Å; Y537-V554 PolarHBondContact OH-O 3.12Å; K549-V554 HydrophobicContact CB-CB 4.07Å; K549-V554 HydrophobicContact CB-CG1 4.35Å; K549-V554 HydrophobicContact CD-CG1 3.91Å; K549-V554 HydrophobicContact CG-CB 4.09Å; K549-V554 HydrophobicContact CG-CG1 3.93Å; K549-V554 PolarHBondContact O-N 3.49Å; S552-V554 PolarHBondContact O-N 3.45Å; S552-V554 VanDerWaalsContact O-N 3.12Å; S552-V554 WeakPolarHBondContact OG-CG2 3.47Å
555	K	94.3	Very high	88.5	Confident	75 Å²	75	60.6 Å²	60.6	33%	0.326	32%	0.324	S	S	.	.			trans	-61.7	156.9	-180	-66.7	166.8	-177.8	167.8	0	111.9	G553 F559 D574 I577	G553-K555 PolarHBondContact O-N 2.88Å; G553-K555 VanDerWaalsContact O-N 3.14Å; K555-F559 HydrophobicContact CB-CB 4.35Å; K555-F559 HydrophobicContact CB-CD1 4.26Å; K555-F559 HydrophobicContact CB-CG 4.33Å; K555-F559 HydrophobicContact CD-CD1 4.04Å; K555-F559 HydrophobicContact CD-CE1 3.87Å; K555-F559 HydrophobicContact CD-CZ 4.23Å; K555-D574 VanDerWaalsContact NZ-CG 3.29Å; K555-D574 IonicContact NZ-OD1 3.99Å; K555-D574 PolarHBondContact NZ-OD1 3.2Å; K555-D574 IonicContact NZ-OD2 3.1Å; K555-D574 PolarHBondContact NZ-OD2 3.47Å; K555-I577 HydrophobicContact CB-CD1 4.4Å; K555-I577 HydrophobicContact CD-CD1 4.28Å; K555-I577 HydrophobicContact CG-CD1 3.96Å
556	P	93.4	Very high	88.2	Confident	4 Å²	4	62.4 Å²	62.4	3%	0.026	33%	0.327	C	S	.	.			trans	-56.3	147.8	177.6	-24.4	33.4	0	0	0	112.7	M525 L528 P536 Y537 C558 F559	M525-P556 HydrophobicContact CE-CG 4.05Å; M525-P556 HydrophobicContact SD-CG 4.11Å; L528-P556 HydrophobicContact CD2-CB 4.05Å; L528-P556 HydrophobicContact CD2-CG 3.81Å; P536-P556 HydrophobicContact CB-CG 4.31Å; Y537-P556 HydrophobicContact CD1-CB 4.07Å; Y537-P556 HydrophobicContact CD1-CG 4Å; Y537-P556 HydrophobicContact CD2-CG 4Å; Y537-P556 HydrophobicContact CE1-CB 4.15Å; Y537-P556 HydrophobicContact CE1-CG 3.72Å; Y537-P556 HydrophobicContact CE2-CG 3.75Å; Y537-P556 HydrophobicContact CG-CB 4.34Å; Y537-P556 HydrophobicContact CG-CG 4.14Å; P556-C558 PolarHBondContact O-N 3.39Å; P556-F559 WeakPolarHBondContact O-CB 3.49Å; P556-F559 PolarHBondContact O-N 3.1Å
557	E	92.8	Very high	88.2	Confident	91 Å²	91	66.2 Å²	66.2	43%	0.425	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-58.3	-38.2	177.9	-161.1	-158.9	126.4	0	0	111.9	E539 F559 S560 R561	E539-E557 HydrophobicContact CG-CB 4.15Å; E539-E557 PolarHBondContact OE1-N 3.36Å; E557-F559 PolarHBondContact O-N 3.16Å; E557-F559 VanDerWaalsContact O-N 3.12Å; E557-S560 WeakPolarHBondContact O-CB 3.5Å; E557-S560 PolarHBondContact O-N 3.31Å; E557-S560 PolarHBondContact O-OG 3.23Å; E557-R561 IonicContact OE1-CZ 3.29Å; E557-R561 IonicContact OE1-NE 2.82Å; E557-R561 PolarHBondContact OE1-NE 3.39Å; E557-R561 IonicContact OE1-NH2 2.89Å; E557-R561 PolarHBondContact OE1-NH2 3.23Å; E557-R561 IonicContact OE2-NH2 3.76Å
558	C	92.7	Very high	88.4	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.014	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-65.4	-12.8	178.3	65.2	0	0	0	0	114.4	T532 E534 P556 S560 R561	T532-C558 HydrophobicContact CG2-CB 4.12Å; T532-C558 WeakPolarHBondContact CG2-O 3.47Å; E534-C558 HydrophobicContact CB-CB 4.27Å; P556-C558 PolarHBondContact O-N 3.39Å; C558-S560 VanDerWaalsContact C-N 3.25Å; C558-S560 PolarHBondContact O-N 3.11Å; C558-R561 WeakPolarHBondContact O-CB 3.31Å; C558-R561 PolarHBondContact O-N 3.14Å
559	F	94.1	Very high	88.8	Confident	17 Å²	17	57 Å²	57	8%	0.075	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-63.3	-31.2	169.4	-178	-100.5	0	0	0	112.2	K555 P556 E557 R561 I562 R570 I573 D574 I577	K555-F559 HydrophobicContact CB-CB 4.35Å; K555-F559 HydrophobicContact CB-CD1 4.26Å; K555-F559 HydrophobicContact CB-CG 4.33Å; K555-F559 HydrophobicContact CD-CD1 4.04Å; K555-F559 HydrophobicContact CD-CE1 3.87Å; K555-F559 HydrophobicContact CD-CZ 4.23Å; P556-F559 WeakPolarHBondContact O-CB 3.49Å; P556-F559 PolarHBondContact O-N 3.1Å; E557-F559 PolarHBondContact O-N 3.16Å; E557-F559 VanDerWaalsContact O-N 3.12Å; F559-R561 VanDerWaalsContact C-N 3.26Å; F559-R561 PolarHBondContact O-N 3.39Å; F559-I562 HydrophobicContact CD2-CD1 3.66Å; F559-I562 HydrophobicContact CE2-CD1 3.96Å; F559-I562 HydrophobicContact CG-CD1 4.28Å; F559-I562 WeakPolarHBondContact O-CD1 3.36Å; F559-I562 WeakPolarHBondContact O-CG1 3.4Å; F559-R570 HydrophobicContact CE1-CG 4.46Å; F559-R570 HydrophobicContact CE2-CG 4.21Å; F559-R570 HydrophobicContact CZ-CG 3.89Å; F559-I573 HydrophobicContact CD2-CG2 3.87Å; F559-I573 HydrophobicContact CE2-CB 4.2Å; F559-I573 HydrophobicContact CE2-CG2 3.8Å; F559-D574 HydrophobicContact CE2-CB 4.39Å; F559-D574 HydrophobicContact CZ-CB 4.04Å; F559-D574 VanDerWaalsContact CZ-OD1 3.29Å; F559-D574 WeakPolarHBondContact CZ-OD1 3.48Å; F559-I577 HydrophobicContact CD2-CD1 4.06Å; F559-I577 HydrophobicContact CE2-CD1 4.29Å
560	S	92.3	Very high	88.9	Confident	89 Å²	89	61.2 Å²	61.2	62%	0.622	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-72.3	-20.5	172.8	70.9	0	0	0	0	113.3	E557 C558	E557-S560 WeakPolarHBondContact O-CB 3.5Å; E557-S560 PolarHBondContact O-N 3.31Å; E557-S560 PolarHBondContact O-OG 3.23Å; C558-S560 VanDerWaalsContact C-N 3.25Å; C558-S560 PolarHBondContact O-N 3.11Å
561	R	91.2	Very high	89.1	Confident	122 Å²	122	63.3 Å²	63.3	46%	0.46	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-91.8	2.1	-175.7	-54.6	178.3	-177.6	-170.3	-2.3	113.3	E534 E557 C558 F559	E534-R561 IonicContact OE1-NH1 2.71Å; E534-R561 PolarHBondContact OE1-NH1 3.46Å; E534-R561 WeakPolarHBondContact OE2-CD 3.37Å; E534-R561 IonicContact OE2-CZ 3.04Å; E534-R561 IonicContact OE2-NE 3.02Å; E534-R561 IonicContact OE2-NH1 2.8Å; E534-R561 PolarHBondContact OE2-NH1 2.85Å; E557-R561 IonicContact OE1-CZ 3.29Å; E557-R561 IonicContact OE1-NE 2.82Å; E557-R561 PolarHBondContact OE1-NE 3.39Å; E557-R561 IonicContact OE1-NH2 2.89Å; E557-R561 PolarHBondContact OE1-NH2 3.23Å; E557-R561 IonicContact OE2-NH2 3.76Å; C558-R561 WeakPolarHBondContact O-CB 3.31Å; C558-R561 PolarHBondContact O-N 3.14Å; F559-R561 VanDerWaalsContact C-N 3.26Å; F559-R561 PolarHBondContact O-N 3.39Å
562	I	91.4	Very high	89.5	Confident	14 Å²	14	59.6 Å²	59.6	7%	0.072	32%	0.323	C	S	.	.	S	Bend	trans	-58.7	126.4	173.6	-64.6	166.5	0	0	0	108.7	L528 V531 F559 A564 R570 I573	L528-I562 HydrophobicContact CD1-CD1 3.94Å; L528-I562 HydrophobicContact CD1-CG1 3.91Å; V531-I562 HydrophobicContact CG1-CG2 4.14Å; F559-I562 HydrophobicContact CD2-CD1 3.66Å; F559-I562 HydrophobicContact CE2-CD1 3.96Å; F559-I562 HydrophobicContact CG-CD1 4.28Å; F559-I562 WeakPolarHBondContact O-CD1 3.36Å; F559-I562 WeakPolarHBondContact O-CG1 3.4Å; I562-A564 PolarHBondContact O-N 3.18Å; I562-R570 HydrophobicContact CD1-CB 4.11Å; I562-R570 HydrophobicContact CD1-CG 4.03Å; I562-R570 HydrophobicContact CG2-CB 4.06Å; I562-I573 HydrophobicContact CD1-CD1 3.68Å; I562-I573 HydrophobicContact CG1-CD1 4.41Å
563	P	87.7	Confident	90	Very high	39 Å²	39	55.8 Å²	55.8	25%	0.253	30%	0.297	S	S	.	.			trans	-61.1	125.4	-173.5	-24.8	33.9	0	0	0	112.9	Q565 Y566	P563-Q565 VanDerWaalsContact CB-CD 3.46Å; P563-Q565 HydrophobicContact CB-CG 4.48Å; P563-Q565 VanDerWaalsContact CB-NE2 3.34Å; P563-Q565 PolarHBondContact O-N 3.29Å; P563-Y566 HydrophobicContact CB-CD2 4.44Å; P563-Y566 PolarHBondContact O-N 2.81Å
564	A	84.6	Confident	90.3	Very high	97 Å²	97	56.2 Å²	56.2	80%	0.802	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-14.1	-174.8	0	0	0	0	0	115	I562 Y566	I562-A564 PolarHBondContact O-N 3.18Å; A564-Y566 PolarHBondContact O-N 2.7Å
565	Q	80	Confident	90.4	Very high	130 Å²	130	54.2 Å²	54.2	61%	0.607	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-6.3	171.1	74.6	-95.9	10.3	0	0	114.9	P563	P563-Q565 VanDerWaalsContact CB-CD 3.46Å; P563-Q565 HydrophobicContact CB-CG 4.48Å; P563-Q565 VanDerWaalsContact CB-NE2 3.34Å; P563-Q565 PolarHBondContact O-N 3.29Å
566	Y	82.7	Confident	90.5	Very high	73 Å²	73	50.7 Å²	50.7	29%	0.286	26%	0.261	S	S	.	.			trans	-129.6	60.7	179.9	-56.3	-52.1	0	0	0	112.1	I436 P563 A564 E568 I569	I436-Y566 HydrophobicContact CD1-CE1 4.33Å; I436-Y566 HydrophobicContact CG1-CE1 4.14Å; P563-Y566 HydrophobicContact CB-CD2 4.44Å; P563-Y566 PolarHBondContact O-N 2.81Å; A564-Y566 PolarHBondContact O-N 2.7Å; Y566-E568 VanDerWaalsContact CA-OE2 3.28Å; Y566-E568 WeakPolarHBondContact CA-OE2 3.4Å; Y566-E568 PolarHBondContact O-N 3.2Å; Y566-I569 HydrophobicContact CD2-CD1 4.12Å; Y566-I569 HydrophobicContact CG-CD1 3.89Å; Y566-I569 WeakPolarHBondContact O-CB 3.47Å; Y566-I569 PolarHBondContact O-N 2.8Å; Y566-I569 VanDerWaalsContact O-N 3.15Å
567	P	83.9	Confident	90.5	Very high	83 Å²	83	51 Å²	51	54%	0.539	26%	0.262	S	S	.	.	H	α-helix	trans	-59.7	-30.5	-179	27.3	-35.4	0	0	0	112.6	I569 R570 E571	P567-I569 VanDerWaalsContact C-N 3.28Å; P567-I569 PolarHBondContact O-N 2.88Å; P567-R570 WeakPolarHBondContact O-CB 3.33Å; P567-R570 PolarHBondContact O-N 3.44Å; P567-R570 VanDerWaalsContact O-N 3.13Å; P567-E571 PolarHBondContact O-N 2.81Å
568	E	85.3	Confident	90.5	Very high	44 Å²	44	48.9 Å²	48.9	21%	0.206	25%	0.25	C	S	.	.	H	α-helix	trans	-66.5	-29.9	179.5	77.1	-82.9	-146.4	0	0	112.5	Y566 E571 I572 F595 R605	Y566-E568 VanDerWaalsContact CA-OE2 3.28Å; Y566-E568 WeakPolarHBondContact CA-OE2 3.4Å; Y566-E568 PolarHBondContact O-N 3.2Å; E568-E571 PolarHBondContact O-N 2.98Å; E568-I572 WeakPolarHBondContact O-CB 3.47Å; E568-I572 WeakPolarHBondContact O-CD1 3.5Å; E568-I572 WeakPolarHBondContact O-CG1 3.37Å; E568-I572 PolarHBondContact O-N 3.1Å; E568-F595 HydrophobicContact CG-CB 4.27Å; E568-F595 HydrophobicContact CG-CD2 3.36Å; E568-F595 HydrophobicContact CG-CE2 4.01Å; E568-F595 HydrophobicContact CG-CG 4.1Å; E568-R605 IonicContact OE1-NH2 2.72Å
569	I	91.9	Very high	90.2	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-68.1	-42.1	173.3	-63.1	-178.7	0	0	0	110.4	I436 L439 L527 V531 Y566 P567 E571 I572 I573 F595	I436-I569 HydrophobicContact CD1-CD1 3.81Å; L439-I569 HydrophobicContact CD2-CD1 4.01Å; L527-I569 HydrophobicContact CD1-CG2 4.38Å; L527-I569 HydrophobicContact CG-CG2 4.43Å; V531-I569 HydrophobicContact CB-CG2 4.49Å; V531-I569 HydrophobicContact CG1-CG2 4.23Å; V531-I569 HydrophobicContact CG2-CD1 4.37Å; V531-I569 HydrophobicContact CG2-CG2 3.67Å; Y566-I569 HydrophobicContact CD2-CD1 4.12Å; Y566-I569 HydrophobicContact CG-CD1 3.89Å; Y566-I569 WeakPolarHBondContact O-CB 3.47Å; Y566-I569 PolarHBondContact O-N 2.8Å; Y566-I569 VanDerWaalsContact O-N 3.15Å; P567-I569 VanDerWaalsContact C-N 3.28Å; P567-I569 PolarHBondContact O-N 2.88Å; I569-E571 VanDerWaalsContact C-N 3.33Å; I569-I572 PolarHBondContact O-N 3.44Å; I569-I573 HydrophobicContact CG2-CD1 3.83Å; I569-I573 HydrophobicContact CG2-CG1 4.44Å; I569-I573 VanDerWaalsContact O-CG1 3.31Å; I569-I573 WeakPolarHBondContact O-CG1 3.49Å; I569-I573 PolarHBondContact O-N 3.14Å; I569-F595 HydrophobicContact CD1-CE2 3.78Å; I569-F595 HydrophobicContact CD1-CZ 3.52Å; I569-F595 HydrophobicContact CG1-CD2 4.24Å; I569-F595 HydrophobicContact CG1-CE1 4.1Å; I569-F595 HydrophobicContact CG1-CE2 3.41Å; I569-F595 VanDerWaalsContact CG1-CE2 3.41Å; I569-F595 HydrophobicContact CG1-CZ 3.35Å
570	R	92.1	Very high	89.7	Confident	137 Å²	137	55.7 Å²	55.7	52%	0.517	28%	0.282	S	S	.	.	H	α-helix	trans	-62.1	-43.3	177.1	-176.1	177.9	177.6	-152.3	-1.8	110.7	F559 I562 P567 I573 D574	F559-R570 HydrophobicContact CE1-CG 4.46Å; F559-R570 HydrophobicContact CE2-CG 4.21Å; F559-R570 HydrophobicContact CZ-CG 3.89Å; I562-R570 HydrophobicContact CD1-CB 4.11Å; I562-R570 HydrophobicContact CD1-CG 4.03Å; I562-R570 HydrophobicContact CG2-CB 4.06Å; P567-R570 WeakPolarHBondContact O-CB 3.33Å; P567-R570 PolarHBondContact O-N 3.44Å; P567-R570 VanDerWaalsContact O-N 3.13Å; R570-I573 PolarHBondContact O-N 3.06Å; R570-D574 WeakPolarHBondContact O-CB 3.28Å; R570-D574 PolarHBondContact O-N 3.45Å
571	E	91.1	Very high	89.4	Confident	51 Å²	51	56.2 Å²	56.2	24%	0.238	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-47.5	176.1	-148.6	-153	115.2	0	0	111.7	P567 E568 I569 I573 D574 R575 R611	P567-E571 PolarHBondContact O-N 2.81Å; E568-E571 PolarHBondContact O-N 2.98Å; I569-E571 VanDerWaalsContact C-N 3.33Å; E571-I573 PolarHBondContact O-N 3.41Å; E571-D574 WeakPolarHBondContact O-CB 3.38Å; E571-D574 PolarHBondContact O-N 2.79Å; E571-R575 WeakPolarHBondContact O-CG 3.24Å; E571-R575 PolarHBondContact O-N 3.2Å; E571-R575 IonicContact OE1-CZ 2.75Å; E571-R575 IonicContact OE1-NH1 3.38Å; E571-R575 PolarHBondContact OE1-NH1 3.48Å; E571-R611 IonicContact OE1-CZ 2.69Å; E571-R611 IonicContact OE1-NH2 2.66Å; E571-R611 PolarHBondContact OE1-NH2 3.03Å; E571-R611 IonicContact OE2-CZ 3.35Å; E571-R611 IonicContact OE2-NE 3.22Å; E571-R611 PolarHBondContact OE2-NE 2.99Å; E571-R611 IonicContact OE2-NH2 2.61Å; E571-R611 PolarHBondContact OE2-NH2 3.17Å
572	I	93.8	Very high	89.2	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-45.4	177.7	-71.1	162.1	0	0	0	111.6	L527 E568 I569 D574 C576 L590 F595 F596	L527-I572 HydrophobicContact CD2-CG2 3.73Å; E568-I572 WeakPolarHBondContact O-CB 3.47Å; E568-I572 WeakPolarHBondContact O-CD1 3.5Å; E568-I572 WeakPolarHBondContact O-CG1 3.37Å; E568-I572 PolarHBondContact O-N 3.1Å; I569-I572 PolarHBondContact O-N 3.44Å; I572-D574 VanDerWaalsContact C-N 3.34Å; I572-C576 PolarHBondContact O-N 2.86Å; I572-C576 PolarHBondContact O-SG 3.38Å; I572-L590 HydrophobicContact CG2-CD2 4.19Å; I572-F595 HydrophobicContact CD1-CB 3.48Å; I572-F595 VanDerWaalsContact CD1-CB 3.48Å; I572-F595 HydrophobicContact CD1-CD1 3.73Å; I572-F595 HydrophobicContact CD1-CG 3.73Å; I572-F596 HydrophobicContact CD1-CE2 3.96Å; I572-F596 HydrophobicContact CD1-CZ 4.37Å; I572-F596 HydrophobicContact CG2-CE2 3.86Å; I572-F596 HydrophobicContact CG2-CZ 4.13Å
573	I	95.8	Very high	89	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-46	175.8	-66.7	164.9	0	0	0	109.7	L527 L528 F559 I562 I569 R570 E571 R575 C576 I577	L527-I573 HydrophobicContact CB-CG1 4.17Å; L527-I573 HydrophobicContact CD2-CD1 4.44Å; L527-I573 HydrophobicContact CD2-CG1 3.68Å; L527-I573 HydrophobicContact CG-CD1 3.99Å; L527-I573 HydrophobicContact CG-CG1 3.68Å; L528-I573 HydrophobicContact CB-CD1 4.17Å; L528-I573 HydrophobicContact CB-CG2 4.38Å; L528-I573 HydrophobicContact CD1-CD1 4.24Å; F559-I573 HydrophobicContact CD2-CG2 3.87Å; F559-I573 HydrophobicContact CE2-CB 4.2Å; F559-I573 HydrophobicContact CE2-CG2 3.8Å; I562-I573 HydrophobicContact CD1-CD1 3.68Å; I562-I573 HydrophobicContact CG1-CD1 4.41Å; I569-I573 HydrophobicContact CG2-CD1 3.83Å; I569-I573 HydrophobicContact CG2-CG1 4.44Å; I569-I573 VanDerWaalsContact O-CG1 3.31Å; I569-I573 WeakPolarHBondContact O-CG1 3.49Å; I569-I573 PolarHBondContact O-N 3.14Å; R570-I573 PolarHBondContact O-N 3.06Å; E571-I573 PolarHBondContact O-N 3.41Å; I573-R575 PolarHBondContact O-N 3.14Å; I573-C576 WeakPolarHBondContact O-CA 3.42Å; I573-C576 WeakPolarHBondContact O-CB 3.36Å; I573-C576 PolarHBondContact O-N 3.44Å; I573-I577 HydrophobicContact CG2-CD1 3.96Å; I573-I577 HydrophobicContact CG2-CG1 4.32Å; I573-I577 HydrophobicContact CG2-CG2 4.2Å; I573-I577 WeakPolarHBondContact O-CG1 3.43Å; I573-I577 PolarHBondContact O-N 2.93Å
574	D	93.9	Very high	89.2	Confident	41 Å²	41	56.6 Å²	56.6	22%	0.219	27%	0.272	C	S	.	.	H	α-helix	trans	-54.8	-51.5	179.9	-158.7	97.7	0	0	0	111.8	K555 F559 R570 E571 I572 C576 I577 R578	K555-D574 VanDerWaalsContact NZ-CG 3.29Å; K555-D574 IonicContact NZ-OD1 3.99Å; K555-D574 PolarHBondContact NZ-OD1 3.2Å; K555-D574 IonicContact NZ-OD2 3.1Å; K555-D574 PolarHBondContact NZ-OD2 3.47Å; F559-D574 HydrophobicContact CE2-CB 4.39Å; F559-D574 HydrophobicContact CZ-CB 4.04Å; F559-D574 VanDerWaalsContact CZ-OD1 3.29Å; F559-D574 WeakPolarHBondContact CZ-OD1 3.48Å; R570-D574 WeakPolarHBondContact O-CB 3.28Å; R570-D574 PolarHBondContact O-N 3.45Å; E571-D574 WeakPolarHBondContact O-CB 3.38Å; E571-D574 PolarHBondContact O-N 2.79Å; I572-D574 VanDerWaalsContact C-N 3.34Å; D574-C576 PolarHBondContact O-N 3.04Å; D574-I577 PolarHBondContact O-N 2.87Å; D574-R578 WeakPolarHBondContact O-CG 3.37Å; D574-R578 PolarHBondContact O-N 3.24Å; D574-R578 IonicContact OD2-NE 3.59Å
575	R	93.5	Very high	89.6	Confident	28 Å²	28	52.6 Å²	52.6	11%	0.106	24%	0.239	C	C	.	.	H	α-helix	trans	-68	-10	177.4	-55.7	-176.6	-33.5	-123.3	-1	113.9	E571 I573 R584 S585 D593	E571-R575 WeakPolarHBondContact O-CG 3.24Å; E571-R575 PolarHBondContact O-N 3.2Å; E571-R575 IonicContact OE1-CZ 2.75Å; E571-R575 IonicContact OE1-NH1 3.38Å; E571-R575 PolarHBondContact OE1-NH1 3.48Å; I573-R575 PolarHBondContact O-N 3.14Å; R575-R584 CarbonylContact O-C 3.44Å; R575-R584 VanDerWaalsContact O-CA 3.3Å; R575-R584 WeakPolarHBondContact O-CA 3.37Å; R575-S585 WeakPolarHBondContact CB-OG 3.3Å; R575-S585 PolarHBondContact NE-OG 2.93Å; R575-S585 PolarHBondContact O-N 3.15Å; R575-D593 IonicContact CZ-OD2 2.75Å; R575-D593 IonicContact NH1-OD2 2.64Å; R575-D593 IonicContact NH2-OD2 3.77Å; R575-D593 PolarHBondContact NH2-OD2 3.16Å
576	C	96.1	Very high	90.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-92.9	-38.5	171.3	-65.5	0	0	0	0	112.6	V520 Y521 I572 I573 D574 R584	V520-C576 HydrophobicContact CG1-CB 4.18Å; Y521-C576 WeakPolarHBondContact CA-O 3.4Å; I572-C576 PolarHBondContact O-N 2.86Å; I572-C576 PolarHBondContact O-SG 3.38Å; I573-C576 WeakPolarHBondContact O-CA 3.42Å; I573-C576 WeakPolarHBondContact O-CB 3.36Å; I573-C576 PolarHBondContact O-N 3.44Å; D574-C576 PolarHBondContact O-N 3.04Å; C576-R584 WeakPolarHBondContact O-CD 3.34Å
577	I	94.2	Very high	90.7	Very high	10 Å²	10	46.8 Å²	46.8	5%	0.051	22%	0.22	C	C	.	.	S	Bend	trans	-96.7	19.9	-170.9	72.7	173.9	0	0	0	114.5	Y521 M525 K555 F559 I573 D574	Y521-I577 HydrophobicContact CD2-CB 4.23Å; Y521-I577 HydrophobicContact CE2-CB 4.1Å; M525-I577 HydrophobicContact CE-CB 4.13Å; M525-I577 HydrophobicContact CE-CD1 4.34Å; M525-I577 HydrophobicContact CE-CG2 3.88Å; M525-I577 HydrophobicContact CG-CG2 4.37Å; M525-I577 HydrophobicContact SD-CG2 4.11Å; K555-I577 HydrophobicContact CB-CD1 4.4Å; K555-I577 HydrophobicContact CD-CD1 4.28Å; K555-I577 HydrophobicContact CG-CD1 3.96Å; F559-I577 HydrophobicContact CD2-CD1 4.06Å; F559-I577 HydrophobicContact CE2-CD1 4.29Å; I573-I577 HydrophobicContact CG2-CD1 3.96Å; I573-I577 HydrophobicContact CG2-CG1 4.32Å; I573-I577 HydrophobicContact CG2-CG2 4.2Å; I573-I577 WeakPolarHBondContact O-CG1 3.43Å; I573-I577 PolarHBondContact O-N 2.93Å; D574-I577 PolarHBondContact O-N 2.87Å
578	R	92.3	Very high	91.1	Very high	47 Å²	47	50 Å²	50	18%	0.177	23%	0.225	C	C	.	.			trans	-65.2	147.2	177	-60.1	-170.1	174.2	165.3	-22	111.8	D574 E583 R584 H694	D574-R578 WeakPolarHBondContact O-CG 3.37Å; D574-R578 PolarHBondContact O-N 3.24Å; D574-R578 IonicContact OD2-NE 3.59Å; R578-E583 HydrophobicContact CB-CB 4.23Å; R578-E583 WeakPolarHBondContact CD-O 3.43Å; R578-E583 PolarHBondContact NH1-O 3.05Å; R578-R584 HydrophobicContact CB-CG 4.2Å; R578-R584 PolarHBondContact O-NE 3.25Å; R578-R584 PolarHBondContact O-NH2 3.34Å; R578-H694 PolarHBondContact NH1-CD2 3.39Å; R578-H694 PolarHBondContact NH1-CE1 3.47Å; R578-H694 PolarHBondContact NH1-NE2 3.21Å; R578-H694 PolarHBondContact NH2-CE1 2.83Å
579	V	86.4	Confident	91.4	Very high	57 Å²	57	51.6 Å²	51.6	35%	0.345	23%	0.233	S	C	.	.	S	Bend	trans	-63.3	-58.3	-176.5	-175.4	0	0	0	0	110.4	P507 R584	P507-V579 HydrophobicContact CG-CG1 4.18Å; P507-V579 WeakPolarHBondContact CG-O 3.39Å; V579-R584 PolarHBondContact O-NH2 2.99Å
580	R	83.4	Confident	91.4	Very high	106 Å²	106	51.6 Å²	51.6	40%	0.4	23%	0.233	S	C	.	.	S	Bend	trans	-70.6	132.7	175.9	-54.8	-168.7	-171.1	79.9	3.7	109.8	E582 E583 R701	R580-E582 VanDerWaalsContact C-N 3.32Å; R580-E582 PolarHBondContact O-N 2.85Å; R580-E583 HydrophobicContact CB-CG 4.01Å; R580-E583 WeakPolarHBondContact CD-OE1 3.44Å; R580-E583 IonicContact CZ-OE1 2.66Å; R580-E583 IonicContact NE-OE1 2.82Å; R580-E583 IonicContact NH1-OE1 2.76Å; R580-E583 PolarHBondContact NH1-OE1 3.34Å; R580-E583 IonicContact NH1-OE2 3.65Å; R580-E583 PolarHBondContact O-N 2.94Å; R580-R701 VanDerWaalsContact NH1-NH1 3.11Å
581	R	86.6	Confident	91.3	Very high	100 Å²	100	47.3 Å²	47.3	38%	0.377	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-67.1	-33.6	-178.5	58.7	173.5	-174.6	173.1	-9	112.7	D515 S517 E583 R584	D515-R581 VanDerWaalsContact OD2-CD 3.25Å; D515-R581 WeakPolarHBondContact OD2-CD 3.41Å; D515-R581 IonicContact OD2-CZ 3.11Å; D515-R581 IonicContact OD2-NE 4Å; D515-R581 IonicContact OD2-NH1 3.23Å; D515-R581 PolarHBondContact OD2-NH1 2.74Å; S517-R581 VanDerWaalsContact OG-CB 3.31Å; S517-R581 WeakPolarHBondContact OG-CB 3.27Å; R581-E583 PolarHBondContact O-N 3.37Å; R581-R584 WeakPolarHBondContact O-CB 3.37Å; R581-R584 PolarHBondContact O-N 3.19Å; R581-R584 VanDerWaalsContact O-N 3.1Å
582	E	86.4	Confident	91	Very high	134 Å²	134	49.1 Å²	49.1	63%	0.626	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-67	-21.9	-178.2	-60	76.1	-166.9	0	0	112.2	R580	R580-E582 VanDerWaalsContact C-N 3.32Å; R580-E582 PolarHBondContact O-N 2.85Å
583	E	87.1	Confident	90.5	Very high	34 Å²	34	50.3 Å²	50.3	16%	0.159	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-86.4	-8.1	177.9	-61.8	171	178.7	0	0	112.6	R578 R580 R581 R701	R578-E583 HydrophobicContact CB-CB 4.23Å; R578-E583 WeakPolarHBondContact CD-O 3.43Å; R578-E583 PolarHBondContact NH1-O 3.05Å; R580-E583 HydrophobicContact CB-CG 4.01Å; R580-E583 WeakPolarHBondContact CD-OE1 3.44Å; R580-E583 IonicContact CZ-OE1 2.66Å; R580-E583 IonicContact NE-OE1 2.82Å; R580-E583 IonicContact NH1-OE1 2.76Å; R580-E583 PolarHBondContact NH1-OE1 3.34Å; R580-E583 IonicContact NH1-OE2 3.65Å; R580-E583 PolarHBondContact O-N 2.94Å; R581-E583 PolarHBondContact O-N 3.37Å; E583-R701 IonicContact OE1-CZ 2.72Å; E583-R701 IonicContact OE1-NH1 3.5Å; E583-R701 PolarHBondContact OE1-NH1 2.89Å; E583-R701 IonicContact OE1-NH2 3.3Å; E583-R701 PolarHBondContact OE1-NH2 3.05Å
584	R	93.2	Very high	89.6	Confident	14 Å²	14	52 Å²	52	5%	0.053	25%	0.249	C	C	.	.	S	Bend	trans	-82.4	144.6	-174.3	-59.4	179	-165.3	147	12.3	112	E508 S517 V520 R575 C576 R578 V579 R581 T586	E508-R584 IonicContact OE1-CZ 3.64Å; E508-R584 IonicContact OE1-NH1 2.77Å; E508-R584 PolarHBondContact OE1-NH1 3.18Å; E508-R584 IonicContact OE1-NH2 3.49Å; E508-R584 PolarHBondContact OE1-NH2 3.24Å; E508-R584 IonicContact OE2-CZ 3.55Å; E508-R584 IonicContact OE2-NH1 3.05Å; E508-R584 PolarHBondContact OE2-NH1 3.36Å; E508-R584 IonicContact OE2-NH2 3.5Å; E508-R584 PolarHBondContact OE2-NH2 3.31Å; S517-R584 PolarHBondContact O-NH1 3.28Å; S517-R584 PolarHBondContact OG-NH1 3.42Å; V520-R584 HydrophobicContact CG1-CB 4.18Å; R575-R584 CarbonylContact O-C 3.44Å; R575-R584 VanDerWaalsContact O-CA 3.3Å; R575-R584 WeakPolarHBondContact O-CA 3.37Å; C576-R584 WeakPolarHBondContact O-CD 3.34Å; R578-R584 HydrophobicContact CB-CG 4.2Å; R578-R584 PolarHBondContact O-NE 3.25Å; R578-R584 PolarHBondContact O-NH2 3.34Å; V579-R584 PolarHBondContact O-NH2 2.99Å; R581-R584 WeakPolarHBondContact O-CB 3.37Å; R581-R584 PolarHBondContact O-N 3.19Å; R581-R584 VanDerWaalsContact O-N 3.1Å; R584-T586 PolarHBondContact O-N 3.49Å
585	S	91	Very high	89	Confident	14 Å²	14	50.1 Å²	50.1	10%	0.098	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-66.7	119.3	174.4	-67.7	0	0	0	0	111.5	V520 R575	V520-S585 WeakPolarHBondContact CG1-O 3.47Å; R575-S585 WeakPolarHBondContact CB-OG 3.3Å; R575-S585 PolarHBondContact NE-OG 2.93Å; R575-S585 PolarHBondContact O-N 3.15Å
586	T	92.9	Very high	88.4	Confident	70 Å²	70	48.9 Å²	48.9	43%	0.429	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-60.5	153.2	173.9	63.5	0	0	0	0	111.6	R584 K588 Q589 L590	R584-T586 PolarHBondContact O-N 3.49Å; T586-K588 PolarHBondContact O-N 2.99Å; T586-K588 VanDerWaalsContact O-N 3.12Å; T586-Q589 PolarHBondContact O-N 2.86Å; T586-Q589 VanDerWaalsContact OG1-CD 3.25Å; T586-Q589 WeakPolarHBondContact OG1-CG 3.43Å; T586-Q589 PolarHBondContact OG1-N 3.39Å; T586-Q589 PolarHBondContact OG1-OE1 3.37Å; T586-L590 PolarHBondContact O-N 3.1Å
587	V	94.4	Very high	87.1	Confident	10 Å²	10	50.9 Å²	50.9	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-56.5	-31.5	176.8	-178	0	0	0	0	112.1	L447 L450 V520 L590 L591	L447-V587 HydrophobicContact CB-CG1 4.3Å; L447-V587 HydrophobicContact CD2-CG1 4.03Å; L447-V587 WeakPolarHBondContact O-CG1 3.4Å; L450-V587 HydrophobicContact CB-CG1 4.2Å; L450-V587 HydrophobicContact CB-CG2 4.21Å; V520-V587 HydrophobicContact CG2-CG2 3.75Å; V587-L590 PolarHBondContact O-N 3.47Å; V587-L591 HydrophobicContact CG1-CD1 4.25Å; V587-L591 WeakPolarHBondContact O-CB 3.26Å; V587-L591 WeakPolarHBondContact O-CG 3.26Å; V587-L591 PolarHBondContact O-N 2.95Å
588	K	91.6	Very high	85.6	Confident	151 Å²	151	52.7 Å²	52.7	66%	0.657	26%	0.26	S	S	*	.	H	α-helix	trans	-64.3	-46.7	173.5	-67.7	179.6	-178	173.1	0	112.1	T586 L591 V592	T586-K588 PolarHBondContact O-N 2.99Å; T586-K588 VanDerWaalsContact O-N 3.12Å; K588-L591 PolarHBondContact O-N 2.9Å; K588-V592 WeakPolarHBondContact O-CG2 3.33Å; K588-V592 PolarHBondContact O-N 3.24Å
589	Q	90.9	Very high	83.9	Confident	78 Å²	78	54.1 Å²	54.1	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-64.5	-41.9	176.1	-71.5	157.4	-34.5	0	0	111.2	T586 L591 V592 D593	T586-Q589 PolarHBondContact O-N 2.86Å; T586-Q589 VanDerWaalsContact OG1-CD 3.25Å; T586-Q589 WeakPolarHBondContact OG1-CG 3.43Å; T586-Q589 PolarHBondContact OG1-N 3.39Å; T586-Q589 PolarHBondContact OG1-OE1 3.37Å; Q589-L591 VanDerWaalsContact C-N 3.3Å; Q589-L591 PolarHBondContact O-N 3.19Å; Q589-V592 PolarHBondContact O-N 2.89Å; Q589-V592 VanDerWaalsContact O-N 3.13Å; Q589-D593 PolarHBondContact O-N 3.15Å; Q589-D593 VanDerWaalsContact O-N 3.12Å
590	L	93.1	Very high	82.3	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-30.4	176.7	-66.8	173.1	0	0	0	113.1	L447 V520 F523 I572 T586 V587 V592 F596	L447-L590 HydrophobicContact CD1-CB 3.87Å; L447-L590 HydrophobicContact CD2-CB 3.84Å; L447-L590 HydrophobicContact CD2-CD1 3.81Å; L447-L590 HydrophobicContact CD2-CG 4.49Å; V520-L590 HydrophobicContact CG1-CD1 4.26Å; F523-L590 HydrophobicContact CD1-CD1 4.18Å; F523-L590 HydrophobicContact CE1-CD1 4.2Å; I572-L590 HydrophobicContact CG2-CD2 4.19Å; T586-L590 PolarHBondContact O-N 3.1Å; V587-L590 PolarHBondContact O-N 3.47Å; L590-V592 VanDerWaalsContact C-N 3.28Å; L590-V592 PolarHBondContact O-N 3.39Å; L590-F596 WeakPolarHBondContact O-CD2 3.5Å
591	L	90.1	Very high	80.8	Confident	47 Å²	47	56.7 Å²	56.7	25%	0.246	29%	0.287	C	S	.	.	H	α-helix	trans	-74.9	-15.1	174.8	-79	171.3	0	0	0	114.3	L447 K448 V587 K588 Q589	L447-L591 HydrophobicContact CB-CD2 3.58Å; L447-L591 HydrophobicContact CB-CG 3.92Å; K448-L591 HydrophobicContact CG-CD2 3.97Å; V587-L591 HydrophobicContact CG1-CD1 4.25Å; V587-L591 WeakPolarHBondContact O-CB 3.26Å; V587-L591 WeakPolarHBondContact O-CG 3.26Å; V587-L591 PolarHBondContact O-N 2.95Å; K588-L591 PolarHBondContact O-N 2.9Å; Q589-L591 VanDerWaalsContact C-N 3.3Å; Q589-L591 PolarHBondContact O-N 3.19Å
592	V	84.3	Confident	79.4	Confident	89 Å²	89	53.4 Å²	53.4	54%	0.539	28%	0.277	S	S	.	.	H	α-helix	trans	-100.5	-20.3	179.2	177	0	0	0	0	112.2	K588 Q589 L590 D594	K588-V592 WeakPolarHBondContact O-CG2 3.33Å; K588-V592 PolarHBondContact O-N 3.24Å; Q589-V592 PolarHBondContact O-N 2.89Å; Q589-V592 VanDerWaalsContact O-N 3.13Å; L590-V592 VanDerWaalsContact C-N 3.28Å; L590-V592 PolarHBondContact O-N 3.39Å; V592-D594 PolarHBondContact O-N 3.08Å
593	D	83.1	Confident	78.3	Confident	27 Å²	27	47.6 Å²	47.6	14%	0.144	25%	0.252	C	S	.	.	S	Bend	trans	-51.5	133.4	176.4	-174.1	-63.7	0	0	0	112.6	R575 Q589 F595 F596 T597	R575-D593 IonicContact CZ-OD2 2.75Å; R575-D593 IonicContact NH1-OD2 2.64Å; R575-D593 IonicContact NH2-OD2 3.77Å; R575-D593 PolarHBondContact NH2-OD2 3.16Å; Q589-D593 PolarHBondContact O-N 3.15Å; Q589-D593 VanDerWaalsContact O-N 3.12Å; D593-F595 PolarHBondContact O-N 3.1Å; D593-F595 VanDerWaalsContact O-N 3.08Å; D593-F595 VanDerWaalsContact OD1-CB 3.28Å; D593-F595 WeakPolarHBondContact OD1-CB 3.34Å; D593-F595 PolarHBondContact OD1-N 2.87Å; D593-F596 HydrophobicContact CB-CD2 4.24Å; D593-F596 CarbonylContact O-C 3.47Å; D593-F596 WeakPolarHBondContact O-CA 3.46Å; D593-F596 PolarHBondContact O-N 2.93Å; D593-T597 PolarHBondContact O-N 2.91Å; D593-T597 VanDerWaalsContact O-N 3.14Å
594	D	76.5	Confident	77.8	Confident	34 Å²	34	46.5 Å²	46.5	18%	0.182	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-50.3	-37	-176.9	-61	-98.4	0	0	0	114	V592 F596 T597 K684	V592-D594 PolarHBondContact O-N 3.08Å; D594-F596 PolarHBondContact O-N 3.04Å; D594-T597 PolarHBondContact O-N 3.09Å; D594-T597 VanDerWaalsContact O-N 3.11Å; D594-T597 PolarHBondContact O-OG1 2.88Å; D594-K684 WeakPolarHBondContact OD1-CE 3.39Å; D594-K684 IonicContact OD1-NZ 3.7Å; D594-K684 PolarHBondContact OD1-NZ 3.15Å; D594-K684 VanDerWaalsContact OD2-CE 3.32Å; D594-K684 WeakPolarHBondContact OD2-CE 3.41Å; D594-K684 IonicContact OD2-NZ 2.7Å; D594-K684 PolarHBondContact OD2-NZ 2.75Å
595	F	81	Confident	77.1	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.009	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-62.3	-30.2	179.5	-176.7	-99.4	0	0	0	112.2	I436 K440 E568 I569 I572 D593	I436-F595 HydrophobicContact CD1-CE2 3.86Å; I436-F595 HydrophobicContact CD1-CZ 3.72Å; K440-F595 HydrophobicContact CD-CD2 4.41Å; K440-F595 HydrophobicContact CD-CE2 4.19Å; K440-F595 HydrophobicContact CD-CZ 4.28Å; K440-F595 WeakPolarHBondContact CD-O 3.47Å; K440-F595 WeakPolarHBondContact CE-O 3.39Å; K440-F595 HydrophobicContact CG-CD1 4.21Å; K440-F595 HydrophobicContact CG-CD2 4.44Å; K440-F595 HydrophobicContact CG-CE1 3.7Å; K440-F595 HydrophobicContact CG-CE2 3.98Å; K440-F595 HydrophobicContact CG-CZ 3.56Å; E568-F595 HydrophobicContact CG-CB 4.27Å; E568-F595 HydrophobicContact CG-CD2 3.36Å; E568-F595 HydrophobicContact CG-CE2 4.01Å; E568-F595 HydrophobicContact CG-CG 4.1Å; I569-F595 HydrophobicContact CD1-CE2 3.78Å; I569-F595 HydrophobicContact CD1-CZ 3.52Å; I569-F595 HydrophobicContact CG1-CD2 4.24Å; I569-F595 HydrophobicContact CG1-CE1 4.1Å; I569-F595 HydrophobicContact CG1-CE2 3.41Å; I569-F595 VanDerWaalsContact CG1-CE2 3.41Å; I569-F595 HydrophobicContact CG1-CZ 3.35Å; I572-F595 HydrophobicContact CD1-CB 3.48Å; I572-F595 VanDerWaalsContact CD1-CB 3.48Å; I572-F595 HydrophobicContact CD1-CD1 3.73Å; I572-F595 HydrophobicContact CD1-CG 3.73Å; D593-F595 PolarHBondContact O-N 3.1Å; D593-F595 VanDerWaalsContact O-N 3.08Å; D593-F595 VanDerWaalsContact OD1-CB 3.28Å; D593-F595 WeakPolarHBondContact OD1-CB 3.34Å; D593-F595 PolarHBondContact OD1-N 2.87Å
596	F	81.8	Confident	76.9	Confident	3 Å²	3	49 Å²	49	1%	0.013	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-101.5	6.7	176.3	-55.6	-60.3	0	0	0	113.8	C443 R444 L447 F523 L527 I572 L590 D593 D594	C443-F596 HydrophobicContact CB-CD1 4.07Å; C443-F596 HydrophobicContact CB-CE1 3.31Å; C443-F596 HydrophobicContact CB-CZ 4Å; R444-F596 HydrophobicContact CB-CD1 4.44Å; R444-F596 WeakPolarHBondContact CD-O 3.48Å; R444-F596 HydrophobicContact CG-CB 4.46Å; R444-F596 PolarHBondContact NE-O 3.01Å; R444-F596 PolarHBondContact NH1-O 3.23Å; L447-F596 HydrophobicContact CD1-CD2 3.94Å; L447-F596 HydrophobicContact CD1-CE2 3.95Å; L447-F596 HydrophobicContact CD1-CG 4.24Å; L447-F596 HydrophobicContact CD1-CZ 4.31Å; F523-F596 HydrophobicContact CZ-CZ 4.02Å; L527-F596 HydrophobicContact CD2-CZ 4.42Å; I572-F596 HydrophobicContact CD1-CE2 3.96Å; I572-F596 HydrophobicContact CD1-CZ 4.37Å; I572-F596 HydrophobicContact CG2-CE2 3.86Å; I572-F596 HydrophobicContact CG2-CZ 4.13Å; L590-F596 WeakPolarHBondContact O-CD2 3.5Å; D593-F596 HydrophobicContact CB-CD2 4.24Å; D593-F596 CarbonylContact O-C 3.47Å; D593-F596 WeakPolarHBondContact O-CA 3.46Å; D593-F596 PolarHBondContact O-N 2.93Å; D594-F596 PolarHBondContact O-N 3.04Å
597	T	69.7	Low	76.5	Confident	41 Å²	41	47.2 Å²	47.2	25%	0.252	24%	0.242	S	C	.	.	S	Bend	trans	-72.9	154.6	159.4	70.9	0	0	0	0	110.7	R444 D593 D594 E599	R444-T597 PolarHBondContact NH1-O 3.1Å; R444-T597 PolarHBondContact NH2-O 2.86Å; D593-T597 PolarHBondContact O-N 2.91Å; D593-T597 VanDerWaalsContact O-N 3.14Å; D594-T597 PolarHBondContact O-N 3.09Å; D594-T597 VanDerWaalsContact O-N 3.11Å; D594-T597 PolarHBondContact O-OG1 2.88Å; T597-E599 PolarHBondContact O-N 2.69Å
598	P	61.7	Low	76.3	Confident	49 Å²	49	47.7 Å²	47.7	32%	0.318	24%	0.244	S	C	.	.			trans	-84.6	113.2	178.4	-6.9	25.2	0	0	0	110	R444 D600 L601	R444-P598 VanDerWaalsContact NH1-CA 3.33Å; P598-D600 PolarHBondContact O-N 3.34Å; P598-L601 HydrophobicContact CB-CB 4.21Å; P598-L601 HydrophobicContact CB-CD1 4.13Å; P598-L601 HydrophobicContact CG-CB 4.43Å; P598-L601 HydrophobicContact CG-CD1 4.22Å; P598-L601 HydrophobicContact CG-CD2 4.36Å; P598-L601 PolarHBondContact O-N 2.66Å
599	E	57.6	Low	76	Confident	76 Å²	76	44.6 Å²	44.6	36%	0.355	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-46.1	-38.9	173.4	-63.9	166.9	178.3	0	0	111.5	K437 K440 T597 L601 G603	K437-E599 VanDerWaalsContact CE-OE2 3.3Å; K437-E599 WeakPolarHBondContact CE-OE2 3.42Å; K437-E599 IonicContact NZ-OE2 3.65Å; K437-E599 PolarHBondContact NZ-OE2 3.1Å; K440-E599 IonicContact NZ-OE1 3.51Å; K440-E599 PolarHBondContact NZ-OE1 2.92Å; T597-E599 PolarHBondContact O-N 2.69Å; E599-L601 PolarHBondContact O-N 3.32Å; E599-G603 PolarHBondContact O-N 3.46Å
600	D	52.3	Low	75.7	Confident	83 Å²	83	44.5 Å²	44.5	44%	0.444	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-85.1	-1.4	-171.1	-30.7	-84.8	0	0	0	114.2	W58 K437 P598	W58-D600 HydrophobicContact CH2-CB 3.46Å; W58-D600 VanDerWaalsContact CH2-CB 3.46Å; W58-D600 VanDerWaalsContact CH2-CG 3.5Å; W58-D600 WeakPolarHBondContact CH2-OD1 3.39Å; W58-D600 HydrophobicContact CZ2-CB 3.36Å; K437-D600 IonicContact NZ-OD1 3.88Å; K437-D600 PolarHBondContact NZ-OD1 3.48Å; K437-D600 IonicContact NZ-OD2 2.87Å; P598-D600 PolarHBondContact O-N 3.34Å
601	L	52.3	Low	75.3	Confident	135 Å²	135	46.7 Å²	46.7	71%	0.707	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-83.8	-16.6	174.2	-120.6	72.7	0	0	0	113.4	P598 E599	P598-L601 HydrophobicContact CB-CB 4.21Å; P598-L601 HydrophobicContact CB-CD1 4.13Å; P598-L601 HydrophobicContact CG-CB 4.43Å; P598-L601 HydrophobicContact CG-CD1 4.22Å; P598-L601 HydrophobicContact CG-CD2 4.36Å; P598-L601 PolarHBondContact O-N 2.66Å; E599-L601 PolarHBondContact O-N 3.32Å
602	I	55.5	Low	74.9	Confident	31 Å²	31	49.9 Å²	49.9	16%	0.159	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-43.7	-165.5	-55.1	-174.8	0	0	0	110.5	I604 K633 M676 L680	I602-I604 HydrophobicContact CG2-CB 3.7Å; I602-I604 HydrophobicContact CG2-CD1 4.21Å; I602-I604 HydrophobicContact CG2-CG1 4.4Å; I602-I604 WeakPolarHBondContact CG2-O 3.19Å; I602-I604 PolarHBondContact O-N 2.72Å; I602-K633 PolarHBondContact O-NZ 3.45Å; I602-M676 HydrophobicContact CB-CE 4.36Å; I602-M676 HydrophobicContact CB-SD 3.9Å; I602-M676 HydrophobicContact CD1-CG 4.26Å; I602-M676 HydrophobicContact CD1-SD 4.48Å; I602-M676 HydrophobicContact CG1-CG 4.24Å; I602-M676 HydrophobicContact CG1-SD 3.82Å; I602-M676 HydrophobicContact CG2-CE 3.46Å; I602-M676 VanDerWaalsContact CG2-CE 3.46Å; I602-M676 HydrophobicContact CG2-CG 3.99Å; I602-M676 HydrophobicContact CG2-SD 3.5Å; I602-M676 VanDerWaalsContact CG2-SD 3.5Å; I602-L680 HydrophobicContact CD1-CD1 4.02Å; I602-L680 HydrophobicContact CD1-CD2 3.92Å; I602-L680 HydrophobicContact CD1-CG 4.18Å; I602-L680 HydrophobicContact CG2-CD1 3.85Å
603	G	64.4	Low	74.9	Confident	11 Å²	11	47.9 Å²	47.9	11%	0.113	25%	0.251	C	S	.	.	S	Bend	trans	72.1	5.9	-172.6	0	0	0	0	0	114	E599 Y629 D630	E599-G603 PolarHBondContact O-N 3.46Å; G603-Y629 PolarHBondContact O-N 2.98Å; G603-D630 PolarHBondContact O-N 2.73Å
604	I	76.2	Confident	75.1	Confident	11 Å²	11	47 Å²	47	6%	0.056	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	148.3	-174.8	-58.2	143.5	0	0	0	108	I602 L626 R627 V628 K633 Y637 D673 M676 I677	I602-I604 HydrophobicContact CG2-CB 3.7Å; I602-I604 HydrophobicContact CG2-CD1 4.21Å; I602-I604 HydrophobicContact CG2-CG1 4.4Å; I602-I604 WeakPolarHBondContact CG2-O 3.19Å; I602-I604 PolarHBondContact O-N 2.72Å; I604-L626 HydrophobicContact CG2-CD1 3.39Å; I604-L626 HydrophobicContact CG2-CG 4.02Å; I604-R627 CarbonylContact C-O 3.57Å; I604-R627 VanDerWaalsContact CA-O 3.28Å; I604-R627 WeakPolarHBondContact CA-O 3.45Å; I604-V628 HydrophobicContact CG1-CB 4.43Å; I604-V628 HydrophobicContact CG1-CG1 4.35Å; I604-V628 HydrophobicContact CG1-CG2 3.92Å; I604-K633 HydrophobicContact CD1-CD 4Å; I604-K633 HydrophobicContact CG1-CD 4.49Å; I604-Y637 HydrophobicContact CD1-CE2 4.19Å; I604-Y637 WeakPolarHBondContact CD1-OH 3.47Å; I604-D673 WeakPolarHBondContact CD1-OD2 3.4Å; I604-M676 HydrophobicContact CD1-CE 3.69Å; I604-I677 HydrophobicContact CD1-CD1 4.42Å; I604-I677 HydrophobicContact CG2-CD1 4.46Å; I604-I677 HydrophobicContact CG2-CG1 4.49Å
605	R	78.5	Confident	75.5	Confident	81 Å²	81	46.9 Å²	46.9	31%	0.306	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	144	177.8	-170.4	-179.2	-174.5	-158.1	13.8	109.9	E568 E607 L626 R627 Y629	E568-R605 IonicContact OE1-NH2 2.72Å; R605-E607 WeakPolarHBondContact CD-OE1 3.46Å; R605-E607 HydrophobicContact CG-CG 4.21Å; R605-E607 IonicContact CZ-OE1 2.68Å; R605-E607 IonicContact NE-OE1 3.82Å; R605-E607 VanDerWaalsContact NH1-CD 3.35Å; R605-E607 IonicContact NH1-OE1 3.1Å; R605-E607 PolarHBondContact NH1-OE1 2.9Å; R605-L626 CarbonylContact O-C 3.57Å; R605-L626 WeakPolarHBondContact O-CA 3.36Å; R605-R627 PolarHBondContact N-O 3.47Å; R605-R627 PolarHBondContact O-N 3.44Å; R605-Y629 HydrophobicContact CB-CD2 4.21Å; R605-Y629 HydrophobicContact CB-CE2 3.88Å
606	V	86.5	Confident	75.6	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.3	164.2	-178.3	0	0	0	0	108.5	M624 Q625 L626 F647 L680 I681 K684	V606-M624 HydrophobicContact CG1-CE 3.8Å; V606-Q625 CarbonylContact C-O 3.54Å; V606-Q625 WeakPolarHBondContact CA-O 3.42Å; V606-L626 HydrophobicContact CG2-CD1 3.64Å; V606-F647 HydrophobicContact CG1-CZ 4.47Å; V606-L680 HydrophobicContact CB-CB 4.45Å; V606-L680 HydrophobicContact CG2-CB 3.76Å; V606-L680 HydrophobicContact CG2-CD1 4.47Å; V606-I681 HydrophobicContact CG2-CG1 4.2Å; V606-K684 HydrophobicContact CB-CG 4.19Å; V606-K684 HydrophobicContact CG1-CG 4.07Å; V606-K684 WeakPolarHBondContact O-CE 3.45Å
607	E	85.2	Confident	75.8	Confident	31 Å²	31	56 Å²	56	15%	0.145	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152	175.9	-68.1	174.3	-154.1	0	0	109.3	R605 M624 Q625 R627	R605-E607 WeakPolarHBondContact CD-OE1 3.46Å; R605-E607 HydrophobicContact CG-CG 4.21Å; R605-E607 IonicContact CZ-OE1 2.68Å; R605-E607 IonicContact NE-OE1 3.82Å; R605-E607 VanDerWaalsContact NH1-CD 3.35Å; R605-E607 IonicContact NH1-OE1 3.1Å; R605-E607 PolarHBondContact NH1-OE1 2.9Å; E607-M624 CarbonylContact O-C 3.59Å; E607-M624 WeakPolarHBondContact O-CA 3.43Å; E607-Q625 PolarHBondContact N-O 3.04Å; E607-Q625 PolarHBondContact O-N 2.91Å; E607-R627 IonicContact OE1-CZ 3.97Å; E607-R627 IonicContact OE1-NH1 2.78Å; E607-R627 PolarHBondContact OE1-NH1 3.12Å; E607-R627 IonicContact OE2-CZ 2.74Å; E607-R627 IonicContact OE2-NE 3.92Å; E607-R627 IonicContact OE2-NH1 3.9Å; E607-R627 PolarHBondContact OE2-NH1 3.12Å; E607-R627 IonicContact OE2-NH2 2.71Å; E607-R627 PolarHBondContact OE2-NH2 2.67Å
608	I	89.2	Confident	76.6	Confident	20 Å²	20	56.6 Å²	56.6	10%	0.103	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.1	167.8	-60.1	169.1	0	0	0	106	R611 I622 M624 F688	I608-R611 HydrophobicContact CB-CB 4.28Å; I608-R611 HydrophobicContact CG2-CB 4.17Å; I608-I622 HydrophobicContact CD1-CD1 3.89Å; I608-I622 HydrophobicContact CG1-CD1 4.29Å; I608-I622 HydrophobicContact CG2-CB 4.29Å; I608-M624 HydrophobicContact CG1-CE 4.13Å; I608-M624 HydrophobicContact CG1-CG 4.47Å; I608-F688 HydrophobicContact CD1-CB 3.92Å; I608-F688 HydrophobicContact CD1-CD2 3.73Å; I608-F688 HydrophobicContact CD1-CG 4.11Å
609	K	86	Confident	77.7	Confident	87 Å²	87	57.1 Å²	57.1	38%	0.378	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-45.9	-168.6	-76.6	-163.7	169.9	-167.8	0	113.3	Q623 Q625 Q646	K609-Q623 HydrophobicContact CB-CB 4.38Å; K609-Q623 PolarHBondContact N-O 2.98Å; K609-Q625 HydrophobicContact CG-CB 4.15Å; K609-Q646 HydrophobicContact CD-CG 4.5Å
610	N	85.5	Confident	79.2	Confident	75 Å²	75	55.9 Å²	55.9	40%	0.401	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	27	-171.9	-57.4	-19.4	0	0	0	111.8	D612 A613 D614	N610-D612 PolarHBondContact O-N 3.26Å; N610-A613 HydrophobicContact CB-CB 4.47Å; N610-A613 WeakPolarHBondContact O-CA 3.45Å; N610-A613 PolarHBondContact O-N 2.85Å; N610-D614 WeakPolarHBondContact CB-OD2 3.44Å; N610-D614 PolarHBondContact O-N 3.38Å
611	R	84.7	Confident	81	Confident	47 Å²	47	57.7 Å²	57.7	18%	0.177	30%	0.299	C	S	.	.	H	α-helix	trans	-39	-48	-171.9	175.3	174	170.4	74.7	-10.5	113.9	E571 I608 L615 F688 D691	E571-R611 IonicContact OE1-CZ 2.69Å; E571-R611 IonicContact OE1-NH2 2.66Å; E571-R611 PolarHBondContact OE1-NH2 3.03Å; E571-R611 IonicContact OE2-CZ 3.35Å; E571-R611 IonicContact OE2-NE 3.22Å; E571-R611 PolarHBondContact OE2-NE 2.99Å; E571-R611 IonicContact OE2-NH2 2.61Å; E571-R611 PolarHBondContact OE2-NH2 3.17Å; I608-R611 HydrophobicContact CB-CB 4.28Å; I608-R611 HydrophobicContact CG2-CB 4.17Å; R611-L615 WeakPolarHBondContact O-CB 3.37Å; R611-L615 PolarHBondContact O-N 2.98Å; R611-F688 HydrophobicContact CG-CD2 4.49Å; R611-F688 HydrophobicContact CG-CE2 4.41Å; R611-D691 IonicContact CZ-OD2 3.26Å; R611-D691 IonicContact NH1-OD2 2.65Å; R611-D691 PolarHBondContact NH1-OD2 3.14Å; R611-D691 IonicContact NH2-OD1 3.74Å; R611-D691 IonicContact NH2-OD2 3.39Å; R611-D691 PolarHBondContact NH2-OD2 2.86Å
612	D	81.1	Confident	82.9	Confident	114 Å²	114	51.3 Å²	51.3	61%	0.61	27%	0.265	S	S	*	.	H	α-helix	trans	-70.2	-34.6	-177.5	-61.4	-25	0	0	0	113.2	N610 N616	N610-D612 PolarHBondContact O-N 3.26Å; D612-N616 WeakPolarHBondContact O-CB 3.22Å; D612-N616 PolarHBondContact O-N 2.8Å; D612-N616 PolarHBondContact O-ND2 3.02Å
613	A	83.9	Confident	84.7	Confident	47 Å²	47	53.4 Å²	53.4	39%	0.388	28%	0.275	S	S	.	.	H	α-helix	trans	-75.1	-51.5	175.2	0	0	0	0	0	110.2	N610 L615 N616 D617	N610-A613 HydrophobicContact CB-CB 4.47Å; N610-A613 WeakPolarHBondContact O-CA 3.45Å; N610-A613 PolarHBondContact O-N 2.85Å; A613-L615 PolarHBondContact O-N 3.5Å; A613-L615 VanDerWaalsContact O-N 3.11Å; A613-N616 PolarHBondContact O-N 3.36Å; A613-D617 PolarHBondContact O-N 2.93Å
614	D	87.5	Confident	85.9	Confident	9 Å²	9	52.9 Å²	52.9	5%	0.048	27%	0.269	C	S	.	.	H	α-helix	trans	-55.1	-35.8	179.5	-61	-32.5	0	0	0	112.1	N610 L618 N619 I622 F688	N610-D614 WeakPolarHBondContact CB-OD2 3.44Å; N610-D614 PolarHBondContact O-N 3.38Å; D614-L618 CarbonylContact O-C 3.39Å; D614-L618 WeakPolarHBondContact O-CA 3.3Å; D614-L618 PolarHBondContact O-N 3.34Å; D614-L618 VanDerWaalsContact O-N 3.11Å; D614-N619 HydrophobicContact CB-CB 4.17Å; D614-N619 PolarHBondContact O-N 2.67Å; D614-N619 PolarHBondContact OD1-ND2 3.05Å; D614-I622 HydrophobicContact CB-CG2 3.93Å; D614-F688 HydrophobicContact CB-CE2 4.09Å; D614-F688 HydrophobicContact CB-CZ 3.71Å
615	L	84.5	Confident	86.6	Confident	31 Å²	31	53 Å²	53	16%	0.162	27%	0.269	C	S	.	.	H	α-helix	trans	-78.1	-28.2	178.5	-173.6	65.4	0	0	0	113.9	R611 A613 F688 D691 R692 R695	R611-L615 WeakPolarHBondContact O-CB 3.37Å; R611-L615 PolarHBondContact O-N 2.98Å; A613-L615 PolarHBondContact O-N 3.5Å; A613-L615 VanDerWaalsContact O-N 3.11Å; L615-F688 HydrophobicContact CB-CE2 4.1Å; L615-F688 HydrophobicContact CB-CZ 4.14Å; L615-F688 HydrophobicContact CD1-CE2 4.49Å; L615-F688 HydrophobicContact CD1-CZ 4.35Å; L615-D691 VanDerWaalsContact CD1-C 3.49Å; L615-D691 HydrophobicContact CD1-CB 3.79Å; L615-D691 HydrophobicContact CD2-CB 4.09Å; L615-R692 HydrophobicContact CD1-CB 4.21Å; L615-R695 HydrophobicContact CD1-CB 4.44Å
616	N	83.5	Confident	87	Confident	84 Å²	84	49.1 Å²	49.1	45%	0.449	26%	0.255	S	S	.	.	H	α-helix	trans	-82.6	-40.4	176.3	-84.5	-63.5	0	0	0	112.1	D612 A613 L618 R695	D612-N616 WeakPolarHBondContact O-CB 3.22Å; D612-N616 PolarHBondContact O-N 2.8Å; D612-N616 PolarHBondContact O-ND2 3.02Å; A613-N616 PolarHBondContact O-N 3.36Å; N616-L618 PolarHBondContact O-N 3.33Å; N616-R695 PolarHBondContact OD1-NE 3.49Å; N616-R695 PolarHBondContact OD1-NH2 2.69Å
617	D	86.2	Confident	86.8	Confident	113 Å²	113	52.5 Å²	52.5	60%	0.604	27%	0.268	S	S	*	.	H	α-helix	trans	-79.7	-9.6	178.2	-61.1	-28.3	0	0	0	112.2	A613 N619	A613-D617 PolarHBondContact O-N 2.93Å; D617-N619 VanDerWaalsContact C-N 3.31Å; D617-N619 PolarHBondContact O-N 3.4Å
618	L	85.6	Confident	86.5	Confident	53 Å²	53	51.9 Å²	51.9	28%	0.277	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	34.9	-178.2	-57.8	165.2	0	0	0	113.1	D614 N616 R692 L696 I699	D614-L618 CarbonylContact O-C 3.39Å; D614-L618 WeakPolarHBondContact O-CA 3.3Å; D614-L618 PolarHBondContact O-N 3.34Å; D614-L618 VanDerWaalsContact O-N 3.11Å; N616-L618 PolarHBondContact O-N 3.33Å; L618-R692 HydrophobicContact CD2-CG 3.8Å; L618-L696 HydrophobicContact CD1-CD2 3.7Å; L618-L696 HydrophobicContact CD2-CD2 4.1Å; L618-L696 HydrophobicContact CD2-CG 4.07Å; L618-I699 HydrophobicContact CD1-CD1 4.49Å
619	N	85.5	Confident	85.6	Confident	60 Å²	60	56.8 Å²	56.8	32%	0.321	28%	0.284	S	S	.	.			trans	-57	140.2	-178.6	-70.1	-19.8	0	0	0	111.9	D614 D617	D614-N619 HydrophobicContact CB-CB 4.17Å; D614-N619 PolarHBondContact O-N 2.67Å; D614-N619 PolarHBondContact OD1-ND2 3.05Å; D617-N619 VanDerWaalsContact C-N 3.31Å; D617-N619 PolarHBondContact O-N 3.4Å
620	V	88.9	Confident	84.8	Confident	50 Å²	50	55.3 Å²	55.3	30%	0.303	28%	0.28	S	S	.	.	S	Bend	trans	-89.9	-38.4	175.3	-177.1	0	0	0	0	111.2	D650 I651 E652	V620-D650 WeakPolarHBondContact CG1-OD1 3.04Å; V620-I651 WeakPolarHBondContact O-CB 3.33Å; V620-I651 WeakPolarHBondContact O-CD1 3.49Å; V620-I651 VanDerWaalsContact O-CG1 3.29Å; V620-I651 WeakPolarHBondContact O-CG1 3.15Å; V620-I651 PolarHBondContact O-N 3.07Å; V620-E652 HydrophobicContact CG1-CB 4.02Å; V620-E652 HydrophobicContact CG1-CG 3.98Å
621	E	91.4	Very high	84	Confident	121 Å²	121	58 Å²	58	57%	0.565	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	124.1	170.1	-171.6	-169.5	162.9	0	0	109.8	A648	E621-A648 HydrophobicContact CG-CB 4.07Å; E621-A648 VanDerWaalsContact OE1-CB 3.24Å; E621-A648 WeakPolarHBondContact OE1-CB 3.2Å
622	I	91.9	Very high	83.2	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.4	177.1	53.6	168.8	0	0	0	112.4	I608 D614 M624 F649 I651 F688	I608-I622 HydrophobicContact CD1-CD1 3.89Å; I608-I622 HydrophobicContact CG1-CD1 4.29Å; I608-I622 HydrophobicContact CG2-CB 4.29Å; D614-I622 HydrophobicContact CB-CG2 3.93Å; I622-M624 HydrophobicContact CD1-CG 4.33Å; I622-M624 HydrophobicContact CG1-CG 4.37Å; I622-M624 PolarHBondContact O-N 2.72Å; I622-F649 HydrophobicContact CG1-CB 4.24Å; I622-F649 VanDerWaalsContact CG1-O 3.3Å; I622-F649 WeakPolarHBondContact CG1-O 3.28Å; I622-F649 PolarHBondContact N-O 2.74Å; I622-F649 PolarHBondContact O-N 2.91Å; I622-I651 HydrophobicContact CD1-CD1 4.17Å; I622-I651 HydrophobicContact CD1-CG1 3.97Å; I622-I651 HydrophobicContact CG1-CD1 4.18Å; I622-I651 HydrophobicContact CG1-CG1 4Å; I622-I651 HydrophobicContact CG2-CD1 3.64Å; I622-I651 HydrophobicContact CG2-CG1 4.39Å; I622-F688 HydrophobicContact CD1-CG 4.46Å; I622-F688 HydrophobicContact CG2-CD1 4.4Å; I622-F688 HydrophobicContact CG2-CE1 3.92Å; I622-F688 HydrophobicContact CG2-CE2 4.34Å; I622-F688 HydrophobicContact CG2-CZ 3.88Å
623	Q	91.7	Very high	82.7	Confident	76 Å²	76	60.6 Å²	60.6	36%	0.355	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	107.4	178.5	-65.9	-170.2	6.7	0	0	111.2	K609	K609-Q623 HydrophobicContact CB-CB 4.38Å; K609-Q623 PolarHBondContact N-O 2.98Å
624	M	91.1	Very high	82	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	156.6	179	-57	-167.6	98.4	0	0	112.1	V606 E607 I608 I622 Q646 F647 F649 I681 K684 V685	V606-M624 HydrophobicContact CG1-CE 3.8Å; E607-M624 CarbonylContact O-C 3.59Å; E607-M624 WeakPolarHBondContact O-CA 3.43Å; I608-M624 HydrophobicContact CG1-CE 4.13Å; I608-M624 HydrophobicContact CG1-CG 4.47Å; I622-M624 HydrophobicContact CD1-CG 4.33Å; I622-M624 HydrophobicContact CG1-CG 4.37Å; I622-M624 PolarHBondContact O-N 2.72Å; M624-Q646 WeakPolarHBondContact O-CA 3.46Å; M624-Q646 WeakPolarHBondContact O-CG 3.19Å; M624-F647 HydrophobicContact CB-CD1 4.1Å; M624-F647 HydrophobicContact CB-CD2 3.94Å; M624-F647 HydrophobicContact CB-CE1 3.65Å; M624-F647 HydrophobicContact CB-CE2 3.49Å; M624-F647 VanDerWaalsContact CB-CE2 3.49Å; M624-F647 HydrophobicContact CB-CG 4.23Å; M624-F647 HydrophobicContact CB-CZ 3.32Å; M624-F647 HydrophobicContact CG-CE2 3.95Å; M624-F647 HydrophobicContact CG-CZ 4.13Å; M624-F647 PolarHBondContact N-O 3.12Å; M624-F647 PolarHBondContact O-N 2.84Å; M624-F647 VanDerWaalsContact O-O 3.11Å; M624-F647 HydrophobicContact SD-CD2 4.49Å; M624-F647 HydrophobicContact SD-CE2 3.52Å; M624-F647 VanDerWaalsContact SD-CE2 3.52Å; M624-F647 HydrophobicContact SD-CZ 3.8Å; M624-F649 HydrophobicContact CG-CB 4Å; M624-F649 HydrophobicContact SD-CB 3.59Å; M624-F649 VanDerWaalsContact SD-CB 3.59Å; M624-F649 HydrophobicContact SD-CD2 4.19Å; M624-F649 HydrophobicContact SD-CG 3.93Å; M624-I681 HydrophobicContact CE-CG2 4.37Å; M624-I681 HydrophobicContact SD-CG2 4.08Å; M624-K684 HydrophobicContact CE-CB 3.56Å; M624-K684 HydrophobicContact CE-CG 4.3Å; M624-V685 HydrophobicContact CE-CG2 4.22Å; M624-V685 HydrophobicContact SD-CG2 4.47Å
625	Q	89.3	Confident	81.2	Confident	12 Å²	12	70.3 Å²	70.3	6%	0.056	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	120.2	177.3	-167.3	-176.4	18.8	0	0	111.9	V606 E607 K609 R627 E643 L645	V606-Q625 CarbonylContact C-O 3.54Å; V606-Q625 WeakPolarHBondContact CA-O 3.42Å; E607-Q625 PolarHBondContact N-O 3.04Å; E607-Q625 PolarHBondContact O-N 2.91Å; K609-Q625 HydrophobicContact CG-CB 4.15Å; Q625-R627 HydrophobicContact CG-CG 4.32Å; Q625-E643 PolarHBondContact NE2-O 3.4Å; Q625-L645 CarbonylContact C-O 3.56Å; Q625-L645 WeakPolarHBondContact CA-O 3.12Å
626	L	88.4	Confident	80.6	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.9	173.2	-176.5	78.2	0	0	0	110.2	I604 R605 V606 F639 G644 L645 F647 I669 I677	I604-L626 HydrophobicContact CG2-CD1 3.39Å; I604-L626 HydrophobicContact CG2-CG 4.02Å; R605-L626 CarbonylContact O-C 3.57Å; R605-L626 WeakPolarHBondContact O-CA 3.36Å; V606-L626 HydrophobicContact CG2-CD1 3.64Å; L626-F639 HydrophobicContact CD2-CE1 4.27Å; L626-G644 CarbonylContact O-C 3.6Å; L626-G644 VanDerWaalsContact O-CA 3.31Å; L626-G644 WeakPolarHBondContact O-CA 3.5Å; L626-L645 HydrophobicContact CB-CB 4.23Å; L626-L645 HydrophobicContact CD2-CD2 4.14Å; L626-L645 PolarHBondContact N-O 3.21Å; L626-L645 PolarHBondContact O-N 3.25Å; L626-F647 HydrophobicContact CB-CE1 4.24Å; L626-I669 HydrophobicContact CD2-CD1 3.66Å; L626-I669 HydrophobicContact CD2-CG1 4Å; L626-I677 HydrophobicContact CD1-CD1 4.23Å; L626-I677 HydrophobicContact CD1-CG1 4.3Å; L626-I677 HydrophobicContact CD1-CG2 3.9Å; L626-I677 HydrophobicContact CD2-CD1 4.14Å
627	R	82.2	Confident	80.2	Confident	73 Å²	73	69.5 Å²	69.5	28%	0.275	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131	178.5	-64.4	-174.8	-173.1	146.4	10.2	111.4	I604 R605 E607 Q625 Y629	I604-R627 CarbonylContact C-O 3.57Å; I604-R627 VanDerWaalsContact CA-O 3.28Å; I604-R627 WeakPolarHBondContact CA-O 3.45Å; R605-R627 PolarHBondContact N-O 3.47Å; R605-R627 PolarHBondContact O-N 3.44Å; E607-R627 IonicContact OE1-CZ 3.97Å; E607-R627 IonicContact OE1-NH1 2.78Å; E607-R627 PolarHBondContact OE1-NH1 3.12Å; E607-R627 IonicContact OE2-CZ 2.74Å; E607-R627 IonicContact OE2-NE 3.92Å; E607-R627 IonicContact OE2-NH1 3.9Å; E607-R627 PolarHBondContact OE2-NH1 3.12Å; E607-R627 IonicContact OE2-NH2 2.71Å; E607-R627 PolarHBondContact OE2-NH2 2.67Å; Q625-R627 HydrophobicContact CG-CG 4.32Å; R627-Y629 HydrophobicContact CB-CD2 4.29Å; R627-Y629 HydrophobicContact CB-CE2 3.72Å; R627-Y629 PolarHBondContact NH1-OH 2.92Å
628	V	78.5	Confident	79.3	Confident	17 Å²	17	73.3 Å²	73.3	10%	0.103	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111.5	175.2	179	0	0	0	0	109.2	I604 K633 R634 Y637 F639	I604-V628 HydrophobicContact CG1-CB 4.43Å; I604-V628 HydrophobicContact CG1-CG1 4.35Å; I604-V628 HydrophobicContact CG1-CG2 3.92Å; V628-K633 HydrophobicContact CG1-CB 3.93Å; V628-R634 HydrophobicContact CG1-CB 4.37Å; V628-Y637 HydrophobicContact CB-CD2 4.47Å; V628-Y637 HydrophobicContact CG1-CD2 4.2Å; V628-Y637 HydrophobicContact CG2-CD1 3.69Å; V628-Y637 HydrophobicContact CG2-CD2 3.57Å; V628-Y637 HydrophobicContact CG2-CE1 3.92Å; V628-Y637 HydrophobicContact CG2-CE2 3.86Å; V628-Y637 HydrophobicContact CG2-CG 3.51Å; V628-F639 HydrophobicContact CB-CZ 4.24Å; V628-F639 HydrophobicContact CG2-CE1 4.11Å; V628-F639 HydrophobicContact CG2-CE2 4.48Å; V628-F639 HydrophobicContact CG2-CZ 3.56Å
629	Y	71	Confident	78.6	Confident	123 Å²	123	72.8 Å²	72.8	48%	0.482	32%	0.322	S	S	.	.			trans	-88.8	-37.2	178.9	-74.7	-88.6	0	0	0	112.3	G603 R605 R627 E631 R634	G603-Y629 PolarHBondContact O-N 2.98Å; R605-Y629 HydrophobicContact CB-CD2 4.21Å; R605-Y629 HydrophobicContact CB-CE2 3.88Å; R627-Y629 HydrophobicContact CB-CD2 4.29Å; R627-Y629 HydrophobicContact CB-CE2 3.72Å; R627-Y629 PolarHBondContact NH1-OH 2.92Å; Y629-E631 PolarHBondContact O-N 3.04Å; Y629-R634 PolarHBondContact O-NH2 3.18Å; Y629-R634 VanDerWaalsContact O-NH2 3.12Å
630	D	68.8	Low	77.4	Confident	56 Å²	56	76.4 Å²	76.4	30%	0.299	34%	0.335	S	S	.	.			trans	-66.9	116.6	179	177.2	19.7	0	0	0	111.7	G603 K632 K633 R634	G603-D630 PolarHBondContact O-N 2.73Å; D630-K632 PolarHBondContact O-N 3Å; D630-K632 WeakPolarHBondContact OD1-CB 3.36Å; D630-K632 PolarHBondContact OD1-N 2.97Å; D630-K633 HydrophobicContact CB-CB 4.24Å; D630-K633 PolarHBondContact O-N 3.16Å; D630-R634 PolarHBondContact O-N 3.49Å
631	E	68.2	Low	75.7	Confident	133 Å²	133	79.5 Å²	79.5	62%	0.621	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.1	179.4	-171.4	155.4	-101.4	0	0	113.6	Y629 R634	Y629-E631 PolarHBondContact O-N 3.04Å; E631-R634 IonicContact OE1-CZ 3.19Å; E631-R634 IonicContact OE1-NH1 3.75Å; E631-R634 PolarHBondContact OE1-NH1 2.93Å; E631-R634 IonicContact OE1-NH2 3.88Å
632	K	68.9	Low	73.9	Confident	174 Å²	174	81.3 Å²	81.3	76%	0.757	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-50	171.7	-61.1	173.2	-177.2	171.8	0	110.6	D630 R634	D630-K632 PolarHBondContact O-N 3Å; D630-K632 WeakPolarHBondContact OD1-CB 3.36Å; D630-K632 PolarHBondContact OD1-N 2.97Å; K632-R634 VanDerWaalsContact C-N 3.34Å; K632-R634 PolarHBondContact O-N 3.16Å
633	K	70	Confident	72.6	Confident	40 Å²	40	86.7 Å²	86.7	17%	0.174	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-66	-31	176.1	-76.6	-169	168.2	-161.1	0	113.6	I602 I604 V628 D630 K635 Q636 Y637 D673	I602-K633 PolarHBondContact O-NZ 3.45Å; I604-K633 HydrophobicContact CD1-CD 4Å; I604-K633 HydrophobicContact CG1-CD 4.49Å; V628-K633 HydrophobicContact CG1-CB 3.93Å; D630-K633 HydrophobicContact CB-CB 4.24Å; D630-K633 PolarHBondContact O-N 3.16Å; K633-K635 PolarHBondContact O-N 3.29Å; K633-Q636 WeakPolarHBondContact O-CB 3.11Å; K633-Q636 PolarHBondContact O-N 2.77Å; K633-Y637 HydrophobicContact CB-CE2 4.35Å; K633-Y637 WeakPolarHBondContact O-CD2 3.39Å; K633-D673 IonicContact NZ-OD1 3.86Å; K633-D673 PolarHBondContact NZ-OD1 3.03Å; K633-D673 IonicContact NZ-OD2 3.6Å; K633-D673 PolarHBondContact NZ-OD2 3.07Å
634	R	68.8	Low	71.9	Confident	71 Å²	71	83.9 Å²	83.9	27%	0.268	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-52.1	-24	-175.8	-158.2	-177.5	-61.3	143.3	10.8	114.7	V628 Y629 D630 E631 K632 E641	V628-R634 HydrophobicContact CG1-CB 4.37Å; Y629-R634 PolarHBondContact O-NH2 3.18Å; Y629-R634 VanDerWaalsContact O-NH2 3.12Å; D630-R634 PolarHBondContact O-N 3.49Å; E631-R634 IonicContact OE1-CZ 3.19Å; E631-R634 IonicContact OE1-NH1 3.75Å; E631-R634 PolarHBondContact OE1-NH1 2.93Å; E631-R634 IonicContact OE1-NH2 3.88Å; K632-R634 VanDerWaalsContact C-N 3.34Å; K632-R634 PolarHBondContact O-N 3.16Å; R634-E641 WeakPolarHBondContact CD-OE1 3.39Å; R634-E641 IonicContact CZ-OE1 2.75Å; R634-E641 IonicContact NE-OE1 2.8Å; R634-E641 IonicContact NH1-OE1 3.88Å; R634-E641 PolarHBondContact NH1-OE1 2.97Å
635	K	69.8	Low	71.6	Confident	189 Å²	189	84.8 Å²	84.8	82%	0.822	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-80.1	-16.6	176.6	-61.9	-176.8	-178.2	179.7	0	115.2	K633	K633-K635 PolarHBondContact O-N 3.29Å
636	Q	72.3	Confident	71.6	Confident	86 Å²	86	88.3 Å²	88.3	40%	0.402	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-25.6	-178.4	-162.8	176.7	-9.8	0	0	111.7	K633 P670 E672	K633-Q636 WeakPolarHBondContact O-CB 3.11Å; K633-Q636 PolarHBondContact O-N 2.77Å; Q636-P670 HydrophobicContact CG-CB 3.79Å; Q636-P670 HydrophobicContact CG-CG 3.84Å; Q636-E672 PolarHBondContact NE2-OE2 2.78Å
637	Y	75.8	Confident	71.7	Confident	12 Å²	12	89.5 Å²	89.5	5%	0.047	40%	0.402	C	S	.	.			trans	-84.8	145.6	175.2	-71.4	-97.1	0	0	0	111.3	I604 V628 K633 F639 H668 I669 P670 D673 I677	I604-Y637 HydrophobicContact CD1-CE2 4.19Å; I604-Y637 WeakPolarHBondContact CD1-OH 3.47Å; V628-Y637 HydrophobicContact CB-CD2 4.47Å; V628-Y637 HydrophobicContact CG1-CD2 4.2Å; V628-Y637 HydrophobicContact CG2-CD1 3.69Å; V628-Y637 HydrophobicContact CG2-CD2 3.57Å; V628-Y637 HydrophobicContact CG2-CE1 3.92Å; V628-Y637 HydrophobicContact CG2-CE2 3.86Å; V628-Y637 HydrophobicContact CG2-CG 3.51Å; K633-Y637 HydrophobicContact CB-CE2 4.35Å; K633-Y637 WeakPolarHBondContact O-CD2 3.39Å; Y637-F639 HydrophobicContact CD1-CD1 4.31Å; Y637-F639 AromaticContact CD1-CE1 3.64Å; Y637-F639 HydrophobicContact CD1-CE1 3.64Å; Y637-F639 HydrophobicContact CD1-CZ 4.39Å; Y637-F639 HydrophobicContact CG-CE1 4.19Å; Y637-H668 WeakPolarHBondContact CD1-O 3.22Å; Y637-I669 HydrophobicContact CE1-CB 4.44Å; Y637-I669 HydrophobicContact CE1-CG1 4.18Å; Y637-I669 HydrophobicContact CE1-CG2 4.37Å; Y637-P670 VanDerWaalsContact CE1-CD 3.5Å; Y637-P670 HydrophobicContact CE1-CG 4.42Å; Y637-P670 HydrophobicContact CE2-CG 3.98Å; Y637-P670 VanDerWaalsContact CZ-CD 3.45Å; Y637-D673 VanDerWaalsContact OH-CB 3.22Å; Y637-D673 WeakPolarHBondContact OH-CB 3.27Å; Y637-D673 VanDerWaalsContact OH-CG 3.31Å; Y637-D673 PolarHBondContact OH-OD2 3.2Å; Y637-I677 HydrophobicContact CE1-CD1 4.11Å; Y637-I677 WeakPolarHBondContact OH-CD1 3.31Å
638	R	67.2	Low	72.2	Confident	194 Å²	194	88.2 Å²	88.2	73%	0.732	41%	0.408	S	S	*	.			trans	-100.1	-9.3	-174.1	-64.6	-61.3	-171.1	163.6	1.8	115.5	Q667	R638-Q667 WeakPolarHBondContact CB-O 3.1Å; R638-Q667 WeakPolarHBondContact CG-O 3.43Å
639	F	70.7	Confident	73	Confident	42 Å²	42	87.5 Å²	87.5	18%	0.184	40%	0.403	C	S	.	.	S	Bend	trans	-78.2	157.7	176.9	62.9	-103.9	0	0	0	112.1	L626 V628 Y637 L645	L626-F639 HydrophobicContact CD2-CE1 4.27Å; V628-F639 HydrophobicContact CB-CZ 4.24Å; V628-F639 HydrophobicContact CG2-CE1 4.11Å; V628-F639 HydrophobicContact CG2-CE2 4.48Å; V628-F639 HydrophobicContact CG2-CZ 3.56Å; Y637-F639 HydrophobicContact CD1-CD1 4.31Å; Y637-F639 AromaticContact CD1-CE1 3.64Å; Y637-F639 HydrophobicContact CD1-CE1 3.64Å; Y637-F639 HydrophobicContact CD1-CZ 4.39Å; Y637-F639 HydrophobicContact CG-CE1 4.19Å; F639-L645 HydrophobicContact CB-CB 4.49Å; F639-L645 HydrophobicContact CD1-CB 3.68Å; F639-L645 HydrophobicContact CE1-CB 3.93Å; F639-L645 HydrophobicContact CG-CB 4.09Å
640	K	61.1	Low	74	Confident	135 Å²	135	83.4 Å²	83.4	59%	0.587	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-62.1	140.3	-176.1	-78.7	168.4	170.7	-177.8	0	112.9	N642 E643	K640-N642 PolarHBondContact O-N 3.35Å; K640-E643 HydrophobicContact CB-CB 4.34Å; K640-E643 WeakPolarHBondContact CD-OE2 3.28Å; K640-E643 VanDerWaalsContact NZ-CD 3.34Å; K640-E643 IonicContact NZ-OE1 3.52Å; K640-E643 PolarHBondContact NZ-OE1 2.89Å; K640-E643 VanDerWaalsContact NZ-OE1 3.09Å; K640-E643 IonicContact NZ-OE2 3.83Å; K640-E643 PolarHBondContact NZ-OE2 3.04Å; K640-E643 PolarHBondContact O-N 3.45Å
641	E	52.2	Low	75	Confident	115 Å²	115	80.7 Å²	80.7	54%	0.537	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	132.9	167.2	-171.5	158.9	-133	0	0	110.8	R634 E643	R634-E641 WeakPolarHBondContact CD-OE1 3.39Å; R634-E641 IonicContact CZ-OE1 2.75Å; R634-E641 IonicContact NE-OE1 2.8Å; R634-E641 IonicContact NH1-OE1 3.88Å; R634-E641 PolarHBondContact NH1-OE1 2.97Å; E641-E643 VanDerWaalsContact C-N 3.34Å; E641-E643 PolarHBondContact O-N 3.28Å
642	N	54.7	Low	76	Confident	160 Å²	160	79.7 Å²	79.7	86%	0.856	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	-25.3	-175.4	-43.3	-67.4	0	0	0	118.2	K640	K640-N642 PolarHBondContact O-N 3.35Å
643	E	64.3	Low	77	Confident	113 Å²	113	77.6 Å²	77.6	53%	0.528	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-29.5	-175.6	-72.6	179.6	-176.4	0	0	113.8	Q625 K640 E641	Q625-E643 PolarHBondContact NE2-O 3.4Å; K640-E643 HydrophobicContact CB-CB 4.34Å; K640-E643 WeakPolarHBondContact CD-OE2 3.28Å; K640-E643 VanDerWaalsContact NZ-CD 3.34Å; K640-E643 IonicContact NZ-OE1 3.52Å; K640-E643 PolarHBondContact NZ-OE1 2.89Å; K640-E643 VanDerWaalsContact NZ-OE1 3.09Å; K640-E643 IonicContact NZ-OE2 3.83Å; K640-E643 PolarHBondContact NZ-OE2 3.04Å; K640-E643 PolarHBondContact O-N 3.45Å; E641-E643 VanDerWaalsContact C-N 3.34Å; E641-E643 PolarHBondContact O-N 3.28Å
644	G	75.8	Confident	78.1	Confident	16 Å²	16	78.4 Å²	78.4	17%	0.165	37%	0.374	C	S	.	.			trans	71.9	159.2	-177.6	0	0	0	0	0	113.9	L626 Q646	L626-G644 CarbonylContact O-C 3.6Å; L626-G644 VanDerWaalsContact O-CA 3.31Å; L626-G644 WeakPolarHBondContact O-CA 3.5Å; G644-Q646 PolarHBondContact O-N 3.2Å
645	L	85.6	Confident	79.2	Confident	19 Å²	19	76.8 Å²	76.8	10%	0.099	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	107.3	171.4	176.4	71.5	0	0	0	108.6	Q625 L626 F639 M663 H668 I669	Q625-L645 CarbonylContact C-O 3.56Å; Q625-L645 WeakPolarHBondContact CA-O 3.12Å; L626-L645 HydrophobicContact CB-CB 4.23Å; L626-L645 HydrophobicContact CD2-CD2 4.14Å; L626-L645 PolarHBondContact N-O 3.21Å; L626-L645 PolarHBondContact O-N 3.25Å; F639-L645 HydrophobicContact CB-CB 4.49Å; F639-L645 HydrophobicContact CD1-CB 3.68Å; F639-L645 HydrophobicContact CE1-CB 3.93Å; F639-L645 HydrophobicContact CG-CB 4.09Å; L645-M663 HydrophobicContact CD2-CB 4.48Å; L645-M663 HydrophobicContact CD2-CE 4.34Å; L645-M663 HydrophobicContact CD2-CG 3.99Å; L645-M663 HydrophobicContact CD2-SD 3.89Å; L645-H668 HydrophobicContact CD1-CB 4.15Å; L645-H668 HydrophobicContact CD2-CB 3.83Å; L645-I669 HydrophobicContact CD2-CD1 4.46Å; L645-I669 HydrophobicContact CD2-CG1 4.45Å
646	Q	89	Confident	80.3	Confident	86 Å²	86	68.9 Å²	68.9	40%	0.402	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	140.5	169.4	175.5	173.3	-4.2	0	0	110.1	K609 M624 G644	K609-Q646 HydrophobicContact CD-CG 4.5Å; M624-Q646 WeakPolarHBondContact O-CA 3.46Å; M624-Q646 WeakPolarHBondContact O-CG 3.19Å; G644-Q646 PolarHBondContact O-N 3.2Å
647	F	91.7	Very high	81.2	Confident	25 Å²	25	69.7 Å²	69.7	11%	0.11	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	157.9	175.8	58	-77.1	0	0	0	109.8	V606 M624 L626 V659 M663 I681	V606-F647 HydrophobicContact CG1-CZ 4.47Å; M624-F647 HydrophobicContact CB-CD1 4.1Å; M624-F647 HydrophobicContact CB-CD2 3.94Å; M624-F647 HydrophobicContact CB-CE1 3.65Å; M624-F647 HydrophobicContact CB-CE2 3.49Å; M624-F647 VanDerWaalsContact CB-CE2 3.49Å; M624-F647 HydrophobicContact CB-CG 4.23Å; M624-F647 HydrophobicContact CB-CZ 3.32Å; M624-F647 HydrophobicContact CG-CE2 3.95Å; M624-F647 HydrophobicContact CG-CZ 4.13Å; M624-F647 PolarHBondContact N-O 3.12Å; M624-F647 PolarHBondContact O-N 2.84Å; M624-F647 VanDerWaalsContact O-O 3.11Å; M624-F647 HydrophobicContact SD-CD2 4.49Å; M624-F647 HydrophobicContact SD-CE2 3.52Å; M624-F647 VanDerWaalsContact SD-CE2 3.52Å; M624-F647 HydrophobicContact SD-CZ 3.8Å; L626-F647 HydrophobicContact CB-CE1 4.24Å; F647-V659 HydrophobicContact CD2-CG1 3.91Å; F647-V659 HydrophobicContact CE2-CG1 3.99Å; F647-M663 HydrophobicContact CB-CE 3.8Å; F647-M663 HydrophobicContact CD1-CE 3.37Å; F647-M663 HydrophobicContact CD2-CE 3.34Å; F647-M663 HydrophobicContact CE1-CE 3.66Å; F647-M663 HydrophobicContact CE2-CE 3.62Å; F647-M663 HydrophobicContact CG-CE 3.22Å; F647-M663 HydrophobicContact CZ-CE 3.77Å; F647-I681 HydrophobicContact CE2-CD1 3.78Å; F647-I681 HydrophobicContact CE2-CG1 4.37Å; F647-I681 HydrophobicContact CZ-CD1 3.56Å; F647-I681 HydrophobicContact CZ-CG1 3.94Å
648	A	92.2	Very high	82	Confident	47 Å²	47	75 Å²	75	39%	0.388	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	155.7	165.2	0	0	0	0	0	109.5	E621	E621-A648 HydrophobicContact CG-CB 4.07Å; E621-A648 VanDerWaalsContact OE1-CB 3.24Å; E621-A648 WeakPolarHBondContact OE1-CB 3.2Å
649	F	94.5	Very high	83.2	Confident	1 Å²	1	66.2 Å²	66.2	0%	0.004	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	123	170.2	-170.3	-77	0	0	0	108.8	I622 M624 D654 P656 V659 I681 V685	I622-F649 HydrophobicContact CG1-CB 4.24Å; I622-F649 VanDerWaalsContact CG1-O 3.3Å; I622-F649 WeakPolarHBondContact CG1-O 3.28Å; I622-F649 PolarHBondContact N-O 2.74Å; I622-F649 PolarHBondContact O-N 2.91Å; M624-F649 HydrophobicContact CG-CB 4Å; M624-F649 HydrophobicContact SD-CB 3.59Å; M624-F649 VanDerWaalsContact SD-CB 3.59Å; M624-F649 HydrophobicContact SD-CD2 4.19Å; M624-F649 HydrophobicContact SD-CG 3.93Å; F649-D654 WeakPolarHBondContact CA-OD2 3.4Å; F649-D654 HydrophobicContact CD1-CB 4.18Å; F649-D654 HydrophobicContact CD2-CB 4.08Å; F649-D654 HydrophobicContact CE1-CB 3.85Å; F649-D654 HydrophobicContact CE2-CB 3.76Å; F649-D654 HydrophobicContact CG-CB 4.27Å; F649-D654 HydrophobicContact CZ-CB 3.63Å; F649-D654 VanDerWaalsContact CZ-O 3.3Å; F649-D654 WeakPolarHBondContact CZ-O 3.34Å; F649-P656 HydrophobicContact CE2-CB 4.47Å; F649-V659 HydrophobicContact CD2-CB 4.36Å; F649-V659 HydrophobicContact CD2-CG1 4.28Å; F649-V659 HydrophobicContact CD2-CG2 3.89Å; F649-V659 HydrophobicContact CE2-CB 4.31Å; F649-V659 HydrophobicContact CE2-CG2 3.86Å; F649-I681 HydrophobicContact CD2-CG2 3.83Å; F649-I681 HydrophobicContact CE2-CG2 3.7Å; F649-V685 HydrophobicContact CD1-CG2 3.64Å; F649-V685 HydrophobicContact CE1-CB 4.31Å; F649-V685 HydrophobicContact CE1-CG1 3.9Å; F649-V685 HydrophobicContact CE1-CG2 3.46Å; F649-V685 VanDerWaalsContact CE1-CG2 3.46Å; F649-V685 HydrophobicContact CE2-CG2 4.35Å; F649-V685 HydrophobicContact CG-CG2 4.19Å; F649-V685 HydrophobicContact CZ-CG2 3.85Å
650	D	92.7	Very high	84.2	Confident	37 Å²	37	64.2 Å²	64.2	20%	0.198	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	116.7	172.6	-174.3	-47.1	0	0	0	110.2	V620 E652 N653 D654	V620-D650 WeakPolarHBondContact CG1-OD1 3.04Å; D650-E652 PolarHBondContact O-N 3.41Å; D650-E652 VanDerWaalsContact O-N 3.15Å; D650-E652 PolarHBondContact OD1-N 2.98Å; D650-N653 HydrophobicContact CB-CB 4.14Å; D650-N653 VanDerWaalsContact CG-ND2 3.28Å; D650-N653 PolarHBondContact OD1-N 3.36Å; D650-N653 PolarHBondContact OD1-ND2 2.95Å; D650-N653 PolarHBondContact OD2-ND2 2.84Å; D650-D654 HydrophobicContact CB-CB 4.36Å; D650-D654 PolarHBondContact N-OD2 2.88Å; D650-D654 WeakPolarHBondContact O-CB 3.33Å; D650-D654 PolarHBondContact O-N 3.32Å
651	I	90.5	Very high	85.6	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.9	-175.3	-68.1	161.1	0	0	0	113	V620 I622 F688 R689	V620-I651 WeakPolarHBondContact O-CB 3.33Å; V620-I651 WeakPolarHBondContact O-CD1 3.49Å; V620-I651 VanDerWaalsContact O-CG1 3.29Å; V620-I651 WeakPolarHBondContact O-CG1 3.15Å; V620-I651 PolarHBondContact O-N 3.07Å; I622-I651 HydrophobicContact CD1-CD1 4.17Å; I622-I651 HydrophobicContact CD1-CG1 3.97Å; I622-I651 HydrophobicContact CG1-CD1 4.18Å; I622-I651 HydrophobicContact CG1-CG1 4Å; I622-I651 HydrophobicContact CG2-CD1 3.64Å; I622-I651 HydrophobicContact CG2-CG1 4.39Å; I651-F688 HydrophobicContact CD1-CD1 3.4Å; I651-F688 HydrophobicContact CD1-CE1 3.4Å; I651-F688 HydrophobicContact CG1-CD1 4.39Å; I651-R689 HydrophobicContact CG2-CG 3.55Å; I651-R689 PolarHBondContact O-NE 2.99Å; I651-R689 PolarHBondContact O-NH2 2.93Å
652	E	89.3	Confident	87.4	Confident	112 Å²	112	62.2 Å²	62.2	52%	0.523	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-29.8	-173.3	-67.2	179.1	-173.5	0	0	112.5	V620 D650 R692	V620-E652 HydrophobicContact CG1-CB 4.02Å; V620-E652 HydrophobicContact CG1-CG 3.98Å; D650-E652 PolarHBondContact O-N 3.41Å; D650-E652 VanDerWaalsContact O-N 3.15Å; D650-E652 PolarHBondContact OD1-N 2.98Å; E652-R692 IonicContact OE1-CZ 2.73Å; E652-R692 IonicContact OE1-NH1 3.44Å; E652-R692 PolarHBondContact OE1-NH1 3.27Å; E652-R692 IonicContact OE1-NH2 3.97Å; E652-R692 PolarHBondContact OE1-NH2 2.85Å
653	N	89.4	Confident	89	Confident	129 Å²	129	54.9 Å²	54.9	69%	0.69	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-31.7	-177.8	-60.4	-63.6	0	0	0	114.9	D650	D650-N653 HydrophobicContact CB-CB 4.14Å; D650-N653 VanDerWaalsContact CG-ND2 3.28Å; D650-N653 PolarHBondContact OD1-N 3.36Å; D650-N653 PolarHBondContact OD1-ND2 2.95Å; D650-N653 PolarHBondContact OD2-ND2 2.84Å
654	D	92.7	Very high	90.1	Very high	57 Å²	57	50.6 Å²	50.6	31%	0.305	27%	0.267	S	S	.	.			trans	-84.7	141.6	-172.5	-76.7	-25.8	0	0	0	113.8	F649 D650 V659	F649-D654 WeakPolarHBondContact CA-OD2 3.4Å; F649-D654 HydrophobicContact CD1-CB 4.18Å; F649-D654 HydrophobicContact CD2-CB 4.08Å; F649-D654 HydrophobicContact CE1-CB 3.85Å; F649-D654 HydrophobicContact CE2-CB 3.76Å; F649-D654 HydrophobicContact CG-CB 4.27Å; F649-D654 HydrophobicContact CZ-CB 3.63Å; F649-D654 VanDerWaalsContact CZ-O 3.3Å; F649-D654 WeakPolarHBondContact CZ-O 3.34Å; D650-D654 HydrophobicContact CB-CB 4.36Å; D650-D654 PolarHBondContact N-OD2 2.88Å; D650-D654 WeakPolarHBondContact O-CB 3.33Å; D650-D654 PolarHBondContact O-N 3.32Å; D654-V659 HydrophobicContact CB-CG2 3.99Å
655	S	91.9	Very high	90.7	Very high	38 Å²	38	57.2 Å²	57.2	27%	0.266	29%	0.293	S	S	.	.			trans	-96.8	131.1	169	177.1	0	0	0	0	110.8	D657 E658 V659	S655-D657 PolarHBondContact O-N 3.49Å; S655-E658 PolarHBondContact O-N 2.86Å; S655-E658 VanDerWaalsContact O-N 3.15Å; S655-V659 WeakPolarHBondContact O-CG2 3.29Å; S655-V659 PolarHBondContact O-N 2.83Å
656	P	92.2	Very high	90.7	Very high	22 Å²	22	61.5 Å²	61.5	14%	0.143	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-30.9	179.8	26.9	-34.6	0	0	0	112.8	F649 V660 T678 I681 K682	F649-P656 HydrophobicContact CE2-CB 4.47Å; P656-V660 WeakPolarHBondContact O-CG2 3.4Å; P656-V660 PolarHBondContact O-N 2.84Å; P656-T678 HydrophobicContact CB-CG2 4.35Å; P656-I681 HydrophobicContact CB-CB 4.3Å; P656-I681 HydrophobicContact CB-CG2 3.97Å; P656-K682 HydrophobicContact CB-CB 4.22Å; P656-K682 HydrophobicContact CG-CB 4.05Å; P656-K682 HydrophobicContact CG-CG 4.48Å
657	D	91.9	Very high	90.1	Very high	104 Å²	104	64.1 Å²	64.1	56%	0.556	33%	0.325	S	S	*	.	H	α-helix	trans	-67.8	-40.8	175.5	-66.5	-103.8	0	0	0	111.4	S655 Q661 T678	S655-D657 PolarHBondContact O-N 3.49Å; D657-Q661 WeakPolarHBondContact O-CB 3.36Å; D657-Q661 PolarHBondContact O-N 2.7Å; D657-T678 HydrophobicContact CB-CG2 4.23Å; D657-T678 VanDerWaalsContact CG-CG2 3.49Å; D657-T678 WeakPolarHBondContact OD1-CG2 3.2Å
658	E	92.1	Very high	89.5	Confident	122 Å²	122	65.7 Å²	65.7	57%	0.57	33%	0.333	S	S	*	.	H	α-helix	trans	-72.1	-42.5	-179.9	-65.3	-179.8	-176.7	0	0	111.9	S655 V660 Q661 Q662	S655-E658 PolarHBondContact O-N 2.86Å; S655-E658 VanDerWaalsContact O-N 3.15Å; E658-V660 VanDerWaalsContact C-N 3.31Å; E658-V660 PolarHBondContact O-N 3.24Å; E658-Q661 PolarHBondContact O-N 2.98Å; E658-Q661 VanDerWaalsContact O-N 3.12Å; E658-Q662 WeakPolarHBondContact O-CG 3.43Å; E658-Q662 PolarHBondContact O-N 2.81Å
659	V	92.6	Very high	89.1	Confident	10 Å²	10	63.8 Å²	63.8	6%	0.061	32%	0.316	C	S	.	.	H	α-helix	trans	-60.4	-40.8	175.8	169.8	0	0	0	0	111.1	F647 F649 D654 S655 Q662 M663 I681	F647-V659 HydrophobicContact CD2-CG1 3.91Å; F647-V659 HydrophobicContact CE2-CG1 3.99Å; F649-V659 HydrophobicContact CD2-CB 4.36Å; F649-V659 HydrophobicContact CD2-CG1 4.28Å; F649-V659 HydrophobicContact CD2-CG2 3.89Å; F649-V659 HydrophobicContact CE2-CB 4.31Å; F649-V659 HydrophobicContact CE2-CG2 3.86Å; D654-V659 HydrophobicContact CB-CG2 3.99Å; S655-V659 WeakPolarHBondContact O-CG2 3.29Å; S655-V659 PolarHBondContact O-N 2.83Å; V659-Q662 PolarHBondContact O-N 3.06Å; V659-M663 HydrophobicContact CG1-CE 3.54Å; V659-M663 VanDerWaalsContact O-CG 3.31Å; V659-M663 WeakPolarHBondContact O-CG 3.35Å; V659-M663 PolarHBondContact O-N 2.81Å; V659-I681 HydrophobicContact CG1-CD1 4.36Å
660	V	91.8	Very high	88.5	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-70.1	-37.1	174	176.2	0	0	0	0	111.9	P656 E658 Q662 M663 I664 T674 I677 I681	P656-V660 WeakPolarHBondContact O-CG2 3.4Å; P656-V660 PolarHBondContact O-N 2.84Å; E658-V660 VanDerWaalsContact C-N 3.31Å; E658-V660 PolarHBondContact O-N 3.24Å; V660-Q662 VanDerWaalsContact C-N 3.3Å; V660-Q662 PolarHBondContact O-N 3.05Å; V660-M663 WeakPolarHBondContact O-CB 3.5Å; V660-M663 PolarHBondContact O-N 3.19Å; V660-M663 VanDerWaalsContact O-N 3.14Å; V660-I664 HydrophobicContact CG1-CD1 3.95Å; V660-I664 HydrophobicContact CG1-CG1 4.49Å; V660-I664 WeakPolarHBondContact O-CG1 3.49Å; V660-I664 PolarHBondContact O-N 2.66Å; V660-T674 HydrophobicContact CG1-CG2 3.99Å; V660-I677 HydrophobicContact CG2-CG2 3.98Å; V660-I681 HydrophobicContact CG2-CD1 3.7Å
661	Q	90.4	Very high	88	Confident	111 Å²	111	68.3 Å²	68.3	52%	0.519	34%	0.341	S	S	.	.	H	α-helix	trans	-62.3	-37.1	176.3	-172.3	55.8	81.7	0	0	112.3	D657 E658 I664 E665	D657-Q661 WeakPolarHBondContact O-CB 3.36Å; D657-Q661 PolarHBondContact O-N 2.7Å; E658-Q661 PolarHBondContact O-N 2.98Å; E658-Q661 VanDerWaalsContact O-N 3.12Å; Q661-I664 PolarHBondContact O-N 2.87Å; Q661-E665 PolarHBondContact O-N 2.91Å
662	Q	89.9	Confident	87.6	Confident	97 Å²	97	74.8 Å²	74.8	45%	0.453	37%	0.371	S	S	.	.	H	α-helix	trans	-65.6	-40.4	171.8	-67.8	176.8	36.6	0	0	112.2	E658 V659 V660 I664 E665 Q666	E658-Q662 WeakPolarHBondContact O-CG 3.43Å; E658-Q662 PolarHBondContact O-N 2.81Å; V659-Q662 PolarHBondContact O-N 3.06Å; V660-Q662 VanDerWaalsContact C-N 3.3Å; V660-Q662 PolarHBondContact O-N 3.05Å; Q662-I664 VanDerWaalsContact C-N 3.27Å; Q662-I664 PolarHBondContact O-N 3.45Å; Q662-E665 PolarHBondContact O-N 2.85Å; Q662-Q666 WeakPolarHBondContact O-CB 3.42Å; Q662-Q666 VanDerWaalsContact O-CG 3.23Å; Q662-Q666 WeakPolarHBondContact O-CG 3.26Å; Q662-Q666 PolarHBondContact O-N 3.1Å
663	M	88.4	Confident	87.2	Confident	7 Å²	7	70.1 Å²	70.1	3%	0.034	35%	0.35	C	S	.	.	H	α-helix	trans	-65.6	-28.8	176.3	-67	170.3	-176.3	0	0	113.3	L645 F647 V659 V660 Q667 H668 I669 I681	L645-M663 HydrophobicContact CD2-CB 4.48Å; L645-M663 HydrophobicContact CD2-CE 4.34Å; L645-M663 HydrophobicContact CD2-CG 3.99Å; L645-M663 HydrophobicContact CD2-SD 3.89Å; F647-M663 HydrophobicContact CB-CE 3.8Å; F647-M663 HydrophobicContact CD1-CE 3.37Å; F647-M663 HydrophobicContact CD2-CE 3.34Å; F647-M663 HydrophobicContact CE1-CE 3.66Å; F647-M663 HydrophobicContact CE2-CE 3.62Å; F647-M663 HydrophobicContact CG-CE 3.22Å; F647-M663 HydrophobicContact CZ-CE 3.77Å; V659-M663 HydrophobicContact CG1-CE 3.54Å; V659-M663 VanDerWaalsContact O-CG 3.31Å; V659-M663 WeakPolarHBondContact O-CG 3.35Å; V659-M663 PolarHBondContact O-N 2.81Å; V660-M663 WeakPolarHBondContact O-CB 3.5Å; V660-M663 PolarHBondContact O-N 3.19Å; V660-M663 VanDerWaalsContact O-N 3.14Å; M663-Q667 PolarHBondContact O-N 2.89Å; M663-H668 PolarHBondContact O-N 3.01Å; M663-I669 HydrophobicContact CB-CB 4.41Å; M663-I669 HydrophobicContact CB-CD1 3.56Å; M663-I669 HydrophobicContact CB-CG1 3.94Å; M663-I669 HydrophobicContact CG-CD1 4.1Å; M663-I669 PolarHBondContact O-N 2.96Å; M663-I669 HydrophobicContact SD-CD1 3.44Å; M663-I669 WeakPolarHBondContact SD-CD1 3.25Å; M663-I681 HydrophobicContact CE-CD1 4.35Å
664	I	88.1	Confident	87.1	Confident	22 Å²	22	65.7 Å²	65.7	11%	0.113	33%	0.327	C	S	.	.	H	α-helix	trans	-73.2	-45.9	172.5	-69.2	161.6	0	0	0	110.3	V660 Q661 Q662 Q666 Q667 I669 D671 T674	V660-I664 HydrophobicContact CG1-CD1 3.95Å; V660-I664 HydrophobicContact CG1-CG1 4.49Å; V660-I664 WeakPolarHBondContact O-CG1 3.49Å; V660-I664 PolarHBondContact O-N 2.66Å; Q661-I664 PolarHBondContact O-N 2.87Å; Q662-I664 VanDerWaalsContact C-N 3.27Å; Q662-I664 PolarHBondContact O-N 3.45Å; I664-Q666 VanDerWaalsContact C-N 3.29Å; I664-Q666 PolarHBondContact O-N 2.95Å; I664-Q667 WeakPolarHBondContact O-CA 3.31Å; I664-Q667 PolarHBondContact O-N 2.99Å; I664-I669 HydrophobicContact CG1-CB 4.31Å; I664-I669 HydrophobicContact CG1-CG2 4.29Å; I664-D671 WeakPolarHBondContact CG2-OD1 3.22Å; I664-T674 HydrophobicContact CD1-CG2 3.7Å; I664-T674 WeakPolarHBondContact CD1-OG1 3.34Å
665	E	88	Confident	86.7	Confident	156 Å²	156	73.1 Å²	73.1	73%	0.729	35%	0.351	S	S	*	.	H	α-helix	trans	-60	-39.1	176.4	-174.2	172.5	-162.1	0	0	112	Q661 Q662 Q667	Q661-E665 PolarHBondContact O-N 2.91Å; Q662-E665 PolarHBondContact O-N 2.85Å; E665-Q667 PolarHBondContact O-N 2.96Å
666	Q	84.9	Confident	86.3	Confident	109 Å²	109	73.6 Å²	73.6	51%	0.509	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	1.4	172.5	-65.4	168.1	14	0	0	113.9	Q662 I664 H668	Q662-Q666 WeakPolarHBondContact O-CB 3.42Å; Q662-Q666 VanDerWaalsContact O-CG 3.23Å; Q662-Q666 WeakPolarHBondContact O-CG 3.26Å; Q662-Q666 PolarHBondContact O-N 3.1Å; I664-Q666 VanDerWaalsContact C-N 3.29Å; I664-Q666 PolarHBondContact O-N 2.95Å; Q666-H668 PolarHBondContact O-N 2.86Å; Q666-H668 PolarHBondContact OE1-CD2 3.2Å
667	Q	76.9	Confident	86.1	Confident	140 Å²	140	72.5 Å²	72.5	65%	0.654	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	26.1	-178.2	-55.2	-171.5	2.1	0	0	114.8	R638 M663 I664 E665	R638-Q667 WeakPolarHBondContact CB-O 3.1Å; R638-Q667 WeakPolarHBondContact CG-O 3.43Å; M663-Q667 PolarHBondContact O-N 2.89Å; I664-Q667 WeakPolarHBondContact O-CA 3.31Å; I664-Q667 PolarHBondContact O-N 2.99Å; E665-Q667 PolarHBondContact O-N 2.96Å
668	H	79.3	Confident	86	Confident	58 Å²	58	68.1 Å²	68.1	27%	0.269	32%	0.32	S	S	.	.	S	Bend	trans	-80.7	-28.3	176.1	-67.4	-35.8	0	0	0	112.9	Y637 L645 M663 Q666	Y637-H668 WeakPolarHBondContact CD1-O 3.22Å; L645-H668 HydrophobicContact CD1-CB 4.15Å; L645-H668 HydrophobicContact CD2-CB 3.83Å; M663-H668 PolarHBondContact O-N 3.01Å; Q666-H668 PolarHBondContact O-N 2.86Å; Q666-H668 PolarHBondContact OE1-CD2 3.2Å
669	I	82.4	Confident	85.7	Confident	7 Å²	7	68.3 Å²	68.3	4%	0.036	32%	0.319	C	S	.	.	S	Bend	trans	-126.1	141.6	-174.7	-64.4	-177.5	0	0	0	110.1	L626 Y637 L645 M663 I664 I677	L626-I669 HydrophobicContact CD2-CD1 3.66Å; L626-I669 HydrophobicContact CD2-CG1 4Å; Y637-I669 HydrophobicContact CE1-CB 4.44Å; Y637-I669 HydrophobicContact CE1-CG1 4.18Å; Y637-I669 HydrophobicContact CE1-CG2 4.37Å; L645-I669 HydrophobicContact CD2-CD1 4.46Å; L645-I669 HydrophobicContact CD2-CG1 4.45Å; M663-I669 HydrophobicContact CB-CB 4.41Å; M663-I669 HydrophobicContact CB-CD1 3.56Å; M663-I669 HydrophobicContact CB-CG1 3.94Å; M663-I669 HydrophobicContact CG-CD1 4.1Å; M663-I669 PolarHBondContact O-N 2.96Å; M663-I669 HydrophobicContact SD-CD1 3.44Å; M663-I669 WeakPolarHBondContact SD-CD1 3.25Å; I664-I669 HydrophobicContact CG1-CB 4.31Å; I664-I669 HydrophobicContact CG1-CG2 4.29Å; I669-I677 HydrophobicContact CD1-CD1 3.92Å; I669-I677 HydrophobicContact CD1-CG2 4.09Å; I669-I677 HydrophobicContact CG1-CD1 4.36Å; I669-I677 HydrophobicContact CG2-CD1 3.8Å
670	P	81.8	Confident	85.4	Confident	16 Å²	16	68.3 Å²	68.3	10%	0.104	32%	0.319	C	S	.	.			trans	-85.6	144.3	172.9	35.1	-35.5	0	0	0	113.6	Q636 Y637 E672 D673	Q636-P670 HydrophobicContact CG-CB 3.79Å; Q636-P670 HydrophobicContact CG-CG 3.84Å; Y637-P670 VanDerWaalsContact CE1-CD 3.5Å; Y637-P670 HydrophobicContact CE1-CG 4.42Å; Y637-P670 HydrophobicContact CE2-CG 3.98Å; Y637-P670 VanDerWaalsContact CZ-CD 3.45Å; P670-E672 PolarHBondContact O-N 2.67Å; P670-D673 HydrophobicContact CG-CB 4.44Å; P670-D673 PolarHBondContact O-N 2.96Å; P670-D673 VanDerWaalsContact O-N 3.11Å
671	D	83	Confident	85.3	Confident	117 Å²	117	68.3 Å²	68.3	63%	0.626	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-29	-175.2	-59	-26.7	0	0	0	114.8	I664 D673 T674	I664-D671 WeakPolarHBondContact CG2-OD1 3.22Å; D671-D673 VanDerWaalsContact C-N 3.34Å; D671-D673 PolarHBondContact O-N 3.17Å; D671-T674 WeakPolarHBondContact CA-OG1 3.18Å; D671-T674 WeakPolarHBondContact O-CB 3.23Å; D671-T674 PolarHBondContact O-OG1 3.36Å
672	E	81.8	Confident	85.3	Confident	136 Å²	136	68.2 Å²	68.2	64%	0.636	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-29.4	-178.1	-59.1	90.5	168.4	0	0	113.2	Q636 P670	Q636-E672 PolarHBondContact NE2-OE2 2.78Å; P670-E672 PolarHBondContact O-N 2.67Å
673	D	82.1	Confident	85.1	Confident	15 Å²	15	65.8 Å²	65.8	8%	0.08	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-6.2	-177.4	-81.6	-22.9	0	0	0	113.1	I604 K633 Y637 P670 D671 R675 M676 I677	I604-D673 WeakPolarHBondContact CD1-OD2 3.4Å; K633-D673 IonicContact NZ-OD1 3.86Å; K633-D673 PolarHBondContact NZ-OD1 3.03Å; K633-D673 IonicContact NZ-OD2 3.6Å; K633-D673 PolarHBondContact NZ-OD2 3.07Å; Y637-D673 VanDerWaalsContact OH-CB 3.22Å; Y637-D673 WeakPolarHBondContact OH-CB 3.27Å; Y637-D673 VanDerWaalsContact OH-CG 3.31Å; Y637-D673 PolarHBondContact OH-OD2 3.2Å; P670-D673 HydrophobicContact CG-CB 4.44Å; P670-D673 PolarHBondContact O-N 2.96Å; P670-D673 VanDerWaalsContact O-N 3.11Å; D671-D673 VanDerWaalsContact C-N 3.34Å; D671-D673 PolarHBondContact O-N 3.17Å; D673-R675 PolarHBondContact O-N 2.96Å; D673-M676 HydrophobicContact CB-CE 4.01Å; D673-M676 WeakPolarHBondContact O-CB 2.95Å; D673-M676 PolarHBondContact O-N 2.92Å; D673-M676 WeakPolarHBondContact OD1-CE 3.13Å; D673-I677 HydrophobicContact CB-CD1 4.18Å; D673-I677 PolarHBondContact O-N 3.37Å
674	T	86.7	Confident	85	Confident	35 Å²	35	66.9 Å²	66.9	22%	0.215	31%	0.311	C	S	.	.	H	α-helix	trans	-42.2	-62	-177.5	-58.5	0	0	0	0	114.1	V660 I664 D671 M676 I677 T678	V660-T674 HydrophobicContact CG1-CG2 3.99Å; I664-T674 HydrophobicContact CD1-CG2 3.7Å; I664-T674 WeakPolarHBondContact CD1-OG1 3.34Å; D671-T674 WeakPolarHBondContact CA-OG1 3.18Å; D671-T674 WeakPolarHBondContact O-CB 3.23Å; D671-T674 PolarHBondContact O-OG1 3.36Å; T674-M676 PolarHBondContact O-N 3.34Å; T674-M676 VanDerWaalsContact O-N 3.12Å; T674-I677 PolarHBondContact O-N 2.65Å; T674-T678 WeakPolarHBondContact O-CB 3.49Å; T674-T678 PolarHBondContact O-N 2.77Å; T674-T678 PolarHBondContact O-OG1 3.31Å
675	R	84.9	Confident	85.1	Confident	214 Å²	214	66.1 Å²	66.1	81%	0.808	31%	0.307	S	S	*	.	H	α-helix	trans	-59.1	-29.2	-177.2	-68.5	-178.1	-65.9	-126.3	-7.1	113	D673 K679	D673-R675 PolarHBondContact O-N 2.96Å; R675-K679 WeakPolarHBondContact O-CB 3.32Å; R675-K679 PolarHBondContact O-N 3.34Å
676	M	83.1	Confident	85.1	Confident	47 Å²	47	61.2 Å²	61.2	23%	0.232	29%	0.286	C	S	.	.	H	α-helix	trans	-82.8	-37.8	-176.3	-173.2	-178.1	63.1	0	0	111.2	I602 I604 D673 T674 L680	I602-M676 HydrophobicContact CB-CE 4.36Å; I602-M676 HydrophobicContact CB-SD 3.9Å; I602-M676 HydrophobicContact CD1-CG 4.26Å; I602-M676 HydrophobicContact CD1-SD 4.48Å; I602-M676 HydrophobicContact CG1-CG 4.24Å; I602-M676 HydrophobicContact CG1-SD 3.82Å; I602-M676 HydrophobicContact CG2-CE 3.46Å; I602-M676 VanDerWaalsContact CG2-CE 3.46Å; I602-M676 HydrophobicContact CG2-CG 3.99Å; I602-M676 HydrophobicContact CG2-SD 3.5Å; I602-M676 VanDerWaalsContact CG2-SD 3.5Å; I604-M676 HydrophobicContact CD1-CE 3.69Å; D673-M676 HydrophobicContact CB-CE 4.01Å; D673-M676 WeakPolarHBondContact O-CB 2.95Å; D673-M676 PolarHBondContact O-N 2.92Å; D673-M676 WeakPolarHBondContact OD1-CE 3.13Å; T674-M676 PolarHBondContact O-N 3.34Å; T674-M676 VanDerWaalsContact O-N 3.12Å; M676-L680 WeakPolarHBondContact O-CG 3.46Å; M676-L680 PolarHBondContact O-N 3.11Å
677	I	87.4	Confident	85.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-75.3	-39.1	174.6	-64.1	173.4	0	0	0	111	I604 L626 Y637 V660 I669 D673 T674 K679 L680 I681	I604-I677 HydrophobicContact CD1-CD1 4.42Å; I604-I677 HydrophobicContact CG2-CD1 4.46Å; I604-I677 HydrophobicContact CG2-CG1 4.49Å; L626-I677 HydrophobicContact CD1-CD1 4.23Å; L626-I677 HydrophobicContact CD1-CG1 4.3Å; L626-I677 HydrophobicContact CD1-CG2 3.9Å; L626-I677 HydrophobicContact CD2-CD1 4.14Å; Y637-I677 HydrophobicContact CE1-CD1 4.11Å; Y637-I677 WeakPolarHBondContact OH-CD1 3.31Å; V660-I677 HydrophobicContact CG2-CG2 3.98Å; I669-I677 HydrophobicContact CD1-CD1 3.92Å; I669-I677 HydrophobicContact CD1-CG2 4.09Å; I669-I677 HydrophobicContact CG1-CD1 4.36Å; I669-I677 HydrophobicContact CG2-CD1 3.8Å; D673-I677 HydrophobicContact CB-CD1 4.18Å; D673-I677 PolarHBondContact O-N 3.37Å; T674-I677 PolarHBondContact O-N 2.65Å; I677-K679 VanDerWaalsContact C-N 3.26Å; I677-K679 PolarHBondContact O-N 2.65Å; I677-L680 PolarHBondContact O-N 2.73Å; I677-I681 HydrophobicContact CG2-CD1 4.11Å; I677-I681 HydrophobicContact CG2-CG1 4.35Å; I677-I681 WeakPolarHBondContact O-CG1 3.01Å; I677-I681 PolarHBondContact O-N 2.95Å
678	T	90.2	Very high	85.6	Confident	12 Å²	12	50.2 Å²	50.2	7%	0.074	24%	0.237	C	C	.	.	H	α-helix	trans	-53.8	-47.2	171.6	-54.9	0	0	0	0	110.4	P656 D657 T674 I681 K682	P656-T678 HydrophobicContact CB-CG2 4.35Å; D657-T678 HydrophobicContact CB-CG2 4.23Å; D657-T678 VanDerWaalsContact CG-CG2 3.49Å; D657-T678 WeakPolarHBondContact OD1-CG2 3.2Å; T674-T678 WeakPolarHBondContact O-CB 3.49Å; T674-T678 PolarHBondContact O-N 2.77Å; T674-T678 PolarHBondContact O-OG1 3.31Å; T678-I681 PolarHBondContact O-N 2.98Å; T678-K682 WeakPolarHBondContact O-CB 3.41Å; T678-K682 PolarHBondContact O-N 3.23Å
679	K	86	Confident	86.1	Confident	126 Å²	126	51.8 Å²	51.8	55%	0.548	24%	0.241	S	C	.	.	H	α-helix	trans	-60.3	-47.4	172.9	176.3	169	175.4	170.8	0	112.4	R675 I677 I681 K682 D683	R675-K679 WeakPolarHBondContact O-CB 3.32Å; R675-K679 PolarHBondContact O-N 3.34Å; I677-K679 VanDerWaalsContact C-N 3.26Å; I677-K679 PolarHBondContact O-N 2.65Å; K679-I681 VanDerWaalsContact C-N 3.32Å; K679-I681 PolarHBondContact O-N 3.13Å; K679-K682 PolarHBondContact O-N 2.87Å; K679-D683 WeakPolarHBondContact CE-OD1 3.4Å; K679-D683 WeakPolarHBondContact CE-OD2 3.5Å; K679-D683 WeakPolarHBondContact CG-OD2 3.46Å; K679-D683 IonicContact NZ-OD2 3.76Å; K679-D683 WeakPolarHBondContact O-CB 3.23Å; K679-D683 VanDerWaalsContact O-CG 3.26Å; K679-D683 PolarHBondContact O-N 2.66Å
680	L	86.8	Confident	86.3	Confident	10 Å²	10	56.7 Å²	56.7	5%	0.052	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-36.1	179.9	-76.1	172.2	0	0	0	113.3	I602 V606 M676 I677 K684	I602-L680 HydrophobicContact CD1-CD1 4.02Å; I602-L680 HydrophobicContact CD1-CD2 3.92Å; I602-L680 HydrophobicContact CD1-CG 4.18Å; I602-L680 HydrophobicContact CG2-CD1 3.85Å; V606-L680 HydrophobicContact CB-CB 4.45Å; V606-L680 HydrophobicContact CG2-CB 3.76Å; V606-L680 HydrophobicContact CG2-CD1 4.47Å; M676-L680 WeakPolarHBondContact O-CG 3.46Å; M676-L680 PolarHBondContact O-N 3.11Å; I677-L680 PolarHBondContact O-N 2.73Å; L680-K684 WeakPolarHBondContact O-CB 3.31Å; L680-K684 VanDerWaalsContact O-CG 3.24Å; L680-K684 WeakPolarHBondContact O-CG 3.4Å; L680-K684 PolarHBondContact O-N 3.38Å
681	I	89.8	Confident	86.4	Confident	0 Å²	0	57 Å²	57	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68.8	-46.8	174.5	-65.4	178.3	0	0	0	109.6	V606 M624 F647 F649 P656 V659 V660 M663 I677 T678 K679 K684 V685	V606-I681 HydrophobicContact CG2-CG1 4.2Å; M624-I681 HydrophobicContact CE-CG2 4.37Å; M624-I681 HydrophobicContact SD-CG2 4.08Å; F647-I681 HydrophobicContact CE2-CD1 3.78Å; F647-I681 HydrophobicContact CE2-CG1 4.37Å; F647-I681 HydrophobicContact CZ-CD1 3.56Å; F647-I681 HydrophobicContact CZ-CG1 3.94Å; F649-I681 HydrophobicContact CD2-CG2 3.83Å; F649-I681 HydrophobicContact CE2-CG2 3.7Å; P656-I681 HydrophobicContact CB-CB 4.3Å; P656-I681 HydrophobicContact CB-CG2 3.97Å; V659-I681 HydrophobicContact CG1-CD1 4.36Å; V660-I681 HydrophobicContact CG2-CD1 3.7Å; M663-I681 HydrophobicContact CE-CD1 4.35Å; I677-I681 HydrophobicContact CG2-CD1 4.11Å; I677-I681 HydrophobicContact CG2-CG1 4.35Å; I677-I681 WeakPolarHBondContact O-CG1 3.01Å; I677-I681 PolarHBondContact O-N 2.95Å; T678-I681 PolarHBondContact O-N 2.98Å; K679-I681 VanDerWaalsContact C-N 3.32Å; K679-I681 PolarHBondContact O-N 3.13Å; I681-K684 WeakPolarHBondContact O-CB 3.47Å; I681-K684 PolarHBondContact O-N 3.43Å; I681-V685 HydrophobicContact CG2-CG2 4.32Å; I681-V685 WeakPolarHBondContact O-CG2 3.46Å; I681-V685 PolarHBondContact O-N 2.69Å
682	K	89.6	Confident	86.6	Confident	109 Å²	109	53.3 Å²	53.3	47%	0.474	24%	0.237	S	C	.	.	H	α-helix	trans	-58.3	-52.1	176.5	-176.5	173	179.6	174	0	112.7	P656 T678 K679 K684 V685 D686	P656-K682 HydrophobicContact CB-CB 4.22Å; P656-K682 HydrophobicContact CG-CB 4.05Å; P656-K682 HydrophobicContact CG-CG 4.48Å; T678-K682 WeakPolarHBondContact O-CB 3.41Å; T678-K682 PolarHBondContact O-N 3.23Å; K679-K682 PolarHBondContact O-N 2.87Å; K682-K684 PolarHBondContact O-N 3.07Å; K682-K684 VanDerWaalsContact O-N 3.17Å; K682-V685 PolarHBondContact O-N 2.75Å; K682-V685 VanDerWaalsContact O-N 3.12Å; K682-D686 WeakPolarHBondContact CE-OD2 3.41Å; K682-D686 WeakPolarHBondContact CG-OD2 3.18Å; K682-D686 WeakPolarHBondContact O-CB 3.28Å; K682-D686 PolarHBondContact O-N 2.88Å
683	D	84.7	Confident	86.9	Confident	46 Å²	46	50.4 Å²	50.4	25%	0.246	23%	0.226	C	C	.	.	H	α-helix	trans	-56.1	-34.3	179.3	-71.1	-10.4	0	0	0	111	K679 A687	K679-D683 WeakPolarHBondContact CE-OD1 3.4Å; K679-D683 WeakPolarHBondContact CE-OD2 3.5Å; K679-D683 WeakPolarHBondContact CG-OD2 3.46Å; K679-D683 IonicContact NZ-OD2 3.76Å; K679-D683 WeakPolarHBondContact O-CB 3.23Å; K679-D683 VanDerWaalsContact O-CG 3.26Å; K679-D683 PolarHBondContact O-N 2.66Å; D683-A687 WeakPolarHBondContact O-CB 3.24Å; D683-A687 PolarHBondContact O-N 2.85Å; D683-A687 VanDerWaalsContact O-N 3.15Å
684	K	87.3	Confident	86.9	Confident	30 Å²	30	52 Å²	52	13%	0.13	23%	0.233	C	C	.	.	H	α-helix	trans	-73.1	-44.2	174.9	-78.9	-60.4	-165.5	-171.9	0	114.3	D594 V606 M624 L680 I681 K682 A687 F688	D594-K684 WeakPolarHBondContact OD1-CE 3.39Å; D594-K684 IonicContact OD1-NZ 3.7Å; D594-K684 PolarHBondContact OD1-NZ 3.15Å; D594-K684 VanDerWaalsContact OD2-CE 3.32Å; D594-K684 WeakPolarHBondContact OD2-CE 3.41Å; D594-K684 IonicContact OD2-NZ 2.7Å; D594-K684 PolarHBondContact OD2-NZ 2.75Å; V606-K684 HydrophobicContact CB-CG 4.19Å; V606-K684 HydrophobicContact CG1-CG 4.07Å; V606-K684 WeakPolarHBondContact O-CE 3.45Å; M624-K684 HydrophobicContact CE-CB 3.56Å; M624-K684 HydrophobicContact CE-CG 4.3Å; L680-K684 WeakPolarHBondContact O-CB 3.31Å; L680-K684 VanDerWaalsContact O-CG 3.24Å; L680-K684 WeakPolarHBondContact O-CG 3.4Å; L680-K684 PolarHBondContact O-N 3.38Å; I681-K684 WeakPolarHBondContact O-CB 3.47Å; I681-K684 PolarHBondContact O-N 3.43Å; K682-K684 PolarHBondContact O-N 3.07Å; K682-K684 VanDerWaalsContact O-N 3.17Å; K684-A687 WeakPolarHBondContact O-CB 3.41Å; K684-A687 PolarHBondContact O-N 2.64Å; K684-F688 PolarHBondContact O-N 2.9Å
685	V	90.9	Very high	86.9	Confident	5 Å²	5	54 Å²	54	3%	0.03	24%	0.237	C	C	.	.	H	α-helix	trans	-67.4	-43.6	178.4	172.8	0	0	0	0	110.2	M624 F649 I681 K682 A687 F688 R689	M624-V685 HydrophobicContact CE-CG2 4.22Å; M624-V685 HydrophobicContact SD-CG2 4.47Å; F649-V685 HydrophobicContact CD1-CG2 3.64Å; F649-V685 HydrophobicContact CE1-CB 4.31Å; F649-V685 HydrophobicContact CE1-CG1 3.9Å; F649-V685 HydrophobicContact CE1-CG2 3.46Å; F649-V685 VanDerWaalsContact CE1-CG2 3.46Å; F649-V685 HydrophobicContact CE2-CG2 4.35Å; F649-V685 HydrophobicContact CG-CG2 4.19Å; F649-V685 HydrophobicContact CZ-CG2 3.85Å; I681-V685 HydrophobicContact CG2-CG2 4.32Å; I681-V685 WeakPolarHBondContact O-CG2 3.46Å; I681-V685 PolarHBondContact O-N 2.69Å; K682-V685 PolarHBondContact O-N 2.75Å; K682-V685 VanDerWaalsContact O-N 3.12Å; V685-A687 PolarHBondContact O-N 2.74Å; V685-F688 PolarHBondContact O-N 2.98Å; V685-R689 HydrophobicContact CG1-CG 4.4Å; V685-R689 WeakPolarHBondContact O-CB 3.45Å; V685-R689 WeakPolarHBondContact O-CG 3.45Å; V685-R689 PolarHBondContact O-N 3.27Å
686	D	88.4	Confident	87.1	Confident	54 Å²	54	47.4 Å²	47.4	29%	0.289	22%	0.217	S	C	.	.	H	α-helix	trans	-69.9	-16.3	175.7	-70.8	-21.3	0	0	0	112.8	K682 R689 R690	K682-D686 WeakPolarHBondContact CE-OD2 3.41Å; K682-D686 WeakPolarHBondContact CG-OD2 3.18Å; K682-D686 WeakPolarHBondContact O-CB 3.28Å; K682-D686 PolarHBondContact O-N 2.88Å; D686-R689 IonicContact OD1-NH1 3.77Å; D686-R689 PolarHBondContact OD1-NH1 3.21Å; D686-R690 PolarHBondContact O-NE 2.74Å; D686-R690 PolarHBondContact O-NH2 2.71Å
687	A	83.3	Confident	87.3	Confident	16 Å²	16	50.5 Å²	50.5	13%	0.132	23%	0.234	C	C	.	.	H	α-helix	trans	-77.8	-55.1	164.5	0	0	0	0	0	111.6	D683 K684 V685 R689 R690 D691	D683-A687 WeakPolarHBondContact O-CB 3.24Å; D683-A687 PolarHBondContact O-N 2.85Å; D683-A687 VanDerWaalsContact O-N 3.15Å; K684-A687 WeakPolarHBondContact O-CB 3.41Å; K684-A687 PolarHBondContact O-N 2.64Å; V685-A687 PolarHBondContact O-N 2.74Å; A687-R689 VanDerWaalsContact C-N 3.32Å; A687-R689 PolarHBondContact O-N 3.06Å; A687-R690 PolarHBondContact O-N 2.87Å; A687-R690 VanDerWaalsContact O-N 3.09Å; A687-D691 PolarHBondContact O-N 2.83Å; A687-D691 VanDerWaalsContact O-N 3.08Å
688	F	88.9	Confident	87.1	Confident	1 Å²	1	54.5 Å²	54.5	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-38.5	-176.6	-170	-84.6	0	0	0	112.9	I608 R611 D614 L615 I622 I651 K684 V685 R690 D691 R692	I608-F688 HydrophobicContact CD1-CB 3.92Å; I608-F688 HydrophobicContact CD1-CD2 3.73Å; I608-F688 HydrophobicContact CD1-CG 4.11Å; R611-F688 HydrophobicContact CG-CD2 4.49Å; R611-F688 HydrophobicContact CG-CE2 4.41Å; D614-F688 HydrophobicContact CB-CE2 4.09Å; D614-F688 HydrophobicContact CB-CZ 3.71Å; L615-F688 HydrophobicContact CB-CE2 4.1Å; L615-F688 HydrophobicContact CB-CZ 4.14Å; L615-F688 HydrophobicContact CD1-CE2 4.49Å; L615-F688 HydrophobicContact CD1-CZ 4.35Å; I622-F688 HydrophobicContact CD1-CG 4.46Å; I622-F688 HydrophobicContact CG2-CD1 4.4Å; I622-F688 HydrophobicContact CG2-CE1 3.92Å; I622-F688 HydrophobicContact CG2-CE2 4.34Å; I622-F688 HydrophobicContact CG2-CZ 3.88Å; I651-F688 HydrophobicContact CD1-CD1 3.4Å; I651-F688 HydrophobicContact CD1-CE1 3.4Å; I651-F688 HydrophobicContact CG1-CD1 4.39Å; K684-F688 PolarHBondContact O-N 2.9Å; V685-F688 PolarHBondContact O-N 2.98Å; F688-R690 PolarHBondContact O-N 2.84Å; F688-D691 PolarHBondContact O-N 3.01Å; F688-R692 WeakPolarHBondContact O-CB 3.36Å; F688-R692 PolarHBondContact O-N 2.92Å
689	R	89	Confident	87	Confident	91 Å²	91	56.6 Å²	56.6	34%	0.343	26%	0.263	S	S	.	.	H	α-helix	trans	-54.3	-51.1	172.1	-76.5	172.1	171.7	171.7	-8.3	111.8	I651 V685 D686 A687 D691 R692 D693	I651-R689 HydrophobicContact CG2-CG 3.55Å; I651-R689 PolarHBondContact O-NE 2.99Å; I651-R689 PolarHBondContact O-NH2 2.93Å; V685-R689 HydrophobicContact CG1-CG 4.4Å; V685-R689 WeakPolarHBondContact O-CB 3.45Å; V685-R689 WeakPolarHBondContact O-CG 3.45Å; V685-R689 PolarHBondContact O-N 3.27Å; D686-R689 IonicContact OD1-NH1 3.77Å; D686-R689 PolarHBondContact OD1-NH1 3.21Å; A687-R689 VanDerWaalsContact C-N 3.32Å; A687-R689 PolarHBondContact O-N 3.06Å; R689-D691 VanDerWaalsContact C-N 3.3Å; R689-D691 PolarHBondContact O-N 3.2Å; R689-R692 WeakPolarHBondContact O-CB 3.19Å; R689-R692 PolarHBondContact O-N 3.18Å; R689-R692 VanDerWaalsContact O-N 3.14Å; R689-D693 PolarHBondContact O-N 3.5Å
690	R	85.6	Confident	87.1	Confident	110 Å²	110	56.5 Å²	56.5	42%	0.415	26%	0.262	S	S	.	.	H	α-helix	trans	-62.5	-36	178.5	-73	-179.7	-73.2	125.2	-5.8	112.9	D686 A687 F688 H694	D686-R690 PolarHBondContact O-NE 2.74Å; D686-R690 PolarHBondContact O-NH2 2.71Å; A687-R690 PolarHBondContact O-N 2.87Å; A687-R690 VanDerWaalsContact O-N 3.09Å; F688-R690 PolarHBondContact O-N 2.84Å; R690-H694 WeakPolarHBondContact O-CB 3.3Å; R690-H694 PolarHBondContact O-N 2.98Å
691	D	84.1	Confident	86.9	Confident	24 Å²	24	59.9 Å²	59.9	13%	0.128	27%	0.274	C	S	.	.	H	α-helix	trans	-67.9	-41.9	175.4	-58.8	-44.1	0	0	0	110.8	R611 L615 A687 F688 R689 H694 R695	R611-D691 IonicContact CZ-OD2 3.26Å; R611-D691 IonicContact NH1-OD2 2.65Å; R611-D691 PolarHBondContact NH1-OD2 3.14Å; R611-D691 IonicContact NH2-OD1 3.74Å; R611-D691 IonicContact NH2-OD2 3.39Å; R611-D691 PolarHBondContact NH2-OD2 2.86Å; L615-D691 VanDerWaalsContact CD1-C 3.49Å; L615-D691 HydrophobicContact CD1-CB 3.79Å; L615-D691 HydrophobicContact CD2-CB 4.09Å; A687-D691 PolarHBondContact O-N 2.83Å; A687-D691 VanDerWaalsContact O-N 3.08Å; F688-D691 PolarHBondContact O-N 3.01Å; R689-D691 VanDerWaalsContact C-N 3.3Å; R689-D691 PolarHBondContact O-N 3.2Å; D691-H694 PolarHBondContact O-N 3.37Å; D691-R695 WeakPolarHBondContact O-CB 3.49Å; D691-R695 PolarHBondContact O-N 2.77Å
692	R	88.5	Confident	86.7	Confident	38 Å²	38	62.6 Å²	62.6	14%	0.143	30%	0.297	C	S	.	.	H	α-helix	trans	-60.5	-47.1	175.9	-169.1	-177	77.2	161.6	1.8	111	L615 L618 E652 F688 R689 H694 R695 L696	L615-R692 HydrophobicContact CD1-CB 4.21Å; L618-R692 HydrophobicContact CD2-CG 3.8Å; E652-R692 IonicContact OE1-CZ 2.73Å; E652-R692 IonicContact OE1-NH1 3.44Å; E652-R692 PolarHBondContact OE1-NH1 3.27Å; E652-R692 IonicContact OE1-NH2 3.97Å; E652-R692 PolarHBondContact OE1-NH2 2.85Å; F688-R692 WeakPolarHBondContact O-CB 3.36Å; F688-R692 PolarHBondContact O-N 2.92Å; R689-R692 WeakPolarHBondContact O-CB 3.19Å; R689-R692 PolarHBondContact O-N 3.18Å; R689-R692 VanDerWaalsContact O-N 3.14Å; R692-H694 VanDerWaalsContact C-N 3.34Å; R692-H694 PolarHBondContact O-N 2.94Å; R692-R695 PolarHBondContact O-N 3Å; R692-R695 VanDerWaalsContact O-N 3.16Å; R692-L696 HydrophobicContact CG-CD1 4.39Å; R692-L696 WeakPolarHBondContact O-CG 3.29Å; R692-L696 PolarHBondContact O-N 3.27Å
693	D	87.7	Confident	86.6	Confident	75 Å²	75	63.8 Å²	63.8	40%	0.401	30%	0.302	S	S	.	.	H	α-helix	trans	-63.2	-39.9	178.1	-59.2	-22.4	0	0	0	111.4	R689 L696 L697	R689-D693 PolarHBondContact O-N 3.5Å; D693-L696 PolarHBondContact O-N 3.28Å; D693-L697 WeakPolarHBondContact O-CD1 3.49Å; D693-L697 PolarHBondContact O-N 3.19Å
694	H	82.8	Confident	86.6	Confident	50 Å²	50	65.4 Å²	65.4	23%	0.231	31%	0.308	C	S	.	.	H	α-helix	trans	-62.7	-43.7	172.5	-177.2	-74	0	0	0	112.1	R578 R690 D691 R692 L696 L697 E698	R578-H694 PolarHBondContact NH1-CD2 3.39Å; R578-H694 PolarHBondContact NH1-CE1 3.47Å; R578-H694 PolarHBondContact NH1-NE2 3.21Å; R578-H694 PolarHBondContact NH2-CE1 2.83Å; R690-H694 WeakPolarHBondContact O-CB 3.3Å; R690-H694 PolarHBondContact O-N 2.98Å; D691-H694 PolarHBondContact O-N 3.37Å; R692-H694 VanDerWaalsContact C-N 3.34Å; R692-H694 PolarHBondContact O-N 2.94Å; H694-L696 VanDerWaalsContact C-N 3.32Å; H694-L696 PolarHBondContact O-N 2.91Å; H694-L697 PolarHBondContact O-N 3.33Å; H694-E698 PolarHBondContact O-N 3.38Å
695	R	85.8	Confident	86.3	Confident	76 Å²	76	68.8 Å²	68.8	29%	0.287	32%	0.324	S	S	.	.	H	α-helix	trans	-65	-36.9	178.8	-170.8	55.7	164.8	166.8	1	111.6	L615 N616 D691 R692 E698 I699	L615-R695 HydrophobicContact CD1-CB 4.44Å; N616-R695 PolarHBondContact OD1-NE 3.49Å; N616-R695 PolarHBondContact OD1-NH2 2.69Å; D691-R695 WeakPolarHBondContact O-CB 3.49Å; D691-R695 PolarHBondContact O-N 2.77Å; R692-R695 PolarHBondContact O-N 3Å; R692-R695 VanDerWaalsContact O-N 3.16Å; R695-E698 VanDerWaalsContact CD-OE2 3.31Å; R695-E698 WeakPolarHBondContact CD-OE2 3.24Å; R695-E698 IonicContact CZ-OE2 2.7Å; R695-E698 IonicContact NE-OE2 2.65Å; R695-E698 IonicContact NH1-OE1 3.4Å; R695-E698 IonicContact NH1-OE2 2.98Å; R695-E698 PolarHBondContact NH1-OE2 3.4Å; R695-E698 PolarHBondContact O-N 3.37Å; R695-I699 HydrophobicContact CG-CD1 4.09Å; R695-I699 WeakPolarHBondContact O-CB 3.27Å; R695-I699 WeakPolarHBondContact O-CD1 3.34Å; R695-I699 VanDerWaalsContact O-CG1 3.26Å; R695-I699 WeakPolarHBondContact O-CG1 3.22Å; R695-I699 PolarHBondContact O-N 3.37Å
696	L	88.6	Confident	85.9	Confident	75 Å²	75	73.7 Å²	73.7	39%	0.393	35%	0.347	S	S	.	.	H	α-helix	trans	-62.5	-43.6	171.4	-73.5	167.4	0	0	0	112.1	L618 R692 D693 H694 I699 K700	L618-L696 HydrophobicContact CD1-CD2 3.7Å; L618-L696 HydrophobicContact CD2-CD2 4.1Å; L618-L696 HydrophobicContact CD2-CG 4.07Å; R692-L696 HydrophobicContact CG-CD1 4.39Å; R692-L696 WeakPolarHBondContact O-CG 3.29Å; R692-L696 PolarHBondContact O-N 3.27Å; D693-L696 PolarHBondContact O-N 3.28Å; H694-L696 VanDerWaalsContact C-N 3.32Å; H694-L696 PolarHBondContact O-N 2.91Å; L696-I699 PolarHBondContact O-N 2.95Å; L696-K700 WeakPolarHBondContact O-CB 3.27Å; L696-K700 PolarHBondContact O-N 3.29Å
697	L	87.7	Confident	85.7	Confident	113 Å²	113	76.8 Å²	76.8	59%	0.592	36%	0.36	S	S	*	.	H	α-helix	trans	-63.4	-40	174	-100	74.3	0	0	0	112.6	D693 H694 K700 R701	D693-L697 WeakPolarHBondContact O-CD1 3.49Å; D693-L697 PolarHBondContact O-N 3.19Å; H694-L697 PolarHBondContact O-N 3.33Å; L697-K700 PolarHBondContact O-N 3.46Å; L697-R701 PolarHBondContact O-N 2.61Å
698	E	83.1	Confident	85.7	Confident	83 Å²	83	82.6 Å²	82.6	39%	0.388	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-46.1	177	-173.6	179.6	-150.1	0	0	111.4	H694 R695 K700 R701 A702	H694-E698 PolarHBondContact O-N 3.38Å; R695-E698 VanDerWaalsContact CD-OE2 3.31Å; R695-E698 WeakPolarHBondContact CD-OE2 3.24Å; R695-E698 IonicContact CZ-OE2 2.7Å; R695-E698 IonicContact NE-OE2 2.65Å; R695-E698 IonicContact NH1-OE1 3.4Å; R695-E698 IonicContact NH1-OE2 2.98Å; R695-E698 PolarHBondContact NH1-OE2 3.4Å; R695-E698 PolarHBondContact O-N 3.37Å; E698-K700 VanDerWaalsContact C-N 3.33Å; E698-K700 PolarHBondContact O-N 2.8Å; E698-R701 PolarHBondContact O-N 2.82Å; E698-A702 WeakPolarHBondContact O-CB 3.07Å; E698-A702 PolarHBondContact O-N 3.15Å
699	I	87.7	Confident	85.6	Confident	56 Å²	56	87.7 Å²	87.7	29%	0.287	40%	0.404	S	S	.	.	H	α-helix	trans	-63.6	-38	175	-68.7	165	0	0	0	111.3	L618 R695 L696 K703	L618-I699 HydrophobicContact CD1-CD1 4.49Å; R695-I699 HydrophobicContact CG-CD1 4.09Å; R695-I699 WeakPolarHBondContact O-CB 3.27Å; R695-I699 WeakPolarHBondContact O-CD1 3.34Å; R695-I699 VanDerWaalsContact O-CG1 3.26Å; R695-I699 WeakPolarHBondContact O-CG1 3.22Å; R695-I699 PolarHBondContact O-N 3.37Å; L696-I699 PolarHBondContact O-N 2.95Å; I699-K703 HydrophobicContact CG2-CD 4.5Å; I699-K703 WeakPolarHBondContact O-CG 3.16Å; I699-K703 PolarHBondContact O-N 2.72Å
700	K	88.6	Confident	85.5	Confident	124 Å²	124	90.8 Å²	90.8	54%	0.539	42%	0.416	S	S	.	.	H	α-helix	trans	-63	-49.8	175.1	-174.9	174.5	-173.7	-72.5	0	111.1	L696 L697 E698 A702 K703 E704	L696-K700 WeakPolarHBondContact O-CB 3.27Å; L696-K700 PolarHBondContact O-N 3.29Å; L697-K700 PolarHBondContact O-N 3.46Å; E698-K700 VanDerWaalsContact C-N 3.33Å; E698-K700 PolarHBondContact O-N 2.8Å; K700-A702 PolarHBondContact O-N 2.78Å; K700-K703 WeakPolarHBondContact O-CB 3.44Å; K700-K703 PolarHBondContact O-N 2.77Å; K700-E704 IonicContact NZ-OE1 3.27Å; K700-E704 PolarHBondContact NZ-OE1 3.18Å; K700-E704 WeakPolarHBondContact O-CG 3.37Å; K700-E704 PolarHBondContact O-N 2.98Å
701	R	82.9	Confident	85.4	Confident	82 Å²	82	90.6 Å²	90.6	31%	0.309	42%	0.42	S	S	.	.	H	α-helix	trans	-66.1	-37.5	179.3	-164.5	-170.2	-64.6	131.6	-17.2	112.6	R580 E583 L697 E698 K703 E704 E705	R580-R701 VanDerWaalsContact NH1-NH1 3.11Å; E583-R701 IonicContact OE1-CZ 2.72Å; E583-R701 IonicContact OE1-NH1 3.5Å; E583-R701 PolarHBondContact OE1-NH1 2.89Å; E583-R701 IonicContact OE1-NH2 3.3Å; E583-R701 PolarHBondContact OE1-NH2 3.05Å; L697-R701 PolarHBondContact O-N 2.61Å; E698-R701 PolarHBondContact O-N 2.82Å; R701-K703 VanDerWaalsContact C-N 3.25Å; R701-K703 PolarHBondContact O-N 2.84Å; R701-E704 PolarHBondContact O-N 3.29Å; R701-E705 WeakPolarHBondContact O-CB 3.39Å; R701-E705 PolarHBondContact O-N 2.94Å
702	A	85.4	Confident	85.2	Confident	57 Å²	57	95.2 Å²	95.2	47%	0.471	44%	0.441	S	S	.	.	H	α-helix	trans	-60.3	-37.1	175.7	0	0	0	0	0	111.9	E698 K700 E706	E698-A702 WeakPolarHBondContact O-CB 3.07Å; E698-A702 PolarHBondContact O-N 3.15Å; K700-A702 PolarHBondContact O-N 2.78Å; A702-E706 WeakPolarHBondContact O-CB 3.32Å; A702-E706 PolarHBondContact O-N 3.25Å
703	K	87.3	Confident	85	Confident	134 Å²	134	96.1 Å²	96.1	58%	0.583	46%	0.456	S	S	*	.	H	α-helix	trans	-69.1	-43.9	172.9	-70.1	172	179.9	-179.5	0	112.3	I699 K700 R701 E705 E706 E707	I699-K703 HydrophobicContact CG2-CD 4.5Å; I699-K703 WeakPolarHBondContact O-CG 3.16Å; I699-K703 PolarHBondContact O-N 2.72Å; K700-K703 WeakPolarHBondContact O-CB 3.44Å; K700-K703 PolarHBondContact O-N 2.77Å; R701-K703 VanDerWaalsContact C-N 3.25Å; R701-K703 PolarHBondContact O-N 2.84Å; K703-E705 VanDerWaalsContact C-N 3.27Å; K703-E705 PolarHBondContact O-N 3.46Å; K703-E706 PolarHBondContact O-N 3.43Å; K703-E707 VanDerWaalsContact O-CB 3.22Å; K703-E707 WeakPolarHBondContact O-CB 3.48Å; K703-E707 PolarHBondContact O-N 3.1Å
704	E	84.6	Confident	85	Confident	80 Å²	80	99.3 Å²	99.3	37%	0.374	47%	0.468	S	S	.	.	H	α-helix	trans	-61.4	-34.4	175.4	-68	165.2	171.4	0	0	112.3	K700 R701 R708	K700-E704 IonicContact NZ-OE1 3.27Å; K700-E704 PolarHBondContact NZ-OE1 3.18Å; K700-E704 WeakPolarHBondContact O-CG 3.37Å; K700-E704 PolarHBondContact O-N 2.98Å; R701-E704 PolarHBondContact O-N 3.29Å; E704-R708 WeakPolarHBondContact O-CB 3.48Å; E704-R708 WeakPolarHBondContact O-CG 3.17Å; E704-R708 PolarHBondContact O-N 2.84Å
705	E	80.7	Confident	85.1	Confident	100 Å²	100	101.8 Å²	101.8	47%	0.467	48%	0.482	S	S	.	.	H	α-helix	trans	-76.8	-39.4	176.8	-171	158.6	-156.8	0	0	112	R701 K703 R708 I709	R701-E705 WeakPolarHBondContact O-CB 3.39Å; R701-E705 PolarHBondContact O-N 2.94Å; K703-E705 VanDerWaalsContact C-N 3.27Å; K703-E705 PolarHBondContact O-N 3.46Å; E705-R708 PolarHBondContact O-N 3.14Å; E705-I709 HydrophobicContact CG-CD1 4.2Å; E705-I709 WeakPolarHBondContact O-CB 3.33Å; E705-I709 WeakPolarHBondContact O-CD1 3.43Å; E705-I709 VanDerWaalsContact O-CG1 3.24Å; E705-I709 WeakPolarHBondContact O-CG1 3.27Å; E705-I709 PolarHBondContact O-N 3.24Å
706	E	82.2	Confident	85	Confident	108 Å²	108	105.5 Å²	105.5	51%	0.505	50%	0.501	S	S	.	.	H	α-helix	trans	-62.8	-41.4	170.7	-163.1	-159.8	139.1	0	0	111.8	A702 K703 I709 R710	A702-E706 WeakPolarHBondContact O-CB 3.32Å; A702-E706 PolarHBondContact O-N 3.25Å; K703-E706 PolarHBondContact O-N 3.43Å; E706-I709 PolarHBondContact O-N 3.39Å; E706-R710 WeakPolarHBondContact O-CB 3.43Å; E706-R710 PolarHBondContact O-N 2.97Å; E706-R710 IonicContact OE1-CZ 2.61Å; E706-R710 IonicContact OE1-NH2 3.21Å; E706-R710 PolarHBondContact OE1-NH2 3.4Å
707	E	86	Confident	84.9	Confident	119 Å²	119	107.3 Å²	107.3	56%	0.556	51%	0.507	S	S	*	.	H	α-helix	trans	-61.6	-49.6	176.1	-173.4	161.2	-132.9	0	0	110.8	K703 I709 R710 E711	K703-E707 VanDerWaalsContact O-CB 3.22Å; K703-E707 WeakPolarHBondContact O-CB 3.48Å; K703-E707 PolarHBondContact O-N 3.1Å; E707-I709 PolarHBondContact O-N 3.48Å; E707-R710 WeakPolarHBondContact O-CA 3.41Å; E707-R710 WeakPolarHBondContact O-CB 3.4Å; E707-R710 PolarHBondContact O-N 3.34Å; E707-R710 VanDerWaalsContact O-N 3.1Å; E707-E711 WeakPolarHBondContact O-CG 3.48Å; E707-E711 PolarHBondContact O-N 3.3Å
708	R	83.5	Confident	84.8	Confident	139 Å²	139	107.1 Å²	107.1	53%	0.525	50%	0.503	S	S	.	.	H	α-helix	trans	-60.4	-38.3	173.8	-80.1	-169.3	65.6	-93.3	-16.4	114.2	E704 E705 R710 E711 E712	E704-R708 WeakPolarHBondContact O-CB 3.48Å; E704-R708 WeakPolarHBondContact O-CG 3.17Å; E704-R708 PolarHBondContact O-N 2.84Å; E705-R708 PolarHBondContact O-N 3.14Å; R708-R710 VanDerWaalsContact C-N 3.29Å; R708-E711 PolarHBondContact O-N 3.18Å; R708-E712 WeakPolarHBondContact O-CB 3.38Å; R708-E712 PolarHBondContact O-N 2.85Å
709	I	85.7	Confident	84.7	Confident	107 Å²	107	108.8 Å²	108.8	55%	0.549	51%	0.514	S	S	.	.	H	α-helix	trans	-67.3	-35	176.4	-71.8	165.5	0	0	0	110.4	E705 E706 E707 A713	E705-I709 HydrophobicContact CG-CD1 4.2Å; E705-I709 WeakPolarHBondContact O-CB 3.33Å; E705-I709 WeakPolarHBondContact O-CD1 3.43Å; E705-I709 VanDerWaalsContact O-CG1 3.24Å; E705-I709 WeakPolarHBondContact O-CG1 3.27Å; E705-I709 PolarHBondContact O-N 3.24Å; E706-I709 PolarHBondContact O-N 3.39Å; E707-I709 PolarHBondContact O-N 3.48Å; I709-A713 WeakPolarHBondContact O-CB 3.5Å; I709-A713 PolarHBondContact O-N 2.82Å
710	R	86.1	Confident	84.7	Confident	156 Å²	156	113 Å²	113	59%	0.589	53%	0.526	S	S	*	.	H	α-helix	trans	-68.5	-44.5	174.9	-164.3	-176.2	-62.5	177.3	-0.3	111.6	E706 E707 R708 A713 E714	E706-R710 WeakPolarHBondContact O-CB 3.43Å; E706-R710 PolarHBondContact O-N 2.97Å; E706-R710 IonicContact OE1-CZ 2.61Å; E706-R710 IonicContact OE1-NH2 3.21Å; E706-R710 PolarHBondContact OE1-NH2 3.4Å; E707-R710 WeakPolarHBondContact O-CA 3.41Å; E707-R710 WeakPolarHBondContact O-CB 3.4Å; E707-R710 PolarHBondContact O-N 3.34Å; E707-R710 VanDerWaalsContact O-N 3.1Å; R708-R710 VanDerWaalsContact C-N 3.29Å; R710-A713 PolarHBondContact O-N 2.99Å; R710-E714 PolarHBondContact O-N 3.19Å
711	E	83.5	Confident	84.6	Confident	107 Å²	107	111.5 Å²	111.5	50%	0.5	52%	0.523	S	S	.	.	H	α-helix	trans	-59.1	-46.5	172.3	-70.2	179.1	149.8	0	0	111.8	E707 R708 A713 E714 I715	E707-E711 WeakPolarHBondContact O-CG 3.48Å; E707-E711 PolarHBondContact O-N 3.3Å; R708-E711 PolarHBondContact O-N 3.18Å; E711-A713 VanDerWaalsContact C-N 3.31Å; E711-A713 PolarHBondContact O-N 3.34Å; E711-E714 PolarHBondContact O-N 2.8Å; E711-I715 WeakPolarHBondContact O-CB 3.42Å; E711-I715 VanDerWaalsContact O-CG1 3.28Å; E711-I715 WeakPolarHBondContact O-CG1 3.39Å; E711-I715 PolarHBondContact O-N 2.96Å
712	E	80.1	Confident	84.6	Confident	121 Å²	121	112.2 Å²	112.2	57%	0.565	53%	0.526	S	S	*	.	H	α-helix	trans	-64.4	-36.4	178.6	-168.6	178.6	145.9	0	0	111.7	R708 K716	R708-E712 WeakPolarHBondContact O-CB 3.38Å; R708-E712 PolarHBondContact O-N 2.85Å; E712-K716 WeakPolarHBondContact O-CB 3.46Å; E712-K716 PolarHBondContact O-N 2.88Å
713	A	85.6	Confident	84.5	Confident	56 Å²	56	112.2 Å²	112.2	46%	0.463	53%	0.527	S	S	.	.	H	α-helix	trans	-65.9	-43.1	173.4	0	0	0	0	0	112.4	I709 R710 E711 K716 E717	I709-A713 WeakPolarHBondContact O-CB 3.5Å; I709-A713 PolarHBondContact O-N 2.82Å; R710-A713 PolarHBondContact O-N 2.99Å; E711-A713 VanDerWaalsContact C-N 3.31Å; E711-A713 PolarHBondContact O-N 3.34Å; A713-K716 PolarHBondContact O-N 2.68Å; A713-E717 PolarHBondContact O-N 3.17Å
714	E	87.3	Confident	84.5	Confident	142 Å²	142	108.5 Å²	108.5	66%	0.664	51%	0.511	S	S	*	.	H	α-helix	trans	-65.5	-45.2	177.9	-173.8	168.4	-176.1	0	0	111.7	R710 E711 K716 E717 E718	R710-E714 PolarHBondContact O-N 3.19Å; E711-E714 PolarHBondContact O-N 2.8Å; E714-K716 VanDerWaalsContact C-N 3.29Å; E714-K716 PolarHBondContact O-N 2.83Å; E714-E717 PolarHBondContact O-N 2.81Å; E714-E717 VanDerWaalsContact O-N 3.14Å; E714-E718 PolarHBondContact O-N 3.19Å
715	I	84.3	Confident	84.6	Confident	102 Å²	102	107.4 Å²	107.4	52%	0.523	52%	0.516	S	S	.	.	H	α-helix	trans	-59.8	-40	174.1	-69.6	165.9	0	0	0	111.1	E711 E718 L719	E711-I715 WeakPolarHBondContact O-CB 3.42Å; E711-I715 VanDerWaalsContact O-CG1 3.28Å; E711-I715 WeakPolarHBondContact O-CG1 3.39Å; E711-I715 PolarHBondContact O-N 2.96Å; I715-E718 PolarHBondContact O-N 2.81Å; I715-L719 HydrophobicContact CG2-CD1 4.17Å; I715-L719 WeakPolarHBondContact O-CB 3.36Å; I715-L719 PolarHBondContact O-N 3.41Å
716	K	84.5	Confident	84.8	Confident	155 Å²	155	106.6 Å²	106.6	67%	0.674	51%	0.511	S	S	*	.	H	α-helix	trans	-68.4	-33.4	177.2	-174.9	175.8	-178.2	176.6	0	112.3	E712 A713 E714 R720	E712-K716 WeakPolarHBondContact O-CB 3.46Å; E712-K716 PolarHBondContact O-N 2.88Å; A713-K716 PolarHBondContact O-N 2.68Å; E714-K716 VanDerWaalsContact C-N 3.29Å; E714-K716 PolarHBondContact O-N 2.83Å; K716-R720 PolarHBondContact O-N 3.49Å; K716-R720 VanDerWaalsContact O-N 3.16Å
717	E	86.5	Confident	84.8	Confident	112 Å²	112	108.3 Å²	108.3	52%	0.523	52%	0.519	S	S	.	.	H	α-helix	trans	-72.3	-42.8	172.5	-173	161.3	-172.2	0	0	112	A713 E714 L719 R720 L721	A713-E717 PolarHBondContact O-N 3.17Å; E714-E717 PolarHBondContact O-N 2.81Å; E714-E717 VanDerWaalsContact O-N 3.14Å; E717-L719 VanDerWaalsContact C-N 3.34Å; E717-L719 PolarHBondContact O-N 2.88Å; E717-R720 WeakPolarHBondContact O-CB 3.35Å; E717-R720 PolarHBondContact O-N 3.4Å; E717-R720 VanDerWaalsContact O-N 3.08Å; E717-L721 HydrophobicContact CG-CD1 4.16Å; E717-L721 HydrophobicContact CG-CG 4.43Å; E717-L721 WeakPolarHBondContact O-CG 3.44Å; E717-L721 PolarHBondContact O-N 3.22Å
718	E	84.5	Confident	84.7	Confident	110 Å²	110	108.8 Å²	108.8	51%	0.514	52%	0.519	S	S	.	.	H	α-helix	trans	-58.4	-45.9	173.8	-162.7	-143.7	134.1	0	0	111	E714 I715 R720 L721 R722	E714-E718 PolarHBondContact O-N 3.19Å; I715-E718 PolarHBondContact O-N 2.81Å; E718-R720 VanDerWaalsContact C-N 3.28Å; E718-R720 PolarHBondContact O-N 3.09Å; E718-L721 PolarHBondContact O-N 2.99Å; E718-R722 WeakPolarHBondContact O-CB 3.35Å; E718-R722 PolarHBondContact O-N 3.45Å; E718-R722 IonicContact OE1-NH1 2.61Å; E718-R722 PolarHBondContact OE1-NH1 2.9Å
719	L	82.8	Confident	84.6	Confident	117 Å²	117	107 Å²	107	61%	0.613	52%	0.516	S	S	*	.	H	α-helix	trans	-58.4	-37.9	175.2	-94.3	158.2	0	0	0	112.6	I715 E717 A723	I715-L719 HydrophobicContact CG2-CD1 4.17Å; I715-L719 WeakPolarHBondContact O-CB 3.36Å; I715-L719 PolarHBondContact O-N 3.41Å; E717-L719 VanDerWaalsContact C-N 3.34Å; E717-L719 PolarHBondContact O-N 2.88Å; L719-A723 WeakPolarHBondContact O-CB 3.47Å; L719-A723 PolarHBondContact O-N 3.38Å
720	R	87	Confident	84.4	Confident	146 Å²	146	108.9 Å²	108.9	55%	0.551	52%	0.521	S	S	*	.	H	α-helix	trans	-69	-49.4	176.6	-152.9	-163.8	88	-155	0.2	111.5	K716 E717 E718 R722 A723 E724	K716-R720 PolarHBondContact O-N 3.49Å; K716-R720 VanDerWaalsContact O-N 3.16Å; E717-R720 WeakPolarHBondContact O-CB 3.35Å; E717-R720 PolarHBondContact O-N 3.4Å; E717-R720 VanDerWaalsContact O-N 3.08Å; E718-R720 VanDerWaalsContact C-N 3.28Å; E718-R720 PolarHBondContact O-N 3.09Å; R720-R722 VanDerWaalsContact C-N 3.26Å; R720-R722 PolarHBondContact O-N 3.35Å; R720-A723 WeakPolarHBondContact O-CB 3.45Å; R720-A723 PolarHBondContact O-N 2.94Å; R720-A723 VanDerWaalsContact O-N 3.1Å; R720-E724 IonicContact CZ-OE1 3.2Å; R720-E724 VanDerWaalsContact CZ-OE1 3.23Å; R720-E724 IonicContact NE-OE1 2.74Å; R720-E724 PolarHBondContact NE-OE1 2.8Å; R720-E724 IonicContact NH2-OE1 3.94Å; R720-E724 PolarHBondContact NH2-OE1 3.03Å; R720-E724 WeakPolarHBondContact O-CG 3.35Å; R720-E724 PolarHBondContact O-N 2.99Å
721	L	86.6	Confident	84.2	Confident	91 Å²	91	108.1 Å²	108.1	48%	0.476	52%	0.524	S	S	.	.	H	α-helix	trans	-59.5	-37.9	177.4	-69.5	171	0	0	0	111.7	E717 E718 E724 A725	E717-L721 HydrophobicContact CG-CD1 4.16Å; E717-L721 HydrophobicContact CG-CG 4.43Å; E717-L721 WeakPolarHBondContact O-CG 3.44Å; E717-L721 PolarHBondContact O-N 3.22Å; E718-L721 PolarHBondContact O-N 2.99Å; L721-E724 PolarHBondContact O-N 2.87Å; L721-A725 WeakPolarHBondContact O-CB 3.33Å; L721-A725 PolarHBondContact O-N 2.86Å
722	R	83	Confident	84.2	Confident	97 Å²	97	112.3 Å²	112.3	37%	0.366	54%	0.535	S	S	.	.	H	α-helix	trans	-72.5	-28	176.9	-169	166.1	176.4	169.9	-7.7	113.2	E718 R720 K726 Q1538	E718-R722 WeakPolarHBondContact O-CB 3.35Å; E718-R722 PolarHBondContact O-N 3.45Å; E718-R722 IonicContact OE1-NH1 2.61Å; E718-R722 PolarHBondContact OE1-NH1 2.9Å; R720-R722 VanDerWaalsContact C-N 3.26Å; R720-R722 PolarHBondContact O-N 3.35Å; R722-K726 WeakPolarHBondContact O-CG 3.37Å; R722-K726 PolarHBondContact O-N 3.2Å; R722-Q1538 VanDerWaalsContact NH2-N 3.19Å
723	A	83.6	Confident	84.3	Confident	58 Å²	58	111.5 Å²	111.5	48%	0.479	53%	0.534	S	S	.	.	H	α-helix	trans	-71	-48.5	169.1	0	0	0	0	0	111.4	L719 R720 A725 K726 E727	L719-A723 WeakPolarHBondContact O-CB 3.47Å; L719-A723 PolarHBondContact O-N 3.38Å; R720-A723 WeakPolarHBondContact O-CB 3.45Å; R720-A723 PolarHBondContact O-N 2.94Å; R720-A723 VanDerWaalsContact O-N 3.1Å; A723-A725 PolarHBondContact O-N 2.82Å; A723-K726 PolarHBondContact O-N 2.75Å; A723-K726 VanDerWaalsContact O-N 3.12Å; A723-E727 PolarHBondContact O-N 2.99Å
724	E	86.5	Confident	84.1	Confident	56 Å²	56	114.6 Å²	114.6	26%	0.262	54%	0.539	S	S	.	.	H	α-helix	trans	-57.8	-36	175.4	-69.4	179.4	-142.2	0	0	112.4	R720 L721 K728	R720-E724 IonicContact CZ-OE1 3.2Å; R720-E724 VanDerWaalsContact CZ-OE1 3.23Å; R720-E724 IonicContact NE-OE1 2.74Å; R720-E724 PolarHBondContact NE-OE1 2.8Å; R720-E724 IonicContact NH2-OE1 3.94Å; R720-E724 PolarHBondContact NH2-OE1 3.03Å; R720-E724 WeakPolarHBondContact O-CG 3.35Å; R720-E724 PolarHBondContact O-N 2.99Å; L721-E724 PolarHBondContact O-N 2.87Å; E724-K728 WeakPolarHBondContact O-CD 3.45Å; E724-K728 WeakPolarHBondContact O-CG 3.45Å; E724-K728 PolarHBondContact O-N 2.79Å; E724-K728 IonicContact OE2-NZ 2.75Å
725	A	87.7	Confident	83.9	Confident	56 Å²	56	115.1 Å²	115.1	46%	0.463	54%	0.539	S	S	.	.	H	α-helix	trans	-66.3	-43.7	175.4	0	0	0	0	0	112.5	L721 A723 E727 K728 E729	L721-A725 WeakPolarHBondContact O-CB 3.33Å; L721-A725 PolarHBondContact O-N 2.86Å; A723-A725 PolarHBondContact O-N 2.82Å; A725-E727 VanDerWaalsContact C-N 3.31Å; A725-E727 PolarHBondContact O-N 3.36Å; A725-K728 PolarHBondContact O-N 2.88Å; A725-E729 WeakPolarHBondContact O-CB 3.44Å; A725-E729 PolarHBondContact O-N 3.06Å
726	K	83.7	Confident	83.7	Confident	84 Å²	84	114 Å²	114	37%	0.365	53%	0.532	S	S	.	.	H	α-helix	trans	-63.2	-36.1	175.8	-77.3	-174.9	176.8	-168.5	0	112.6	R722 A723 E729 K730 N1539 S1540	R722-K726 WeakPolarHBondContact O-CG 3.37Å; R722-K726 PolarHBondContact O-N 3.2Å; A723-K726 PolarHBondContact O-N 2.75Å; A723-K726 VanDerWaalsContact O-N 3.12Å; K726-E729 PolarHBondContact O-N 3.25Å; K726-K730 WeakPolarHBondContact O-CB 3.35Å; K726-K730 PolarHBondContact O-N 2.79Å; K726-N1539 WeakPolarHBondContact CE-OD1 3.32Å; K726-N1539 PolarHBondContact NZ-OD1 3.3Å; K726-S1540 PolarHBondContact NZ-OG 3.07Å
727	E	81.8	Confident	83.5	Confident	144 Å²	144	116.3 Å²	116.3	67%	0.673	54%	0.536	S	S	*	.	H	α-helix	trans	-66.1	-47.3	177.4	-172.5	164.1	-143.1	0	0	111.5	A723 A725 E729 K730 E731	A723-E727 PolarHBondContact O-N 2.99Å; A725-E727 VanDerWaalsContact C-N 3.31Å; A725-E727 PolarHBondContact O-N 3.36Å; E727-E729 VanDerWaalsContact C-N 3.32Å; E727-E729 PolarHBondContact O-N 2.91Å; E727-K730 WeakPolarHBondContact O-CB 3.34Å; E727-K730 PolarHBondContact O-N 2.9Å; E727-E731 PolarHBondContact O-N 3.12Å
728	K	84.2	Confident	83.1	Confident	128 Å²	128	116.3 Å²	116.3	56%	0.557	54%	0.539	S	S	*	.	H	α-helix	trans	-62.8	-35.2	175	-70	162.9	-174.9	155.9	0	112.7	E724 A725 R732	E724-K728 WeakPolarHBondContact O-CD 3.45Å; E724-K728 WeakPolarHBondContact O-CG 3.45Å; E724-K728 PolarHBondContact O-N 2.79Å; E724-K728 IonicContact OE2-NZ 2.75Å; A725-K728 PolarHBondContact O-N 2.88Å; K728-R732 WeakPolarHBondContact O-CB 3.27Å; K728-R732 PolarHBondContact O-N 2.82Å; K728-R732 VanDerWaalsContact O-N 3.12Å
729	E	82.4	Confident	82.8	Confident	101 Å²	101	117.4 Å²	117.4	47%	0.472	54%	0.544	S	S	.	.	H	α-helix	trans	-65.9	-44.2	173.5	-177.6	171.7	-140.7	0	0	111.9	A725 K726 E727 R732 L733	A725-E729 WeakPolarHBondContact O-CB 3.44Å; A725-E729 PolarHBondContact O-N 3.06Å; K726-E729 PolarHBondContact O-N 3.25Å; E727-E729 VanDerWaalsContact C-N 3.32Å; E727-E729 PolarHBondContact O-N 2.91Å; E729-R732 PolarHBondContact O-N 3.28Å; E729-L733 PolarHBondContact O-N 2.77Å
730	K	81.4	Confident	82.5	Confident	148 Å²	148	118.1 Å²	118.1	64%	0.643	54%	0.542	S	S	*	.	H	α-helix	trans	-62.3	-45.8	176.4	-176	-171.9	172.8	-166.2	0	112	K726 E727 R732 L733 E734	K726-K730 WeakPolarHBondContact O-CB 3.35Å; K726-K730 PolarHBondContact O-N 2.79Å; E727-K730 WeakPolarHBondContact O-CB 3.34Å; E727-K730 PolarHBondContact O-N 2.9Å; K730-R732 VanDerWaalsContact C-N 3.32Å; K730-R732 PolarHBondContact O-N 2.81Å; K730-L733 PolarHBondContact O-N 3.33Å; K730-E734 PolarHBondContact O-N 3.13Å
731	E	80.7	Confident	81.9	Confident	140 Å²	140	118.9 Å²	118.9	65%	0.654	55%	0.55	S	S	*	.	H	α-helix	trans	-59.8	-43	176.9	-170.7	-171.7	-175.8	0	0	111.3	E727 L733 E734 K735	E727-E731 PolarHBondContact O-N 3.12Å; E731-L733 PolarHBondContact O-N 2.88Å; E731-E734 PolarHBondContact O-N 3.1Å; E731-K735 WeakPolarHBondContact O-CB 3.43Å; E731-K735 PolarHBondContact O-N 2.84Å
732	R	84.7	Confident	81.3	Confident	194 Å²	194	117.4 Å²	117.4	73%	0.732	55%	0.55	S	S	*	*	H	α-helix	trans	-62.5	-42.8	176.4	-173.6	179.1	177.8	-169.6	-1.1	112.3	K728 E729 K730 K735 E736	K728-R732 WeakPolarHBondContact O-CB 3.27Å; K728-R732 PolarHBondContact O-N 2.82Å; K728-R732 VanDerWaalsContact O-N 3.12Å; E729-R732 PolarHBondContact O-N 3.28Å; K730-R732 VanDerWaalsContact C-N 3.32Å; K730-R732 PolarHBondContact O-N 2.81Å; R732-K735 PolarHBondContact O-N 2.77Å; R732-E736 PolarHBondContact O-N 3.4Å
733	L	82	Confident	80.6	Confident	105 Å²	105	115.4 Å²	115.4	55%	0.55	56%	0.555	S	S	.	*	H	α-helix	trans	-65.4	-37.2	175.9	-93.2	166	0	0	0	112.7	E729 K730 E731 E736 R737	E729-L733 PolarHBondContact O-N 2.77Å; K730-L733 PolarHBondContact O-N 3.33Å; E731-L733 PolarHBondContact O-N 2.88Å; L733-E736 PolarHBondContact O-N 3.01Å; L733-R737 WeakPolarHBondContact O-CB 3.41Å; L733-R737 PolarHBondContact O-N 3.43Å
734	E	81.2	Confident	79.9	Confident	120 Å²	120	116 Å²	116	56%	0.561	56%	0.559	S	S	*	*	H	α-helix	trans	-67.8	-41.4	175.3	-176.6	156.5	-161.6	0	0	111.7	K730 E731 R737 L738	K730-E734 PolarHBondContact O-N 3.13Å; E731-E734 PolarHBondContact O-N 3.1Å; E734-R737 PolarHBondContact O-N 2.86Å; E734-L738 HydrophobicContact CG-CD1 4.49Å; E734-L738 PolarHBondContact O-N 2.88Å
735	K	82.1	Confident	78.8	Confident	154 Å²	154	116.9 Å²	116.9	67%	0.67	58%	0.576	S	S	*	*	H	α-helix	trans	-60.8	-45.6	172.8	-172.6	174.8	-179.2	176.6	0	112.1	E731 R732 R737 L738 E739	E731-K735 WeakPolarHBondContact O-CB 3.43Å; E731-K735 PolarHBondContact O-N 2.84Å; R732-K735 PolarHBondContact O-N 2.77Å; K735-R737 VanDerWaalsContact C-N 3.31Å; K735-R737 PolarHBondContact O-N 3.32Å; K735-L738 PolarHBondContact O-N 2.79Å; K735-E739 WeakPolarHBondContact O-CB 3.14Å; K735-E739 PolarHBondContact O-N 3.45Å
736	E	80.7	Confident	77.6	Confident	79 Å²	79	117.6 Å²	117.6	37%	0.369	58%	0.583	S	S	.	*	H	α-helix	trans	-65.4	-34.5	176.2	-162.5	-166.7	127.5	0	0	112	R732 L733 E739 K740	R732-E736 PolarHBondContact O-N 3.4Å; L733-E736 PolarHBondContact O-N 3.01Å; E736-E739 PolarHBondContact O-N 3.36Å; E736-K740 HydrophobicContact CG-CD 4.43Å; E736-K740 WeakPolarHBondContact O-CB 3.18Å; E736-K740 PolarHBondContact O-N 2.83Å; E736-K740 VanDerWaalsContact OE1-CE 3.25Å; E736-K740 WeakPolarHBondContact OE1-CE 3.16Å; E736-K740 IonicContact OE1-NZ 2.73Å; E736-K740 PolarHBondContact OE1-NZ 2.82Å
737	R	80.4	Confident	76.3	Confident	202 Å²	202	117.5 Å²	117.5	76%	0.762	60%	0.598	S	S	*	*	H	α-helix	trans	-68.3	-38	174.6	-172.3	175.1	-176.6	167.9	1.4	112.2	L733 E734 K735 K741	L733-R737 WeakPolarHBondContact O-CB 3.41Å; L733-R737 PolarHBondContact O-N 3.43Å; E734-R737 PolarHBondContact O-N 2.86Å; K735-R737 VanDerWaalsContact C-N 3.31Å; K735-R737 PolarHBondContact O-N 3.32Å; R737-K741 VanDerWaalsContact O-CB 3.3Å; R737-K741 WeakPolarHBondContact O-CB 3.45Å; R737-K741 PolarHBondContact O-N 2.92Å
738	L	78.1	Confident	75	Confident	113 Å²	113	114.8 Å²	114.8	59%	0.592	60%	0.6	S	S	*	*	H	α-helix	trans	-64.1	-44.9	171.2	-84.5	162.1	0	0	0	111.3	E734 K735 K741 A742	E734-L738 HydrophobicContact CG-CD1 4.49Å; E734-L738 PolarHBondContact O-N 2.88Å; K735-L738 PolarHBondContact O-N 2.79Å; L738-K741 PolarHBondContact O-N 2.78Å; L738-A742 WeakPolarHBondContact O-CB 3.46Å; L738-A742 PolarHBondContact O-N 2.71Å
739	E	78.5	Confident	73.2	Confident	132 Å²	132	115.4 Å²	115.4	62%	0.617	61%	0.609	S	S	*	*	H	α-helix	trans	-65.2	-43.2	178.1	-171.5	165.3	-163.7	0	0	112.1	K735 E736 K741 A742 A743	K735-E739 WeakPolarHBondContact O-CB 3.14Å; K735-E739 PolarHBondContact O-N 3.45Å; E736-E739 PolarHBondContact O-N 3.36Å; E739-K741 VanDerWaalsContact C-N 3.31Å; E739-K741 PolarHBondContact O-N 2.98Å; E739-A742 PolarHBondContact O-N 2.78Å; E739-A743 WeakPolarHBondContact O-CB 3.46Å; E739-A743 PolarHBondContact O-N 2.89Å
740	K	76.3	Confident	71.1	Confident	132 Å²	132	115.9 Å²	115.9	57%	0.574	62%	0.621	S	S	*	*	H	α-helix	trans	-63	-34	171.7	-81.4	172.8	169.8	166.9	0	112.8	E736 A744	E736-K740 HydrophobicContact CG-CD 4.43Å; E736-K740 WeakPolarHBondContact O-CB 3.18Å; E736-K740 PolarHBondContact O-N 2.83Å; E736-K740 VanDerWaalsContact OE1-CE 3.25Å; E736-K740 WeakPolarHBondContact OE1-CE 3.16Å; E736-K740 IonicContact OE1-NZ 2.73Å; E736-K740 PolarHBondContact OE1-NZ 2.82Å; K740-A744 VanDerWaalsContact O-CB 3.32Å; K740-A744 WeakPolarHBondContact O-CB 3.23Å; K740-A744 PolarHBondContact O-N 3.37Å
741	K	74.2	Confident	69.2	Low	162 Å²	162	116.5 Å²	116.5	70%	0.704	63%	0.631	S	S	*	*	H	α-helix	trans	-72.3	-35.8	174.9	-164.6	176.9	-177.2	-175	0	111.9	R737 L738 E739 A745	R737-K741 VanDerWaalsContact O-CB 3.3Å; R737-K741 WeakPolarHBondContact O-CB 3.45Å; R737-K741 PolarHBondContact O-N 2.92Å; L738-K741 PolarHBondContact O-N 2.78Å; E739-K741 VanDerWaalsContact C-N 3.31Å; E739-K741 PolarHBondContact O-N 2.98Å; K741-A745 PolarHBondContact O-N 2.78Å; K741-A745 VanDerWaalsContact O-N 3.08Å
742	A	73.6	Confident	67.4	Low	60 Å²	60	114.9 Å²	114.9	50%	0.496	63%	0.633	S	S	.	*	H	α-helix	trans	-68.2	-42.1	171.6	0	0	0	0	0	111.8	L738 E739 A745 A746	L738-A742 WeakPolarHBondContact O-CB 3.46Å; L738-A742 PolarHBondContact O-N 2.71Å; E739-A742 PolarHBondContact O-N 2.78Å; A742-A745 PolarHBondContact O-N 3.27Å; A742-A746 WeakPolarHBondContact O-CB 3.35Å; A742-A746 PolarHBondContact O-N 2.82Å
743	A	69.8	Low	65.3	Low	56 Å²	56	111.4 Å²	111.4	46%	0.463	63%	0.634	S	S	.	*	H	α-helix	trans	-64.2	-39.8	174.8	0	0	0	0	0	112.1	E739 A745 A746 A747	E739-A743 WeakPolarHBondContact O-CB 3.46Å; E739-A743 PolarHBondContact O-N 2.89Å; A743-A745 VanDerWaalsContact C-N 3.33Å; A743-A745 PolarHBondContact O-N 2.79Å; A743-A746 PolarHBondContact O-N 2.79Å; A743-A747 VanDerWaalsContact O-CB 3.3Å; A743-A747 WeakPolarHBondContact O-CB 3.25Å; A743-A747 PolarHBondContact O-N 2.88Å
744	A	68.4	Low	63.4	Low	69 Å²	69	111.4 Å²	111.4	57%	0.57	64%	0.64	S	S	*	*	H	α-helix	trans	-64.9	-35.1	173	0	0	0	0	0	112.6	K740	K740-A744 VanDerWaalsContact O-CB 3.32Å; K740-A744 WeakPolarHBondContact O-CB 3.23Å; K740-A744 PolarHBondContact O-N 3.37Å
745	A	62.9	Low	61.5	Low	75 Å²	75	112.8 Å²	112.8	62%	0.62	65%	0.65	S	S	*	*	H	α-helix	trans	-70.9	-35.9	172.5	0	0	0	0	0	112.5	K741 A742 A743 A748	K741-A745 PolarHBondContact O-N 2.78Å; K741-A745 VanDerWaalsContact O-N 3.08Å; A742-A745 PolarHBondContact O-N 3.27Å; A743-A745 VanDerWaalsContact C-N 3.33Å; A743-A745 PolarHBondContact O-N 2.79Å; A745-A748 WeakPolarHBondContact O-CB 3.4Å
746	A	61.6	Low	59.8	Low	72 Å²	72	111.3 Å²	111.3	60%	0.595	66%	0.655	S	S	*	*	H	α-helix	trans	-72.3	-34.3	176.2	0	0	0	0	0	112.9	A742 A743 A748 N749	A742-A746 WeakPolarHBondContact O-CB 3.35Å; A742-A746 PolarHBondContact O-N 2.82Å; A743-A746 PolarHBondContact O-N 2.79Å; A746-A748 PolarHBondContact O-N 2.94Å; A746-A748 VanDerWaalsContact O-N 3.12Å; A746-N749 PolarHBondContact O-N 3Å
747	A	57.7	Low	58.2	Low	82 Å²	82	112.8 Å²	112.8	68%	0.678	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-8.3	177.5	0	0	0	0	0	114	A743 N749	A743-A747 VanDerWaalsContact O-CB 3.3Å; A743-A747 WeakPolarHBondContact O-CB 3.25Å; A743-A747 PolarHBondContact O-N 2.88Å; A747-N749 PolarHBondContact O-N 3.25Å
748	A	54.2	Low	55.8	Low	87 Å²	87	110 Å²	110	72%	0.719	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	6.8	176	0	0	0	0	0	114.3	A745 A746	A745-A748 WeakPolarHBondContact O-CB 3.4Å; A746-A748 PolarHBondContact O-N 2.94Å; A746-A748 VanDerWaalsContact O-N 3.12Å
749	N	46.3	Very low	53.8	Low	140 Å²	140	110.8 Å²	110.8	75%	0.749	69%	0.689	S	S	*	*	S	Bend	trans	-138.6	115.3	177.2	-151.9	2.8	0	0	0	111.4	A746 A747	A746-N749 PolarHBondContact O-N 3Å; A747-N749 PolarHBondContact O-N 3.25Å
750	P	39	Very low	51.7	Low	111 Å²	111	109.2 Å²	109.2	72%	0.721	70%	0.699	S	S	*	*			trans	-95.8	128.8	-165.7	34.6	-34	0	0	0	114.7
751	N	40.9	Very low	50.3	Low	162 Å²	162	109.2 Å²	109.2	87%	0.866	71%	0.71	S	S	*	*			trans	-164.8	162	149.4	-109.1	-17.1	0	0	0	111.1
752	P	43	Very low	48.5	Very low	106 Å²	106	106 Å²	106	69%	0.688	71%	0.706	S	S	*	*			trans	-114.8	167.7	-134.8	5.2	19.6	0	0	0	117
753	T	39.7	Very low	46.7	Very low	121 Å²	121	110.8 Å²	110.8	74%	0.742	72%	0.718	S	S	*	*			trans	-21.9	161	143.1	55.2	0	0	0	0	116.9
754	P	43	Very low	44.9	Very low	105 Å²	105	113 Å²	113	68%	0.682	73%	0.73	S	S	*	*			cis	-144.5	162.9	26.1	26.6	-0.4	0	0	0	119.4
755	I	41	Very low	43.2	Very low	149 Å²	149	115.8 Å²	115.8	76%	0.764	75%	0.745	S	S	*	*				37.5	125	124.4	-48.8	168.1	0	0	0	116.6
756	P	46.4	Very low	41.8	Very low	122 Å²	122	116.5 Å²	116.5	79%	0.792	75%	0.751	S	S	*	*				-143.1	164.2	56.2	37.8	-19	0	0	0	119.2
757	P	46.2	Very low	40.4	Very low	111 Å²	111	117.9 Å²	117.9	72%	0.721	75%	0.745	S	S	*	*			trans	-102.9	154.1	170.3	38.9	-32.3	0	0	0	113.8
758	T	31.2	Very low	39.1	Very low	142 Å²	142	118.8 Å²	118.8	87%	0.871	74%	0.735	S	S	*	*			trans	-154.7	143.9	154.7	18.7	0	0	0	0	110.2
759	P	36.6	Very low	38	Very low	130 Å²	130	123.4 Å²	123.4	84%	0.844	74%	0.742	S	S	*	*			trans	-89.3	146.7	-176.4	35.1	-34.2	0	0	0	113
760	A	33.2	Very low	37.6	Very low	99 Å²	99	121.6 Å²	121.6	82%	0.818	74%	0.738	S	S	*	*			trans	-146.9	99.1	167.6	0	0	0	0	0	111.3
761	T	46.5	Very low	37	Very low	133 Å²	133	123.1 Å²	123.1	82%	0.816	74%	0.738	S	S	*	*			trans	-69.4	165.1	136.9	49	0	0	0	0	108.2
762	P	37.6	Very low	37.1	Very low	93 Å²	93	119.9 Å²	119.9	60%	0.604	73%	0.726	S	S	*	*			cis	-129.6	-141.4	9.5	39.6	-19.6	0	0	0	112.2
763	H	35.1	Very low	36.8	Very low	162 Å²	162	119.6 Å²	119.6	75%	0.75	72%	0.724	S	S	*	*			trans	75.6	110.6	179	-45.3	-60.7	0	0	0	114
764	S	31.6	Very low	36.1	Very low	103 Å²	103	118.1 Å²	118.1	72%	0.72	72%	0.717	S	S	*	*			cis	80.2	133.5	47.3	-55.5	0	0	0	0	114.2
765	S	33.4	Very low	35.6	Very low	127 Å²	127	119.5 Å²	119.5	89%	0.888	72%	0.718	S	S	*	*			trans	57.5	64.8	156.8	51.9	0	0	0	0	117.7
766	A	33	Very low	35.3	Very low	89 Å²	89	116.5 Å²	116.5	74%	0.736	71%	0.71	S	S	*	*			trans	-138.7	116.3	150.8	0	0	0	0	0	111.2
767	Q	32.2	Very low	35	Very low	102 Å²	102	116 Å²	116	48%	0.477	71%	0.705	S	S	.	*			trans	-1.3	131.5	149.9	-64.1	140.4	-9.6	0	0	116.9	Q778 T779	Q767-Q778 VanDerWaalsContact CD-O 3.32Å; Q767-Q778 WeakPolarHBondContact CG-O 3.35Å; Q767-Q778 PolarHBondContact NE2-O 2.9Å; Q767-T779 VanDerWaalsContact NE2-CG2 3.28Å; Q767-T779 PolarHBondContact NE2-OG1 3.41Å
768	Q	31	Very low	34.6	Very low	100 Å²	100	118.2 Å²	118.2	47%	0.467	71%	0.706	S	S	.	*			cis	-138.2	166.2	14.1	-61.3	163.7	-54.7	0	0	111.4	L775 T777	Q768-L775 PolarHBondContact OE1-O 2.85Å; Q768-T777 VanDerWaalsContact NE2-N 3.12Å
769	Q	31.9	Very low	35	Very low	184 Å²	184	116.1 Å²	116.1	86%	0.86	69%	0.693	S	S	*	*			trans	-134.8	146.2	171.9	-67.9	-177.3	-22.8	0	0	110.4
770	P	36.6	Very low	34.9	Very low	102 Å²	102	115 Å²	115	66%	0.662	69%	0.688	S	S	*	*	S	Bend	cis	-127.2	72.3	-40.1	35.4	-19.7	0	0	0	109.9
771	I	27.1	Very low	34.9	Very low	143 Å²	143	115 Å²	115	73%	0.733	69%	0.688	S	S	*	*	S	Bend	trans	-131.9	142.8	172.3	-61.6	177.2	0	0	0	107.6
772	P	43.4	Very low	34.4	Very low	95 Å²	95	117.5 Å²	117.5	62%	0.617	69%	0.691	S	S	*	*	S	Bend	cis	-60.9	-31.5	-18.6	-13.9	23.2	0	0	0	115.1	P774	P772-P774 WeakPolarHBondContact CD-O 3.44Å
773	P	35.2	Very low	34.1	Very low	100 Å²	100	119.6 Å²	119.6	65%	0.649	70%	0.695	S	S	*	*	S	Bend	cis	-59.7	149.8	-20.6	-19.8	34.1	0	0	0	112.3
774	P	26.5	Very low	33.8	Very low	90 Å²	90	119 Å²	119	58%	0.584	69%	0.693	S	S	*	*			cis	-135.9	175.6	31	39.5	-20.8	0	0	0	117.6	P772	P772-P774 WeakPolarHBondContact CD-O 3.44Å
775	L	31.7	Very low	33.8	Very low	134 Å²	134	121.9 Å²	121.9	70%	0.702	70%	0.695	S	S	*	*			trans	78.1	151.5	173.7	-77	66.5	0	0	0	119.2	Q768	Q768-L775 PolarHBondContact OE1-O 2.85Å
776	S	34.7	Very low	33.5	Very low	86 Å²	86	120.9 Å²	120.9	60%	0.601	69%	0.688	S	S	*	*			cis	-175.3	108	-41.4	-97.3	0	0	0	0	112.1
777	T	39.4	Very low	33.4	Very low	112 Å²	112	120.8 Å²	120.8	69%	0.687	69%	0.687	S	S	*	*			trans	165.5	137.8	146	37.2	0	0	0	0	117.2	Q768	Q768-T777 VanDerWaalsContact NE2-N 3.12Å
778	Q	39.4	Very low	33.2	Very low	157 Å²	157	124.6 Å²	124.6	73%	0.734	71%	0.705	S	S	*	*			trans	79.5	172.8	148.8	-66.1	-161.3	60.6	0	0	124.8	Q767	Q767-Q778 VanDerWaalsContact CD-O 3.32Å; Q767-Q778 WeakPolarHBondContact CG-O 3.35Å; Q767-Q778 PolarHBondContact NE2-O 2.9Å
779	T	38.5	Very low	33.2	Very low	97 Å²	97	128.5 Å²	128.5	60%	0.595	72%	0.723	S	S	*	*				-146.3	156.5	-122.4	-27.6	0	0	0	0	118.6	Q767	Q767-T779 VanDerWaalsContact NE2-CG2 3.28Å; Q767-T779 PolarHBondContact NE2-OG1 3.41Å
780	S	34.3	Very low	33.5	Very low	108 Å²	108	125.1 Å²	125.1	76%	0.755	72%	0.717	S	S	*	*			trans	89.5	131.2	145.3	-65.5	0	0	0	0	123.9
781	A	32.9	Very low	33.1	Very low	98 Å²	98	125.9 Å²	125.9	81%	0.81	73%	0.725	S	S	*	*			trans	63.7	157.5	161.5	0	0	0	0	0	118.6
782	E	36.6	Very low	33.5	Very low	186 Å²	186	125.3 Å²	125.3	87%	0.869	73%	0.728	S	S	*	*			cis	-139.3	-147.4	-0.6	-148.3	173.4	131.7	0	0	112.5
783	I	31.4	Very low	33	Very low	136 Å²	136	126.5 Å²	126.5	70%	0.697	74%	0.736	S	S	*	*			trans	-129.2	153.8	-150.7	-65.7	172.5	0	0	0	115.6
784	Q	30	Very low	32.8	Very low	151 Å²	151	127.7 Å²	127.7	71%	0.706	74%	0.741	S	S	*	*			trans	76.5	132.1	161.5	-88.6	171.5	-68.7	0	0	119.4
785	Q	30.1	Very low	32.9	Very low	162 Å²	162	128.4 Å²	128.4	76%	0.757	74%	0.743	S	S	*	*				61.2	137.8	92.9	-68.9	176.2	-9.9	0	0	114.8
786	S	28.8	Very low	32.9	Very low	106 Å²	106	129.3 Å²	129.3	74%	0.741	75%	0.746	S	S	*	*			cis	-173.3	153.3	-1.1	49.1	0	0	0	0	114
787	A	29.9	Very low	32.6	Very low	87 Å²	87	132.2 Å²	132.2	72%	0.719	75%	0.753	S	S	*	*			trans	74	148.8	141.9	0	0	0	0	0	124
788	Q	28.7	Very low	32.1	Very low	182 Å²	182	131.2 Å²	131.2	85%	0.85	76%	0.756	S	S	*	*			trans	79.1	114.7	152.6	-73.3	167.3	9	0	0	123.1
789	Q	31.3	Very low	31.6	Very low	182 Å²	182	130.2 Å²	130.2	85%	0.85	76%	0.756	S	S	*	*			trans	0.4	174.2	132	-55.6	-176.2	-30.2	0	0	121.1
790	P	37.7	Very low	31.3	Very low	113 Å²	113	132.4 Å²	132.4	73%	0.734	76%	0.763	S	S	*	*				-140	158.2	-53.2	40	-24.2	0	0	0	113.8
791	S	28.2	Very low	31.2	Very low	119 Å²	119	132.4 Å²	132.4	83%	0.832	76%	0.76	S	S	*	*			trans	-169.9	148.5	156.7	59.1	0	0	0	0	117.3
792	V	35.6	Very low	31	Very low	130 Å²	130	132 Å²	132	79%	0.788	76%	0.756	S	S	*	*			trans	-53.4	170.6	157.8	-62.6	0	0	0	0	113.5
793	P	32.1	Very low	30.7	Very low	121 Å²	121	130.2 Å²	130.2	79%	0.786	75%	0.75	S	S	*	*			cis	-145.9	-176.9	22.3	44.9	-24.4	0	0	0	119.4
794	V	30.9	Very low	30.8	Very low	125 Å²	125	127.2 Å²	127.2	76%	0.758	74%	0.741	S	S	*	*			trans	-67.9	159.2	165.9	172.4	0	0	0	0	111.9
795	T	28.6	Very low	31.2	Very low	104 Å²	104	124.4 Å²	124.4	64%	0.638	74%	0.736	S	S	*	*				157.4	152.9	117.8	-42.9	0	0	0	0	113.7
796	M	31	Very low	31.4	Very low	153 Å²	153	121.5 Å²	121.5	75%	0.754	73%	0.729	S	S	*	*			trans	76.4	118.5	170.7	-52.7	-55.7	175.6	0	0	116.4
797	I	29.5	Very low	31.6	Very low	148 Å²	148	122 Å²	122	76%	0.759	73%	0.733	S	S	*	*			cis	89	137.3	28.8	-55.1	167.9	0	0	0	113.9
798	A	28.6	Very low	31.7	Very low	90 Å²	90	122.6 Å²	122.6	74%	0.744	74%	0.737	S	S	*	*			trans	86.1	147.6	162.1	0	0	0	0	0	120.4
799	N	28.4	Very low	32	Very low	136 Å²	136	122.8 Å²	122.8	73%	0.727	74%	0.738	S	S	*	*			cis	-173.2	148.2	-30.9	-152.8	6.2	0	0	0	111.6
800	I	32.1	Very low	32.1	Very low	144 Å²	144	119.7 Å²	119.7	74%	0.738	73%	0.734	S	S	*	*			trans	51.1	178.7	158.7	47	172.9	0	0	0	120.1
801	P	33.2	Very low	32.1	Very low	108 Å²	108	122.8 Å²	122.8	70%	0.701	74%	0.739	S	S	*	*			cis	-133.4	153.4	-21.5	20.3	3.7	0	0	0	118.1
802	A	28.1	Very low	32.3	Very low	88 Å²	88	122.1 Å²	122.1	73%	0.727	73%	0.731	S	S	*	*				45.1	124.7	129.1	0	0	0	0	0	126.8
803	M	30.3	Very low	31.9	Very low	150 Å²	150	122 Å²	122	74%	0.739	73%	0.731	S	S	*	*				80.5	105.8	123.4	-68.2	173.3	66.3	0	0	125.8
804	S	34.5	Very low	31.9	Very low	72 Å²	72	123.4 Å²	123.4	50%	0.503	73%	0.731	S	S	.	*				66.5	177.9	129.4	80.2	0	0	0	0	120.1
805	P	37.9	Very low	32	Very low	93 Å²	93	122.4 Å²	122.4	60%	0.604	73%	0.729	S	S	*	*			cis	-137.9	171.6	-13.1	40.1	-21.8	0	0	0	117.4
806	T	33.5	Very low	32.4	Very low	101 Å²	101	122.8 Å²	122.8	62%	0.62	73%	0.734	S	S	*	*			trans	57.2	124.7	144.8	48.3	0	0	0	0	126.3
807	S	33.4	Very low	32.4	Very low	116 Å²	116	121.5 Å²	121.5	81%	0.811	73%	0.734	S	S	*	*				90.3	153.8	123.1	78.4	0	0	0	0	124.2
808	A	32.8	Very low	32.4	Very low	99 Å²	99	119.7 Å²	119.7	82%	0.818	74%	0.735	S	S	*	*			trans	115.3	133.7	151.8	0	0	0	0	0	119.5
809	Q	33.9	Very low	32.6	Very low	187 Å²	187	120 Å²	120	87%	0.874	74%	0.737	S	S	*	*			trans	-62.6	168	169.8	-90.7	-179.5	-25	0	0	113
810	P	34.2	Very low	32.6	Very low	116 Å²	116	117.1 Å²	117.1	75%	0.753	73%	0.733	S	S	*	*			cis	-148.5	177.1	34.8	45.4	-26	0	0	0	119.1
811	Q	36.6	Very low	32.6	Very low	179 Å²	179	116.2 Å²	116.2	84%	0.836	73%	0.733	S	S	*	*			trans	-63.5	150.8	151.5	-76.8	-167.2	0.1	0	0	109.7
812	P	32.5	Very low	32.5	Very low	104 Å²	104	116.8 Å²	116.8	68%	0.675	74%	0.737	S	S	*	*				-160.3	163.2	74.3	41.7	-19.5	0	0	0	120.2
813	V	27.3	Very low	32.9	Very low	128 Å²	128	117.9 Å²	117.9	78%	0.776	74%	0.735	S	S	*	*			trans	61.5	163.5	147.6	-64.7	0	0	0	0	123.1
814	L	32.5	Very low	32.8	Very low	150 Å²	150	115.6 Å²	115.6	79%	0.785	73%	0.731	S	S	*	*			trans	82.6	75.8	162.8	-52.6	-171.8	0	0	0	118.8
815	S	34.2	Very low	32.6	Very low	104 Å²	104	118 Å²	118	73%	0.727	74%	0.743	S	S	*	*				-26.9	149.3	127	53.3	0	0	0	0	114.6
816	P	36.2	Very low	32	Very low	113 Å²	113	119.1 Å²	119.1	73%	0.734	75%	0.748	S	S	*	*				-153.2	142.1	80.2	39.1	-19	0	0	0	119.2
817	T	30	Very low	31.6	Very low	125 Å²	125	122.4 Å²	122.4	77%	0.767	76%	0.759	S	S	*	*				73.6	129.8	125.3	-60.1	0	0	0	0	123.1
818	S	30.5	Very low	31.2	Very low	110 Å²	110	124.7 Å²	124.7	77%	0.769	76%	0.76	S	S	*	*			trans	66	154.3	157.3	-69.7	0	0	0	0	118.9
819	A	33.2	Very low	30.9	Very low	96 Å²	96	127.3 Å²	127.3	79%	0.793	76%	0.755	S	S	*	*			cis	-120.2	136.3	0.7	0	0	0	0	0	109.7
820	A	27.2	Very low	30.7	Very low	77 Å²	77	122.6 Å²	122.6	64%	0.636	74%	0.739	S	S	*	*			cis	87.3	111.9	48.6	0	0	0	0	0	113.9
821	V	33.4	Very low	30.4	Very low	124 Å²	124	123.1 Å²	123.1	75%	0.752	74%	0.742	S	S	*	*			trans	25.1	135.5	147.1	-97.4	0	0	0	0	120	V823	V821-V823 HydrophobicContact CG1-CG2 4.12Å
822	P	29.7	Very low	30.3	Very low	120 Å²	120	120.3 Å²	120.3	78%	0.779	73%	0.727	S	S	*	*				-133.1	144.8	76.6	37.8	-27.5	0	0	0	116.7
823	V	36.5	Very low	30.5	Very low	112 Å²	112	121.4 Å²	121.4	68%	0.679	73%	0.734	S	S	*	*			trans	-88.4	132.1	159	-160.9	0	0	0	0	108.4	V821	V821-V823 HydrophobicContact CG1-CG2 4.12Å
824	P	30	Very low	30.5	Very low	102 Å²	102	118.7 Å²	118.7	66%	0.662	72%	0.721	S	S	*	*			trans	-120.5	134.5	134.5	33.4	-26.6	0	0	0	108.9
825	T	28.6	Very low	30.4	Very low	122 Å²	122	119.3 Å²	119.3	75%	0.748	72%	0.72	S	S	*	*			cis	61.6	56.3	23.9	-42.1	0	0	0	0	113.6
826	T	25.8	Very low	30.2	Very low	117 Å²	117	121.8 Å²	121.8	72%	0.718	72%	0.723	S	S	*	*			trans	-164.8	126.1	145.3	9.1	0	0	0	0	106.3
827	M	24.6	Very low	29.7	Very low	170 Å²	170	121.8 Å²	121.8	84%	0.837	72%	0.723	S	S	*	*				63.7	150.7	91.7	-67.2	-69.4	-180	0	0	114.3
828	I	25.9	Very low	29.5	Very low	163 Å²	163	122.1 Å²	122.1	84%	0.836	73%	0.725	S	S	*	*			trans	77.6	98.6	-173.6	-49.1	167.8	0	0	0	111
829	H	25.6	Very low	29.4	Very low	154 Å²	154	125.5 Å²	125.5	71%	0.713	73%	0.729	S	S	*	*				85.1	103.2	54.9	-172.4	95.2	0	0	0	113.1
830	V	29.6	Very low	29	Very low	89 Å²	89	127.6 Å²	127.6	54%	0.539	73%	0.726	S	S	.	*				46.2	124	124.2	158.8	0	0	0	0	117.1	K832	V830-K832 HydrophobicContact CG1-CB 4.25Å
831	P	28.9	Very low	29	Very low	126 Å²	126	130.1 Å²	130.1	82%	0.818	73%	0.734	S	S	*	*				-125.9	95	104.1	34.5	-28.6	0	0	0	114	P833	P831-P833 WeakPolarHBondContact O-CD 3.3Å
832	K	34.9	Very low	28.7	Very low	121 Å²	121	128.3 Å²	128.3	53%	0.526	73%	0.731	S	S	.	*			trans	-65	128	136.8	-178	-152.1	-178.3	-178.2	0	108.3	V830 S834 E835	V830-K832 HydrophobicContact CG1-CB 4.25Å; K832-S834 PolarHBondContact O-OG 2.81Å; K832-E835 IonicContact NZ-OE2 2.86Å; K832-E835 PolarHBondContact NZ-OE2 2.78Å
833	P	35.8	Very low	28.6	Very low	127 Å²	127	128 Å²	128	83%	0.825	73%	0.728	S	S	*	*			trans	-102.9	85.2	149.8	31.9	-24.2	0	0	0	107.4	P831	P831-P833 WeakPolarHBondContact O-CD 3.3Å
834	S	27.2	Very low	28.3	Very low	71 Å²	71	129 Å²	129	50%	0.497	73%	0.734	S	S	.	*				93.6	118.8	57	-74.5	0	0	0	0	110.5	K832 I836	K832-S834 PolarHBondContact O-OG 2.81Å; S834-I836 PolarHBondContact O-N 3.48Å
835	E	30.5	Very low	28.3	Very low	162 Å²	162	128.4 Å²	128.4	76%	0.757	74%	0.738	S	S	*	*			trans	-65.3	130.5	171.7	-64.3	131.9	100	0	0	109.6	K832	K832-E835 IonicContact NZ-OE2 2.86Å; K832-E835 PolarHBondContact NZ-OE2 2.78Å
836	I	29.2	Very low	28.5	Very low	156 Å²	156	127 Å²	127	80%	0.8	74%	0.739	S	S	*	*			trans	-131.1	138.4	161.4	-66.6	-173.4	0	0	0	105.9	S834	S834-I836 PolarHBondContact O-N 3.48Å
837	P	27.4	Very low	29.1	Very low	113 Å²	113	127 Å²	127	73%	0.734	74%	0.74	S	S	*	*			trans	-98.4	178.2	-146.9	38.7	-38.7	0	0	0	114.8	Q839	P837-Q839 PolarHBondContact O-N 3.37Å
838	V	26.1	Very low	29.6	Very low	132 Å²	132	125.3 Å²	125.3	80%	0.8	74%	0.74	S	S	*	*			trans	-23.4	113.7	155.6	-173.1	0	0	0	0	113.9
839	Q	26.5	Very low	30	Very low	182 Å²	182	121.8 Å²	121.8	85%	0.85	73%	0.734	S	S	*	*			trans	-159.6	152.7	131.2	-115.8	170.2	4.4	0	0	114.1	P837	P837-Q839 PolarHBondContact O-N 3.37Å
840	N	25.4	Very low	30.4	Very low	140 Å²	140	118.5 Å²	118.5	75%	0.749	73%	0.734	S	S	*	*			trans	-47.5	159.4	170.9	-45.8	-10.8	0	0	0	111.2
841	V	26.7	Very low	30.8	Very low	130 Å²	130	120.3 Å²	120.3	79%	0.788	74%	0.741	S	S	*	*				-160.3	124.6	52.9	168	0	0	0	0	111.4
842	A	27.9	Very low	31.1	Very low	85 Å²	85	120.6 Å²	120.6	70%	0.702	74%	0.736	S	S	*	*			trans	57.7	173	150.4	0	0	0	0	0	118.1
843	T	28.6	Very low	31.1	Very low	114 Å²	114	120.7 Å²	120.7	70%	0.699	75%	0.746	S	S	*	*			cis	-148.5	147	3.4	-31.3	0	0	0	0	109.2
844	T	29	Very low	31.1	Very low	132 Å²	132	120.1 Å²	120.1	81%	0.81	74%	0.742	S	S	*	*			trans	57.3	153.5	158.9	42.4	0	0	0	0	118.2
845	A	30	Very low	32	Very low	91 Å²	91	122.3 Å²	122.3	75%	0.752	76%	0.755	S	S	*	*			cis	-179.1	156.5	-17.9	0	0	0	0	0	105.7
846	A	33.8	Very low	32.1	Very low	92 Å²	92	120.2 Å²	120.2	76%	0.76	76%	0.758	S	S	*	*			cis	-148.9	156.9	-12.6	0	0	0	0	0	109.1
847	P	36.5	Very low	32.5	Very low	116 Å²	116	118.4 Å²	118.4	75%	0.753	76%	0.756	S	S	*	*			trans	-94.2	175.4	170.6	40	-35.7	0	0	0	111.7
848	V	35.6	Very low	32.9	Very low	136 Å²	136	117.7 Å²	117.7	82%	0.824	76%	0.76	S	S	*	*			trans	-152.9	104.5	137.9	155.6	0	0	0	0	103.9
849	A	34.8	Very low	33.4	Very low	88 Å²	88	116.4 Å²	116.4	73%	0.727	75%	0.754	S	S	*	*				67.8	144.9	79.1	0	0	0	0	0	112.3
850	A	34.7	Very low	33.6	Very low	86 Å²	86	116.6 Å²	116.6	71%	0.711	75%	0.753	S	S	*	*			cis	-156	179.3	4.7	0	0	0	0	0	108.6
851	N	37.2	Very low	33.9	Very low	127 Å²	127	119.8 Å²	119.8	68%	0.679	76%	0.76	S	S	*	*			cis	-163	150.1	6.2	-133.5	-5.3	0	0	0	110.3
852	N	34.3	Very low	34.1	Very low	132 Å²	132	119.3 Å²	119.3	71%	0.706	76%	0.758	S	S	*	*			trans	50.4	147.1	138.6	-65.1	-9.4	0	0	0	122.9
853	V	35.5	Very low	34.4	Very low	122 Å²	122	124.2 Å²	124.2	74%	0.739	77%	0.766	S	S	*	*			cis	-155.5	156.3	-7.9	116.7	0	0	0	0	109.7
854	P	36.3	Very low	34.4	Very low	116 Å²	116	125.8 Å²	125.8	75%	0.753	77%	0.77	S	S	*	*			trans	-113.1	-111.2	-162.9	23.4	1.3	0	0	0	116.7
855	P	46.3	Very low	34.5	Very low	116 Å²	116	125.9 Å²	125.9	75%	0.753	76%	0.764	S	S	*	*				-131.3	-175.3	-122.6	42.7	-25.2	0	0	0	115.8
856	S	32.3	Very low	34.4	Very low	119 Å²	119	129.1 Å²	129.1	83%	0.832	76%	0.764	S	S	*	*			trans	-160.2	136.2	147.8	-161	0	0	0	0	114.4
857	P	38.1	Very low	34.2	Very low	117 Å²	117	130.6 Å²	130.6	76%	0.76	76%	0.763	S	S	*	*			trans	-118	168.2	171.5	40.8	-31.6	0	0	0	114.1
858	A	35.7	Very low	34.1	Very low	99 Å²	99	130.4 Å²	130.4	82%	0.818	76%	0.762	S	S	*	*			trans	-161.4	151.3	158.5	0	0	0	0	0	113.6
859	P	36.5	Very low	33.8	Very low	104 Å²	104	129.4 Å²	129.4	68%	0.675	76%	0.757	S	S	*	*			trans	-134.6	-170.2	-168.7	25.9	0.8	0	0	0	116.8
860	F	29.9	Very low	33.8	Very low	186 Å²	186	132.9 Å²	132.9	82%	0.816	76%	0.762	S	S	*	*			trans	83.2	124.3	163.2	-56.5	-74	0	0	0	120.9
861	K	32.4	Very low	33.6	Very low	207 Å²	207	132.2 Å²	132.2	90%	0.9	76%	0.757	S	S	*	*				-168.9	179.2	98.2	-103.9	-175	178.7	-172.6	0	113.2
862	T	31.1	Very low	33.2	Very low	120 Å²	120	134.4 Å²	134.4	74%	0.736	76%	0.763	S	S	*	*			trans	-135.9	143.1	-163.2	-47.5	0	0	0	0	111.3
863	E	33.9	Very low	32.9	Very low	188 Å²	188	133.7 Å²	133.7	88%	0.879	76%	0.759	S	S	*	*			trans	-175	134.8	144	-101.1	159	-163.7	0	0	106.2
864	D	27.4	Very low	32.6	Very low	148 Å²	148	132.4 Å²	132.4	79%	0.791	75%	0.752	S	S	*	*			cis	110.9	162.4	24.6	-136.6	-33.9	0	0	0	112.1
865	I	32.1	Very low	32.2	Very low	133 Å²	133	130.6 Å²	130.6	68%	0.682	74%	0.738	S	S	*	*			trans	100.5	99.1	171.4	-58.1	176.1	0	0	0	119.5
866	Q	28.7	Very low	31.6	Very low	160 Å²	160	130.2 Å²	130.2	75%	0.748	74%	0.736	S	S	*	*			trans	64.3	114.4	130.1	-65.5	169.4	20.4	0	0	121
867	T	28.6	Very low	31.4	Very low	122 Å²	122	133.6 Å²	133.6	75%	0.748	73%	0.73	S	S	*	*				66.7	148.9	78	63	0	0	0	0	115.9
868	P	35	Very low	30.8	Very low	112 Å²	112	133.9 Å²	133.9	73%	0.727	73%	0.73	S	S	*	*			cis	-117.6	162.3	13.7	18.2	6.8	0	0	0	115
869	T	29.2	Very low	30.4	Very low	115 Å²	115	136.6 Å²	136.6	71%	0.706	73%	0.729	S	S	*	*				65.4	118	67.8	-19.8	0	0	0	0	112.5
870	L	33.7	Very low	30	Very low	162 Å²	162	134.3 Å²	134.3	85%	0.848	72%	0.715	S	S	*	*				-157.7	138.4	84	-140.9	78.3	0	0	0	115.4
871	A	31.4	Very low	29.9	Very low	72 Å²	72	129.8 Å²	129.8	60%	0.595	70%	0.703	S	S	*	*			trans	36.7	141.5	146.2	0	0	0	0	0	122.2
872	Q	28.3	Very low	29.6	Very low	173 Å²	173	123.5 Å²	123.5	81%	0.808	68%	0.679	S	S	*	*			cis	66.1	150.1	37.8	-51	-179.9	-32.4	0	0	112.3
873	N	27.9	Very low	29.6	Very low	117 Å²	117	121.5 Å²	121.5	63%	0.626	68%	0.675	S	S	*	*			cis	-163.1	172.5	7	-142.1	0.4	0	0	0	113.1
874	T	29.5	Very low	29.3	Very low	95 Å²	95	118.1 Å²	118.1	58%	0.583	67%	0.673	S	S	*	*			trans	72.7	130.9	147	-40.2	0	0	0	0	122.4
875	V	28.3	Very low	29.4	Very low	77 Å²	77	114.6 Å²	114.6	47%	0.467	67%	0.671	S	S	.	*			trans	-50.2	-172.5	154.6	-98.6	0	0	0	0	115.4
876	P	32.7	Very low	29.3	Very low	108 Å²	108	115.8 Å²	115.8	70%	0.701	68%	0.678	S	S	*	*			cis	-132.8	-173.1	-5.4	34.3	-12.4	0	0	0	115.8
877	R	28	Very low	29.2	Very low	190 Å²	190	113.9 Å²	113.9	72%	0.717	68%	0.677	S	S	*	*			trans	22.8	116.5	150.9	-72.7	-176.3	176.8	168.9	1.2	121.2
878	T	25.6	Very low	29.2	Very low	123 Å²	123	115.1 Å²	115.1	76%	0.755	68%	0.677	S	S	*	*				55.3	108.3	126.4	-34.9	0	0	0	0	120.6
879	I	27.9	Very low	28.8	Very low	156 Å²	156	115.6 Å²	115.6	80%	0.8	67%	0.674	S	S	*	*				176.9	123.7	124.3	-91.1	158.4	0	0	0	111.6
880	S	28.3	Very low	28.8	Very low	56 Å²	56	116 Å²	116	39%	0.392	68%	0.676	S	S	.	*			trans	43	125.5	145.8	-49.4	0	0	0	0	126.4	Q1366	S880-Q1366 VanDerWaalsContact OG-CD 3.23Å; S880-Q1366 PolarHBondContact OG-NE2 3.43Å; S880-Q1366 PolarHBondContact OG-OE1 3.49Å
881	T	27.5	Very low	29	Very low	91 Å²	91	113.8 Å²	113.8	56%	0.558	67%	0.671	S	S	*	*				83.5	132.4	128.6	49.1	0	0	0	0	125.4	P1365 Q1366	T881-P1365 HydrophobicContact CG2-CG 3.59Å; T881-Q1366 HydrophobicContact CG2-CG 3.94Å
882	D	26.2	Very low	28.9	Very low	75 Å²	75	115 Å²	115	40%	0.401	68%	0.682	S	S	.	*			trans	65.6	94.4	142.9	-68.6	13	0	0	0	124	T1364	D882-T1364 WeakPolarHBondContact OD1-CB 3.21Å; D882-T1364 PolarHBondContact OD1-OG1 2.94Å; D882-T1364 PolarHBondContact OD2-OG1 3.07Å
883	A	31.4	Very low	29.1	Very low	78 Å²	78	111.9 Å²	111.9	65%	0.645	68%	0.679	S	S	*	*				67.5	151	104.7	0	0	0	0	0	124.1
884	S	28.2	Very low	29.2	Very low	118 Å²	118	114 Å²	114	83%	0.825	69%	0.689	S	S	*	*			trans	84.5	80.3	152.2	-57.9	0	0	0	0	121.8
885	G	30	Very low	29.3	Very low	73 Å²	73	113.4 Å²	113.4	75%	0.753	69%	0.693	S	S	*	*				65.7	122.4	100.8	0	0	0	0	0	123.2
886	L	28.1	Very low	29.6	Very low	159 Å²	159	115.3 Å²	115.3	83%	0.832	71%	0.71	S	S	*	*			trans	-155.3	119.1	151.2	-135.8	69.8	0	0	0	106.2
887	V	27.4	Very low	29.9	Very low	120 Å²	120	116.5 Å²	116.5	73%	0.727	72%	0.717	S	S	*	*			cis	88.7	146.6	43.3	179.7	0	0	0	0	112.8
888	I	28.1	Very low	30.5	Very low	148 Å²	148	110.6 Å²	110.6	76%	0.759	71%	0.705	S	S	*	*			trans	101	135.6	-179.6	-57.2	164.8	0	0	0	114.8
889	N	26.5	Very low	31.2	Very low	122 Å²	122	110.1 Å²	110.1	65%	0.652	71%	0.705	S	S	*	*			cis	-174.4	123.4	-41.1	-100.4	-4.3	0	0	0	112.4
890	T	30.6	Very low	32	Very low	123 Å²	123	106.2 Å²	106.2	76%	0.755	70%	0.695	S	S	*	*				62.7	-174.8	129.4	68.1	0	0	0	0	122.5
891	P	36.9	Very low	32.7	Very low	115 Å²	115	109 Å²	109	75%	0.747	71%	0.712	S	S	*	*				-140.2	-167.2	-83.9	46.1	-28.6	0	0	0	118.5
892	A	29.6	Very low	33.2	Very low	99 Å²	99	109.8 Å²	109.8	82%	0.818	72%	0.721	S	S	*	*			trans	81.7	159.2	155.1	0	0	0	0	0	121.4
893	S	31.4	Very low	33.8	Very low	106 Å²	106	110.4 Å²	110.4	74%	0.741	74%	0.737	S	S	*	*			cis	-175.3	174.7	-29	-168.1	0	0	0	0	113
894	I	30.5	Very low	34	Very low	163 Å²	163	112.9 Å²	112.9	84%	0.836	74%	0.744	S	S	*	*			trans	78.5	161.2	162.6	-53.4	169.9	0	0	0	118.9
895	A	31.4	Very low	34.3	Very low	81 Å²	81	114 Å²	114	67%	0.669	74%	0.741	S	S	*	*				-171.3	141.6	-79.6	0	0	0	0	0	115.7
896	S	35.1	Very low	34.4	Very low	118 Å²	118	116.4 Å²	116.4	83%	0.825	74%	0.741	S	S	*	*			trans	55.2	173.1	150.2	-59.6	0	0	0	0	122.5
897	P	38.6	Very low	34.4	Very low	132 Å²	132	113.4 Å²	113.4	86%	0.857	74%	0.739	S	S	*	*			cis	-131.2	-163.4	-19.2	33.4	-9.8	0	0	0	116.2
898	S	42	Very low	34.6	Very low	66 Å²	66	112.7 Å²	112.7	46%	0.462	74%	0.739	S	S	.	*			trans	-81.4	-173.8	178.3	-127.9	0	0	0	0	114.6
899	P	39.9	Very low	34.7	Very low	114 Å²	114	111 Å²	111	74%	0.74	74%	0.736	S	S	*	*			cis	-144.3	-160.9	25.9	44.5	-21.6	0	0	0	118.1
900	A	44.1	Very low	35	Very low	73 Å²	73	111.7 Å²	111.7	60%	0.603	75%	0.745	S	S	*	*			trans	-97.9	-159.6	178.7	0	0	0	0	0	112.7
901	P	43.5	Very low	35.6	Very low	116 Å²	116	110.3 Å²	110.3	75%	0.753	75%	0.745	S	S	*	*			cis	-140.9	-168	-6.2	38.4	-15.7	0	0	0	116.5
902	S	38.5	Very low	35.9	Very low	106 Å²	106	110.3 Å²	110.3	74%	0.741	75%	0.745	S	S	*	*			trans	115.4	112.7	145.7	-44.6	0	0	0	0	121.5
903	A	36.9	Very low	36.2	Very low	89 Å²	89	111.5 Å²	111.5	74%	0.736	74%	0.742	S	S	*	*				65.5	151.3	125.4	0	0	0	0	0	125.9
904	T	36.4	Very low	36.4	Very low	129 Å²	129	112.1 Å²	112.1	79%	0.791	74%	0.742	S	S	*	*			trans	81.1	103.3	145.7	28.5	0	0	0	0	123.3
905	D	34.4	Very low	36.7	Very low	141 Å²	141	110 Å²	110	75%	0.754	74%	0.739	S	S	*	*				105.3	152.9	108.2	-129.5	-17.9	0	0	0	123.2
906	V	31.3	Very low	37.1	Very low	125 Å²	125	110 Å²	110	76%	0.758	74%	0.739	S	S	*	*			trans	55.8	136.3	161.9	-77.5	0	0	0	0	125.3
907	A	30.1	Very low	37.2	Very low	96 Å²	96	109.6 Å²	109.6	79%	0.793	73%	0.733	S	S	*	*			trans	99	124.1	135.7	0	0	0	0	0	122.2
908	S	30.9	Very low	36.8	Very low	104 Å²	104	109.4 Å²	109.4	73%	0.727	73%	0.73	S	S	*	*			trans	-48.8	170.9	157.4	53.9	0	0	0	0	114.4
909	T	31	Very low	36.8	Very low	114 Å²	114	111.4 Å²	111.4	70%	0.699	74%	0.741	S	S	*	*				-171.8	174.8	56	-36.1	0	0	0	0	113.1
910	T	31.9	Very low	36.2	Very low	136 Å²	136	112.3 Å²	112.3	83%	0.834	75%	0.745	S	S	*	*			trans	76.9	124.6	159.5	42.6	0	0	0	0	120.6
911	A	43.5	Very low	35.4	Very low	93 Å²	93	114.2 Å²	114.2	77%	0.769	75%	0.749	S	S	*	*			trans	-86.1	-166	157.3	0	0	0	0	0	109.4
912	P	43.3	Very low	34.6	Very low	115 Å²	115	114.7 Å²	114.7	75%	0.747	75%	0.75	S	S	*	*			cis	-134.4	-163.1	37.1	29.4	-1.6	0	0	0	111.9
913	V	34.6	Very low	34.1	Very low	124 Å²	124	114.7 Å²	114.7	75%	0.752	75%	0.746	S	S	*	*			cis	-141.9	137.3	10.6	-154.2	0	0	0	0	111.7
914	T	36.1	Very low	33.7	Very low	120 Å²	120	117.9 Å²	117.9	74%	0.736	75%	0.75	S	S	*	*			trans	-23.6	174.3	134.5	17.7	0	0	0	0	117.3
915	P	37.6	Very low	33.2	Very low	118 Å²	118	115.8 Å²	115.8	77%	0.766	75%	0.754	S	S	*	*			cis	-138.1	166.6	15.3	46.7	-30.4	0	0	0	117.8
916	A	39.6	Very low	32.8	Very low	81 Å²	81	112.8 Å²	112.8	67%	0.669	76%	0.757	S	S	*	*			trans	-76.2	-173.2	149.5	0	0	0	0	0	109.9
917	P	36.8	Very low	32.6	Very low	109 Å²	109	111.8 Å²	111.8	71%	0.708	76%	0.762	S	S	*	*				-154.5	126.8	92.2	40.3	-21.2	0	0	0	115.1
918	T	30.8	Very low	32.5	Very low	129 Å²	129	112.1 Å²	112.1	79%	0.791	76%	0.764	S	S	*	*				90	151.6	107.2	60	0	0	0	0	117
919	P	41.3	Very low	32.4	Very low	107 Å²	107	111.9 Å²	111.9	70%	0.695	77%	0.769	S	S	*	*			trans	-106.8	-176.4	-170.5	42.7	-36.6	0	0	0	113.6
920	T	27.3	Very low	32.3	Very low	134 Å²	134	110.9 Å²	110.9	82%	0.822	77%	0.772	S	S	*	*			trans	-151.7	114.3	135.3	1.2	0	0	0	0	112.3
921	T	27.4	Very low	32.1	Very low	113 Å²	113	109.6 Å²	109.6	69%	0.693	77%	0.769	S	S	*	*				21.1	131.2	128.3	-33.7	0	0	0	0	119.3
922	T	27.5	Very low	31.4	Very low	126 Å²	126	110.9 Å²	110.9	77%	0.773	77%	0.767	S	S	*	*				176.6	100.4	114.4	-69.7	0	0	0	0	113.1
923	T	28	Very low	30.7	Very low	105 Å²	105	111.2 Å²	111.2	64%	0.644	77%	0.768	S	S	*	*				61.8	118.7	125.9	-44.1	0	0	0	0	122.9
924	D	27.2	Very low	30.4	Very low	156 Å²	156	110.6 Å²	110.6	83%	0.834	76%	0.764	S	S	*	*			trans	48.3	125.5	146.2	-54.1	-20.6	0	0	0	123.9
925	G	27.7	Very low	30.1	Very low	85 Å²	85	114.2 Å²	114.2	88%	0.876	77%	0.772	S	S	*	*				130.4	81.1	119.8	0	0	0	0	0	119.6
926	G	25.6	Very low	29.7	Very low	79 Å²	79	115.5 Å²	115.5	81%	0.814	77%	0.773	S	S	*	*			trans	150.4	109.3	152.9	0	0	0	0	0	119.4
927	A	27.1	Very low	29.3	Very low	104 Å²	104	121.5 Å²	121.5	86%	0.86	78%	0.784	S	S	*	*			trans	59.2	129.4	144.9	0	0	0	0	0	123.4
928	A	27.4	Very low	28.9	Very low	102 Å²	102	124.5 Å²	124.5	84%	0.843	79%	0.789	S	S	*	*			trans	91.3	134.3	141.8	0	0	0	0	0	122.4
929	A	29.6	Very low	28.7	Very low	100 Å²	100	125.4 Å²	125.4	83%	0.826	78%	0.784	S	S	*	*			trans	93.2	128.5	148.8	0	0	0	0	0	122.5
930	A	28.7	Very low	28.1	Very low	93 Å²	93	127.8 Å²	127.8	77%	0.769	78%	0.783	S	S	*	*			trans	82.1	117.3	144.6	0	0	0	0	0	123.3
931	S	27.6	Very low	28.2	Very low	108 Å²	108	132.9 Å²	132.9	76%	0.755	79%	0.788	S	S	*	*			trans	88.8	139.5	142.2	80.1	0	0	0	0	122
932	T	28	Very low	28.3	Very low	120 Å²	120	137.4 Å²	137.4	74%	0.736	80%	0.797	S	S	*	*			trans	78.1	142.5	161	-22.5	0	0	0	0	118.9
933	T	27.9	Very low	28.4	Very low	123 Å²	123	136.1 Å²	136.1	76%	0.755	79%	0.794	S	S	*	*			trans	62.2	147.4	168.5	42.5	0	0	0	0	119
934	T	29.4	Very low	28.8	Very low	110 Å²	110	138.7 Å²	138.7	68%	0.675	80%	0.804	S	S	*	*			cis	-173.3	137.4	-36.8	17.8	0	0	0	0	107.2
935	E	30.6	Very low	29.6	Very low	196 Å²	196	137.1 Å²	137.1	92%	0.916	79%	0.789	S	S	*	*			trans	-140.8	153.6	153	-81.1	-146.2	130.6	0	0	110.9
936	N	28.1	Very low	31.1	Very low	146 Å²	146	140.1 Å²	140.1	78%	0.781	77%	0.774	S	S	*	*			trans	-118.9	147.4	-164.4	-72.1	-63.8	0	0	0	113.3
937	K	30.8	Very low	33.7	Very low	206 Å²	206	141.9 Å²	141.9	90%	0.896	76%	0.759	S	S	*	*			trans	-154	73.1	145.6	-125.1	167.4	-173.1	170	0	114.7
938	E	28.4	Very low	36.6	Very low	173 Å²	173	137 Å²	137	81%	0.808	72%	0.719	S	S	*	*				28.9	116.1	129.5	-173.5	174.1	-160.7	0	0	119.6
939	E	26.8	Very low	39.6	Very low	148 Å²	148	132.8 Å²	132.8	69%	0.692	68%	0.682	S	S	*	*				-167	122.1	117.1	-96.7	-143.5	100.6	0	0	114.6
940	K	28.3	Very low	42.6	Very low	157 Å²	157	128 Å²	128	68%	0.683	64%	0.643	S	S	*	*			trans	35.2	105.9	145.4	-59.9	-176.8	-175.3	107.6	0	121.3
941	R	29.5	Very low	45.7	Very low	241 Å²	241	125.3 Å²	125.3	91%	0.909	62%	0.615	S	S	*	*				165.8	130.3	104.7	-91.9	152.5	172.9	176.5	-1.9	116.7
942	K	30.3	Very low	48.8	Very low	207 Å²	207	120.3 Å²	120.3	90%	0.9	58%	0.58	S	S	*	*			trans	59.1	110.5	146.5	-153.3	168.1	-171.5	174.8	0	119.2
943	S	29.4	Very low	51.8	Low	99 Å²	99	118.3 Å²	118.3	69%	0.692	56%	0.564	S	S	*	*			trans	-83.6	138.6	179	50.1	0	0	0	0	114.5
944	N	36.3	Very low	54.6	Low	160 Å²	160	113.3 Å²	113.3	86%	0.856	54%	0.537	S	S	*	.			trans	-91.3	102.2	169.1	-81.6	-17.9	0	0	0	110.2	R946	N944-R946 PolarHBondContact O-N 3.25Å
945	K	43.3	Very low	57.2	Low	122 Å²	122	109.9 Å²	109.9	53%	0.53	52%	0.517	S	S	.	.			trans	-65.7	128.1	173.6	-65.7	-158.2	172.7	-152.3	0	110.6	V1033 D1035	K945-V1033 HydrophobicContact CB-CG1 3.99Å; K945-V1033 HydrophobicContact CD-CG1 3.78Å; K945-V1033 HydrophobicContact CG-CG1 4.45Å; K945-D1035 VanDerWaalsContact CE-OD1 3.27Å; K945-D1035 WeakPolarHBondContact CE-OD1 3.27Å; K945-D1035 IonicContact NZ-OD1 2.76Å; K945-D1035 PolarHBondContact NZ-OD1 2.95Å; K945-D1035 IonicContact NZ-OD2 2.71Å; K945-D1035 PolarHBondContact NZ-OD2 2.82Å
946	R	60.4	Low	59.4	Low	149 Å²	149	102.7 Å²	102.7	56%	0.562	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.1	179.2	-61.6	179.7	-174.6	-174.2	2.3	108.7	N944 L1034	N944-R946 PolarHBondContact O-N 3.25Å; R946-L1034 HydrophobicContact CB-CB 4.17Å; R946-L1034 HydrophobicContact CB-CD1 4.46Å; R946-L1034 PolarHBondContact O-N 3.47Å
947	K	79.5	Confident	61.5	Low	115 Å²	115	101 Å²	101	50%	0.5	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.1	-179	-163.4	-177	-175.3	-176.1	0	110.1	V949 T1032 V1033	K947-V949 HydrophobicContact CD-CG2 3.7Å; K947-V949 HydrophobicContact CG-CG2 3.74Å; K947-T1032 WeakPolarHBondContact CA-O 3.14Å; K947-V1033 HydrophobicContact CG-CG2 4.3Å
948	V	87.1	Confident	62.7	Low	1 Å²	1	95.9 Å²	95.9	1%	0.006	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.6	168.9	179.8	0	0	0	0	107.4	L968 I1006 V1007 T1032	V948-L968 HydrophobicContact CG1-CD1 3.89Å; V948-I1006 HydrophobicContact CB-CG2 4.09Å; V948-I1006 HydrophobicContact CG1-CG2 4.1Å; V948-I1006 HydrophobicContact CG2-CD1 4.35Å; V948-V1007 HydrophobicContact CG1-CG2 4.25Å; V948-T1032 PolarHBondContact N-O 2.85Å; V948-T1032 PolarHBondContact O-N 3.07Å
949	V	91.5	Very high	64.2	Low	14 Å²	14	94.7 Å²	94.7	9%	0.085	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	132.5	-172.8	-175.7	0	0	0	0	110	K947 L968 D969 K1029 L1030 A1031	K947-V949 HydrophobicContact CD-CG2 3.7Å; K947-V949 HydrophobicContact CG-CG2 3.74Å; V949-L968 CarbonylContact O-C 3.52Å; V949-L968 WeakPolarHBondContact O-CA 3.3Å; V949-D969 HydrophobicContact CB-CB 4.35Å; V949-D969 PolarHBondContact N-O 2.92Å; V949-D969 PolarHBondContact O-N 2.93Å; V949-K1029 HydrophobicContact CG1-CD 4.2Å; V949-K1029 VanDerWaalsContact CG1-CE 3.42Å; V949-K1029 HydrophobicContact CG1-CG 3.74Å; V949-L1030 CarbonylContact C-O 3.6Å; V949-L1030 VanDerWaalsContact CA-O 3.31Å; V949-L1030 WeakPolarHBondContact CA-O 3.39Å; V949-L1030 WeakPolarHBondContact CG1-O 3.37Å; V949-A1031 HydrophobicContact CG2-CB 4.38Å
950	M	93.1	Very high	65.9	Low	1 Å²	1	95.3 Å²	95.3	1%	0.005	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.9	171.2	-173.2	159.7	52.5	0	0	110.8	C966 R967 L968 F977 Q1010 L1011 V1014 K1029 L1030	M950-C966 HydrophobicContact CG-CB 4.16Å; M950-C966 HydrophobicContact SD-CB 4.06Å; M950-R967 CarbonylContact C-O 3.57Å; M950-R967 VanDerWaalsContact CA-O 3.3Å; M950-R967 WeakPolarHBondContact CA-O 3.13Å; M950-L968 HydrophobicContact CB-CD1 4.39Å; M950-F977 HydrophobicContact SD-CE1 4.24Å; M950-F977 HydrophobicContact SD-CZ 3.76Å; M950-Q1010 HydrophobicContact CE-CB 3.52Å; M950-L1011 HydrophobicContact CE-CD2 3.95Å; M950-L1011 HydrophobicContact CE-CG 3.89Å; M950-L1011 HydrophobicContact SD-CD2 4.14Å; M950-L1011 HydrophobicContact SD-CG 4.48Å; M950-V1014 HydrophobicContact CE-CG2 3.83Å; M950-K1029 CarbonylContact O-C 3.58Å; M950-K1029 WeakPolarHBondContact O-CA 3.36Å; M950-L1030 PolarHBondContact N-O 3.37Å; M950-L1030 PolarHBondContact O-N 3.45Å
951	E	93.3	Very high	67.6	Low	35 Å²	35	94.4 Å²	94.4	16%	0.164	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	124.8	-172.3	-173.6	177.3	108.6	0	0	109.7	L953 C966 R967 T1028 K1029	E951-L953 PolarHBondContact O-N 3.27Å; E951-C966 CarbonylContact O-C 3.57Å; E951-C966 WeakPolarHBondContact O-CA 3.28Å; E951-R967 PolarHBondContact N-O 3.04Å; E951-R967 PolarHBondContact O-N 3.35Å; E951-R967 IonicContact OE1-CZ 2.7Å; E951-R967 VanDerWaalsContact OE1-CZ 3.29Å; E951-R967 IonicContact OE1-NH1 2.81Å; E951-R967 PolarHBondContact OE1-NH1 3.23Å; E951-R967 IonicContact OE1-NH2 3.32Å; E951-R967 PolarHBondContact OE1-NH2 3.1Å; E951-R967 VanDerWaalsContact OE1-NH2 3.1Å; E951-R967 IonicContact OE2-CZ 2.71Å; E951-R967 IonicContact OE2-NH1 2.64Å; E951-R967 IonicContact OE2-NH2 3.49Å; E951-R967 PolarHBondContact OE2-NH2 3.03Å; E951-T1028 WeakPolarHBondContact CA-O 3.31Å; E951-K1029 HydrophobicContact CB-CG 4.41Å; E951-K1029 WeakPolarHBondContact OE2-CD 3.32Å; E951-K1029 WeakPolarHBondContact OE2-CE 3.24Å; E951-K1029 IonicContact OE2-NZ 2.62Å; E951-K1029 PolarHBondContact OE2-NZ 2.85Å
952	I	92.7	Very high	69.7	Low	4 Å²	4	84.9 Å²	84.9	2%	0.021	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	118.4	179.4	-56.6	173.3	0	0	0	108.5	V1014 L1017 I1018 G1025 G1027 T1028	I952-V1014 HydrophobicContact CD1-CB 4.39Å; I952-V1014 HydrophobicContact CD1-CG1 3.87Å; I952-V1014 HydrophobicContact CD1-CG2 4.06Å; I952-V1014 HydrophobicContact CG1-CG1 4.06Å; I952-V1014 HydrophobicContact CG1-CG2 4.06Å; I952-L1017 HydrophobicContact CD1-CD2 3.89Å; I952-I1018 HydrophobicContact CD1-CD1 4.3Å; I952-I1018 HydrophobicContact CG2-CD1 4.34Å; I952-G1025 WeakPolarHBondContact CD1-O 3.49Å; I952-G1027 WeakPolarHBondContact O-CA 3.48Å; I952-G1027 PolarHBondContact O-N 2.87Å; I952-T1028 PolarHBondContact N-O 3.02Å
953	L	90.3	Very high	72.3	Confident	77 Å²	77	76.6 Å²	76.6	40%	0.403	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-29.3	-176.8	-59	179	0	0	0	113.3	E951 S965 R967 T976	E951-L953 PolarHBondContact O-N 3.27Å; L953-S965 PolarHBondContact N-O 2.87Å; L953-R967 HydrophobicContact CD1-CB 4.16Å; L953-R967 HydrophobicContact CD2-CB 4.11Å; L953-R967 HydrophobicContact CG-CB 4.26Å; L953-T976 HydrophobicContact CD1-CG2 3.97Å
954	G	87	Confident	75.2	Confident	19 Å²	19	71.9 Å²	71.9	20%	0.196	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.3	164.9	-176.8	0	0	0	0	0	113.3	S965	G954-S965 PolarHBondContact O-N 3.46Å
955	C	84	Confident	77.8	Confident	38 Å²	38	65.4 Å²	65.4	26%	0.257	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.6	173.6	-167.8	0	0	0	0	108.7	L963	C955-L963 CarbonylContact C-O 3.58Å; C955-L963 WeakPolarHBondContact CA-O 3.46Å
956	D	77.9	Confident	80.2	Confident	44 Å²	44	59.6 Å²	59.6	24%	0.235	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	106.7	177	177.8	15.2	0	0	0	109.6	S958 R959 A962 L963	D956-S958 WeakPolarHBondContact OD1-CB 3.23Å; D956-S958 PolarHBondContact OD1-N 2.94Å; D956-S958 PolarHBondContact OD1-OG 2.96Å; D956-S958 PolarHBondContact OD2-OG 2.76Å; D956-R959 IonicContact OD2-CZ 3.61Å; D956-R959 IonicContact OD2-NE 2.82Å; D956-R959 PolarHBondContact OD2-NE 3.16Å; D956-R959 IonicContact OD2-NH2 3.58Å; D956-R959 PolarHBondContact OD2-NH2 3.22Å; D956-A962 WeakPolarHBondContact O-CA 3.31Å; D956-L963 HydrophobicContact CB-CB 4.31Å; D956-L963 PolarHBondContact N-O 2.8Å; D956-L963 PolarHBondContact O-N 3.19Å
957	E	70.4	Confident	81.9	Confident	110 Å²	110	55.4 Å²	55.4	51%	0.514	29%	0.287	S	S	.	.			trans	-88	-0.4	176.3	-63.8	178	155.7	0	0	112.9	R959 K1023	E957-R959 PolarHBondContact O-N 2.69Å; E957-K1023 VanDerWaalsContact CD-CE 3.43Å; E957-K1023 WeakPolarHBondContact OE1-CE 3.19Å; E957-K1023 IonicContact OE1-NZ 2.93Å; E957-K1023 PolarHBondContact OE1-NZ 2.94Å; E957-K1023 WeakPolarHBondContact OE2-CE 2.95Å; E957-K1023 IonicContact OE2-NZ 3.19Å; E957-K1023 PolarHBondContact OE2-NZ 3.47Å
958	S	56.4	Low	82.6	Confident	100 Å²	100	49.9 Å²	49.9	70%	0.699	26%	0.263	S	S	*	.	S	Bend	trans	-78.8	0.8	-171.1	71.9	0	0	0	0	115.2	D956	D956-S958 WeakPolarHBondContact OD1-CB 3.23Å; D956-S958 PolarHBondContact OD1-N 2.94Å; D956-S958 PolarHBondContact OD1-OG 2.96Å; D956-S958 PolarHBondContact OD2-OG 2.76Å
959	R	60.6	Low	82.7	Confident	148 Å²	148	51.5 Å²	51.5	56%	0.558	27%	0.271	S	S	*	.	S	Bend	trans	-123.8	162.1	-175.7	-48.1	-174.3	-159.9	-150.6	-2.2	110.5	D956 E957 F961	D956-R959 IonicContact OD2-CZ 3.61Å; D956-R959 IonicContact OD2-NE 2.82Å; D956-R959 PolarHBondContact OD2-NE 3.16Å; D956-R959 IonicContact OD2-NH2 3.58Å; D956-R959 PolarHBondContact OD2-NH2 3.22Å; E957-R959 PolarHBondContact O-N 2.69Å; R959-F961 PolarHBondContact O-N 3.39Å
960	N	61.8	Low	82.5	Confident	160 Å²	160	51.8 Å²	51.8	86%	0.856	27%	0.273	S	S	*	.	S	Bend	trans	-57.4	-12.8	-179.2	-67.2	18.6	0	0	0	115
961	F	65	Low	81.8	Confident	138 Å²	138	55.2 Å²	55.2	61%	0.605	30%	0.297	S	S	*	.	S	Bend	trans	-133.8	133.9	169.3	-52.3	-81.2	0	0	0	108.1	R959 L963 A980	R959-F961 PolarHBondContact O-N 3.39Å; F961-L963 PolarHBondContact O-N 2.68Å; F961-A980 HydrophobicContact CB-CB 4.38Å
962	A	72.2	Confident	81	Confident	42 Å²	42	56.8 Å²	56.8	35%	0.347	30%	0.304	S	S	.	.			trans	-63.9	129.5	175.2	0	0	0	0	0	110.4	D956 P981	D956-A962 WeakPolarHBondContact O-CA 3.31Å; A962-P981 WeakPolarHBondContact O-CD 3.47Å
963	L	86.2	Confident	80.5	Confident	33 Å²	33	57.5 Å²	57.5	17%	0.173	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.7	178.9	-72.8	174.5	0	0	0	111.1	C955 D956 F961 A980	C955-L963 CarbonylContact C-O 3.58Å; C955-L963 WeakPolarHBondContact CA-O 3.46Å; D956-L963 HydrophobicContact CB-CB 4.31Å; D956-L963 PolarHBondContact N-O 2.8Å; D956-L963 PolarHBondContact O-N 3.19Å; F961-L963 PolarHBondContact O-N 2.68Å; L963-A980 HydrophobicContact CD2-CB 4.18Å
964	V	89.9	Confident	80.4	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.2	179.5	177.7	0	0	0	0	109.3	Q978 F979 P981 V1014 I1018	V964-Q978 VanDerWaalsContact O-CA 3.26Å; V964-Q978 WeakPolarHBondContact O-CA 3.45Å; V964-F979 HydrophobicContact CB-CD1 4.28Å; V964-F979 HydrophobicContact CB-CE1 3.94Å; V964-F979 HydrophobicContact CB-CZ 4.08Å; V964-F979 HydrophobicContact CG1-CD1 4.44Å; V964-F979 HydrophobicContact CG1-CE1 3.7Å; V964-F979 HydrophobicContact CG1-CZ 3.9Å; V964-F979 PolarHBondContact N-O 2.79Å; V964-F979 PolarHBondContact O-N 3.11Å; V964-P981 HydrophobicContact CG2-CG 3.84Å; V964-V1014 HydrophobicContact CG1-CG1 4.05Å; V964-I1018 HydrophobicContact CB-CD1 4.07Å; V964-I1018 HydrophobicContact CG1-CD1 3.37Å; V964-I1018 HydrophobicContact CG2-CD1 3.47Å; V964-I1018 VanDerWaalsContact CG2-CD1 3.47Å; V964-I1018 HydrophobicContact CG2-CG2 4.12Å
965	S	91.4	Very high	80.6	Confident	24 Å²	24	57.7 Å²	57.7	17%	0.168	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127.1	174.7	-61.1	0	0	0	0	110.6	L953 G954 Q978	L953-S965 PolarHBondContact N-O 2.87Å; G954-S965 PolarHBondContact O-N 3.46Å; S965-Q978 WeakPolarHBondContact OG-CG 3.17Å; S965-Q978 PolarHBondContact OG-NE2 3.43Å
966	C	94.1	Very high	81	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146	177.1	-75.3	0	0	0	0	111.9	M950 E951 T976 F977	M950-C966 HydrophobicContact CG-CB 4.16Å; M950-C966 HydrophobicContact SD-CB 4.06Å; E951-C966 CarbonylContact O-C 3.57Å; E951-C966 WeakPolarHBondContact O-CA 3.28Å; C966-T976 VanDerWaalsContact O-CA 3.31Å; C966-T976 WeakPolarHBondContact O-CA 3.21Å; C966-F977 HydrophobicContact CB-CE1 4.18Å; C966-F977 HydrophobicContact CB-CE2 4.24Å; C966-F977 HydrophobicContact CB-CZ 3.92Å; C966-F977 PolarHBondContact N-O 2.72Å; C966-F977 PolarHBondContact O-N 3.48Å
967	R	94.8	Very high	81.8	Confident	60 Å²	60	59.8 Å²	59.8	23%	0.226	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131.4	162	-167.2	176.8	76.1	-101.7	-15	109.8	M950 E951 L953 D969 V975 T976	M950-R967 CarbonylContact C-O 3.57Å; M950-R967 VanDerWaalsContact CA-O 3.3Å; M950-R967 WeakPolarHBondContact CA-O 3.13Å; E951-R967 PolarHBondContact N-O 3.04Å; E951-R967 PolarHBondContact O-N 3.35Å; E951-R967 IonicContact OE1-CZ 2.7Å; E951-R967 VanDerWaalsContact OE1-CZ 3.29Å; E951-R967 IonicContact OE1-NH1 2.81Å; E951-R967 PolarHBondContact OE1-NH1 3.23Å; E951-R967 IonicContact OE1-NH2 3.32Å; E951-R967 PolarHBondContact OE1-NH2 3.1Å; E951-R967 VanDerWaalsContact OE1-NH2 3.1Å; E951-R967 IonicContact OE2-CZ 2.71Å; E951-R967 IonicContact OE2-NH1 2.64Å; E951-R967 IonicContact OE2-NH2 3.49Å; E951-R967 PolarHBondContact OE2-NH2 3.03Å; L953-R967 HydrophobicContact CD1-CB 4.16Å; L953-R967 HydrophobicContact CD2-CB 4.11Å; L953-R967 HydrophobicContact CG-CB 4.26Å; R967-D969 IonicContact CZ-OD2 3.54Å; R967-D969 IonicContact NE-OD1 3.86Å; R967-D969 PolarHBondContact NE-OD1 3.04Å; R967-D969 IonicContact NE-OD2 3.68Å; R967-D969 PolarHBondContact NE-OD2 2.76Å; R967-D969 IonicContact NH2-OD2 3.54Å; R967-D969 PolarHBondContact NH2-OD2 3.15Å; R967-V975 CarbonylContact C-O 3.56Å; R967-V975 WeakPolarHBondContact CA-O 3.46Å; R967-T976 HydrophobicContact CB-CG2 3.98Å; R967-T976 HydrophobicContact CG-CG2 3.8Å
968	L	93.9	Very high	82.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	114.7	176	167.9	63.7	0	0	0	108.9	V948 V949 M950 T970 S974 V975 F977 L993 L999 V1007	V948-L968 HydrophobicContact CG1-CD1 3.89Å; V949-L968 CarbonylContact O-C 3.52Å; V949-L968 WeakPolarHBondContact O-CA 3.3Å; M950-L968 HydrophobicContact CB-CD1 4.39Å; L968-T970 HydrophobicContact CD1-CG2 4.31Å; L968-T970 HydrophobicContact CG-CG2 4.2Å; L968-S974 WeakPolarHBondContact O-CA 3.32Å; L968-V975 HydrophobicContact CB-CG1 3.88Å; L968-V975 HydrophobicContact CD2-CG1 4.06Å; L968-V975 HydrophobicContact CG-CG1 4.19Å; L968-V975 PolarHBondContact N-O 3.31Å; L968-V975 PolarHBondContact O-N 2.94Å; L968-F977 HydrophobicContact CB-CE1 3.9Å; L968-F977 HydrophobicContact CD2-CE1 4.26Å; L968-L993 HydrophobicContact CD2-CD1 3.89Å; L968-L999 HydrophobicContact CD2-CD2 4.2Å; L968-V1007 HydrophobicContact CD1-CG2 3.89Å; L968-V1007 HydrophobicContact CD2-CG1 4.09Å; L968-V1007 HydrophobicContact CD2-CG2 3.97Å
969	D	90.6	Very high	84.6	Confident	35 Å²	35	55.7 Å²	55.7	19%	0.187	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.5	-179.6	-63.7	-46.7	0	0	0	109.2	V949 R967 S974	V949-D969 HydrophobicContact CB-CB 4.35Å; V949-D969 PolarHBondContact N-O 2.92Å; V949-D969 PolarHBondContact O-N 2.93Å; R967-D969 IonicContact CZ-OD2 3.54Å; R967-D969 IonicContact NE-OD1 3.86Å; R967-D969 PolarHBondContact NE-OD1 3.04Å; R967-D969 IonicContact NE-OD2 3.68Å; R967-D969 PolarHBondContact NE-OD2 2.76Å; R967-D969 IonicContact NH2-OD2 3.54Å; R967-D969 PolarHBondContact NH2-OD2 3.15Å; D969-S974 VanDerWaalsContact OD1-CB 3.26Å; D969-S974 WeakPolarHBondContact OD1-CB 3.43Å; D969-S974 PolarHBondContact OD1-OG 2.84Å
970	T	87.1	Confident	85.9	Confident	20 Å²	20	49 Å²	49	12%	0.123	27%	0.268	C	S	.	.			trans	-114.6	179	178	75.9	0	0	0	0	111.7	L968 H972 K973 L999	L968-T970 HydrophobicContact CD1-CG2 4.31Å; L968-T970 HydrophobicContact CG-CG2 4.2Å; T970-H972 PolarHBondContact O-N 3.41Å; T970-H972 VanDerWaalsContact O-N 3.1Å; T970-H972 PolarHBondContact OG1-CE1 3.48Å; T970-H972 PolarHBondContact OG1-N 3.38Å; T970-K973 WeakPolarHBondContact CB-O 3.44Å; T970-K973 PolarHBondContact N-O 2.94Å; T970-K973 PolarHBondContact OG1-N 3.11Å; T970-K973 PolarHBondContact OG1-O 3.2Å; T970-L999 HydrophobicContact CG2-CD2 3.97Å
971	S	77.2	Confident	87	Confident	73 Å²	73	42.3 Å²	42.3	51%	0.51	23%	0.233	S	C	.	.	S	Bend	trans	-63.1	-10.1	176	57.7	0	0	0	0	116
972	H	77	Confident	87.7	Confident	68 Å²	68	39.5 Å²	39.5	32%	0.315	24%	0.243	S	C	.	.	S	Bend	trans	-148.5	-14.6	-168.9	56.6	-82.5	0	0	0	115.3	T970 H1003 R1592	T970-H972 PolarHBondContact O-N 3.41Å; T970-H972 VanDerWaalsContact O-N 3.1Å; T970-H972 PolarHBondContact OG1-CE1 3.48Å; T970-H972 PolarHBondContact OG1-N 3.38Å; H972-H1003 AromaticContact CE1-CE1 3.77Å; H972-H1003 AromaticContact CE1-ND1 3.89Å; H972-R1592 PolarHBondContact CD2-NH2 3.37Å; H972-R1592 PolarHBondContact NE2-NH2 3.35Å
973	K	82.6	Confident	88.2	Confident	18 Å²	18	41.8 Å²	41.8	8%	0.078	25%	0.253	C	S	.	.			trans	-148.4	142.2	174.5	-151.2	-174.1	-166.2	172.5	0	109.5	T970 E996 D997 C998 T1589 I1591	T970-K973 WeakPolarHBondContact CB-O 3.44Å; T970-K973 PolarHBondContact N-O 2.94Å; T970-K973 PolarHBondContact OG1-N 3.11Å; T970-K973 PolarHBondContact OG1-O 3.2Å; K973-E996 PolarHBondContact NZ-O 3.03Å; K973-D997 WeakPolarHBondContact CD-O 3.27Å; K973-C998 HydrophobicContact CD-CB 4.11Å; K973-C998 PolarHBondContact NZ-SG 2.91Å; K973-T1589 PolarHBondContact NZ-OG1 3.08Å; K973-I1591 HydrophobicContact CD-CD1 3.83Å; K973-I1591 HydrophobicContact CG-CD1 4.03Å
974	S	88.5	Confident	88.3	Confident	77 Å²	77	42.1 Å²	42.1	54%	0.538	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.9	160.8	-71.4	0	0	0	0	107.9	L968 D969	L968-S974 WeakPolarHBondContact O-CA 3.32Å; D969-S974 VanDerWaalsContact OD1-CB 3.26Å; D969-S974 WeakPolarHBondContact OD1-CB 3.43Å; D969-S974 PolarHBondContact OD1-OG 2.84Å
975	V	91.2	Very high	88.4	Confident	23 Å²	23	49 Å²	49	14%	0.139	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.1	-179.8	61.4	0	0	0	0	110.1	R967 L968 F977 L993 C998	R967-V975 CarbonylContact C-O 3.56Å; R967-V975 WeakPolarHBondContact CA-O 3.46Å; L968-V975 HydrophobicContact CB-CG1 3.88Å; L968-V975 HydrophobicContact CD2-CG1 4.06Å; L968-V975 HydrophobicContact CG-CG1 4.19Å; L968-V975 PolarHBondContact N-O 3.31Å; L968-V975 PolarHBondContact O-N 2.94Å; V975-F977 HydrophobicContact CG1-CD1 4.39Å; V975-L993 HydrophobicContact CG1-CD2 4.15Å; V975-L993 HydrophobicContact CG2-CD2 4.22Å; V975-C998 HydrophobicContact CB-CB 4.44Å; V975-C998 HydrophobicContact CG1-CB 4.18Å
976	T	92.8	Very high	88.4	Confident	97 Å²	97	49.4 Å²	49.4	60%	0.595	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.4	169.7	48.2	0	0	0	0	108.9	L953 C966 R967	L953-T976 HydrophobicContact CD1-CG2 3.97Å; C966-T976 VanDerWaalsContact O-CA 3.31Å; C966-T976 WeakPolarHBondContact O-CA 3.21Å; R967-T976 HydrophobicContact CB-CG2 3.98Å; R967-T976 HydrophobicContact CG-CG2 3.8Å
977	F	93.3	Very high	88.2	Confident	30 Å²	30	52.1 Å²	52.1	13%	0.132	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	158.9	-179.4	63.9	-87.4	0	0	0	111.2	M950 C966 L968 V975 F979 I989 L993 L1011	M950-F977 HydrophobicContact SD-CE1 4.24Å; M950-F977 HydrophobicContact SD-CZ 3.76Å; C966-F977 HydrophobicContact CB-CE1 4.18Å; C966-F977 HydrophobicContact CB-CE2 4.24Å; C966-F977 HydrophobicContact CB-CZ 3.92Å; C966-F977 PolarHBondContact N-O 2.72Å; C966-F977 PolarHBondContact O-N 3.48Å; L968-F977 HydrophobicContact CB-CE1 3.9Å; L968-F977 HydrophobicContact CD2-CE1 4.26Å; V975-F977 HydrophobicContact CG1-CD1 4.39Å; F977-F979 HydrophobicContact CD2-CD1 4.05Å; F977-F979 AromaticContact CE2-CD1 3.69Å; F977-F979 HydrophobicContact CE2-CD1 3.69Å; F977-F979 HydrophobicContact CE2-CE1 4.06Å; F977-I989 HydrophobicContact CD2-CG2 4.1Å; F977-I989 HydrophobicContact CE2-CG2 3.7Å; F977-I989 HydrophobicContact CZ-CG2 4.28Å; F977-L993 HydrophobicContact CD1-CD1 4.16Å; F977-L993 HydrophobicContact CD1-CD2 4.31Å; F977-L993 HydrophobicContact CE1-CD1 3.89Å; F977-L993 HydrophobicContact CZ-CD1 4.16Å; F977-L1011 HydrophobicContact CE2-CD2 4.02Å; F977-L1011 HydrophobicContact CZ-CD2 4.02Å
978	Q	92.4	Very high	88	Confident	120 Å²	120	52.2 Å²	52.2	56%	0.561	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.2	173.3	-66.1	-173.1	-16.5	0	0	110.1	V964 S965	V964-Q978 VanDerWaalsContact O-CA 3.26Å; V964-Q978 WeakPolarHBondContact O-CA 3.45Å; S965-Q978 WeakPolarHBondContact OG-CG 3.17Å; S965-Q978 PolarHBondContact OG-NE2 3.43Å
979	F	93	Very high	87.9	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.018	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	156.2	173.7	70.6	-81	0	0	0	110.6	V964 F977 P981 D984 I989 L1011 V1014 I1015	V964-F979 HydrophobicContact CB-CD1 4.28Å; V964-F979 HydrophobicContact CB-CE1 3.94Å; V964-F979 HydrophobicContact CB-CZ 4.08Å; V964-F979 HydrophobicContact CG1-CD1 4.44Å; V964-F979 HydrophobicContact CG1-CE1 3.7Å; V964-F979 HydrophobicContact CG1-CZ 3.9Å; V964-F979 PolarHBondContact N-O 2.79Å; V964-F979 PolarHBondContact O-N 3.11Å; F977-F979 HydrophobicContact CD2-CD1 4.05Å; F977-F979 AromaticContact CE2-CD1 3.69Å; F977-F979 HydrophobicContact CE2-CD1 3.69Å; F977-F979 HydrophobicContact CE2-CE1 4.06Å; F979-P981 HydrophobicContact CE2-CB 4.14Å; F979-D984 HydrophobicContact CB-CB 4.01Å; F979-D984 HydrophobicContact CD2-CB 4.41Å; F979-I989 HydrophobicContact CB-CD1 3.77Å; F979-I989 HydrophobicContact CB-CG1 4.35Å; F979-I989 HydrophobicContact CD1-CD1 4.29Å; F979-I989 HydrophobicContact CD2-CD1 3.59Å; F979-I989 HydrophobicContact CE2-CD1 4.2Å; F979-I989 HydrophobicContact CG-CD1 3.63Å; F979-L1011 HydrophobicContact CD1-CD2 4.49Å; F979-L1011 HydrophobicContact CE1-CD2 3.89Å; F979-L1011 HydrophobicContact CZ-CD2 3.92Å; F979-V1014 HydrophobicContact CE1-CG1 4.37Å; F979-V1014 HydrophobicContact CZ-CG1 3.82Å; F979-I1015 HydrophobicContact CE2-CD1 4.19Å; F979-I1015 HydrophobicContact CE2-CG1 3.79Å; F979-I1015 HydrophobicContact CZ-CG1 4.36Å
980	A	89.3	Confident	88	Confident	7 Å²	7	51 Å²	51	6%	0.058	31%	0.306	C	S	.	.			trans	-100.7	114	173.8	0	0	0	0	0	109.2	F961 L963 G982 T983 D984	F961-A980 HydrophobicContact CB-CB 4.38Å; L963-A980 HydrophobicContact CD2-CB 4.18Å; A980-G982 PolarHBondContact O-N 2.87Å; A980-T983 WeakPolarHBondContact CB-OG1 3.42Å; A980-T983 PolarHBondContact O-N 2.89Å; A980-T983 PolarHBondContact O-OG1 2.82Å; A980-D984 PolarHBondContact N-OD2 2.96Å; A980-D984 PolarHBondContact O-N 3.1Å
981	P	85.2	Confident	88	Confident	20 Å²	20	53.9 Å²	53.9	13%	0.13	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-11.6	-172.9	26.6	-35.7	0	0	0	114.1	A962 V964 F979 I1015	A962-P981 WeakPolarHBondContact O-CD 3.47Å; V964-P981 HydrophobicContact CG2-CG 3.84Å; F979-P981 HydrophobicContact CE2-CB 4.14Å; P981-I1015 HydrophobicContact CB-CG1 4.01Å; P981-I1015 HydrophobicContact CB-CG2 4.36Å
982	G	79	Confident	88.6	Confident	78 Å²	78	55.1 Å²	55.1	80%	0.804	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-11.8	171.7	0	0	0	0	0	115.3	A980	A980-G982 PolarHBondContact O-N 2.87Å
983	T	83.6	Confident	89.3	Confident	90 Å²	90	52.1 Å²	52.1	55%	0.552	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.1	-36.8	-175.6	55	0	0	0	0	114.1	A980	A980-T983 WeakPolarHBondContact CB-OG1 3.42Å; A980-T983 PolarHBondContact O-N 2.89Å; A980-T983 PolarHBondContact O-OG1 2.82Å
984	D	88.3	Confident	89.7	Confident	41 Å²	41	53.9 Å²	53.9	22%	0.219	32%	0.316	C	S	.	.			trans	-89.9	122.5	-178.3	-68.6	-69.5	0	0	0	111.6	F979 A980 I989	F979-D984 HydrophobicContact CB-CB 4.01Å; F979-D984 HydrophobicContact CD2-CB 4.41Å; A980-D984 PolarHBondContact N-OD2 2.96Å; A980-D984 PolarHBondContact O-N 3.1Å; D984-I989 HydrophobicContact CB-CD1 3.87Å; D984-I989 HydrophobicContact CB-CG1 3.98Å
985	K	90.2	Very high	89.7	Confident	143 Å²	143	54.3 Å²	54.3	62%	0.622	33%	0.325	S	S	*	.			trans	-83.6	142.6	177.1	-63.6	178.6	-179.4	177	0	111.1	C987 T988 I989	K985-C987 VanDerWaalsContact C-N 3.3Å; K985-C987 PolarHBondContact O-N 2.68Å; K985-T988 WeakPolarHBondContact O-CB 3.43Å; K985-T988 PolarHBondContact O-N 2.63Å; K985-I989 PolarHBondContact O-N 3.06Å
986	P	91.4	Very high	89.5	Confident	34 Å²	34	58.6 Å²	58.6	22%	0.221	34%	0.343	C	S	.	.	H	α-helix	trans	-48.1	-45.7	176.6	-33.8	38.1	0	0	0	114.9	T988 I989 A990 L1011 I1015	P986-T988 PolarHBondContact O-N 3.29Å; P986-I989 PolarHBondContact O-N 2.82Å; P986-A990 WeakPolarHBondContact O-CB 3.02Å; P986-A990 PolarHBondContact O-N 2.84Å; P986-L1011 HydrophobicContact CB-CB 3.82Å; P986-L1011 HydrophobicContact CB-CD1 4.42Å; P986-L1011 HydrophobicContact CG-CB 4.14Å; P986-I1015 HydrophobicContact CG-CD1 3.7Å
987	C	90.9	Very high	89.2	Confident	57 Å²	57	55.8 Å²	55.8	39%	0.385	33%	0.325	S	S	.	.	H	α-helix	trans	-64.7	-36.3	178	56.7	0	0	0	0	113.2	K985 T991 E1008	K985-C987 VanDerWaalsContact C-N 3.3Å; K985-C987 PolarHBondContact O-N 2.68Å; C987-T991 VanDerWaalsContact O-CB 3.22Å; C987-T991 WeakPolarHBondContact O-CB 3.35Å; C987-T991 PolarHBondContact O-N 2.94Å; C987-T991 PolarHBondContact O-OG1 3.21Å; C987-E1008 VanDerWaalsContact CA-OE1 3.24Å; C987-E1008 WeakPolarHBondContact CA-OE1 3.43Å; C987-E1008 WeakPolarHBondContact CB-OE1 3.43Å
988	T	90.5	Very high	88.8	Confident	61 Å²	61	54.5 Å²	54.5	37%	0.374	32%	0.319	S	S	.	.	H	α-helix	trans	-67.6	-41.7	175.8	-53.5	0	0	0	0	111.2	K985 P986 T991 K992	K985-T988 WeakPolarHBondContact O-CB 3.43Å; K985-T988 PolarHBondContact O-N 2.63Å; P986-T988 PolarHBondContact O-N 3.29Å; T988-T991 PolarHBondContact O-N 2.61Å; T988-K992 WeakPolarHBondContact O-CG 3.39Å; T988-K992 PolarHBondContact O-N 2.87Å
989	I	91.5	Very high	88.5	Confident	9 Å²	9	48.8 Å²	48.8	5%	0.046	29%	0.293	C	S	.	.	H	α-helix	trans	-65.4	-49.7	176	-58.5	162.7	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 3.7Å; F977-I989 HydrophobicContact CZ-CG2 4.28Å; F979-I989 HydrophobicContact CB-CD1 3.77Å; F979-I989 HydrophobicContact CB-CG1 4.35Å; F979-I989 HydrophobicContact CD1-CD1 4.29Å; F979-I989 HydrophobicContact CD2-CD1 3.59Å; F979-I989 HydrophobicContact CE2-CD1 4.2Å; F979-I989 HydrophobicContact CG-CD1 3.63Å; D984-I989 HydrophobicContact CB-CD1 3.87Å; D984-I989 HydrophobicContact CB-CG1 3.98Å; K985-I989 PolarHBondContact O-N 3.06Å; P986-I989 PolarHBondContact O-N 2.82Å; I989-T991 VanDerWaalsContact C-N 3.28Å; I989-T991 PolarHBondContact O-N 3.47Å; I989-K992 PolarHBondContact O-N 2.73Å; I989-L993 HydrophobicContact CG2-CD1 3.92Å; I989-L993 HydrophobicContact CG2-CG 4.44Å; I989-L993 WeakPolarHBondContact O-CB 3.3Å; I989-L993 WeakPolarHBondContact O-CG 3.41Å; I989-L993 PolarHBondContact O-N 3.09Å; I989-L1011 HydrophobicContact CB-CD1 3.71Å; I989-L1011 HydrophobicContact CD1-CD1 4.11Å; I989-L1011 HydrophobicContact CD1-CD2 4.19Å; I989-L1011 HydrophobicContact CG2-CD1 3.66Å; I989-L1011 HydrophobicContact CG2-CD2 4.48Å
990	A	92.1	Very high	88.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.2	-33.8	178.8	0	0	0	0	0	112.7	P986 L994 V1004 V1007 E1008	P986-A990 WeakPolarHBondContact O-CB 3.02Å; P986-A990 PolarHBondContact O-N 2.84Å; A990-L994 WeakPolarHBondContact O-CB 3.47Å; A990-L994 PolarHBondContact O-N 2.93Å; A990-V1004 HydrophobicContact CB-CG1 4.19Å; A990-V1007 HydrophobicContact CB-CG1 4.4Å; A990-E1008 HydrophobicContact CB-CG 3.59Å
991	T	89	Confident	88	Confident	82 Å²	82	59.6 Å²	59.6	50%	0.503	34%	0.34	S	S	.	.	H	α-helix	trans	-71.1	-42.3	174.7	-58	0	0	0	0	112.1	C987 T988 I989 L994 A995	C987-T991 VanDerWaalsContact O-CB 3.22Å; C987-T991 WeakPolarHBondContact O-CB 3.35Å; C987-T991 PolarHBondContact O-N 2.94Å; C987-T991 PolarHBondContact O-OG1 3.21Å; T988-T991 PolarHBondContact O-N 2.61Å; I989-T991 VanDerWaalsContact C-N 3.28Å; I989-T991 PolarHBondContact O-N 3.47Å; T991-L994 WeakPolarHBondContact O-CB 3.34Å; T991-L994 PolarHBondContact O-N 3.44Å; T991-A995 PolarHBondContact O-N 2.76Å
992	K	89.4	Confident	88	Confident	98 Å²	98	62.7 Å²	62.7	43%	0.426	36%	0.359	S	S	.	.	H	α-helix	trans	-58.9	-48.2	171.9	-74.8	174.3	178.8	176.6	0	111.1	T988 I989 L994 A995 E996	T988-K992 WeakPolarHBondContact O-CG 3.39Å; T988-K992 PolarHBondContact O-N 2.87Å; I989-K992 PolarHBondContact O-N 2.73Å; K992-L994 PolarHBondContact O-N 3.35Å; K992-A995 PolarHBondContact O-N 3.27Å; K992-E996 WeakPolarHBondContact O-CG 3.4Å; K992-E996 PolarHBondContact O-N 3.27Å
993	L	91.9	Very high	88.4	Confident	5 Å²	5	59 Å²	59	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-64.3	-25.6	176.6	-68	172.7	0	0	0	113.1	L968 V975 F977 I989 C998 L999 V1007	L968-L993 HydrophobicContact CD2-CD1 3.89Å; V975-L993 HydrophobicContact CG1-CD2 4.15Å; V975-L993 HydrophobicContact CG2-CD2 4.22Å; F977-L993 HydrophobicContact CD1-CD1 4.16Å; F977-L993 HydrophobicContact CD1-CD2 4.31Å; F977-L993 HydrophobicContact CE1-CD1 3.89Å; F977-L993 HydrophobicContact CZ-CD1 4.16Å; I989-L993 HydrophobicContact CG2-CD1 3.92Å; I989-L993 HydrophobicContact CG2-CG 4.44Å; I989-L993 WeakPolarHBondContact O-CB 3.3Å; I989-L993 WeakPolarHBondContact O-CG 3.41Å; I989-L993 PolarHBondContact O-N 3.09Å; L993-C998 HydrophobicContact CB-CB 4.12Å; L993-C998 HydrophobicContact CD2-CB 3.86Å; L993-C998 CarbonylContact O-C 3.41Å; L993-C998 VanDerWaalsContact O-CA 3.23Å; L993-C998 WeakPolarHBondContact O-CA 3.19Å; L993-C998 WeakPolarHBondContact O-CB 3.47Å; L993-C998 PolarHBondContact O-N 2.93Å; L993-L999 HydrophobicContact CB-CD1 3.66Å; L993-L999 HydrophobicContact CB-CG 4.18Å; L993-L999 HydrophobicContact CD1-CD1 4.44Å; L993-L999 PolarHBondContact O-N 3.46Å; L993-V1007 HydrophobicContact CD1-CG1 4.42Å
994	L	91.2	Very high	88.6	Confident	55 Å²	55	55.7 Å²	55.7	29%	0.288	30%	0.3	S	S	.	.	H	α-helix	trans	-73.6	-40	169.8	-175.5	67.7	0	0	0	111.9	A990 T991 K992 D997 L999 K1001 V1004	A990-L994 WeakPolarHBondContact O-CB 3.47Å; A990-L994 PolarHBondContact O-N 2.93Å; T991-L994 WeakPolarHBondContact O-CB 3.34Å; T991-L994 PolarHBondContact O-N 3.44Å; K992-L994 PolarHBondContact O-N 3.35Å; L994-D997 PolarHBondContact O-N 3.44Å; L994-L999 HydrophobicContact CD1-CB 4.36Å; L994-K1001 HydrophobicContact CD1-CG 4.12Å; L994-K1001 HydrophobicContact CD2-CG 4.39Å; L994-V1004 HydrophobicContact CD1-CG2 4.19Å; L994-V1004 HydrophobicContact CD2-CG2 4.01Å; L994-V1004 HydrophobicContact CG-CG2 4.48Å
995	A	87.7	Confident	88.5	Confident	87 Å²	87	60.7 Å²	60.7	72%	0.719	32%	0.322	S	S	*	.	H	α-helix	trans	-70	-34.5	179.5	0	0	0	0	0	113.3	T991 K992 D997	T991-A995 PolarHBondContact O-N 2.76Å; K992-A995 PolarHBondContact O-N 3.27Å; A995-D997 PolarHBondContact O-N 2.89Å
996	E	87.5	Confident	88.5	Confident	113 Å²	113	54.2 Å²	54.2	53%	0.528	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	14.8	176.8	-67	169.5	-170	0	0	113.7	K973 K992 C998	K973-E996 PolarHBondContact NZ-O 3.03Å; K992-E996 WeakPolarHBondContact O-CG 3.4Å; K992-E996 PolarHBondContact O-N 3.27Å; E996-C998 PolarHBondContact O-N 2.87Å
997	D	86.1	Confident	88.5	Confident	38 Å²	38	52.6 Å²	52.6	20%	0.203	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	27.3	-173.6	-100.6	-31.7	0	0	0	113.3	K973 L994 A995 I1591 R1592	K973-D997 WeakPolarHBondContact CD-O 3.27Å; L994-D997 PolarHBondContact O-N 3.44Å; A995-D997 PolarHBondContact O-N 2.89Å; D997-I1591 HydrophobicContact CB-CB 4.05Å; D997-I1591 HydrophobicContact CB-CG2 3.79Å; D997-R1592 WeakPolarHBondContact OD1-CD 3.38Å; D997-R1592 IonicContact OD1-CZ 2.65Å; D997-R1592 IonicContact OD1-NE 3.26Å; D997-R1592 IonicContact OD1-NH1 2.72Å; D997-R1592 PolarHBondContact OD1-NH1 3.26Å; D997-R1592 WeakPolarHBondContact OD2-CB 3.47Å; D997-R1592 PolarHBondContact OD2-N 3.47Å
998	C	83.9	Confident	88.6	Confident	3 Å²	3	52 Å²	52	2%	0.02	28%	0.275	C	S	.	.	S	Bend	trans	-85.1	-15.4	176.4	-63.2	0	0	0	0	113.6	K973 V975 L993 E996	K973-C998 HydrophobicContact CD-CB 4.11Å; K973-C998 PolarHBondContact NZ-SG 2.91Å; V975-C998 HydrophobicContact CB-CB 4.44Å; V975-C998 HydrophobicContact CG1-CB 4.18Å; L993-C998 HydrophobicContact CB-CB 4.12Å; L993-C998 HydrophobicContact CD2-CB 3.86Å; L993-C998 CarbonylContact O-C 3.41Å; L993-C998 VanDerWaalsContact O-CA 3.23Å; L993-C998 WeakPolarHBondContact O-CA 3.19Å; L993-C998 WeakPolarHBondContact O-CB 3.47Å; L993-C998 PolarHBondContact O-N 2.93Å; E996-C998 PolarHBondContact O-N 2.87Å
999	L	87.7	Confident	88.5	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-129.6	172.3	177.3	-75.4	167.4	0	0	0	112.7	L968 T970 L993 L994 H1003 V1007 R1592	L968-L999 HydrophobicContact CD2-CD2 4.2Å; T970-L999 HydrophobicContact CG2-CD2 3.97Å; L993-L999 HydrophobicContact CB-CD1 3.66Å; L993-L999 HydrophobicContact CB-CG 4.18Å; L993-L999 HydrophobicContact CD1-CD1 4.44Å; L993-L999 PolarHBondContact O-N 3.46Å; L994-L999 HydrophobicContact CD1-CB 4.36Å; L999-H1003 HydrophobicContact CD2-CB 3.57Å; L999-V1007 HydrophobicContact CD1-CB 4.16Å; L999-V1007 HydrophobicContact CD1-CG1 4.27Å; L999-V1007 HydrophobicContact CD1-CG2 3.98Å; L999-V1007 HydrophobicContact CD2-CG2 3.7Å; L999-R1592 PolarHBondContact O-NH1 2.88Å
1000	L	86.9	Confident	88.6	Confident	58 Å²	58	51 Å²	51	30%	0.304	27%	0.274	S	S	.	.			trans	-107.8	153.2	160.4	-75.3	166.1	0	0	0	107.8	V1002 H1003 R1592	L1000-V1002 HydrophobicContact CB-CG1 4.08Å; L1000-V1002 PolarHBondContact O-N 3.41Å; L1000-H1003 PolarHBondContact O-N 2.92Å; L1000-R1592 VanDerWaalsContact CD2-NH2 3.34Å
1001	K	84.3	Confident	88.6	Confident	179 Å²	179	51 Å²	51	78%	0.778	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-50.3	-37	177.4	-66.5	-176.9	177.8	-179.9	0	112.9	L994 H1003 V1004	L994-K1001 HydrophobicContact CD1-CG 4.12Å; L994-K1001 HydrophobicContact CD2-CG 4.39Å; K1001-H1003 VanDerWaalsContact C-N 3.27Å; K1001-H1003 PolarHBondContact O-N 3.29Å; K1001-V1004 WeakPolarHBondContact O-CG2 3.38Å; K1001-V1004 PolarHBondContact O-N 3.07Å
1002	V	84.3	Confident	88.7	Confident	85 Å²	85	48.5 Å²	48.5	52%	0.515	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-70.4	-12.3	178	71.6	0	0	0	0	114.9	L1000	L1000-V1002 HydrophobicContact CB-CG1 4.08Å; L1000-V1002 PolarHBondContact O-N 3.41Å
1003	H	87.6	Confident	88.7	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.009	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-97.5	-9.9	178	-60.8	167.6	0	0	0	113.6	H972 L999 L1000 K1001 I1006 V1007	H972-H1003 AromaticContact CE1-CE1 3.77Å; H972-H1003 AromaticContact CE1-ND1 3.89Å; L999-H1003 HydrophobicContact CD2-CB 3.57Å; L1000-H1003 PolarHBondContact O-N 2.92Å; K1001-H1003 VanDerWaalsContact C-N 3.27Å; K1001-H1003 PolarHBondContact O-N 3.29Å; H1003-I1006 WeakPolarHBondContact O-CB 3.13Å; H1003-I1006 PolarHBondContact O-N 2.98Å; H1003-V1007 PolarHBondContact O-N 2.97Å; H1003-V1007 VanDerWaalsContact O-N 3.1Å
1004	V	88.7	Confident	88.5	Confident	19 Å²	19	47 Å²	47	12%	0.115	26%	0.259	C	S	.	.	H	α-helix	trans	-57.1	-58.9	-170.5	175.9	0	0	0	0	111.4	A990 L994 K1001 I1006 V1007 E1008	A990-V1004 HydrophobicContact CB-CG1 4.19Å; L994-V1004 HydrophobicContact CD1-CG2 4.19Å; L994-V1004 HydrophobicContact CD2-CG2 4.01Å; L994-V1004 HydrophobicContact CG-CG2 4.48Å; K1001-V1004 WeakPolarHBondContact O-CG2 3.38Å; K1001-V1004 PolarHBondContact O-N 3.07Å; V1004-I1006 PolarHBondContact O-N 2.78Å; V1004-I1006 VanDerWaalsContact O-N 3.15Å; V1004-V1007 PolarHBondContact O-N 3.46Å; V1004-E1008 HydrophobicContact CG1-CG 4.28Å; V1004-E1008 WeakPolarHBondContact O-CG 3.4Å; V1004-E1008 PolarHBondContact O-N 3.48Å
1005	H	86.4	Confident	88.4	Confident	146 Å²	146	45.7 Å²	45.7	68%	0.676	25%	0.252	S	S	*	.	H	α-helix	trans	-61.5	-25.3	-179.3	-60.3	-39.3	0	0	0	114.2	E1008 A1009	H1005-E1008 WeakPolarHBondContact CA-OE2 3.42Å; H1005-E1008 IonicContact CE1-OE2 2.64Å; H1005-E1008 IonicContact CG-OE2 3.5Å; H1005-E1008 IonicContact ND1-OE2 2.72Å; H1005-E1008 PolarHBondContact ND1-OE2 2.98Å; H1005-A1009 WeakPolarHBondContact O-CB 3.26Å; H1005-A1009 PolarHBondContact O-N 3.19Å; H1005-A1009 VanDerWaalsContact O-N 3.1Å
1006	I	89.4	Confident	88.2	Confident	7 Å²	7	47.9 Å²	47.9	4%	0.036	25%	0.247	C	C	.	.	H	α-helix	trans	-70.1	-45.8	174.5	-59.4	171.2	0	0	0	109.9	V948 H1003 V1004 A1009 Q1010 T1032 L1034	V948-I1006 HydrophobicContact CB-CG2 4.09Å; V948-I1006 HydrophobicContact CG1-CG2 4.1Å; V948-I1006 HydrophobicContact CG2-CD1 4.35Å; H1003-I1006 WeakPolarHBondContact O-CB 3.13Å; H1003-I1006 PolarHBondContact O-N 2.98Å; V1004-I1006 PolarHBondContact O-N 2.78Å; V1004-I1006 VanDerWaalsContact O-N 3.15Å; I1006-A1009 PolarHBondContact O-N 3.24Å; I1006-Q1010 HydrophobicContact CG2-CG 4.46Å; I1006-Q1010 WeakPolarHBondContact O-CB 3.12Å; I1006-Q1010 VanDerWaalsContact O-CG 3.31Å; I1006-Q1010 WeakPolarHBondContact O-CG 3.39Å; I1006-Q1010 PolarHBondContact O-N 3.12Å; I1006-T1032 HydrophobicContact CD1-CG2 4.36Å; I1006-T1032 HydrophobicContact CG1-CG2 4.4Å; I1006-T1032 HydrophobicContact CG2-CG2 3.84Å; I1006-L1034 HydrophobicContact CD1-CD1 3.67Å; I1006-L1034 HydrophobicContact CD1-CD2 3.96Å; I1006-L1034 HydrophobicContact CD1-CG 3.76Å
1007	V	91.8	Very high	88.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-71.7	-35.7	179.2	176.5	0	0	0	0	111.2	V948 L968 A990 L993 L999 H1003 V1004 L1011	V948-V1007 HydrophobicContact CG1-CG2 4.25Å; L968-V1007 HydrophobicContact CD1-CG2 3.89Å; L968-V1007 HydrophobicContact CD2-CG1 4.09Å; L968-V1007 HydrophobicContact CD2-CG2 3.97Å; A990-V1007 HydrophobicContact CB-CG1 4.4Å; L993-V1007 HydrophobicContact CD1-CG1 4.42Å; L999-V1007 HydrophobicContact CD1-CB 4.16Å; L999-V1007 HydrophobicContact CD1-CG1 4.27Å; L999-V1007 HydrophobicContact CD1-CG2 3.98Å; L999-V1007 HydrophobicContact CD2-CG2 3.7Å; H1003-V1007 PolarHBondContact O-N 2.97Å; H1003-V1007 VanDerWaalsContact O-N 3.1Å; V1004-V1007 PolarHBondContact O-N 3.46Å; V1007-L1011 HydrophobicContact CG1-CD1 3.84Å; V1007-L1011 HydrophobicContact CG1-CG 4.22Å; V1007-L1011 VanDerWaalsContact O-CB 3.23Å; V1007-L1011 WeakPolarHBondContact O-CB 3.49Å; V1007-L1011 VanDerWaalsContact O-CG 3.23Å; V1007-L1011 WeakPolarHBondContact O-CG 3.26Å; V1007-L1011 PolarHBondContact O-N 2.8Å
1008	E	92	Very high	87.8	Confident	46 Å²	46	43.8 Å²	43.8	22%	0.215	23%	0.229	C	C	.	.	H	α-helix	trans	-58.4	-46.9	171.2	-69.7	179.4	128.9	0	0	111.9	C987 A990 V1004 H1005 L1011 G1012	C987-E1008 VanDerWaalsContact CA-OE1 3.24Å; C987-E1008 WeakPolarHBondContact CA-OE1 3.43Å; C987-E1008 WeakPolarHBondContact CB-OE1 3.43Å; A990-E1008 HydrophobicContact CB-CG 3.59Å; V1004-E1008 HydrophobicContact CG1-CG 4.28Å; V1004-E1008 WeakPolarHBondContact O-CG 3.4Å; V1004-E1008 PolarHBondContact O-N 3.48Å; H1005-E1008 WeakPolarHBondContact CA-OE2 3.42Å; H1005-E1008 IonicContact CE1-OE2 2.64Å; H1005-E1008 IonicContact CG-OE2 3.5Å; H1005-E1008 IonicContact ND1-OE2 2.72Å; H1005-E1008 PolarHBondContact ND1-OE2 2.98Å; E1008-L1011 PolarHBondContact O-N 2.82Å; E1008-G1012 PolarHBondContact O-N 3.37Å
1009	A	89.8	Confident	87.6	Confident	47 Å²	47	49 Å²	49	39%	0.388	26%	0.256	S	S	.	.	H	α-helix	trans	-69.6	-42.6	179.5	0	0	0	0	0	112.4	H1005 I1006 L1011 G1012 E1013 I1044	H1005-A1009 WeakPolarHBondContact O-CB 3.26Å; H1005-A1009 PolarHBondContact O-N 3.19Å; H1005-A1009 VanDerWaalsContact O-N 3.1Å; I1006-A1009 PolarHBondContact O-N 3.24Å; A1009-L1011 VanDerWaalsContact C-N 3.35Å; A1009-L1011 PolarHBondContact O-N 2.93Å; A1009-G1012 WeakPolarHBondContact O-CA 3.34Å; A1009-G1012 PolarHBondContact O-N 2.86Å; A1009-G1012 VanDerWaalsContact O-N 3.17Å; A1009-E1013 PolarHBondContact O-N 2.85Å; A1009-E1013 VanDerWaalsContact O-N 3.07Å; A1009-I1044 HydrophobicContact CB-CD1 3.8Å
1010	Q	92.1	Very high	86.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.8	-37.4	174.2	-71.3	-179.5	1	0	0	111.9	M950 I1006 G1012 E1013 V1014 L1030 T1032 I1044	M950-Q1010 HydrophobicContact CE-CB 3.52Å; I1006-Q1010 HydrophobicContact CG2-CG 4.46Å; I1006-Q1010 WeakPolarHBondContact O-CB 3.12Å; I1006-Q1010 VanDerWaalsContact O-CG 3.31Å; I1006-Q1010 WeakPolarHBondContact O-CG 3.39Å; I1006-Q1010 PolarHBondContact O-N 3.12Å; Q1010-G1012 VanDerWaalsContact C-N 3.33Å; Q1010-E1013 PolarHBondContact O-N 3.05Å; Q1010-V1014 WeakPolarHBondContact O-CG2 3.46Å; Q1010-V1014 PolarHBondContact O-N 3.46Å; Q1010-L1030 HydrophobicContact CB-CB 4.49Å; Q1010-L1030 HydrophobicContact CB-CD1 3.91Å; Q1010-L1030 HydrophobicContact CG-CB 4.12Å; Q1010-L1030 HydrophobicContact CG-CD1 4.29Å; Q1010-L1030 VanDerWaalsContact O-CD1 3.25Å; Q1010-L1030 WeakPolarHBondContact O-CD1 3.23Å; Q1010-T1032 PolarHBondContact NE2-OG1 3.32Å; Q1010-I1044 HydrophobicContact CG-CD1 4.15Å; Q1010-I1044 HydrophobicContact CG-CG1 4.47Å; Q1010-I1044 HydrophobicContact CG-CG2 4.45Å
1011	L	93.4	Very high	86	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66	-35.7	172.7	-79.3	168.8	0	0	0	112	M950 F977 F979 P986 I989 V1007 E1008 A1009 V1014 I1015	M950-L1011 HydrophobicContact CE-CD2 3.95Å; M950-L1011 HydrophobicContact CE-CG 3.89Å; M950-L1011 HydrophobicContact SD-CD2 4.14Å; M950-L1011 HydrophobicContact SD-CG 4.48Å; F977-L1011 HydrophobicContact CE2-CD2 4.02Å; F977-L1011 HydrophobicContact CZ-CD2 4.02Å; F979-L1011 HydrophobicContact CD1-CD2 4.49Å; F979-L1011 HydrophobicContact CE1-CD2 3.89Å; F979-L1011 HydrophobicContact CZ-CD2 3.92Å; P986-L1011 HydrophobicContact CB-CB 3.82Å; P986-L1011 HydrophobicContact CB-CD1 4.42Å; P986-L1011 HydrophobicContact CG-CB 4.14Å; I989-L1011 HydrophobicContact CB-CD1 3.71Å; I989-L1011 HydrophobicContact CD1-CD1 4.11Å; I989-L1011 HydrophobicContact CD1-CD2 4.19Å; I989-L1011 HydrophobicContact CG2-CD1 3.66Å; I989-L1011 HydrophobicContact CG2-CD2 4.48Å; V1007-L1011 HydrophobicContact CG1-CD1 3.84Å; V1007-L1011 HydrophobicContact CG1-CG 4.22Å; V1007-L1011 VanDerWaalsContact O-CB 3.23Å; V1007-L1011 WeakPolarHBondContact O-CB 3.49Å; V1007-L1011 VanDerWaalsContact O-CG 3.23Å; V1007-L1011 WeakPolarHBondContact O-CG 3.26Å; V1007-L1011 PolarHBondContact O-N 2.8Å; E1008-L1011 PolarHBondContact O-N 2.82Å; A1009-L1011 VanDerWaalsContact C-N 3.35Å; A1009-L1011 PolarHBondContact O-N 2.93Å; L1011-V1014 PolarHBondContact O-N 3.46Å; L1011-I1015 WeakPolarHBondContact O-CG1 3.34Å; L1011-I1015 PolarHBondContact O-N 3.06Å
1012	G	90.7	Very high	84.9	Confident	30 Å²	30	46.4 Å²	46.4	31%	0.309	27%	0.265	S	S	.	.	H	α-helix	trans	-56.6	-48.5	170.5	0	0	0	0	0	112.1	E1008 A1009 Q1010 I1015 Q1016	E1008-G1012 PolarHBondContact O-N 3.37Å; A1009-G1012 WeakPolarHBondContact O-CA 3.34Å; A1009-G1012 PolarHBondContact O-N 2.86Å; A1009-G1012 VanDerWaalsContact O-N 3.17Å; Q1010-G1012 VanDerWaalsContact C-N 3.33Å; G1012-I1015 PolarHBondContact O-N 2.99Å; G1012-Q1016 WeakPolarHBondContact O-CB 3.48Å; G1012-Q1016 PolarHBondContact O-N 2.83Å
1013	E	88.6	Confident	83.7	Confident	71 Å²	71	49.1 Å²	49.1	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-63.1	-42.9	174.2	-76.8	-165.6	175.9	0	0	112.6	A1009 Q1010 I1015 Q1016 L1017 L1030 I1044	A1009-E1013 PolarHBondContact O-N 2.85Å; A1009-E1013 VanDerWaalsContact O-N 3.07Å; Q1010-E1013 PolarHBondContact O-N 3.05Å; E1013-I1015 VanDerWaalsContact C-N 3.35Å; E1013-I1015 PolarHBondContact O-N 2.72Å; E1013-Q1016 PolarHBondContact O-N 3.04Å; E1013-L1017 WeakPolarHBondContact O-CB 3.31Å; E1013-L1017 PolarHBondContact O-N 2.8Å; E1013-L1030 HydrophobicContact CB-CD1 3.78Å; E1013-L1030 WeakPolarHBondContact OE2-CD2 3.47Å; E1013-I1044 WeakPolarHBondContact OE2-CG2 3.31Å
1014	V	88.9	Confident	82.4	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.012	30%	0.299	C	S	.	.	H	α-helix	trans	-59.2	-44.8	177.1	173.8	0	0	0	0	111.6	M950 I952 V964 F979 Q1010 L1011 L1017 I1018 L1030	M950-V1014 HydrophobicContact CE-CG2 3.83Å; I952-V1014 HydrophobicContact CD1-CB 4.39Å; I952-V1014 HydrophobicContact CD1-CG1 3.87Å; I952-V1014 HydrophobicContact CD1-CG2 4.06Å; I952-V1014 HydrophobicContact CG1-CG1 4.06Å; I952-V1014 HydrophobicContact CG1-CG2 4.06Å; V964-V1014 HydrophobicContact CG1-CG1 4.05Å; F979-V1014 HydrophobicContact CE1-CG1 4.37Å; F979-V1014 HydrophobicContact CZ-CG1 3.82Å; Q1010-V1014 WeakPolarHBondContact O-CG2 3.46Å; Q1010-V1014 PolarHBondContact O-N 3.46Å; L1011-V1014 PolarHBondContact O-N 3.46Å; V1014-L1017 PolarHBondContact O-N 2.86Å; V1014-I1018 HydrophobicContact CG1-CD1 3.79Å; V1014-I1018 WeakPolarHBondContact O-CG1 3.42Å; V1014-I1018 PolarHBondContact O-N 3.27Å; V1014-I1018 VanDerWaalsContact O-N 3.09Å; V1014-L1030 HydrophobicContact CG2-CD1 3.9Å
1015	I	88.1	Confident	81.5	Confident	26 Å²	26	54.9 Å²	54.9	13%	0.133	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-45.3	176.5	-69.3	173.6	0	0	0	110.5	F979 P981 P986 L1011 G1012 E1013 L1017 I1018 N1019	F979-I1015 HydrophobicContact CE2-CD1 4.19Å; F979-I1015 HydrophobicContact CE2-CG1 3.79Å; F979-I1015 HydrophobicContact CZ-CG1 4.36Å; P981-I1015 HydrophobicContact CB-CG1 4.01Å; P981-I1015 HydrophobicContact CB-CG2 4.36Å; P986-I1015 HydrophobicContact CG-CD1 3.7Å; L1011-I1015 WeakPolarHBondContact O-CG1 3.34Å; L1011-I1015 PolarHBondContact O-N 3.06Å; G1012-I1015 PolarHBondContact O-N 2.99Å; E1013-I1015 VanDerWaalsContact C-N 3.35Å; E1013-I1015 PolarHBondContact O-N 2.72Å; I1015-L1017 VanDerWaalsContact C-N 3.32Å; I1015-L1017 PolarHBondContact O-N 2.8Å; I1015-I1018 PolarHBondContact O-N 2.92Å; I1015-N1019 WeakPolarHBondContact CG2-ND2 3.41Å; I1015-N1019 VanDerWaalsContact O-CB 3.24Å; I1015-N1019 WeakPolarHBondContact O-CB 3.37Å; I1015-N1019 PolarHBondContact O-N 3.37Å; I1015-N1019 PolarHBondContact O-ND2 3.1Å
1016	Q	84.5	Confident	81.1	Confident	133 Å²	133	50.7 Å²	50.7	62%	0.621	28%	0.278	S	S	*	.	H	α-helix	trans	-62.2	-39.5	177.9	-172.7	172.5	4.1	0	0	112.1	G1012 E1013 S1020	G1012-Q1016 WeakPolarHBondContact O-CB 3.48Å; G1012-Q1016 PolarHBondContact O-N 2.83Å; E1013-Q1016 PolarHBondContact O-N 3.04Å; Q1016-S1020 WeakPolarHBondContact O-CB 3.3Å; Q1016-S1020 PolarHBondContact O-N 3.04Å; Q1016-S1020 VanDerWaalsContact O-N 3.1Å; Q1016-S1020 PolarHBondContact O-OG 2.92Å
1017	L	84.6	Confident	80.7	Confident	48 Å²	48	52 Å²	52	25%	0.251	29%	0.294	S	S	.	.	H	α-helix	trans	-64.1	-47.6	179.6	-151.3	72.8	0	0	0	111.8	I952 E1013 V1014 I1015 S1020 D1021 T1028 M1048	I952-L1017 HydrophobicContact CD1-CD2 3.89Å; E1013-L1017 WeakPolarHBondContact O-CB 3.31Å; E1013-L1017 PolarHBondContact O-N 2.8Å; V1014-L1017 PolarHBondContact O-N 2.86Å; I1015-L1017 VanDerWaalsContact C-N 3.32Å; I1015-L1017 PolarHBondContact O-N 2.8Å; L1017-S1020 PolarHBondContact O-N 2.88Å; L1017-D1021 PolarHBondContact O-N 2.95Å; L1017-T1028 HydrophobicContact CD2-CG2 3.84Å; L1017-M1048 HydrophobicContact CD1-CE 3.72Å; L1017-M1048 HydrophobicContact CD2-CE 4.41Å; L1017-M1048 HydrophobicContact CG-CE 4.46Å
1018	I	81	Confident	80.3	Confident	17 Å²	17	52.1 Å²	52.1	9%	0.087	29%	0.294	C	S	.	.	H	α-helix	trans	-77.3	-32.6	-175.3	-65.4	174.6	0	0	0	111.3	I952 V964 V1014 I1015 S1020 G1022	I952-I1018 HydrophobicContact CD1-CD1 4.3Å; I952-I1018 HydrophobicContact CG2-CD1 4.34Å; V964-I1018 HydrophobicContact CB-CD1 4.07Å; V964-I1018 HydrophobicContact CG1-CD1 3.37Å; V964-I1018 HydrophobicContact CG2-CD1 3.47Å; V964-I1018 VanDerWaalsContact CG2-CD1 3.47Å; V964-I1018 HydrophobicContact CG2-CG2 4.12Å; V1014-I1018 HydrophobicContact CG1-CD1 3.79Å; V1014-I1018 WeakPolarHBondContact O-CG1 3.42Å; V1014-I1018 PolarHBondContact O-N 3.27Å; V1014-I1018 VanDerWaalsContact O-N 3.09Å; I1015-I1018 PolarHBondContact O-N 2.92Å; I1018-S1020 PolarHBondContact O-N 3.5Å; I1018-G1022 WeakPolarHBondContact O-CA 3.43Å; I1018-G1022 PolarHBondContact O-N 3.04Å
1019	N	79	Confident	80.2	Confident	112 Å²	112	53.7 Å²	53.7	60%	0.599	30%	0.3	S	S	*	.	H	α-helix	trans	-70.5	-15.4	168.7	-68.1	-11.5	0	0	0	113.5	I1015	I1015-N1019 WeakPolarHBondContact CG2-ND2 3.41Å; I1015-N1019 VanDerWaalsContact O-CB 3.24Å; I1015-N1019 WeakPolarHBondContact O-CB 3.37Å; I1015-N1019 PolarHBondContact O-N 3.37Å; I1015-N1019 PolarHBondContact O-ND2 3.1Å
1020	S	74.1	Confident	80.1	Confident	96 Å²	96	51.7 Å²	51.7	67%	0.671	28%	0.283	S	S	*	.	H	α-helix	trans	-90.3	-44.9	175.4	-59.8	0	0	0	0	112.7	Q1016 L1017 I1018	Q1016-S1020 WeakPolarHBondContact O-CB 3.3Å; Q1016-S1020 PolarHBondContact O-N 3.04Å; Q1016-S1020 VanDerWaalsContact O-N 3.1Å; Q1016-S1020 PolarHBondContact O-OG 2.92Å; L1017-S1020 PolarHBondContact O-N 2.88Å; I1018-S1020 PolarHBondContact O-N 3.5Å
1021	D	66.6	Low	79.8	Confident	62 Å²	62	52.4 Å²	52.4	33%	0.332	29%	0.289	S	S	.	.			trans	-155.1	97	177.7	-165.2	-41.6	0	0	0	110.5	L1017 K1023 K1024	L1017-D1021 PolarHBondContact O-N 2.95Å; D1021-K1023 PolarHBondContact O-N 3Å; D1021-K1024 HydrophobicContact CB-CB 4.22Å; D1021-K1024 HydrophobicContact CB-CD 4.3Å; D1021-K1024 HydrophobicContact CB-CG 4.39Å; D1021-K1024 PolarHBondContact O-N 3.4Å; D1021-K1024 VanDerWaalsContact O-N 3.14Å; D1021-K1024 VanDerWaalsContact OD2-CD 3.26Å; D1021-K1024 WeakPolarHBondContact OD2-CD 3.48Å; D1021-K1024 WeakPolarHBondContact OD2-CE 3.35Å; D1021-K1024 IonicContact OD2-NZ 3.86Å; D1021-K1024 PolarHBondContact OD2-NZ 2.98Å
1022	G	61.9	Low	79.3	Confident	25 Å²	25	52.6 Å²	52.6	26%	0.258	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-11	-167.9	0	0	0	0	0	116.1	I1018	I1018-G1022 WeakPolarHBondContact O-CA 3.43Å; I1018-G1022 PolarHBondContact O-N 3.04Å
1023	K	59.7	Low	78.4	Confident	143 Å²	143	54.5 Å²	54.5	62%	0.622	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-12.8	-179.8	-74.9	167.9	-179.1	155.6	0	114.6	E957 D1021	E957-K1023 VanDerWaalsContact CD-CE 3.43Å; E957-K1023 WeakPolarHBondContact OE1-CE 3.19Å; E957-K1023 IonicContact OE1-NZ 2.93Å; E957-K1023 PolarHBondContact OE1-NZ 2.94Å; E957-K1023 WeakPolarHBondContact OE2-CE 2.95Å; E957-K1023 IonicContact OE2-NZ 3.19Å; E957-K1023 PolarHBondContact OE2-NZ 3.47Å; D1021-K1023 PolarHBondContact O-N 3Å
1024	K	60.3	Low	77.3	Confident	141 Å²	141	53 Å²	53	61%	0.613	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-8.8	176.7	-66.7	-177.6	-172.7	137.2	0	114.7	D1021	D1021-K1024 HydrophobicContact CB-CB 4.22Å; D1021-K1024 HydrophobicContact CB-CD 4.3Å; D1021-K1024 HydrophobicContact CB-CG 4.39Å; D1021-K1024 PolarHBondContact O-N 3.4Å; D1021-K1024 VanDerWaalsContact O-N 3.14Å; D1021-K1024 VanDerWaalsContact OD2-CD 3.26Å; D1021-K1024 WeakPolarHBondContact OD2-CD 3.48Å; D1021-K1024 WeakPolarHBondContact OD2-CE 3.35Å; D1021-K1024 IonicContact OD2-NZ 3.86Å; D1021-K1024 PolarHBondContact OD2-NZ 2.98Å
1025	G	68.7	Low	75.8	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.01	31%	0.309	C	S	.	.			trans	-74.5	-29.9	179.5	0	0	0	0	0	114.6	I952 G1027 T1028	I952-G1025 WeakPolarHBondContact CD1-O 3.49Å; G1025-G1027 PolarHBondContact O-N 3.18Å; G1025-T1028 WeakPolarHBondContact O-CB 3.5Å; G1025-T1028 PolarHBondContact O-N 3.26Å; G1025-T1028 PolarHBondContact O-OG1 2.87Å
1026	V	78.2	Confident	73.9	Confident	58 Å²	58	61 Å²	61	35%	0.352	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	136.1	-173	-175.6	0	0	0	0	111.1	T1028 P1049	V1026-T1028 VanDerWaalsContact C-N 3.25Å; V1026-T1028 PolarHBondContact O-N 3.23Å; V1026-P1049 WeakPolarHBondContact O-CG 3.46Å
1027	G	80.2	Confident	71.9	Confident	35 Å²	35	62.2 Å²	62.2	36%	0.361	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	-9	-174.6	0	0	0	0	0	115.3	I952 G1025 K1029	I952-G1027 WeakPolarHBondContact O-CA 3.48Å; I952-G1027 PolarHBondContact O-N 2.87Å; G1025-G1027 PolarHBondContact O-N 3.18Å; G1027-K1029 PolarHBondContact O-N 3.5Å
1028	T	84.6	Confident	70	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.006	36%	0.36	C	S	.	.			trans	-65.9	134.1	178.3	-58.7	0	0	0	0	110.9	E951 I952 L1017 G1025 V1026 L1030 M1048	E951-T1028 WeakPolarHBondContact CA-O 3.31Å; I952-T1028 PolarHBondContact N-O 3.02Å; L1017-T1028 HydrophobicContact CD2-CG2 3.84Å; G1025-T1028 WeakPolarHBondContact O-CB 3.5Å; G1025-T1028 PolarHBondContact O-N 3.26Å; G1025-T1028 PolarHBondContact O-OG1 2.87Å; V1026-T1028 VanDerWaalsContact C-N 3.25Å; V1026-T1028 PolarHBondContact O-N 3.23Å; T1028-L1030 HydrophobicContact CG2-CD2 4.27Å; T1028-M1048 HydrophobicContact CG2-CG 4.03Å
1029	K	88.8	Confident	68.2	Low	79 Å²	79	69.5 Å²	69.5	34%	0.343	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	108.1	-173.3	-164.4	162.8	-168.2	152.4	0	111	V949 M950 E951 G1027 V1047	V949-K1029 HydrophobicContact CG1-CD 4.2Å; V949-K1029 VanDerWaalsContact CG1-CE 3.42Å; V949-K1029 HydrophobicContact CG1-CG 3.74Å; M950-K1029 CarbonylContact O-C 3.58Å; M950-K1029 WeakPolarHBondContact O-CA 3.36Å; E951-K1029 HydrophobicContact CB-CG 4.41Å; E951-K1029 WeakPolarHBondContact OE2-CD 3.32Å; E951-K1029 WeakPolarHBondContact OE2-CE 3.24Å; E951-K1029 IonicContact OE2-NZ 2.62Å; E951-K1029 PolarHBondContact OE2-NZ 2.85Å; G1027-K1029 PolarHBondContact O-N 3.5Å; K1029-V1047 PolarHBondContact N-O 3.46Å; K1029-V1047 PolarHBondContact O-N 3.43Å
1030	L	88.1	Confident	66.3	Low	5 Å²	5	71.6 Å²	71.6	3%	0.026	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	133.3	174.9	-54.1	-174.7	0	0	0	109.3	V949 M950 Q1010 E1013 V1014 T1028 I1044 A1046	V949-L1030 CarbonylContact C-O 3.6Å; V949-L1030 VanDerWaalsContact CA-O 3.31Å; V949-L1030 WeakPolarHBondContact CA-O 3.39Å; V949-L1030 WeakPolarHBondContact CG1-O 3.37Å; M950-L1030 PolarHBondContact N-O 3.37Å; M950-L1030 PolarHBondContact O-N 3.45Å; Q1010-L1030 HydrophobicContact CB-CB 4.49Å; Q1010-L1030 HydrophobicContact CB-CD1 3.91Å; Q1010-L1030 HydrophobicContact CG-CB 4.12Å; Q1010-L1030 HydrophobicContact CG-CD1 4.29Å; Q1010-L1030 VanDerWaalsContact O-CD1 3.25Å; Q1010-L1030 WeakPolarHBondContact O-CD1 3.23Å; E1013-L1030 HydrophobicContact CB-CD1 3.78Å; E1013-L1030 WeakPolarHBondContact OE2-CD2 3.47Å; V1014-L1030 HydrophobicContact CG2-CD1 3.9Å; T1028-L1030 HydrophobicContact CG2-CD2 4.27Å; L1030-I1044 HydrophobicContact CB-CG2 4.34Å; L1030-A1046 HydrophobicContact CD2-CB 3.55Å
1031	A	86	Confident	64.9	Low	16 Å²	16	72.5 Å²	72.5	13%	0.132	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	136.9	178.5	0	0	0	0	0	111.6	V949 T1045	V949-A1031 HydrophobicContact CG2-CB 4.38Å; A1031-T1045 PolarHBondContact N-O 2.68Å; A1031-T1045 PolarHBondContact O-N 2.68Å
1032	T	82.8	Confident	64.3	Low	3 Å²	3	73 Å²	73	2%	0.018	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139.2	175.1	-56.3	0	0	0	0	109.2	K947 V948 I1006 Q1010 P1042	K947-T1032 WeakPolarHBondContact CA-O 3.14Å; V948-T1032 PolarHBondContact N-O 2.85Å; V948-T1032 PolarHBondContact O-N 3.07Å; I1006-T1032 HydrophobicContact CD1-CG2 4.36Å; I1006-T1032 HydrophobicContact CG1-CG2 4.4Å; I1006-T1032 HydrophobicContact CG2-CG2 3.84Å; Q1010-T1032 PolarHBondContact NE2-OG1 3.32Å; T1032-P1042 HydrophobicContact CG2-CB 3.79Å
1033	V	72	Confident	63.8	Low	70 Å²	70	77.3 Å²	77.3	42%	0.424	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.6	-178.8	-179.6	0	0	0	0	109	K945 K947	K945-V1033 HydrophobicContact CB-CG1 3.99Å; K945-V1033 HydrophobicContact CD-CG1 3.78Å; K945-V1033 HydrophobicContact CG-CG1 4.45Å; K947-V1033 HydrophobicContact CG-CG2 4.3Å
1034	L	64.3	Low	64	Low	40 Å²	40	72.3 Å²	72.3	21%	0.209	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	114.7	175.2	-81.2	162.8	0	0	0	110.2	R946 I1006	R946-L1034 HydrophobicContact CB-CB 4.17Å; R946-L1034 HydrophobicContact CB-CD1 4.46Å; R946-L1034 PolarHBondContact O-N 3.47Å; I1006-L1034 HydrophobicContact CD1-CD1 3.67Å; I1006-L1034 HydrophobicContact CD1-CD2 3.96Å; I1006-L1034 HydrophobicContact CD1-CG 3.76Å
1035	D	58.4	Low	64.3	Low	77 Å²	77	69.6 Å²	69.6	41%	0.412	41%	0.413	S	S	.	.			trans	-94.3	120.5	157.7	-87.1	-55.2	0	0	0	108.8	K945 N1037 S1038	K945-D1035 VanDerWaalsContact CE-OD1 3.27Å; K945-D1035 WeakPolarHBondContact CE-OD1 3.27Å; K945-D1035 IonicContact NZ-OD1 2.76Å; K945-D1035 PolarHBondContact NZ-OD1 2.95Å; K945-D1035 IonicContact NZ-OD2 2.71Å; K945-D1035 PolarHBondContact NZ-OD2 2.82Å; D1035-N1037 PolarHBondContact O-N 2.66Å; D1035-S1038 PolarHBondContact O-N 3.16Å
1036	P	48.3	Very low	63.8	Low	118 Å²	118	72.3 Å²	72.3	77%	0.766	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	6	-166.2	31.4	-38.1	0	0	0	115.4
1037	N	43	Very low	62.6	Low	160 Å²	160	73.7 Å²	73.7	86%	0.856	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.7	7.2	-173.8	-89.5	48	0	0	0	113.5	D1035	D1035-N1037 PolarHBondContact O-N 2.66Å
1038	S	43.4	Very low	60.8	Low	66 Å²	66	77.4 Å²	77.4	46%	0.462	45%	0.453	S	S	.	.			trans	-101.1	140.6	178.1	-169.8	0	0	0	0	112.2	D1035 E1040	D1035-S1038 PolarHBondContact O-N 3.16Å; S1038-E1040 PolarHBondContact OG-N 3.01Å
1039	T	44.4	Very low	58.6	Low	151 Å²	151	79.8 Å²	79.8	93%	0.926	47%	0.469	S	S	*	.			trans	-93.6	1	172.4	-23.6	0	0	0	0	112.5
1040	E	39.5	Very low	56	Low	157 Å²	157	85.4 Å²	85.4	73%	0.734	49%	0.493	S	S	*	.	S	Bend	trans	-82.1	150.7	-179.8	-65.6	-172.9	145.2	0	0	112.5	S1038	S1038-E1040 PolarHBondContact OG-N 3.01Å
1041	P	43	Very low	53.2	Low	115 Å²	115	91.5 Å²	91.5	75%	0.747	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-64.4	143.1	177.5	27	-35	0	0	0	112	T1043	P1041-T1043 PolarHBondContact O-N 3.49Å
1042	P	53.9	Low	50.6	Low	72 Å²	72	96 Å²	96	47%	0.468	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-73.4	117.6	-170.6	28.5	-35.1	0	0	0	112.7	T1032 I1044	T1032-P1042 HydrophobicContact CG2-CB 3.79Å; P1042-I1044 PolarHBondContact O-N 2.89Å
1043	T	51.9	Low	47.9	Very low	115 Å²	115	101.4 Å²	101.4	71%	0.706	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-65	123.2	174.8	-43.8	0	0	0	0	111.4	P1041	P1041-T1043 PolarHBondContact O-N 3.49Å
1044	I	63.1	Low	45.8	Very low	39 Å²	39	103 Å²	103	20%	0.2	61%	0.614	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-84	139.3	167.8	-57.6	175.2	0	0	0	108.6	A1009 Q1010 E1013 L1030 P1042	A1009-I1044 HydrophobicContact CB-CD1 3.8Å; Q1010-I1044 HydrophobicContact CG-CD1 4.15Å; Q1010-I1044 HydrophobicContact CG-CG1 4.47Å; Q1010-I1044 HydrophobicContact CG-CG2 4.45Å; E1013-I1044 WeakPolarHBondContact OE2-CG2 3.31Å; L1030-I1044 HydrophobicContact CB-CG2 4.34Å; P1042-I1044 PolarHBondContact O-N 2.89Å
1045	T	67.7	Low	44.1	Very low	83 Å²	83	105.4 Å²	105.4	51%	0.509	64%	0.64	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.7	111.4	170	-52.8	0	0	0	0	109.1	A1031	A1031-T1045 PolarHBondContact N-O 2.68Å; A1031-T1045 PolarHBondContact O-N 2.68Å
1046	A	58.3	Low	42.5	Very low	58 Å²	58	108.4 Å²	108.4	48%	0.479	66%	0.661	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.2	133.8	171.9	0	0	0	0	0	110.9	L1030	L1030-A1046 HydrophobicContact CD2-CB 3.55Å
1047	V	53.3	Low	41.6	Very low	88 Å²	88	107.1 Å²	107.1	53%	0.533	66%	0.661	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.5	108.3	170.9	-176.3	0	0	0	0	108.1	K1029	K1029-V1047 PolarHBondContact N-O 3.46Å; K1029-V1047 PolarHBondContact O-N 3.43Å
1048	M	41.7	Very low	40.9	Very low	113 Å²	113	104.8 Å²	104.8	56%	0.557	66%	0.657	S	S	*	*			trans	-79	151	174.7	-75	179.4	164	0	0	111.6	L1017 T1028	L1017-M1048 HydrophobicContact CD1-CE 3.72Å; L1017-M1048 HydrophobicContact CD2-CE 4.41Å; L1017-M1048 HydrophobicContact CG-CE 4.46Å; T1028-M1048 HydrophobicContact CG2-CG 4.03Å
1049	P	38.5	Very low	40.4	Very low	51 Å²	51	108.4 Å²	108.4	33%	0.331	67%	0.671	S	S	.	*			trans	-65.2	149.6	162.5	31.8	-34.1	0	0	0	109.5	V1026 D1051	V1026-P1049 WeakPolarHBondContact O-CG 3.46Å; P1049-D1051 PolarHBondContact O-N 2.86Å
1050	K	34	Very low	39.6	Very low	197 Å²	197	107.9 Å²	107.9	86%	0.857	67%	0.668	S	S	*	*			trans	-98	65.4	-172.5	-163.2	-176.3	178.2	-175.5	0	111.7
1051	D	29.9	Very low	39.6	Very low	133 Å²	133	109.2 Å²	109.2	71%	0.711	67%	0.671	S	S	*	*			trans	-70.5	130.9	174.1	-65	-26.8	0	0	0	110.6	P1049	P1049-D1051 PolarHBondContact O-N 2.86Å
1052	S	30.5	Very low	39.2	Very low	109 Å²	109	109.4 Å²	109.4	76%	0.762	67%	0.673	S	S	*	*			trans	-159.2	71.4	177.1	-72.1	0	0	0	0	112.1
1053	S	26.6	Very low	38.4	Very low	117 Å²	117	112.4 Å²	112.4	82%	0.818	68%	0.678	S	S	*	*			trans	-90	121.3	158.4	57.4	0	0	0	0	110.4
1054	A	27.9	Very low	37.5	Very low	103 Å²	103	112.8 Å²	112.8	85%	0.851	68%	0.675	S	S	*	*			trans	71.1	167.5	165.3	0	0	0	0	0	119.9
1055	A	27.8	Very low	36.1	Very low	91 Å²	91	117.3 Å²	117.3	75%	0.752	70%	0.695	S	S	*	*			trans	73.9	75.4	165.1	0	0	0	0	0	120.5
1056	T	26.8	Very low	34.4	Very low	140 Å²	140	118.2 Å²	118.2	86%	0.859	70%	0.696	S	S	*	*				41	131.8	116.6	-46.2	0	0	0	0	122.1
1057	A	28.8	Very low	33.1	Very low	92 Å²	92	121.9 Å²	121.9	76%	0.76	70%	0.703	S	S	*	*			trans	73.9	148.4	161.6	0	0	0	0	0	118.7
1058	S	28.9	Very low	32.2	Very low	110 Å²	110	125.2 Å²	125.2	77%	0.769	71%	0.71	S	S	*	*			cis	-161.4	125	-24	51.6	0	0	0	0	112.3
1059	N	31.2	Very low	32	Very low	143 Å²	143	124.9 Å²	124.9	77%	0.765	71%	0.714	S	S	*	*			trans	15.9	123.9	153.3	-169.9	26.9	0	0	0	121.1
1060	T	27.8	Very low	32.5	Very low	140 Å²	140	127.2 Å²	127.2	86%	0.859	73%	0.73	S	S	*	*				-169.8	146.7	123.9	15.5	0	0	0	0	113.3
1061	K	40.1	Very low	32.7	Very low	184 Å²	184	123.6 Å²	123.6	80%	0.8	73%	0.726	S	S	*	*			trans	-161.6	137.6	175.7	-170.2	-175.7	-177	-179.6	0	110.5
1062	P	34.6	Very low	32.9	Very low	120 Å²	120	122.2 Å²	122.2	78%	0.779	72%	0.723	S	S	*	*				-141.1	163.6	122.3	29.1	-10.9	0	0	0	111.6
1063	K	38	Very low	32.9	Very low	135 Å²	135	127.4 Å²	127.4	59%	0.587	73%	0.726	S	S	*	*			cis	86.8	100.2	19.1	-161.4	-102.2	177.8	179.3	0	117	E1065	K1063-E1065 IonicContact NZ-OE1 3.46Å; K1063-E1065 PolarHBondContact NZ-OE1 3.23Å; K1063-E1065 IonicContact NZ-OE2 3.9Å; K1063-E1065 PolarHBondContact NZ-OE2 2.96Å
1064	I	32.2	Very low	33	Very low	122 Å²	122	127.2 Å²	127.2	63%	0.626	72%	0.716	S	S	*	*			trans	-148	127.6	152.3	-47.4	-179.1	0	0	0	103.6
1065	E	32.7	Very low	33.2	Very low	134 Å²	134	126.2 Å²	126.2	63%	0.626	71%	0.707	S	S	*	*			cis	89.5	131.2	33.6	-157.2	149.3	-124.7	0	0	112.9	K1063	K1063-E1065 IonicContact NZ-OE1 3.46Å; K1063-E1065 PolarHBondContact NZ-OE1 3.23Å; K1063-E1065 IonicContact NZ-OE2 3.9Å; K1063-E1065 PolarHBondContact NZ-OE2 2.96Å
1066	I	33.4	Very low	33.3	Very low	103 Å²	103	126.2 Å²	126.2	53%	0.528	70%	0.702	S	S	.	*				169.3	121.1	107.1	-89.7	172	0	0	0	106.4
1067	E	31.6	Very low	33.3	Very low	134 Å²	134	127.1 Å²	127.1	63%	0.626	70%	0.696	S	S	*	*				77.5	147.7	106.7	-132.4	-158.3	150	0	0	114.2
1068	K	33.6	Very low	33.4	Very low	159 Å²	159	129.6 Å²	129.6	69%	0.691	69%	0.692	S	S	*	*			cis	-153.2	145.1	34.9	-107.9	152.7	170.5	62.4	0	108.2
1069	T	36.5	Very low	33.9	Very low	105 Å²	105	128.7 Å²	128.7	64%	0.644	68%	0.684	S	S	*	*			cis	71	151.1	35.1	73.2	0	0	0	0	116.1
1070	P	49.1	Very low	33.9	Very low	100 Å²	100	128.2 Å²	128.2	65%	0.649	68%	0.681	S	S	*	*			cis	-119.3	-135.3	-17.5	45.9	-30.5	0	0	0	109	T1072	P1070-T1072 WeakPolarHBondContact CB-OG1 3.47Å
1071	P	39.6	Very low	34	Very low	121 Å²	121	127.6 Å²	127.6	79%	0.786	67%	0.672	S	S	*	*			cis	-69	177.9	-12.9	-18.3	34.7	0	0	0	113.8
1072	T	32.5	Very low	33.6	Very low	105 Å²	105	123.9 Å²	123.9	64%	0.644	67%	0.665	S	S	*	*			cis	100.9	130.9	-8.8	-30.1	0	0	0	0	120.6	P1070	P1070-T1072 WeakPolarHBondContact CB-OG1 3.47Å
1073	R	30.4	Very low	33.2	Very low	218 Å²	218	126.2 Å²	126.2	82%	0.823	67%	0.665	S	S	*	*			trans	109.3	130.9	152	-69.6	-145	137.3	119.5	7.4	118.5
1074	D	29.8	Very low	32.7	Very low	113 Å²	113	124.1 Å²	124.1	60%	0.604	66%	0.663	S	S	*	*			cis	-164.4	162.6	-21.4	-134	-26.9	0	0	0	111.1
1075	A	31.3	Very low	32.5	Very low	81 Å²	81	124.5 Å²	124.5	67%	0.669	67%	0.672	S	S	*	*			trans	62	146.9	146	0	0	0	0	0	121.1
1076	S	30.4	Very low	32.1	Very low	91 Å²	91	124.7 Å²	124.7	64%	0.636	68%	0.677	S	S	*	*			cis	-174.9	157.2	-13.9	-108	0	0	0	0	112.5
1077	Q	27.8	Very low	31.8	Very low	159 Å²	159	124.2 Å²	124.2	74%	0.743	68%	0.679	S	S	*	*			trans	68.7	151.3	136.8	-73.4	-175.6	-69.4	0	0	121.8
1078	E	30.8	Very low	31.6	Very low	145 Å²	145	128.2 Å²	128.2	68%	0.678	69%	0.688	S	S	*	*			cis	-163.4	-171.1	-27.8	-124.9	-162.4	117.1	0	0	109.8
1079	P	37.9	Very low	31.3	Very low	91 Å²	91	128.8 Å²	128.8	59%	0.591	69%	0.691	S	S	*	*			trans	-130.4	-119.7	-140.1	41	-15.7	0	0	0	112.1
1080	N	32.7	Very low	30.8	Very low	132 Å²	132	128.9 Å²	128.9	71%	0.706	69%	0.691	S	S	*	*			trans	75.4	149.1	166.7	-67.8	-38.9	0	0	0	117.1
1081	N	29.1	Very low	29.7	Very low	128 Å²	128	128 Å²	128	68%	0.684	69%	0.687	S	S	*	*			cis	-170.6	-177.4	-22.7	-172.4	11.5	0	0	0	107.2
1082	V	30.8	Very low	29.1	Very low	106 Å²	106	128.7 Å²	128.7	64%	0.642	68%	0.68	S	S	*	*			trans	78.4	113.7	164.6	-165.6	0	0	0	0	113.9	V1084	V1082-V1084 HydrophobicContact CG1-CG2 4.17Å
1083	Q	27.9	Very low	28.7	Very low	169 Å²	169	131.1 Å²	131.1	79%	0.79	68%	0.684	S	S	*	*			cis	92.2	162.3	32.9	-166	-162.7	89.8	0	0	113
1084	V	26.3	Very low	28.6	Very low	90 Å²	90	124.9 Å²	124.9	55%	0.545	67%	0.674	S	S	.	*			trans	92.8	94.2	158	-160.7	0	0	0	0	118.2	V1082	V1082-V1084 HydrophobicContact CG1-CG2 4.17Å
1085	T	27.9	Very low	28.4	Very low	130 Å²	130	126.6 Å²	126.6	80%	0.798	68%	0.683	S	S	*	*			trans	70.2	162.9	142.5	64	0	0	0	0	121.6
1086	N	25.5	Very low	28.2	Very low	139 Å²	139	126.7 Å²	126.7	74%	0.743	68%	0.684	S	S	*	*			cis	160.9	178.3	-20.7	-166.9	-4.9	0	0	0	105.8
1087	V	26.9	Very low	28	Very low	92 Å²	92	130.4 Å²	130.4	56%	0.558	69%	0.691	S	S	*	*			trans	76.7	102.2	152.3	172.1	0	0	0	0	119.1
1088	R	27.4	Very low	27.9	Very low	219 Å²	219	127.6 Å²	127.6	83%	0.826	69%	0.689	S	S	*	*				75	154.9	128.9	-75.1	-169.4	-176.1	127.5	-0.5	119.6
1089	K	26.5	Very low	27.7	Very low	171 Å²	171	125.6 Å²	125.6	74%	0.743	69%	0.686	S	S	*	*			cis	179.3	158.6	-1.7	155.9	-172.7	161.9	-171.4	0	110.7
1090	V	25.7	Very low	27.1	Very low	106 Å²	106	129.8 Å²	129.8	64%	0.642	70%	0.698	S	S	*	*			trans	79.5	111.6	155	146.7	0	0	0	0	119.6
1091	S	27.2	Very low	27	Very low	83 Å²	83	128.6 Å²	128.6	58%	0.58	70%	0.7	S	S	*	*				70.7	162.5	116.2	-61	0	0	0	0	121.3
1092	Q	25.9	Very low	27.1	Very low	135 Å²	135	130 Å²	130	63%	0.631	71%	0.706	S	S	*	*			cis	-153.5	178.5	-12.9	-118.1	158.3	-81.4	0	0	108.9
1093	E	25.7	Very low	27.3	Very low	155 Å²	155	130.8 Å²	130.8	72%	0.724	71%	0.713	S	S	*	*			trans	20.1	146.1	139.3	-68.2	142.9	-152.9	0	0	121.2
1094	S	27.4	Very low	27.6	Very low	88 Å²	88	133.8 Å²	133.8	62%	0.615	72%	0.717	S	S	*	*			cis	-176.4	170.5	-6.6	53.8	0	0	0	0	110.8
1095	N	24.6	Very low	28.2	Very low	148 Å²	148	135.4 Å²	135.4	79%	0.791	73%	0.729	S	S	*	*			trans	59.8	144.7	139.7	-71.2	-14.4	0	0	0	121.8
1096	A	28	Very low	28.6	Very low	83 Å²	83	133.1 Å²	133.1	69%	0.686	73%	0.732	S	S	*	*			trans	71.2	147	139.7	0	0	0	0	0	118.6
1097	E	26.8	Very low	28.9	Very low	169 Å²	169	129.7 Å²	129.7	79%	0.79	73%	0.73	S	S	*	*			cis	-165.5	160.3	-16.7	-116.8	179	86.5	0	0	107.3
1098	S	25.8	Very low	29.1	Very low	101 Å²	101	133.3 Å²	133.3	71%	0.706	74%	0.744	S	S	*	*			trans	64.6	171.4	149.8	-83	0	0	0	0	117.9
1099	V	26.1	Very low	29.2	Very low	102 Å²	102	129.7 Å²	129.7	62%	0.618	74%	0.74	S	S	*	*			cis	-165	148.5	-44.3	122.9	0	0	0	0	106.2
1100	Q	26	Very low	29.3	Very low	180 Å²	180	127.2 Å²	127.2	84%	0.841	74%	0.739	S	S	*	*			trans	63.7	165.3	168.9	-77.4	152.3	22.9	0	0	115.7
1101	S	29.2	Very low	29.7	Very low	107 Å²	107	130.7 Å²	130.7	75%	0.748	75%	0.75	S	S	*	*			cis	-156.3	153.1	-12.1	36.8	0	0	0	0	113.1
1102	I	31.8	Very low	30.1	Very low	158 Å²	158	131.9 Å²	131.9	81%	0.81	76%	0.758	S	S	*	*			trans	-48.3	141.1	163.5	-72.5	159.4	0	0	0	112.3
1103	P	34.6	Very low	30.8	Very low	122 Å²	122	130.7 Å²	130.7	79%	0.792	76%	0.763	S	S	*	*				-150.3	161.6	92.2	39.9	-20.2	0	0	0	120.3
1104	R	34.6	Very low	31	Very low	232 Å²	232	129.5 Å²	129.5	88%	0.875	77%	0.766	S	S	*	*			trans	-81.7	-159.6	161.6	-68.2	-178.8	165.5	-172.4	-2.2	109.5
1105	P	39	Very low	31.1	Very low	123 Å²	123	132 Å²	132	80%	0.799	77%	0.772	S	S	*	*			cis	-145.8	-179.7	0.3	45	-25.1	0	0	0	119.2
1106	G	35	Very low	31.5	Very low	83 Å²	83	132.6 Å²	132.6	86%	0.856	77%	0.77	S	S	*	*			trans	88.4	152.3	158.3	0	0	0	0	0	116.2
1107	G	32.3	Very low	31.6	Very low	67 Å²	67	134.5 Å²	134.5	69%	0.691	77%	0.773	S	S	*	*			cis	154.4	170.8	-4.3	0	0	0	0	0	111.4
1108	I	31.7	Very low	31.8	Very low	168 Å²	168	133.2 Å²	133.2	86%	0.862	77%	0.772	S	S	*	*			trans	71.5	141.9	163.7	-65.2	168	0	0	0	115.6
1109	I	30.3	Very low	32.2	Very low	143 Å²	143	133 Å²	133	73%	0.733	77%	0.771	S	S	*	*			cis	-156.5	154.2	-19.9	-113.1	177.3	0	0	0	110.2
1110	V	28	Very low	32.5	Very low	119 Å²	119	132.6 Å²	132.6	72%	0.721	78%	0.778	S	S	*	*			trans	2.9	138.1	154.5	-161.3	0	0	0	0	120.5
1111	M	34	Very low	33	Very low	178 Å²	178	129.9 Å²	129.9	88%	0.877	78%	0.776	S	S	*	*				163.5	122.1	120.5	-84.8	-174.4	102.7	0	0	114.7
1112	S	35.5	Very low	33.8	Very low	108 Å²	108	130.8 Å²	130.8	76%	0.755	78%	0.78	S	S	*	*			trans	-88.2	170.6	155.1	-43.4	0	0	0	0	109.5
1113	P	39.5	Very low	34.3	Very low	111 Å²	111	128.6 Å²	128.6	72%	0.721	78%	0.775	S	S	*	*				-161.7	176.4	84.4	45.3	-25	0	0	0	118.1
1114	T	31.2	Very low	34.1	Very low	130 Å²	130	129.9 Å²	129.9	80%	0.798	78%	0.781	S	S	*	*			trans	28.9	156.9	139.2	59.5	0	0	0	0	123.7
1115	N	29.8	Very low	33.9	Very low	139 Å²	139	122 Å²	122	74%	0.743	77%	0.773	S	S	*	*			cis	175.1	-171.7	-12.8	-174.5	18.6	0	0	0	107.7
1116	Q	31.8	Very low	33.4	Very low	161 Å²	161	121 Å²	121	75%	0.752	78%	0.775	S	S	*	*			trans	88	113.4	167.7	-64.9	167.8	107.5	0	0	115.3
1117	T	30	Very low	33.1	Very low	123 Å²	123	122 Å²	122	76%	0.755	78%	0.775	S	S	*	*				71.5	147.7	78.6	59.8	0	0	0	0	113.7
1118	D	32.7	Very low	33.1	Very low	142 Å²	142	123.5 Å²	123.5	76%	0.759	78%	0.781	S	S	*	*			cis	-162.8	169	34.6	-153	-15.8	0	0	0	114.2
1119	S	33.3	Very low	33.3	Very low	98 Å²	98	125 Å²	125	69%	0.685	78%	0.781	S	S	*	*			trans	51.6	126.6	158.7	63.9	0	0	0	0	120.9
1120	A	31.4	Very low	33.8	Very low	93 Å²	93	123.8 Å²	123.8	77%	0.769	78%	0.782	S	S	*	*				85.9	166.3	53.9	0	0	0	0	0	114.6
1121	P	37.7	Very low	34.2	Very low	122 Å²	122	123.1 Å²	123.1	79%	0.792	78%	0.783	S	S	*	*				-126.3	167.1	-82.7	38.1	-23.5	0	0	0	116.3
1122	P	46.5	Very low	34.3	Very low	127 Å²	127	122.8 Å²	122.8	83%	0.825	77%	0.772	S	S	*	*			trans	-118.7	144.9	-173.3	40.2	-31	0	0	0	117.9
1123	P	41.9	Very low	34.2	Very low	111 Å²	111	125.1 Å²	125.1	72%	0.721	77%	0.769	S	S	*	*			trans	-146.2	160.2	161.1	41.3	-25.7	0	0	0	118
1124	T	30.6	Very low	33.9	Very low	149 Å²	149	126.3 Å²	126.3	91%	0.914	77%	0.765	S	S	*	*			trans	67.6	158.7	165	67.7	0	0	0	0	119.2
1125	G	29.1	Very low	33.9	Very low	68 Å²	68	126.3 Å²	126.3	70%	0.701	76%	0.764	S	S	*	*			cis	168.6	174.9	-6.2	0	0	0	0	0	113.5
1126	A	30.1	Very low	34	Very low	102 Å²	102	125 Å²	125	84%	0.843	76%	0.761	S	S	*	*			trans	71	125.9	177.4	0	0	0	0	0	116.8
1127	A	28.6	Very low	34	Very low	103 Å²	103	126 Å²	126	85%	0.851	76%	0.763	S	S	*	*				86.1	144.7	75.5	0	0	0	0	0	113.7
1128	A	32	Very low	34	Very low	99 Å²	99	125.3 Å²	125.3	82%	0.818	76%	0.764	S	S	*	*			cis	-150.7	177.2	12	0	0	0	0	0	114.7
1129	K	35.5	Very low	34.1	Very low	199 Å²	199	123.1 Å²	123.1	87%	0.865	77%	0.765	S	S	*	*			trans	-76.8	176.2	171.6	-72.1	177.4	179.9	175.9	0	111
1130	P	39.9	Very low	34	Very low	117 Å²	117	125.4 Å²	125.4	76%	0.76	77%	0.77	S	S	*	*			cis	-162.2	-179.7	38.3	45.9	-22.8	0	0	0	122.4
1131	S	37.2	Very low	34.4	Very low	106 Å²	106	126.3 Å²	126.3	74%	0.741	77%	0.768	S	S	*	*			trans	69.6	159	146.2	-109.1	0	0	0	0	119.4
1132	R	35.8	Very low	33.9	Very low	170 Å²	170	128 Å²	128	64%	0.642	77%	0.768	S	S	*	*			cis	-160.4	165.2	-2.1	-149.1	168.9	169.3	154.3	-1.5	107
1133	F	34.2	Very low	33.2	Very low	158 Å²	158	125.4 Å²	125.4	69%	0.693	76%	0.758	S	S	*	*			cis	-122.3	-170	12.1	-76.9	-100.8	0	0	0	110.4
1134	Q	33	Very low	32.8	Very low	135 Å²	135	124.8 Å²	124.8	63%	0.631	75%	0.752	S	S	*	*			cis	72	142.8	25.2	-30.9	176.9	-79.8	0	0	113.4
1135	V	31.5	Very low	32.9	Very low	130 Å²	130	121.7 Å²	121.7	79%	0.788	74%	0.735	S	S	*	*			cis	-137.8	150.9	22.5	177.4	0	0	0	0	114.3
1136	T	30.6	Very low	33	Very low	111 Å²	111	124.3 Å²	124.3	68%	0.681	73%	0.731	S	S	*	*			trans	-54.5	-178.5	175	63.1	0	0	0	0	117.8
1137	K	31.6	Very low	33.1	Very low	183 Å²	183	122.6 Å²	122.6	80%	0.796	71%	0.713	S	S	*	*			cis	-170.4	153.8	24.7	-143.3	155.7	-173.9	-178.4	0	114.5
1138	S	30.7	Very low	33.3	Very low	109 Å²	109	121.2 Å²	121.2	76%	0.762	70%	0.697	S	S	*	*			trans	19.1	134.9	151.8	-53.1	0	0	0	0	124.3
1139	A	34.4	Very low	33.2	Very low	96 Å²	96	120.5 Å²	120.5	79%	0.793	69%	0.686	S	S	*	*				170.6	139.2	108.4	0	0	0	0	0	114.6
1140	D	32.8	Very low	33.1	Very low	145 Å²	145	116.9 Å²	116.9	78%	0.775	68%	0.675	S	S	*	*			trans	-95.1	-168.4	176.2	-38.3	-98.3	0	0	0	111.7
1141	P	38.2	Very low	32.6	Very low	113 Å²	113	113 Å²	113	73%	0.734	65%	0.651	S	S	*	*			cis	-139.6	-162.6	-7.2	26.8	0.4	0	0	0	115.1
1142	I	28.6	Very low	32.2	Very low	156 Å²	156	112.7 Å²	112.7	80%	0.8	64%	0.644	S	S	*	*			trans	107.7	136.6	149.8	-61.1	173.2	0	0	0	119.4
1143	A	31.7	Very low	31.8	Very low	74 Å²	74	108.6 Å²	108.6	61%	0.612	65%	0.647	S	S	*	*			trans	68.2	93.2	163.1	0	0	0	0	0	118.6
1144	T	32.3	Very low	31.4	Very low	97 Å²	97	107.4 Å²	107.4	60%	0.595	65%	0.653	S	S	*	*				81	143.5	80.6	57.5	0	0	0	0	115.7	N1265	T1144-N1265 WeakPolarHBondContact CB-OD1 3.08Å; T1144-N1265 PolarHBondContact O-ND2 3.02Å; T1144-N1265 PolarHBondContact OG1-ND2 2.65Å; T1144-N1265 PolarHBondContact OG1-OD1 3.27Å
1145	P	33.7	Very low	31.1	Very low	84 Å²	84	106.4 Å²	106.4	55%	0.545	66%	0.656	S	S	.	*			trans	-138.1	-167.9	-131.1	45.3	-28.4	0	0	0	116.9
1146	I	30.2	Very low	31	Very low	124 Å²	124	106.4 Å²	106.4	64%	0.636	65%	0.65	S	S	*	*			trans	65.3	102.8	160.8	-59.4	162.4	0	0	0	116.3	V1263	I1146-V1263 WeakPolarHBondContact O-CA 3.33Å
1147	S	32.4	Very low	31.2	Very low	65 Å²	65	106.7 Å²	106.7	46%	0.455	65%	0.654	S	S	.	*				171.4	172.8	81.1	-144.8	0	0	0	0	116	V1262	S1147-V1262 VanDerWaalsContact CB-CG2 3.46Å; S1147-V1262 WeakPolarHBondContact OG-CG2 3.4Å
1148	S	32.4	Very low	31	Very low	75 Å²	75	104.1 Å²	104.1	52%	0.524	65%	0.648	S	S	.	*			trans	63.7	116.2	158.2	54	0	0	0	0	121.8
1149	S	31.1	Very low	30.8	Very low	83 Å²	83	105.1 Å²	105.1	58%	0.58	65%	0.649	S	S	*	*			trans	74.9	157.2	147.2	70	0	0	0	0	121.3	E50	E50-S1149 WeakPolarHBondContact OE1-CA 3.35Å
1150	I	32.5	Very low	30.7	Very low	123 Å²	123	105.1 Å²	105.1	63%	0.631	65%	0.649	S	S	*	*			trans	92.8	78.3	168.3	-48.5	172.8	0	0	0	115.7	E50	E50-I1150 PolarHBondContact OE1-N 3.37Å
1151	S	29.6	Very low	30.6	Very low	37 Å²	37	103.2 Å²	103.2	26%	0.259	65%	0.653	S	S	.	*				7.2	160.5	125.5	-57.2	0	0	0	0	123.4	Q49	Q49-S1151 VanDerWaalsContact CG-OG 3.31Å; Q49-S1151 WeakPolarHBondContact CG-OG 3.2Å; Q49-S1151 WeakPolarHBondContact O-CB 3.37Å; Q49-S1151 PolarHBondContact O-OG 2.87Å
1152	T	28.3	Very low	30.6	Very low	98 Å²	98	103.9 Å²	103.9	60%	0.601	66%	0.655	S	S	*	*			trans	88.1	131	157.1	-25	0	0	0	0	117.2	Q49	Q49-T1152 PolarHBondContact OE1-OG1 2.77Å
1153	A	28.1	Very low	30.8	Very low	85 Å²	85	101.7 Å²	101.7	70%	0.702	65%	0.651	S	S	*	*			trans	-84.6	147.7	-171.3	0	0	0	0	0	115.2
1154	T	26	Very low	30.7	Very low	133 Å²	133	103.2 Å²	103.2	82%	0.816	65%	0.653	S	S	*	*			trans	-169.3	102	150.6	-77.4	0	0	0	0	106.4
1155	V	26.4	Very low	30.4	Very low	113 Å²	113	104.8 Å²	104.8	69%	0.685	66%	0.657	S	S	*	*				95	116.8	66.8	159.8	0	0	0	0	112.7
1156	I	29.4	Very low	30	Very low	131 Å²	131	106.9 Å²	106.9	67%	0.672	66%	0.663	S	S	*	*			trans	72.1	151.6	159.4	-72.8	171.1	0	0	0	117	I1158	I1156-I1158 HydrophobicContact CB-CD1 4.45Å; I1156-I1158 HydrophobicContact CD1-CD1 3.96Å; I1156-I1158 HydrophobicContact CG1-CD1 3.77Å; I1156-I1158 HydrophobicContact CG1-CG1 4.23Å; I1156-I1158 HydrophobicContact CG2-CD1 4.03Å
1157	P	34.4	Very low	29.9	Very low	116 Å²	116	106 Å²	106	75%	0.753	66%	0.663	S	S	*	*			cis	-102.5	160.7	-0.9	10.8	12.9	0	0	0	113.9
1158	I	27.1	Very low	29.8	Very low	130 Å²	130	108.9 Å²	108.9	67%	0.667	68%	0.684	S	S	*	*			cis	84.1	137.7	39.8	-54.8	171.8	0	0	0	114.1	I1156	I1156-I1158 HydrophobicContact CB-CD1 4.45Å; I1156-I1158 HydrophobicContact CD1-CD1 3.96Å; I1156-I1158 HydrophobicContact CG1-CD1 3.77Å; I1156-I1158 HydrophobicContact CG1-CG1 4.23Å; I1156-I1158 HydrophobicContact CG2-CD1 4.03Å
1159	V	27.8	Very low	29.7	Very low	130 Å²	130	112 Å²	112	79%	0.788	69%	0.69	S	S	*	*			trans	73.7	103	-178	-160.2	0	0	0	0	114.5
1160	A	31.1	Very low	30	Very low	96 Å²	96	113.8 Å²	113.8	79%	0.793	70%	0.7	S	S	*	*			cis	88.7	133.2	21.6	0	0	0	0	0	117
1161	A	30.4	Very low	29.7	Very low	104 Å²	104	112.9 Å²	112.9	86%	0.86	70%	0.7	S	S	*	*			trans	-159.5	90.8	162.6	0	0	0	0	0	111.5
1162	T	38.1	Very low	29.6	Very low	127 Å²	127	118.4 Å²	118.4	78%	0.779	73%	0.725	S	S	*	*			trans	-87.5	161.6	159.8	48.5	0	0	0	0	110
1163	P	34.6	Very low	29.6	Very low	111 Å²	111	119.7 Å²	119.7	72%	0.721	73%	0.732	S	S	*	*				-137.4	151.1	100.5	35.1	-20.4	0	0	0	111.7
1164	T	28.1	Very low	29.6	Very low	105 Å²	105	123.4 Å²	123.4	64%	0.644	74%	0.735	S	S	*	*				61.6	140.7	52.4	77.7	0	0	0	0	112.4
1165	N	25.9	Very low	30.1	Very low	130 Å²	130	121.9 Å²	121.9	70%	0.695	73%	0.727	S	S	*	*			cis	-169.1	151.2	43.8	-120.7	-10.3	0	0	0	113.8
1166	I	27.1	Very low	30	Very low	128 Å²	128	123.4 Å²	123.4	66%	0.656	73%	0.73	S	S	*	*			trans	66.6	104.1	134.5	-63.5	169.7	0	0	0	121.8
1167	T	26.7	Very low	29.8	Very low	105 Å²	105	123.2 Å²	123.2	64%	0.644	74%	0.735	S	S	*	*				44.1	135	111.5	-37.8	0	0	0	0	122.5	E1169	T1167-E1169 HydrophobicContact CG2-CG 4.35Å
1168	S	31.4	Very low	29.5	Very low	127 Å²	127	121.5 Å²	121.5	89%	0.888	73%	0.731	S	S	*	*			trans	-150.1	96.3	149.8	-72.3	0	0	0	0	112.5
1169	E	30.2	Very low	29.5	Very low	139 Å²	139	123.6 Å²	123.6	65%	0.65	74%	0.738	S	S	*	*			trans	-48.4	157.3	162.2	-85.9	-84	162.2	0	0	113.7	T1167 V1171	T1167-E1169 HydrophobicContact CG2-CG 4.35Å; E1169-V1171 HydrophobicContact CB-CG2 4.27Å; E1169-V1171 PolarHBondContact OE2-N 2.56Å
1170	P	36.6	Very low	29.4	Very low	122 Å²	122	122.6 Å²	122.6	79%	0.792	73%	0.732	S	S	*	*				-146.6	120.4	86.1	36.8	-17.9	0	0	0	120.1
1171	V	27.3	Very low	29.3	Very low	104 Å²	104	124.8 Å²	124.8	63%	0.63	73%	0.729	S	S	*	*				41	155.7	112.8	-133.7	0	0	0	0	121.9	E1169	E1169-V1171 HydrophobicContact CB-CG2 4.27Å; E1169-V1171 PolarHBondContact OE2-N 2.56Å
1172	I	26.5	Very low	29.3	Very low	153 Å²	153	124.6 Å²	124.6	79%	0.785	72%	0.717	S	S	*	*			trans	88.9	130.2	156.6	-65.7	164.8	0	0	0	115.9
1173	V	28	Very low	29.2	Very low	125 Å²	125	126.5 Å²	126.5	76%	0.758	72%	0.717	S	S	*	*			cis	-160.8	-179.9	-20.9	104.2	0	0	0	0	110.1
1174	Q	29.2	Very low	28.9	Very low	163 Å²	163	128.5 Å²	128.5	76%	0.762	72%	0.721	S	S	*	*			trans	-59.2	-174.6	171.1	-47.4	172.8	4	0	0	113
1175	P	35	Very low	29.2	Very low	101 Å²	101	127.8 Å²	127.8	66%	0.656	73%	0.725	S	S	*	*			cis	-150.8	-179.2	9	48.8	-28.9	0	0	0	118.8
1176	I	24.8	Very low	29.6	Very low	145 Å²	145	127.8 Å²	127.8	74%	0.744	73%	0.73	S	S	*	*			trans	48.7	110.5	131.3	-68.4	168.4	0	0	0	121
1177	T	25.8	Very low	30.1	Very low	126 Å²	126	127.3 Å²	127.3	77%	0.773	74%	0.735	S	S	*	*				78.7	132.6	129.7	-64.1	0	0	0	0	123.1
1178	A	27	Very low	30.4	Very low	80 Å²	80	127.4 Å²	127.4	66%	0.661	74%	0.74	S	S	*	*			trans	71.5	150.4	152.3	0	0	0	0	0	118.5
1179	Q	27.8	Very low	30.7	Very low	174 Å²	174	127.3 Å²	127.3	81%	0.813	74%	0.737	S	S	*	*			cis	-165.9	179.4	-10.2	-118.7	179.8	-3.2	0	0	110.5
1180	V	26.6	Very low	30.8	Very low	109 Å²	109	126.7 Å²	126.7	66%	0.661	74%	0.742	S	S	*	*			trans	86.9	112	138.6	142.6	0	0	0	0	120.2
1181	I	28.7	Very low	30.4	Very low	143 Å²	143	124.8 Å²	124.8	73%	0.733	73%	0.732	S	S	*	*			trans	69.2	119.9	138.9	-62.6	178.8	0	0	0	117.2
1182	T	29.1	Very low	30.5	Very low	100 Å²	100	128.2 Å²	128.2	61%	0.613	74%	0.74	S	S	*	*			cis	-151.6	-158.5	1.2	11.8	0	0	0	0	109.4
1183	H	36.4	Very low	30.7	Very low	166 Å²	166	125.2 Å²	125.2	77%	0.769	73%	0.733	S	S	*	*			cis	-152.3	-168.9	20.9	-115	-51.7	0	0	0	114.4
1184	L	29.3	Very low	30.8	Very low	154 Å²	154	126.6 Å²	126.6	81%	0.806	74%	0.735	S	S	*	*			trans	-82.7	159.9	-178.7	-87.3	56.5	0	0	0	112.4
1185	A	35	Very low	31	Very low	89 Å²	89	123.5 Å²	123.5	74%	0.736	73%	0.731	S	S	*	*			cis	-159.8	146.7	-6.6	0	0	0	0	0	112.6
1186	T	33.5	Very low	30.9	Very low	130 Å²	130	122.9 Å²	122.9	80%	0.798	73%	0.73	S	S	*	*			trans	-87.9	168.8	152.3	48.7	0	0	0	0	110.4
1187	P	36.8	Very low	31	Very low	118 Å²	118	123 Å²	123	77%	0.766	73%	0.732	S	S	*	*				-144.8	134.6	111.9	35.2	-20.9	0	0	0	115.4
1188	S	34.4	Very low	31.1	Very low	107 Å²	107	121.8 Å²	121.8	75%	0.748	73%	0.729	S	S	*	*			trans	-87.5	126.6	142.1	-61.6	0	0	0	0	108.3	V1190	S1188-V1190 PolarHBondContact O-N 3.42Å
1189	P	37.5	Very low	31.8	Very low	126 Å²	126	123.1 Å²	123.1	82%	0.818	73%	0.733	S	S	*	*			trans	-87.8	83.7	164.7	33.6	-30.2	0	0	0	109.5
1190	V	30.8	Very low	32.2	Very low	126 Å²	126	120.9 Å²	120.9	76%	0.764	73%	0.734	S	S	*	*			trans	-77	121.4	151.4	-79.4	0	0	0	0	107.8	S1188	S1188-V1190 PolarHBondContact O-N 3.42Å
1191	S	29.7	Very low	32.5	Very low	82 Å²	82	121.4 Å²	121.4	57%	0.573	74%	0.742	S	S	*	*				150.5	165.5	120.8	-68.2	0	0	0	0	113.2
1192	H	29.2	Very low	32.5	Very low	175 Å²	175	118.8 Å²	118.8	81%	0.81	74%	0.742	S	S	*	*			trans	81.8	124.5	156.6	-51.8	-55	0	0	0	117.9
1193	S	31	Very low	32.7	Very low	90 Å²	90	120 Å²	120	63%	0.629	75%	0.75	S	S	*	*			cis	-177.1	-169	-24	30.7	0	0	0	0	108.1
1194	L	30.1	Very low	32.3	Very low	155 Å²	155	117.5 Å²	117.5	81%	0.812	75%	0.746	S	S	*	*			trans	85.1	132.4	162.6	-45.4	178	0	0	0	113.4
1195	S	32.4	Very low	32.1	Very low	97 Å²	97	118.1 Å²	118.1	68%	0.678	74%	0.744	S	S	*	*			cis	-167.2	166.1	-4.9	-111.8	0	0	0	0	109
1196	S	33.1	Very low	31.6	Very low	88 Å²	88	119 Å²	119	62%	0.615	75%	0.745	S	S	*	*			cis	-168.3	147.1	4.7	34.1	0	0	0	0	111.1
1197	N	27.3	Very low	31.1	Very low	147 Å²	147	120.2 Å²	120.2	79%	0.786	75%	0.747	S	S	*	*			trans	66.2	143.5	136.1	-61.3	8.8	0	0	0	120.3
1198	S	28.4	Very low	30.6	Very low	102 Å²	102	122.6 Å²	122.6	71%	0.713	75%	0.75	S	S	*	*			cis	-160.6	154.3	-8.8	-102.8	0	0	0	0	111.9
1199	S	41	Very low	30.2	Very low	108 Å²	108	122.5 Å²	122.5	76%	0.755	75%	0.749	S	S	*	*			trans	-67.6	167.3	158.3	-39	0	0	0	0	110.6
1200	P	35.3	Very low	29.9	Very low	127 Å²	127	121 Å²	121	83%	0.825	74%	0.742	S	S	*	*				-150.7	-175.8	81.3	40.2	-20.9	0	0	0	115.9
1201	S	34.6	Very low	29.6	Very low	120 Å²	120	123 Å²	123	84%	0.839	75%	0.746	S	S	*	*			trans	-83.9	-165.8	-179	-41.5	0	0	0	0	114.1
1202	A	28.7	Very low	29.5	Very low	88 Å²	88	126.4 Å²	126.4	73%	0.727	75%	0.753	S	S	*	*			trans	100.8	105.7	176.4	0	0	0	0	0	113.1
1203	T	32.2	Very low	29.5	Very low	126 Å²	126	123.2 Å²	123.2	77%	0.773	75%	0.75	S	S	*	*				85.7	165.1	73.3	-64.9	0	0	0	0	110.9
1204	T	28.9	Very low	29.3	Very low	113 Å²	113	124.6 Å²	124.6	69%	0.693	76%	0.755	S	S	*	*			trans	67.1	98.4	-176.8	16.7	0	0	0	0	113.2
1205	H	25.2	Very low	29.3	Very low	167 Å²	167	123 Å²	123	77%	0.773	75%	0.752	S	S	*	*				47.9	105.6	86.9	-50.1	-57.9	0	0	0	110.6
1206	S	22.5	Very low	29.1	Very low	107 Å²	107	122.9 Å²	122.9	75%	0.748	75%	0.751	S	S	*	*				161.2	167.7	79.4	55	0	0	0	0	107.4
1207	N	23.8	Very low	29	Very low	156 Å²	156	125 Å²	125	83%	0.834	76%	0.76	S	S	*	*			cis	-155.5	-177	-6.1	-124.7	-13.1	0	0	0	109.1
1208	M	25.6	Very low	29.3	Very low	168 Å²	168	123.9 Å²	123.9	83%	0.828	76%	0.761	S	S	*	*			trans	-67.9	158.6	162.3	-60.3	176.2	69.4	0	0	112.2
1209	S	26.5	Very low	29.5	Very low	105 Å²	105	122.5 Å²	122.5	73%	0.734	76%	0.762	S	S	*	*			trans	97.2	126.6	149.5	-41.4	0	0	0	0	120.2
1210	S	32	Very low	28.8	Very low	95 Å²	95	128.1 Å²	128.1	66%	0.664	77%	0.767	S	S	*	*				35.9	113.1	128.4	-51.5	0	0	0	0	121.7
1211	I	23.6	Very low	28.3	Very low	166 Å²	166	132.8 Å²	132.8	85%	0.851	77%	0.768	S	S	*	*				-109.3	88.9	121.7	-58.5	179	0	0	0	104.8
1212	Q	27.3	Very low	27.8	Very low	154 Å²	154	135.4 Å²	135.4	72%	0.72	77%	0.765	S	S	*	*	S	Bend		65.2	120.1	96.6	-64.2	171.6	29.3	0	0	111.4
1213	S	29.9	Very low	27.7	Very low	108 Å²	108	136.5 Å²	136.5	76%	0.755	76%	0.763	S	S	*	*			cis	-114.9	143.2	35.2	-56	0	0	0	0	116.6
1214	T	27.8	Very low	27.2	Very low	119 Å²	119	136.4 Å²	136.4	73%	0.73	76%	0.762	S	S	*	*			trans	43.7	131.2	139.1	60.6	0	0	0	0	120.7
1215	T	29.4	Very low	27.3	Very low	122 Å²	122	139.7 Å²	139.7	75%	0.748	77%	0.769	S	S	*	*			cis	-172.1	160	8.1	10.1	0	0	0	0	110.6
1216	S	27.8	Very low	27.6	Very low	95 Å²	95	136.7 Å²	136.7	66%	0.664	76%	0.764	S	S	*	*			trans	34	128.2	151.2	62.4	0	0	0	0	121.6
1217	V	31	Very low	27.7	Very low	133 Å²	133	136.7 Å²	136.7	81%	0.806	76%	0.76	S	S	*	*				61.7	138.8	60.1	-179.9	0	0	0	0	113.1
1218	P	34.3	Very low	27.9	Very low	123 Å²	123	130.7 Å²	130.7	80%	0.799	73%	0.73	S	S	*	*			cis	-125.4	-158.9	-16.9	40.7	-23.1	0	0	0	112.3
1219	G	32.1	Very low	28.1	Very low	72 Å²	72	126.8 Å²	126.8	74%	0.742	71%	0.71	S	S	*	*			trans	-90.2	148.8	172.8	0	0	0	0	0	116.4
1220	R	26	Very low	28.2	Very low	227 Å²	227	123.1 Å²	123.1	86%	0.857	69%	0.686	S	S	*	*			trans	-156.8	139.3	161.5	-91.8	179.5	179	-177.5	-1.4	105.7
1221	R	24.9	Very low	28.1	Very low	225 Å²	225	126.3 Å²	126.3	85%	0.849	69%	0.69	S	S	*	*				53.7	78.7	59	-163.1	-171.4	-164.2	174.5	8.6	114.6
1222	F	24.4	Very low	28.4	Very low	174 Å²	174	123.7 Å²	123.7	76%	0.763	69%	0.686	S	S	*	*			trans	-178.5	119.7	145.5	-79.7	-64.4	0	0	0	104.7
1223	T	25.6	Very low	28.5	Very low	111 Å²	111	119.7 Å²	119.7	68%	0.681	69%	0.687	S	S	*	*				67	138.4	50.5	71.8	0	0	0	0	115.2
1224	V	23	Very low	28.6	Very low	124 Å²	124	122.4 Å²	122.4	75%	0.752	69%	0.691	S	S	*	*			trans	77.1	118	178.8	-161	0	0	0	0	110.7
1225	Q	31.1	Very low	28.7	Very low	182 Å²	182	122 Å²	122	85%	0.85	69%	0.694	S	S	*	*				59.4	161.3	66.9	-71.4	-174.9	-4.2	0	0	113.9
1226	P	31.3	Very low	28.9	Very low	104 Å²	104	121 Å²	121	68%	0.675	69%	0.692	S	S	*	*			cis	-128.1	-151.4	-45	38.1	-20.1	0	0	0	110.1
1227	V	24.6	Very low	29	Very low	108 Å²	108	120.8 Å²	120.8	66%	0.655	69%	0.69	S	S	*	*			trans	69	-179.4	156.5	146.7	0	0	0	0	115.4	L154	L154-V1227 HydrophobicContact CD2-CG2 4.13Å
1228	S	28.7	Very low	28.8	Very low	29 Å²	29	117.3 Å²	117.3	20%	0.203	67%	0.666	C	S	.	*				-162.8	178.2	-69.5	-152	0	0	0	0	108.2	L154 H156	L154-S1228 VanDerWaalsContact C-OG 3.31Å; L154-S1228 PolarHBondContact O-OG 2.61Å; H156-S1228 VanDerWaalsContact CG-C 3.48Å
1229	Q	28.8	Very low	28.4	Very low	87 Å²	87	115.4 Å²	115.4	41%	0.407	66%	0.656	S	S	.	*			cis	-159.4	153.9	16.8	178.8	68.7	1.6	0	0	109.8	H153 N155 H156	H153-Q1229 PolarHBondContact O-NE2 3.27Å; H153-Q1229 PolarHBondContact O-OE1 2.85Å; N155-Q1229 PolarHBondContact ND2-OE1 2.97Å; H156-Q1229 PolarHBondContact ND1-N 3.35Å
1230	A	28.9	Very low	28.7	Very low	28 Å²	28	118.2 Å²	118.2	23%	0.231	66%	0.659	C	S	.	*			trans	61.8	174.4	156.8	0	0	0	0	0	117.4	N155	N155-A1230 PolarHBondContact ND2-N 3.42Å; N155-A1230 VanDerWaalsContact ND2-N 3.1Å
1231	E	28.8	Very low	29	Very low	162 Å²	162	113.2 Å²	113.2	76%	0.757	66%	0.655	S	S	*	*			cis	-159.2	171.3	-14.4	-116.1	159.1	167.2	0	0	106.6
1232	S	31	Very low	29.5	Very low	110 Å²	110	109.3 Å²	109.3	77%	0.769	65%	0.647	S	S	*	*			cis	-164.8	161.8	6.1	44	0	0	0	0	109.8
1233	G	29.5	Very low	29.9	Very low	71 Å²	71	106.6 Å²	106.6	73%	0.732	65%	0.646	S	S	*	*			trans	72.4	140.9	159.1	0	0	0	0	0	118.3
1234	I	32	Very low	30.3	Very low	164 Å²	164	107 Å²	107	84%	0.841	64%	0.64	S	S	*	*			cis	-145.6	139.1	1.7	43.5	175.1	0	0	0	112.1
1235	S	29.6	Very low	30.8	Very low	112 Å²	112	106.9 Å²	106.9	78%	0.783	64%	0.643	S	S	*	*			trans	1.9	153.6	151.4	-42.6	0	0	0	0	121
1236	S	33.2	Very low	31	Very low	101 Å²	101	103.2 Å²	103.2	71%	0.706	63%	0.633	S	S	*	*			cis	-163.4	141.1	7.1	10.4	0	0	0	0	109.9
1237	S	30.8	Very low	31.2	Very low	89 Å²	89	104 Å²	104	62%	0.622	64%	0.638	S	S	*	*				67.5	126.7	80.8	-43.9	0	0	0	0	113.7
1238	I	26.4	Very low	31.5	Very low	60 Å²	60	103.3 Å²	103.3	31%	0.308	64%	0.643	S	S	.	*				-165.2	138.5	56.6	-104.7	112.3	0	0	0	111.4	N146 V147 A148	N146-I1238 HydrophobicContact CB-CD1 3.81Å; N146-I1238 HydrophobicContact CB-CG1 4.39Å; N146-I1238 HydrophobicContact CB-CG2 4.46Å; N146-I1238 WeakPolarHBondContact OD1-CG2 3.38Å; V147-I1238 HydrophobicContact CG2-CD1 4.42Å; A148-I1238 HydrophobicContact CB-CD1 4.17Å; A148-I1238 HydrophobicContact CB-CG1 4.32Å
1239	S	26.7	Very low	31.5	Very low	84 Å²	84	109.8 Å²	109.8	59%	0.587	67%	0.674	S	S	*	*				58.6	132.9	98.4	-22.1	0	0	0	0	117.1
1240	T	38.2	Very low	31.4	Very low	131 Å²	131	111.7 Å²	111.7	80%	0.804	69%	0.691	S	S	*	*			cis	60.9	141.1	44.9	65.1	0	0	0	0	114.4
1241	P	30.7	Very low	31.5	Very low	121 Å²	121	115.8 Å²	115.8	79%	0.786	72%	0.718	S	S	*	*			cis	-150.7	-177	42.5	43.2	-21.7	0	0	0	120.6
1242	H	37.1	Very low	31.5	Very low	144 Å²	144	113.9 Å²	113.9	67%	0.667	72%	0.722	S	S	*	*			trans	-41	167	153.4	-128.6	-132.3	0	0	0	114	E1244	H1242-E1244 IonicContact CE1-OE2 3.42Å
1243	P	31.7	Very low	32.2	Very low	117 Å²	117	114.2 Å²	114.2	76%	0.76	72%	0.721	S	S	*	*			cis	-149.9	160	42.3	41.7	-20.1	0	0	0	122.5
1244	E	33.8	Very low	32.4	Very low	118 Å²	118	116.8 Å²	116.8	55%	0.551	73%	0.725	S	S	*	*			trans	-16.9	160.9	138.6	-109.1	-159.5	109.3	0	0	119.6	H1242 T1246	H1242-E1244 IonicContact CE1-OE2 3.42Å; E1244-T1246 PolarHBondContact OE1-N 2.9Å; E1244-T1246 PolarHBondContact OE1-OG1 2.93Å
1245	P	33.3	Very low	32.4	Very low	123 Å²	123	114.3 Å²	114.3	80%	0.799	72%	0.72	S	S	*	*				-144.5	166.2	55	40.9	-21.9	0	0	0	120.1
1246	T	35.2	Very low	32.6	Very low	105 Å²	105	115.1 Å²	115.1	64%	0.644	72%	0.719	S	S	*	*			trans	-83.1	174	166.2	60.4	0	0	0	0	112	E1244	E1244-T1246 PolarHBondContact OE1-N 2.9Å; E1244-T1246 PolarHBondContact OE1-OG1 2.93Å
1247	P	36.7	Very low	32.6	Very low	120 Å²	120	115.9 Å²	115.9	78%	0.779	72%	0.722	S	S	*	*				-154.6	143.8	79.4	38.9	-17.5	0	0	0	119.6
1248	A	30.9	Very low	32.4	Very low	93 Å²	93	116.6 Å²	116.6	77%	0.769	73%	0.727	S	S	*	*			trans	31.2	120.2	137.2	0	0	0	0	0	124
1249	I	28.5	Very low	32.8	Very low	165 Å²	165	120.1 Å²	120.1	85%	0.846	75%	0.751	S	S	*	*				-165.4	140.4	125.8	31.2	170	0	0	0	107.8
1250	T	27.2	Very low	33.4	Very low	127 Å²	127	121.3 Å²	121.3	78%	0.779	76%	0.757	S	S	*	*			cis	-152.4	152.6	-7.5	-62.5	0	0	0	0	108.5
1251	S	30.1	Very low	33.3	Very low	114 Å²	114	121 Å²	121	80%	0.797	76%	0.757	S	S	*	*			trans	-150.4	154.9	169.7	54.1	0	0	0	0	112.4
1252	C	29.5	Very low	33.1	Very low	122 Å²	122	118.9 Å²	118.9	82%	0.824	74%	0.742	S	S	*	*			trans	-90.8	150.8	-171.2	-63.1	0	0	0	0	114.3
1253	P	44.4	Very low	32.6	Very low	118 Å²	118	115.7 Å²	115.7	77%	0.766	73%	0.732	S	S	*	*			trans	-76.8	157.3	160.8	36	-35.1	0	0	0	110.8
1254	P	35.4	Very low	32.6	Very low	124 Å²	124	115.1 Å²	115.1	81%	0.805	73%	0.731	S	S	*	*				-142.8	170.4	100	36	-20.3	0	0	0	114.6
1255	P	30.3	Very low	32.2	Very low	113 Å²	113	114 Å²	114	73%	0.734	73%	0.729	S	S	*	*			trans	-113.9	175.9	-165.5	42.5	-34	0	0	0	115.4
1256	V	35.2	Very low	32.2	Very low	128 Å²	128	111.4 Å²	111.4	78%	0.776	73%	0.725	S	S	*	*			trans	-56.6	152.3	151.7	-77.2	0	0	0	0	111.1
1257	P	33	Very low	31.8	Very low	118 Å²	118	112.6 Å²	112.6	77%	0.766	73%	0.732	S	S	*	*				-139.9	154.5	108.4	37.9	-27.5	0	0	0	114.7
1258	S	27	Very low	31.6	Very low	104 Å²	104	114.7 Å²	114.7	73%	0.727	74%	0.736	S	S	*	*			trans	-100.7	119.9	168.3	-54.3	0	0	0	0	110.1	P1260	S1258-P1260 WeakPolarHBondContact O-CD 3.22Å
1259	V	34.1	Very low	31.4	Very low	134 Å²	134	116.4 Å²	116.4	81%	0.812	73%	0.732	S	S	*	*			trans	59.9	-140.1	163.3	-148.2	0	0	0	0	112.8
1260	P	39.2	Very low	31.5	Very low	108 Å²	108	115 Å²	115	70%	0.701	73%	0.726	S	S	*	*				-78.2	-161.4	-92.4	-9.1	29.4	0	0	0	114.9	S1258	S1258-P1260 WeakPolarHBondContact O-CD 3.22Å
1261	P	36.2	Very low	31.4	Very low	126 Å²	126	116.2 Å²	116.2	82%	0.818	72%	0.723	S	S	*	*			cis	-139	-158.7	18.8	46.1	-25.7	0	0	0	116.1
1262	V	26.2	Very low	31.5	Very low	76 Å²	76	116.9 Å²	116.9	46%	0.461	72%	0.722	S	S	.	*			trans	-137.8	171.4	179.5	70.3	0	0	0	0	108	S1147	S1147-V1262 VanDerWaalsContact CB-CG2 3.46Å; S1147-V1262 WeakPolarHBondContact OG-CG2 3.4Å
1263	V	27.6	Very low	31.5	Very low	76 Å²	76	115.1 Å²	115.1	46%	0.461	72%	0.715	S	S	.	*			trans	72.8	124.6	-174.6	-156.3	0	0	0	0	116.7	I1146	I1146-V1263 WeakPolarHBondContact O-CA 3.33Å
1264	S	30.1	Very low	31.1	Very low	106 Å²	106	114.6 Å²	114.6	74%	0.741	71%	0.712	S	S	*	*				161.5	143.8	123	-71.9	0	0	0	0	114.7
1265	N	26.5	Very low	30.8	Very low	93 Å²	93	116.6 Å²	116.6	50%	0.497	71%	0.708	S	S	.	*			trans	-97.9	169.6	173.4	-52.4	-62.8	0	0	0	112.1	T1144	T1144-N1265 WeakPolarHBondContact CB-OD1 3.08Å; T1144-N1265 PolarHBondContact O-ND2 3.02Å; T1144-N1265 PolarHBondContact OG1-ND2 2.65Å; T1144-N1265 PolarHBondContact OG1-OD1 3.27Å
1266	G	32.2	Very low	30.7	Very low	70 Å²	70	116.6 Å²	116.6	72%	0.722	70%	0.699	S	S	*	*			trans	127.5	93.4	166.9	0	0	0	0	0	112.5
1267	T	28.2	Very low	30.6	Very low	130 Å²	130	115.8 Å²	115.8	80%	0.798	69%	0.694	S	S	*	*				74.6	90.6	57.4	-50.8	0	0	0	0	114.2
1268	L	32.4	Very low	30.6	Very low	163 Å²	163	115.6 Å²	115.6	85%	0.853	69%	0.693	S	S	*	*			trans	-171.6	144.1	148.9	-81.6	-166.5	0	0	0	107.3
1269	N	27.2	Very low	30.7	Very low	129 Å²	129	116.3 Å²	116.3	69%	0.69	70%	0.698	S	S	*	*			cis	-162.1	172.7	-24.1	-154.4	25	0	0	0	108.9
1270	L	29.6	Very low	30.4	Very low	135 Å²	135	113.7 Å²	113.7	71%	0.707	69%	0.69	S	S	*	*			trans	68.7	140	179.2	-77.9	67.1	0	0	0	115.5
1271	E	26	Very low	29.9	Very low	154 Å²	154	114.7 Å²	114.7	72%	0.72	70%	0.695	S	S	*	*			cis	-160.7	143.7	-16.9	-167.8	119.5	112	0	0	109.1
1272	V	30.7	Very low	29.5	Very low	128 Å²	128	115.1 Å²	115.1	78%	0.776	69%	0.69	S	S	*	*			trans	51.4	115.6	174.2	-125.3	0	0	0	0	117.1
1273	A	29.9	Very low	29.7	Very low	84 Å²	84	119.4 Å²	119.4	69%	0.694	71%	0.705	S	S	*	*			cis	72.1	156.8	37.6	0	0	0	0	0	114.9
1274	P	35.4	Very low	30	Very low	108 Å²	108	122.6 Å²	122.6	70%	0.701	72%	0.719	S	S	*	*				-140.3	-172.2	-51.3	38.9	-22.8	0	0	0	114.2
1275	K	30.4	Very low	30.1	Very low	165 Å²	165	123.9 Å²	123.9	72%	0.717	72%	0.722	S	S	*	*			trans	94.5	116.4	149.3	-75.7	177.4	171.1	-173.7	0	122.6
1276	Q	28.7	Very low	30.4	Very low	114 Å²	114	125.4 Å²	125.4	53%	0.533	73%	0.73	S	S	.	*				87.4	122.7	119.7	-69.9	168.7	-18.2	0	0	122.2	Q1842	Q1276-Q1842 VanDerWaalsContact NE2-NE2 3.15Å
1277	T	31.5	Very low	30.5	Very low	111 Å²	111	127.6 Å²	127.6	68%	0.681	73%	0.73	S	S	*	*			trans	-41.7	166	147.8	39.1	0	0	0	0	114.5
1278	P	34.5	Very low	30.7	Very low	114 Å²	114	128.1 Å²	128.1	74%	0.74	72%	0.723	S	S	*	*			cis	-149.5	166.9	35.3	44.2	-24.3	0	0	0	120.4
1279	S	28.1	Very low	30.8	Very low	119 Å²	119	127.9 Å²	127.9	83%	0.832	72%	0.718	S	S	*	*			trans	38.6	152.8	130.4	-153.7	0	0	0	0	123.7
1280	A	28.7	Very low	31.2	Very low	79 Å²	79	126 Å²	126	65%	0.653	71%	0.714	S	S	*	*			trans	113.3	103.7	138.5	0	0	0	0	0	119.8
1281	T	27.1	Very low	31.5	Very low	129 Å²	129	125 Å²	125	79%	0.791	72%	0.719	S	S	*	*				82.1	92.2	120.2	-51.4	0	0	0	0	121.2
1282	N	29.3	Very low	32	Very low	135 Å²	135	122.6 Å²	122.6	72%	0.722	72%	0.719	S	S	*	*				64.3	150.6	102.5	-143	7.4	0	0	0	122.7
1283	Q	30.6	Very low	32.1	Very low	166 Å²	166	122.7 Å²	122.7	78%	0.776	72%	0.72	S	S	*	*			trans	69.5	121.5	167	-63.8	169	5.2	0	0	116.9
1284	N	33.9	Very low	32.2	Very low	142 Å²	142	123.1 Å²	123.1	76%	0.759	72%	0.724	S	S	*	*			cis	92.3	123.7	34.1	-168.7	74	0	0	0	114.5
1285	V	30.3	Very low	32	Very low	133 Å²	133	123.3 Å²	123.3	81%	0.806	73%	0.728	S	S	*	*			trans	-155.8	152.4	170.4	-177.7	0	0	0	0	107.2
1286	D	33.2	Very low	31.9	Very low	125 Å²	125	121.5 Å²	121.5	67%	0.668	73%	0.73	S	S	*	*			cis	-178.4	-175.9	-44	-151.1	-38.1	0	0	0	106.3
1287	T	33.9	Very low	31.9	Very low	117 Å²	117	120.1 Å²	120.1	72%	0.718	74%	0.739	S	S	*	*			trans	87.7	135.2	167.1	-36.1	0	0	0	0	116.6
1288	Q	32.5	Very low	31.8	Very low	140 Å²	140	120.8 Å²	120.8	65%	0.654	74%	0.743	S	S	*	*			cis	-173.9	174.9	-39.7	-114	177.7	10	0	0	110.7
1289	H	35.9	Very low	31.6	Very low	159 Å²	159	122.7 Å²	122.7	74%	0.736	75%	0.746	S	S	*	*			trans	76.9	143.2	162	-61.3	-52.6	0	0	0	119.4
1290	S	35.7	Very low	31.5	Very low	88 Å²	88	122.9 Å²	122.9	62%	0.615	74%	0.742	S	S	*	*			cis	-168	156.1	-8.4	-98.5	0	0	0	0	113.7
1291	S	36.3	Very low	31.5	Very low	115 Å²	115	123.3 Å²	123.3	80%	0.804	74%	0.74	S	S	*	*			trans	62.6	157.1	153.9	43.7	0	0	0	0	120.2
1292	S	36.3	Very low	31.5	Very low	103 Å²	103	124.9 Å²	124.9	72%	0.72	74%	0.739	S	S	*	*			cis	177	160.8	-14.2	54.2	0	0	0	0	109.5
1293	T	31.9	Very low	31.4	Very low	130 Å²	130	124.5 Å²	124.5	80%	0.798	74%	0.741	S	S	*	*			cis	-176.4	164.7	-17	32.8	0	0	0	0	108.9
1294	A	31.2	Very low	31.5	Very low	94 Å²	94	122.2 Å²	122.2	78%	0.777	74%	0.741	S	S	*	*			trans	72.6	159.9	167.6	0	0	0	0	0	116
1295	S	31.8	Very low	31.1	Very low	111 Å²	111	119.6 Å²	119.6	78%	0.776	74%	0.739	S	S	*	*			cis	-175.3	165.8	-13.4	-104.7	0	0	0	0	108.7
1296	T	28.8	Very low	30.9	Very low	127 Å²	127	119.1 Å²	119.1	78%	0.779	74%	0.736	S	S	*	*			cis	-164.2	165.1	-10.2	-92.8	0	0	0	0	109.3
1297	A	28.1	Very low	30.5	Very low	86 Å²	86	118.7 Å²	118.7	71%	0.711	74%	0.738	S	S	*	*			trans	-57.8	171.2	-179.2	0	0	0	0	0	119.8
1298	T	29	Very low	30.1	Very low	124 Å²	124	121.7 Å²	121.7	76%	0.761	74%	0.744	S	S	*	*				-174.8	128.6	126.1	-74.9	0	0	0	0	113.9
1299	L	30.9	Very low	29.8	Very low	154 Å²	154	120.5 Å²	120.5	81%	0.806	75%	0.746	S	S	*	*			trans	44.7	125.9	160.9	-61.7	167.2	0	0	0	120.7
1300	V	26.8	Very low	29.3	Very low	124 Å²	124	118.7 Å²	118.7	75%	0.752	75%	0.746	S	S	*	*			cis	97.9	143.7	17.8	-173.7	0	0	0	0	115.9
1301	S	28.4	Very low	29	Very low	88 Å²	88	119.5 Å²	119.5	62%	0.615	75%	0.749	S	S	*	*			trans	76	122.6	-177.9	-64.5	0	0	0	0	116.2
1302	E	27.5	Very low	28.5	Very low	162 Å²	162	121.3 Å²	121.3	76%	0.757	75%	0.748	S	S	*	*				69.1	139.7	57	-56.4	160.1	122.1	0	0	111.3
1303	T	27.6	Very low	28	Very low	126 Å²	126	121.2 Å²	121.2	77%	0.773	75%	0.747	S	S	*	*			cis	-151.5	167.3	42.4	33.8	0	0	0	0	113.1
1304	P	31.6	Very low	27.9	Very low	119 Å²	119	121.4 Å²	121.4	77%	0.773	75%	0.748	S	S	*	*			trans	-80.5	171.6	174.2	36.1	-38.5	0	0	0	113
1305	A	26.3	Very low	27.8	Very low	86 Å²	86	122.5 Å²	122.5	71%	0.711	75%	0.747	S	S	*	*				160.7	163.7	107.7	0	0	0	0	0	115.6
1306	T	25.3	Very low	27.7	Very low	124 Å²	124	121.2 Å²	121.2	76%	0.761	74%	0.744	S	S	*	*			trans	73.1	92.6	149.2	-50.5	0	0	0	0	119.7
1307	V	24.3	Very low	27.8	Very low	116 Å²	116	120.5 Å²	120.5	70%	0.703	74%	0.741	S	S	*	*				37.2	117.4	118.5	-176.4	0	0	0	0	117.9
1308	H	27.1	Very low	27.7	Very low	180 Å²	180	122.8 Å²	122.8	83%	0.833	75%	0.746	S	S	*	*				-138.2	114.9	122.6	-135.7	-67.3	0	0	0	112.6
1309	V	24.1	Very low	27.6	Very low	115 Å²	115	126 Å²	126	70%	0.697	75%	0.752	S	S	*	*			trans	-82.3	131.9	164.7	173.1	0	0	0	0	108.1
1310	T	26.3	Very low	27.5	Very low	121 Å²	121	127.1 Å²	127.1	74%	0.742	75%	0.753	S	S	*	*			trans	-160	125.8	148.6	13.5	0	0	0	0	109.8
1311	P	29.8	Very low	28.1	Very low	104 Å²	104	125.5 Å²	125.5	68%	0.675	75%	0.745	S	S	*	*			trans	-89	-178.2	172.7	34.4	-30.3	0	0	0	111.7
1312	I	24.7	Very low	28.1	Very low	153 Å²	153	128.7 Å²	128.7	79%	0.785	75%	0.754	S	S	*	*			trans	142.2	139.5	141.9	-74.2	155	0	0	0	114.6
1313	S	26.4	Very low	28.1	Very low	101 Å²	101	126.5 Å²	126.5	71%	0.706	75%	0.752	S	S	*	*			trans	66.5	98.5	160.9	-72.4	0	0	0	0	121.7
1314	V	29.8	Very low	28.3	Very low	134 Å²	134	128 Å²	128	81%	0.812	75%	0.754	S	S	*	*			trans	-34.9	139.6	131.6	178.8	0	0	0	0	112.3
1315	P	28.5	Very low	28.2	Very low	117 Å²	117	128 Å²	128	76%	0.76	75%	0.747	S	S	*	*				-132.3	129.3	121.6	35.3	-26.6	0	0	0	112.9
1316	A	30.1	Very low	28.5	Very low	85 Å²	85	131.1 Å²	131.1	70%	0.702	75%	0.747	S	S	*	*			trans	-73.1	149.1	144.7	0	0	0	0	0	107.3
1317	P	31.5	Very low	28.8	Very low	112 Å²	112	132.9 Å²	132.9	73%	0.727	75%	0.746	S	S	*	*				-147.9	161.6	78	39.9	-23	0	0	0	116.6
1318	V	26.2	Very low	29	Very low	133 Å²	133	131.7 Å²	131.7	81%	0.806	74%	0.743	S	S	*	*			trans	7.2	111	135.2	-172.4	0	0	0	0	116.5
1319	Q	25.5	Very low	29.1	Very low	193 Å²	193	129.8 Å²	129.8	90%	0.902	74%	0.739	S	S	*	*				-159.3	138.8	109.2	-131.7	156.7	-9.4	0	0	115.1
1320	E	30.8	Very low	29.2	Very low	176 Å²	176	130.8 Å²	130.8	82%	0.822	75%	0.745	S	S	*	*			trans	-66.8	-175.6	168.5	-97.1	-171.1	166.9	0	0	114.4
1321	P	39	Very low	29.4	Very low	90 Å²	90	131.5 Å²	131.5	58%	0.584	74%	0.743	S	S	*	*			cis	-140.9	-174.7	-28.7	33.2	-12.6	0	0	0	114.2
1322	L	27.3	Very low	29.3	Very low	155 Å²	155	132 Å²	132	81%	0.812	75%	0.745	S	S	*	*			trans	143.8	107	134.6	-75.7	169.1	0	0	0	110.1
1323	V	28.8	Very low	29.5	Very low	117 Å²	117	133.5 Å²	133.5	71%	0.709	75%	0.749	S	S	*	*				84.4	118.3	51.1	176.6	0	0	0	0	114
1324	I	30.1	Very low	29.6	Very low	158 Å²	158	134.8 Å²	134.8	81%	0.81	75%	0.747	S	S	*	*			trans	173.8	130.3	134.8	-85.1	153.7	0	0	0	105
1325	D	31	Very low	29.6	Very low	119 Å²	119	133 Å²	133	64%	0.636	73%	0.733	S	S	*	*			cis	-135.5	174.6	1.4	-149.1	-15.5	0	0	0	111.5
1326	H	31.4	Very low	29.7	Very low	151 Å²	151	132.9 Å²	132.9	70%	0.699	73%	0.734	S	S	*	*			trans	-117.2	148.1	179.6	-97.8	2.4	0	0	0	112.7
1327	H	31.9	Very low	29.8	Very low	161 Å²	161	137.1 Å²	137.1	75%	0.745	74%	0.74	S	S	*	*			trans	-153.4	92.1	147	-108.7	-71.1	0	0	0	111.2
1328	S	28.7	Very low	29.8	Very low	91 Å²	91	138.3 Å²	138.3	64%	0.636	74%	0.739	S	S	*	*			trans	-140.8	95.4	177.7	57.5	0	0	0	0	109.9
1329	D	28.4	Very low	29.9	Very low	140 Å²	140	142.1 Å²	142.1	75%	0.749	74%	0.739	S	S	*	*			trans	-149	34.3	-169.4	-130.5	-11.5	0	0	0	115.1
1330	V	27.9	Very low	30	Very low	136 Å²	136	142.6 Å²	142.6	82%	0.824	74%	0.738	S	S	*	*	S	Bend	trans	-143.1	81.8	160.2	-171.8	0	0	0	0	110.2
1331	L	28.8	Very low	29.8	Very low	135 Å²	135	140.3 Å²	140.3	71%	0.707	74%	0.74	S	S	*	*	S	Bend	trans	177.2	-6.2	146.3	-100.9	165.8	0	0	0	114.1	Q1333 L1334	L1331-Q1333 PolarHBondContact O-N 2.9Å; L1331-Q1333 VanDerWaalsContact O-N 3.15Å; L1331-L1334 HydrophobicContact CD2-CB 4.49Å; L1331-L1334 PolarHBondContact O-N 2.87Å
1332	T	29.4	Very low	29.2	Very low	115 Å²	115	145.3 Å²	145.3	71%	0.706	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	16.2	172.3	39	0	0	0	0	114.5
1333	Q	28.3	Very low	29.1	Very low	185 Å²	185	146.5 Å²	146.5	86%	0.864	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113	21.1	171.1	-167	68.6	52.9	0	0	111.3	L1331	L1331-Q1333 PolarHBondContact O-N 2.9Å; L1331-Q1333 VanDerWaalsContact O-N 3.15Å
1334	L	29.2	Very low	28.9	Very low	128 Å²	128	147.8 Å²	147.8	67%	0.67	76%	0.762	S	S	*	*	S	Bend	trans	-145.2	6.7	-177.7	-115.6	161.9	0	0	0	117.3	L1331	L1331-L1334 HydrophobicContact CD2-CB 4.49Å; L1331-L1334 PolarHBondContact O-N 2.87Å
1335	D	29.4	Very low	28.8	Very low	96 Å²	96	145.9 Å²	145.9	51%	0.513	76%	0.763	S	S	.	*	S	Bend	trans	-120.5	10.7	170.4	-159	30.2	0	0	0	114.1
1336	S	29.9	Very low	28.7	Very low	114 Å²	114	143.4 Å²	143.4	80%	0.797	77%	0.765	S	S	*	*	S	Bend	trans	-86.7	-4.3	171.4	-60.1	0	0	0	0	113.6
1337	E	33.1	Very low	28.6	Very low	174 Å²	174	141.4 Å²	141.4	81%	0.813	76%	0.764	S	S	*	*	S	Bend	trans	-102.9	-15.9	-179.8	-86.8	-77.4	124.6	0	0	113.7
1338	L	31.5	Very low	28.8	Very low	138 Å²	138	138.9 Å²	138.9	72%	0.723	76%	0.764	S	S	*	*	S	Bend	trans	-111.2	-6	-168.4	-86	167.7	0	0	0	116.5
1339	R	27.7	Very low	28.9	Very low	213 Å²	213	142.2 Å²	142.2	80%	0.804	77%	0.769	S	S	*	*	S	Bend	trans	-117.7	40.1	176.6	-63.2	-163.8	-173.4	-143.2	1.8	115.1
1340	K	28.5	Very low	28.7	Very low	203 Å²	203	141.3 Å²	141.3	88%	0.883	77%	0.774	S	S	*	*	S	Bend	trans	-142.2	29.6	162.6	-124.2	169.1	-171.8	172.8	0	116.6
1341	C	26.3	Very low	28.5	Very low	128 Å²	128	139.6 Å²	139.6	87%	0.865	77%	0.774	S	S	*	*			trans	-121.5	50.6	167.1	-79.1	0	0	0	0	112.2
1342	F	25.5	Very low	28.6	Very low	195 Å²	195	138.3 Å²	138.3	86%	0.855	78%	0.776	S	S	*	*			trans	-110.2	142	164.6	-119.7	-93.6	0	0	0	109.1
1343	Q	24.9	Very low	28.9	Very low	179 Å²	179	138.4 Å²	138.4	84%	0.836	78%	0.779	S	S	*	*			trans	61.1	91.9	176.1	-54.6	-176.1	8.2	0	0	117.9
1344	V	25.9	Very low	28.9	Very low	144 Å²	144	134.1 Å²	134.1	87%	0.873	77%	0.769	S	S	*	*				-139.3	123	129.2	-178.1	0	0	0	0	108.7	G1346	V1344-G1346 PolarHBondContact O-N 2.91Å
1345	S	26.9	Very low	28.8	Very low	119 Å²	119	133.5 Å²	133.5	83%	0.832	77%	0.771	S	S	*	*			trans	-91.3	83.4	180	-67.2	0	0	0	0	112.9
1346	G	29.1	Very low	28.7	Very low	66 Å²	66	134.8 Å²	134.8	68%	0.68	78%	0.782	S	S	*	*			trans	63.5	-152	155	0	0	0	0	0	118.6	V1344	V1344-G1346 PolarHBondContact O-N 2.91Å
1347	V	29	Very low	28.6	Very low	110 Å²	110	134.7 Å²	134.7	67%	0.667	78%	0.776	S	S	*	*			trans	73.9	85.7	172	-167.1	0	0	0	0	117.6	H1349	V1347-H1349 PolarHBondContact O-CD2 2.9Å; V1347-H1349 VanDerWaalsContact O-CD2 3.28Å
1348	S	36.4	Very low	28.3	Very low	107 Å²	107	134.2 Å²	134.2	75%	0.748	77%	0.774	S	S	*	*				71.2	-172.7	124.9	-55	0	0	0	0	121.4
1349	H	30.8	Very low	28.3	Very low	162 Å²	162	132.1 Å²	132.1	75%	0.75	77%	0.771	S	S	*	*			trans	95.5	111	160.2	-53.1	-75.1	0	0	0	119.7	V1347	V1347-H1349 PolarHBondContact O-CD2 2.9Å; V1347-H1349 VanDerWaalsContact O-CD2 3.28Å
1350	S	24.1	Very low	28.3	Very low	121 Å²	121	128.8 Å²	128.8	85%	0.846	77%	0.768	S	S	*	*			trans	-150.6	70	137.8	73.5	0	0	0	0	111.5
1351	A	24.7	Very low	28.5	Very low	99 Å²	99	123.7 Å²	123.7	82%	0.818	75%	0.754	S	S	*	*	S	Bend	trans	-139.8	81.2	163.6	0	0	0	0	0	108.1
1352	S	29.9	Very low	28.6	Very low	109 Å²	109	122.2 Å²	122.2	76%	0.762	75%	0.746	S	S	*	*			trans	-67	-178.6	-179.7	-30.3	0	0	0	0	112.7
1353	P	36.2	Very low	28.8	Very low	117 Å²	117	117.7 Å²	117.7	76%	0.76	73%	0.728	S	S	*	*			cis	-119	-160	-7.5	36.2	-15.5	0	0	0	110.1
1354	S	28.6	Very low	29.1	Very low	94 Å²	94	112 Å²	112	66%	0.657	71%	0.706	S	S	*	*			cis	174.4	161.4	31.4	-133.3	0	0	0	0	106.1
1355	T	27.5	Very low	29.6	Very low	116 Å²	116	109 Å²	109	71%	0.712	69%	0.689	S	S	*	*			cis	-169.7	160.6	-17.8	9.8	0	0	0	0	107.8
1356	V	26.3	Very low	29.8	Very low	123 Å²	123	108.6 Å²	108.6	75%	0.745	67%	0.674	S	S	*	*			trans	71.9	116.8	160.1	164.7	0	0	0	0	115.3
1357	V	27.7	Very low	29.7	Very low	111 Å²	111	110 Å²	110	67%	0.673	67%	0.669	S	S	*	*				76.4	133.8	57	175.1	0	0	0	0	109.9
1358	E	27.2	Very low	29.6	Very low	165 Å²	165	112.2 Å²	112.2	77%	0.771	68%	0.676	S	S	*	*			cis	-153.8	145.9	38.6	-140.8	131.2	-145	0	0	112
1359	S	30.5	Very low	29.6	Very low	93 Å²	93	112.2 Å²	112.2	65%	0.65	67%	0.674	S	S	*	*				55.4	160.6	118.9	-64.8	0	0	0	0	124.1
1360	L	28.8	Very low	29.4	Very low	144 Å²	144	112 Å²	112	75%	0.754	68%	0.677	S	S	*	*			cis	-159.3	158.7	-5.6	-112.6	162.3	0	0	0	111
1361	T	31.5	Very low	29.5	Very low	95 Å²	95	110.1 Å²	110.1	58%	0.583	67%	0.669	S	S	*	*			trans	-2.4	148.8	157.8	54.7	0	0	0	0	121.4	M1363	T1361-M1363 HydrophobicContact CG2-CE 4.1Å
1362	S	30	Very low	29.5	Very low	98 Å²	98	111 Å²	111	69%	0.685	67%	0.667	S	S	*	*				163	174.2	84.1	47.4	0	0	0	0	112.4
1363	M	29.7	Very low	29.3	Very low	99 Å²	99	114 Å²	114	49%	0.488	67%	0.669	S	S	.	*			cis	-164.1	143.7	-40.7	-91.6	-42	-177.4	0	0	112.7	T1361	T1361-M1363 HydrophobicContact CG2-CE 4.1Å
1364	T	31.1	Very low	28.8	Very low	61 Å²	61	113.4 Å²	113.4	37%	0.374	66%	0.664	S	S	.	*			trans	59	-175.9	144.7	65.1	0	0	0	0	120.8	D882	D882-T1364 WeakPolarHBondContact OD1-CB 3.21Å; D882-T1364 PolarHBondContact OD1-OG1 2.94Å; D882-T1364 PolarHBondContact OD2-OG1 3.07Å
1365	P	35.8	Very low	28.7	Very low	79 Å²	79	114.9 Å²	114.9	51%	0.513	67%	0.669	S	S	.	*				-143.7	-171.7	-89.6	46.1	-27.5	0	0	0	119.1	T881	T881-P1365 HydrophobicContact CG2-CG 3.59Å
1366	Q	30.6	Very low	29.2	Very low	111 Å²	111	114.7 Å²	114.7	52%	0.519	67%	0.67	S	S	.	*			trans	92.4	117.4	138.5	-84.7	-140.1	4.4	0	0	127.3	S880 T881	S880-Q1366 VanDerWaalsContact OG-CD 3.23Å; S880-Q1366 PolarHBondContact OG-NE2 3.43Å; S880-Q1366 PolarHBondContact OG-OE1 3.49Å; T881-Q1366 HydrophobicContact CG2-CG 3.94Å
1367	T	27.4	Very low	29.2	Very low	95 Å²	95	113.1 Å²	113.1	58%	0.583	67%	0.67	S	S	*	*				95.8	152	114.9	-52.8	0	0	0	0	125.2
1368	I	27.7	Very low	29.2	Very low	158 Å²	158	112.4 Å²	112.4	81%	0.81	67%	0.669	S	S	*	*			trans	81.3	151.4	161	43.8	-179.2	0	0	0	123.1
1369	P	36	Very low	29.2	Very low	107 Å²	107	111.6 Å²	111.6	70%	0.695	67%	0.669	S	S	*	*			trans	-137.3	-138.5	-150	39.8	-14.5	0	0	0	115.8
1370	L	26.7	Very low	29	Very low	158 Å²	158	110.3 Å²	110.3	83%	0.827	67%	0.671	S	S	*	*			trans	84.4	153.6	-178	-76.4	72.9	0	0	0	116.1
1371	A	25.3	Very low	29	Very low	81 Å²	81	112.7 Å²	112.7	67%	0.669	68%	0.678	S	S	*	*			cis	-172.6	169.9	-23.9	0	0	0	0	0	112.4
1372	C	25.3	Very low	28.7	Very low	116 Å²	116	112.4 Å²	112.4	78%	0.784	69%	0.685	S	S	*	*			trans	79.2	126.7	150.4	-71.2	0	0	0	0	124.2
1373	Q	25.5	Very low	28.9	Very low	172 Å²	172	113.8 Å²	113.8	80%	0.804	69%	0.691	S	S	*	*				103.9	125.5	123.8	-90.6	-168.5	39.7	0	0	124.5
1374	T	25.7	Very low	28.8	Very low	105 Å²	105	113.5 Å²	113.5	64%	0.644	71%	0.705	S	S	*	*			trans	82.4	93.9	133.1	-56.3	0	0	0	0	119.2
1375	V	26.7	Very low	28.6	Very low	126 Å²	126	116.7 Å²	116.7	76%	0.764	72%	0.724	S	S	*	*				39.6	153.7	88.4	-81.5	0	0	0	0	118.5
1376	P	36.7	Very low	28.1	Very low	112 Å²	112	119.9 Å²	119.9	73%	0.727	74%	0.735	S	S	*	*			cis	-141.1	-166.8	-25.4	36.6	-15.8	0	0	0	114.8
1377	A	27	Very low	27.9	Very low	90 Å²	90	118.8 Å²	118.8	74%	0.744	75%	0.746	S	S	*	*			trans	79.6	156.5	145.2	0	0	0	0	0	118.7
1378	S	27.9	Very low	27.8	Very low	96 Å²	96	119 Å²	119	67%	0.671	76%	0.757	S	S	*	*			cis	-162	166.5	-1.4	-132.8	0	0	0	0	112.6
1379	I	26.9	Very low	27.7	Very low	147 Å²	147	115.2 Å²	115.2	75%	0.754	75%	0.749	S	S	*	*			trans	48	120.9	145.4	-62	159.3	0	0	0	117.3
1380	G	27	Very low	27.3	Very low	67 Å²	67	119.1 Å²	119.1	69%	0.691	76%	0.758	S	S	*	*			cis	98.7	97.7	9.9	0	0	0	0	0	113.2
1381	Q	27.6	Very low	27.3	Very low	194 Å²	194	115.5 Å²	115.5	91%	0.907	75%	0.751	S	S	*	*			trans	-158.7	139.5	161.6	-119	165.2	30.5	0	0	113
1382	A	27	Very low	27.4	Very low	89 Å²	89	116.4 Å²	116.4	74%	0.736	76%	0.758	S	S	*	*			trans	-95	-165.7	167.8	0	0	0	0	0	108.1
1383	P	33.8	Very low	27.5	Very low	126 Å²	126	116 Å²	116	82%	0.818	76%	0.756	S	S	*	*			cis	-136.5	-172.1	9.9	43.1	-23.6	0	0	0	116
1384	A	26.3	Very low	27.6	Very low	93 Å²	93	115.1 Å²	115.1	77%	0.769	76%	0.756	S	S	*	*			trans	-61.4	168.2	173.5	0	0	0	0	0	115
1385	V	27.1	Very low	27.8	Very low	128 Å²	128	117.3 Å²	117.3	78%	0.776	76%	0.763	S	S	*	*			trans	-151.6	128.6	149	126.8	0	0	0	0	110
1386	I	27	Very low	28.2	Very low	146 Å²	146	116 Å²	116	75%	0.749	76%	0.757	S	S	*	*			trans	40	107.1	148.2	-53.3	169.1	0	0	0	116.4
1387	A	25.3	Very low	27.8	Very low	89 Å²	89	118 Å²	118	74%	0.736	76%	0.761	S	S	*	*				73.3	154.3	51.2	0	0	0	0	0	115
1388	A	25.8	Very low	28	Very low	99 Å²	99	117.5 Å²	117.5	82%	0.818	76%	0.758	S	S	*	*			trans	66.7	146.5	-178.9	0	0	0	0	0	115.7
1389	A	26.4	Very low	28.2	Very low	79 Å²	79	118.5 Å²	118.5	65%	0.653	76%	0.764	S	S	*	*			cis	-162.9	169.6	-9.3	0	0	0	0	0	111.5
1390	H	26.6	Very low	28.6	Very low	188 Å²	188	116.9 Å²	116.9	87%	0.87	76%	0.761	S	S	*	*			trans	10.4	147.5	139.7	-61.1	-108.2	0	0	0	119.7
1391	A	26.9	Very low	28.9	Very low	83 Å²	83	119.4 Å²	119.4	69%	0.686	77%	0.766	S	S	*	*			cis	-177.7	179.2	-9.5	0	0	0	0	0	108.5
1392	A	27.6	Very low	29	Very low	100 Å²	100	118.1 Å²	118.1	83%	0.826	76%	0.759	S	S	*	*			trans	66.7	157.2	156	0	0	0	0	0	118.1
1393	S	26.3	Very low	29.2	Very low	106 Å²	106	118.3 Å²	118.3	74%	0.741	76%	0.756	S	S	*	*			cis	-167.1	-173.9	-26.5	-170.8	0	0	0	0	108.7
1394	L	28.2	Very low	29.6	Very low	154 Å²	154	117.8 Å²	117.8	81%	0.806	75%	0.752	S	S	*	*			trans	74.9	80.9	157.5	-65.5	156.2	0	0	0	119.6
1395	I	29.3	Very low	30	Very low	151 Å²	151	119 Å²	119	77%	0.774	76%	0.755	S	S	*	*				-23.7	152.5	119.9	12.8	173.5	0	0	0	113.9
1396	P	36.2	Very low	30.2	Very low	99 Å²	99	123 Å²	123	64%	0.643	76%	0.756	S	S	*	*				-157.6	-180	58.9	44.3	-23.7	0	0	0	119.7
1397	N	28.8	Very low	30.6	Very low	153 Å²	153	122.9 Å²	122.9	82%	0.818	76%	0.756	S	S	*	*			trans	70.3	149.8	150.5	-69.3	-15.3	0	0	0	120.4
1398	A	30	Very low	31	Very low	81 Å²	81	124.9 Å²	124.9	67%	0.669	75%	0.754	S	S	*	*			cis	-166.2	157.2	-19.2	0	0	0	0	0	107.2
1399	S	31.7	Very low	31.2	Very low	116 Å²	116	124.6 Å²	124.6	81%	0.811	75%	0.752	S	S	*	*				-167.7	161.4	54	-55.6	0	0	0	0	112
1400	V	35.7	Very low	31.4	Very low	114 Å²	114	130 Å²	130	69%	0.691	76%	0.764	S	S	*	*			trans	-135.8	145.5	-177.4	-179	0	0	0	0	111.1	Q1402	V1400-Q1402 HydrophobicContact CG1-CB 4.23Å; V1400-Q1402 HydrophobicContact CG1-CG 3.9Å
1401	P	33.3	Very low	31.8	Very low	120 Å²	120	128.4 Å²	128.4	78%	0.779	77%	0.768	S	S	*	*			trans	-135.4	134.2	132.4	32.5	-18.7	0	0	0	110.9
1402	Q	30.2	Very low	32.2	Very low	166 Å²	166	127.6 Å²	127.6	78%	0.776	77%	0.767	S	S	*	*			cis	59	136.9	29	-76.5	-159.3	24.5	0	0	115.1	V1400	V1400-Q1402 HydrophobicContact CG1-CB 4.23Å; V1400-Q1402 HydrophobicContact CG1-CG 3.9Å
1403	S	31.7	Very low	32.8	Very low	94 Å²	94	130 Å²	130	66%	0.657	77%	0.765	S	S	*	*			cis	-160.7	-133.8	-6.7	41.7	0	0	0	0	111.8
1404	P	41.3	Very low	33.4	Very low	115 Å²	115	129.4 Å²	129.4	75%	0.747	77%	0.767	S	S	*	*				-134.5	175.1	-105.1	41.6	-23.9	0	0	0	117
1405	S	34.2	Very low	34	Very low	118 Å²	118	123.6 Å²	123.6	83%	0.825	74%	0.744	S	S	*	*			trans	176.9	146.3	147.7	52.7	0	0	0	0	112.5
1406	R	31.8	Very low	34.8	Very low	213 Å²	213	121 Å²	121	80%	0.804	73%	0.731	S	S	*	*			cis	-172.4	166.9	-17.4	-172.6	173.6	175.3	175.2	0.6	108.9
1407	L	35.3	Very low	35.3	Very low	143 Å²	143	122.5 Å²	122.5	75%	0.749	73%	0.729	S	S	*	*			trans	86	93.7	172.2	-52.1	174.2	0	0	0	113.7
1408	D	32.9	Very low	36.6	Very low	130 Å²	130	122 Å²	122	70%	0.695	72%	0.722	S	S	*	*				86.7	126.4	50.9	-60.2	-42.4	0	0	0	112.4
1409	A	30.3	Very low	37.7	Very low	93 Å²	93	125.2 Å²	125.2	77%	0.769	72%	0.721	S	S	*	*			cis	-161	132.5	-7.5	0	0	0	0	0	112.6
1410	E	31.5	Very low	38.8	Very low	192 Å²	192	125 Å²	125	90%	0.897	71%	0.71	S	S	*	*			trans	-164.1	109	161.2	-144.2	178.1	-143	0	0	111.2
1411	T	35.1	Very low	39.9	Very low	156 Å²	156	124.2 Å²	124.2	96%	0.957	70%	0.699	S	S	*	*			trans	169.8	160.2	162.7	19.7	0	0	0	0	109.9
1412	G	34.8	Very low	41.3	Very low	65 Å²	65	121 Å²	121	67%	0.67	68%	0.683	S	S	*	*			trans	130.7	11.6	157.3	0	0	0	0	0	120.8	A1414	G1412-A1414 PolarHBondContact O-N 3.14Å; G1412-A1414 VanDerWaalsContact O-N 3.07Å
1413	L	41.2	Very low	42.7	Very low	152 Å²	152	119 Å²	119	80%	0.796	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-0.2	174.6	-86.5	174.2	0	0	0	115	G1415 L1416	L1413-G1415 VanDerWaalsContact C-N 3.32Å; L1413-G1415 PolarHBondContact O-N 2.65Å; L1413-L1416 HydrophobicContact CD2-CD1 3.9Å
1414	A	37.8	Very low	44.4	Very low	93 Å²	93	121 Å²	121	77%	0.769	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-16.9	177.9	0	0	0	0	0	114.6	G1412	G1412-A1414 PolarHBondContact O-N 3.14Å; G1412-A1414 VanDerWaalsContact O-N 3.07Å
1415	G	40.3	Very low	45.3	Very low	32 Å²	32	121.7 Å²	121.7	33%	0.33	67%	0.669	S	S	.	*	H	α-helix	trans	-89.3	2.8	179.8	0	0	0	0	0	115.4	L1413 K1419	L1413-G1415 VanDerWaalsContact C-N 3.32Å; L1413-G1415 PolarHBondContact O-N 2.65Å; G1415-K1419 WeakPolarHBondContact O-CB 3.4Å; G1415-K1419 WeakPolarHBondContact O-CG 3.26Å; G1415-K1419 PolarHBondContact O-N 3.06Å
1416	L	47.3	Very low	46.6	Very low	96 Å²	96	119 Å²	119	50%	0.503	64%	0.643	S	S	.	*	H	α-helix	trans	-87.9	-30.7	-175.2	-125.5	172.1	0	0	0	113	L1413 L1420	L1413-L1416 HydrophobicContact CD2-CD1 3.9Å; L1416-L1420 HydrophobicContact CD2-CD1 3.87Å; L1416-L1420 WeakPolarHBondContact O-CB 3.2Å; L1416-L1420 PolarHBondContact O-N 2.67Å
1417	H	47.2	Very low	47.9	Very low	130 Å²	130	114.3 Å²	114.3	60%	0.602	63%	0.63	S	S	*	*	H	α-helix	trans	-67.4	-50.4	171.3	-164.9	-80.9	0	0	0	110.4	K1419 L1420 E1421	H1417-K1419 VanDerWaalsContact C-N 3.25Å; H1417-K1419 PolarHBondContact O-N 2.89Å; H1417-L1420 CarbonylContact O-C 3.6Å; H1417-L1420 WeakPolarHBondContact O-CA 3.36Å; H1417-L1420 WeakPolarHBondContact O-CB 3.26Å; H1417-L1420 PolarHBondContact O-N 3.45Å; H1417-E1421 IonicContact CE1-OE1 2.67Å; H1417-E1421 PolarHBondContact CE1-OE1 2.88Å; H1417-E1421 IonicContact CE1-OE2 2.66Å; H1417-E1421 PolarHBondContact CE1-OE2 2.9Å; H1417-E1421 VanDerWaalsContact CE1-OE2 3.27Å; H1417-E1421 IonicContact CG-OE2 3.67Å; H1417-E1421 IonicContact ND1-OE1 3.95Å; H1417-E1421 IonicContact ND1-OE2 3.99Å; H1417-E1421 PolarHBondContact ND1-OE2 2.97Å; H1417-E1421 PolarHBondContact O-N 3.02Å
1418	E	54.2	Low	48.6	Very low	143 Å²	143	112.1 Å²	112.1	67%	0.668	62%	0.619	S	S	*	*	H	α-helix	trans	-60.6	-32.7	177	-170.4	178.8	-156.6	0	0	112.3	A1422	E1418-A1422 WeakPolarHBondContact O-CB 3.46Å; E1418-A1422 PolarHBondContact O-N 2.89Å
1419	K	53.7	Low	49.2	Very low	149 Å²	149	113.8 Å²	113.8	65%	0.648	62%	0.616	S	S	*	*	H	α-helix	trans	-76.6	-28.9	170.5	-80	-173.9	174.3	-174.9	0	114.4	G1415 H1417 L1423	G1415-K1419 WeakPolarHBondContact O-CB 3.4Å; G1415-K1419 WeakPolarHBondContact O-CG 3.26Å; G1415-K1419 PolarHBondContact O-N 3.06Å; H1417-K1419 VanDerWaalsContact C-N 3.25Å; H1417-K1419 PolarHBondContact O-N 2.89Å; K1419-L1423 VanDerWaalsContact O-CB 3.25Å; K1419-L1423 WeakPolarHBondContact O-CB 3.18Å; K1419-L1423 VanDerWaalsContact O-CG 3.28Å; K1419-L1423 WeakPolarHBondContact O-CG 3.38Å; K1419-L1423 PolarHBondContact O-N 2.92Å
1420	L	56	Low	50.2	Low	112 Å²	112	117.8 Å²	117.8	59%	0.586	61%	0.611	S	S	*	*	H	α-helix	trans	-68.3	-41.2	168.8	-115.7	74.2	0	0	0	110.7	L1416 H1417 L1423 K1424	L1416-L1420 HydrophobicContact CD2-CD1 3.87Å; L1416-L1420 WeakPolarHBondContact O-CB 3.2Å; L1416-L1420 PolarHBondContact O-N 2.67Å; H1417-L1420 CarbonylContact O-C 3.6Å; H1417-L1420 WeakPolarHBondContact O-CA 3.36Å; H1417-L1420 WeakPolarHBondContact O-CB 3.26Å; H1417-L1420 PolarHBondContact O-N 3.45Å; L1420-L1423 PolarHBondContact O-N 3.47Å; L1420-K1424 WeakPolarHBondContact O-CB 3.16Å; L1420-K1424 PolarHBondContact O-N 3.02Å
1421	E	58.2	Low	51	Low	96 Å²	96	115.2 Å²	115.2	45%	0.449	60%	0.599	S	S	.	*	H	α-helix	trans	-69.1	-38.2	175.4	-73.6	175.9	125.5	0	0	111.9	H1417 K1424 M1425	H1417-E1421 IonicContact CE1-OE1 2.67Å; H1417-E1421 PolarHBondContact CE1-OE1 2.88Å; H1417-E1421 IonicContact CE1-OE2 2.66Å; H1417-E1421 PolarHBondContact CE1-OE2 2.9Å; H1417-E1421 VanDerWaalsContact CE1-OE2 3.27Å; H1417-E1421 IonicContact CG-OE2 3.67Å; H1417-E1421 IonicContact ND1-OE1 3.95Å; H1417-E1421 IonicContact ND1-OE2 3.99Å; H1417-E1421 PolarHBondContact ND1-OE2 2.97Å; H1417-E1421 PolarHBondContact O-N 3.02Å; E1421-K1424 PolarHBondContact O-N 3.2Å; E1421-M1425 WeakPolarHBondContact O-CB 3.38Å; E1421-M1425 VanDerWaalsContact O-CG 3.31Å; E1421-M1425 WeakPolarHBondContact O-CG 3.49Å; E1421-M1425 PolarHBondContact O-N 3.28Å
1422	A	62.4	Low	51.4	Low	54 Å²	54	114.6 Å²	114.6	45%	0.446	59%	0.59	S	S	.	*	H	α-helix	trans	-69.7	-36.7	173.8	0	0	0	0	0	112.7	E1418 E1426	E1418-A1422 WeakPolarHBondContact O-CB 3.46Å; E1418-A1422 PolarHBondContact O-N 2.89Å; A1422-E1426 VanDerWaalsContact O-CB 3.32Å; A1422-E1426 WeakPolarHBondContact O-CB 3.39Å; A1422-E1426 PolarHBondContact O-N 3.19Å
1423	L	58.9	Low	51.8	Low	124 Å²	124	120.8 Å²	120.8	65%	0.649	60%	0.603	S	S	*	*	H	α-helix	trans	-68.9	-36.8	171.3	-79.5	167.1	0	0	0	111.6	K1419 L1420 E1426 Q1427	K1419-L1423 VanDerWaalsContact O-CB 3.25Å; K1419-L1423 WeakPolarHBondContact O-CB 3.18Å; K1419-L1423 VanDerWaalsContact O-CG 3.28Å; K1419-L1423 WeakPolarHBondContact O-CG 3.38Å; K1419-L1423 PolarHBondContact O-N 2.92Å; L1420-L1423 PolarHBondContact O-N 3.47Å; L1423-E1426 PolarHBondContact O-N 3.5Å; L1423-Q1427 WeakPolarHBondContact O-CB 3.23Å; L1423-Q1427 PolarHBondContact O-N 3.39Å
1424	K	69	Low	51.6	Low	134 Å²	134	116 Å²	116	58%	0.583	59%	0.591	S	S	*	*	H	α-helix	trans	-67.7	-44.3	174.8	-172.3	169.8	-178.5	177.6	0	111.4	L1420 E1421 E1426 Q1427 D1428	L1420-K1424 WeakPolarHBondContact O-CB 3.16Å; L1420-K1424 PolarHBondContact O-N 3.02Å; E1421-K1424 PolarHBondContact O-N 3.2Å; K1424-E1426 PolarHBondContact O-N 3Å; K1424-Q1427 CarbonylContact O-C 3.54Å; K1424-Q1427 PolarHBondContact O-N 3.27Å; K1424-Q1427 VanDerWaalsContact O-N 3.17Å; K1424-D1428 WeakPolarHBondContact O-CB 3.25Å; K1424-D1428 PolarHBondContact O-N 3.46Å
1425	M	60	Low	51.6	Low	131 Å²	131	118 Å²	118	65%	0.645	59%	0.589	S	S	*	*	H	α-helix	trans	-64	-38.1	173.3	-75.2	-173.8	-174.8	0	0	112.5	E1421 Q1427 R1429	E1421-M1425 WeakPolarHBondContact O-CB 3.38Å; E1421-M1425 VanDerWaalsContact O-CG 3.31Å; E1421-M1425 WeakPolarHBondContact O-CG 3.49Å; E1421-M1425 PolarHBondContact O-N 3.28Å; M1425-Q1427 VanDerWaalsContact C-N 3.29Å; M1425-R1429 WeakPolarHBondContact O-CB 3.31Å; M1425-R1429 PolarHBondContact O-N 3.46Å
1426	E	61.3	Low	51.4	Low	61 Å²	61	122.4 Å²	122.4	29%	0.285	61%	0.605	S	S	.	*	H	α-helix	trans	-76.9	-15	175.5	-179.5	57.4	-165.9	0	0	112.8	A1422 L1423 K1424 R1429 R1430	A1422-E1426 VanDerWaalsContact O-CB 3.32Å; A1422-E1426 WeakPolarHBondContact O-CB 3.39Å; A1422-E1426 PolarHBondContact O-N 3.19Å; L1423-E1426 PolarHBondContact O-N 3.5Å; K1424-E1426 PolarHBondContact O-N 3Å; E1426-R1429 IonicContact OE1-NH2 3.09Å; E1426-R1429 PolarHBondContact OE1-NH2 3.38Å; E1426-R1429 VanDerWaalsContact OE1-NH2 3.09Å; E1426-R1429 IonicContact OE2-CZ 3.32Å; E1426-R1429 VanDerWaalsContact OE2-CZ 3.32Å; E1426-R1429 IonicContact OE2-NE 2.82Å; E1426-R1429 PolarHBondContact OE2-NE 3.07Å; E1426-R1429 IonicContact OE2-NH2 2.95Å; E1426-R1429 PolarHBondContact OE2-NH2 3.48Å; E1426-R1430 VanDerWaalsContact O-CD 3.24Å; E1426-R1430 WeakPolarHBondContact O-CD 3.49Å; E1426-R1430 WeakPolarHBondContact O-CG 3.34Å; E1426-R1430 PolarHBondContact O-NE 2.85Å; E1426-R1430 IonicContact OE1-CZ 3.22Å; E1426-R1430 IonicContact OE1-NE 2.83Å; E1426-R1430 PolarHBondContact OE1-NE 2.88Å; E1426-R1430 IonicContact OE1-NH2 2.88Å; E1426-R1430 PolarHBondContact OE1-NH2 3.01Å
1427	Q	57.6	Low	50.9	Low	114 Å²	114	120.3 Å²	120.3	53%	0.533	60%	0.601	S	S	.	*	H	α-helix	trans	-81.2	-50.8	165.5	-176	171.7	-12.5	0	0	111	L1423 K1424 M1425 R1429 R1430 E1431	L1423-Q1427 WeakPolarHBondContact O-CB 3.23Å; L1423-Q1427 PolarHBondContact O-N 3.39Å; K1424-Q1427 CarbonylContact O-C 3.54Å; K1424-Q1427 PolarHBondContact O-N 3.27Å; K1424-Q1427 VanDerWaalsContact O-N 3.17Å; M1425-Q1427 VanDerWaalsContact C-N 3.29Å; Q1427-R1429 PolarHBondContact O-N 2.62Å; Q1427-R1429 VanDerWaalsContact O-N 3.12Å; Q1427-R1430 PolarHBondContact O-N 2.97Å; Q1427-E1431 WeakPolarHBondContact CG-OE1 3.44Å; Q1427-E1431 PolarHBondContact NE2-OE1 3.05Å; Q1427-E1431 PolarHBondContact O-N 3.24Å
1428	D	50.3	Low	50.4	Low	98 Å²	98	121.8 Å²	121.8	52%	0.524	61%	0.612	S	S	.	*	H	α-helix	trans	-52.9	-34.1	173.2	-65.9	-23.6	0	0	0	111.1	K1424 R1430	K1424-D1428 WeakPolarHBondContact O-CB 3.25Å; K1424-D1428 PolarHBondContact O-N 3.46Å; D1428-R1430 VanDerWaalsContact C-N 3.31Å; D1428-R1430 PolarHBondContact O-N 3.2Å
1429	R	46.7	Very low	49.4	Very low	164 Å²	164	117.6 Å²	117.6	62%	0.619	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	5.4	177.5	-154.4	-164.9	66	69.7	5.3	114.7	M1425 E1426 Q1427	M1425-R1429 WeakPolarHBondContact O-CB 3.31Å; M1425-R1429 PolarHBondContact O-N 3.46Å; E1426-R1429 IonicContact OE1-NH2 3.09Å; E1426-R1429 PolarHBondContact OE1-NH2 3.38Å; E1426-R1429 VanDerWaalsContact OE1-NH2 3.09Å; E1426-R1429 IonicContact OE2-CZ 3.32Å; E1426-R1429 VanDerWaalsContact OE2-CZ 3.32Å; E1426-R1429 IonicContact OE2-NE 2.82Å; E1426-R1429 PolarHBondContact OE2-NE 3.07Å; E1426-R1429 IonicContact OE2-NH2 2.95Å; E1426-R1429 PolarHBondContact OE2-NH2 3.48Å; Q1427-R1429 PolarHBondContact O-N 2.62Å; Q1427-R1429 VanDerWaalsContact O-N 3.12Å
1430	R	51.6	Low	48.5	Very low	178 Å²	178	116.8 Å²	116.8	67%	0.672	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	-11.5	176.4	-75.1	175.2	-173.3	-148.4	0.8	113.9	E1426 Q1427 D1428 D1432	E1426-R1430 VanDerWaalsContact O-CD 3.24Å; E1426-R1430 WeakPolarHBondContact O-CD 3.49Å; E1426-R1430 WeakPolarHBondContact O-CG 3.34Å; E1426-R1430 PolarHBondContact O-NE 2.85Å; E1426-R1430 IonicContact OE1-CZ 3.22Å; E1426-R1430 IonicContact OE1-NE 2.83Å; E1426-R1430 PolarHBondContact OE1-NE 2.88Å; E1426-R1430 IonicContact OE1-NH2 2.88Å; E1426-R1430 PolarHBondContact OE1-NH2 3.01Å; Q1427-R1430 PolarHBondContact O-N 2.97Å; D1428-R1430 VanDerWaalsContact C-N 3.31Å; D1428-R1430 PolarHBondContact O-N 3.2Å; R1430-D1432 VanDerWaalsContact C-N 3.34Å
1431	E	48.2	Very low	47.5	Very low	138 Å²	138	116.8 Å²	116.8	65%	0.645	62%	0.619	S	S	*	*	S	Bend	trans	-94.4	14.1	-178.1	-63.8	178.3	-167.4	0	0	112.5	Q1427	Q1427-E1431 WeakPolarHBondContact CG-OE1 3.44Å; Q1427-E1431 PolarHBondContact NE2-OE1 3.05Å; Q1427-E1431 PolarHBondContact O-N 3.24Å
1432	D	42.9	Very low	46.4	Very low	143 Å²	143	117.8 Å²	117.8	77%	0.765	63%	0.632	S	S	*	*	S	Bend	trans	-118.2	19.9	-167.9	-158.8	31.8	0	0	0	115.1	R1430	R1430-D1432 VanDerWaalsContact C-N 3.34Å
1433	M	43.2	Very low	45.1	Very low	194 Å²	194	120.9 Å²	120.9	96%	0.956	65%	0.646	S	S	*	*			trans	-148.3	144.2	170.2	-69.5	-166.3	-177.4	0	0	112.4
1434	G	36.8	Very low	44	Very low	52 Å²	52	122.9 Å²	122.9	54%	0.536	66%	0.657	S	S	.	*			trans	-140.3	-148.2	-167.7	0	0	0	0	0	117.5
1435	D	37.7	Very low	42.4	Very low	135 Å²	135	119.7 Å²	119.7	72%	0.722	66%	0.663	S	S	*	*			trans	72.8	110.9	179	-56.7	-17.4	0	0	0	121.1	S1521 T1522	D1435-S1521 PolarHBondContact O-OG 3.41Å; D1435-T1522 VanDerWaalsContact C-CB 3.42Å; D1435-T1522 VanDerWaalsContact C-CG2 3.44Å; D1435-T1522 WeakPolarHBondContact O-CB 3.34Å; D1435-T1522 WeakPolarHBondContact O-CG2 3.47Å; D1435-T1522 PolarHBondContact O-OG1 2.92Å
1436	D	36.4	Very low	41.4	Very low	125 Å²	125	122.6 Å²	122.6	67%	0.668	67%	0.672	S	S	*	*			trans	56.5	136.2	150.9	-63.7	-21.2	0	0	0	124.9	S1521 T1522	D1436-S1521 PolarHBondContact O-OG 2.96Å; D1436-T1522 WeakPolarHBondContact CA-OG1 3.3Å; D1436-T1522 PolarHBondContact N-OG1 3.17Å; D1436-T1522 VanDerWaalsContact N-OG1 3.12Å; D1436-T1522 PolarHBondContact O-OG1 2.96Å
1437	A	36.5	Very low	40.5	Very low	51 Å²	51	126.7 Å²	126.7	42%	0.421	70%	0.695	S	S	.	*			cis	178.7	164.1	1	0	0	0	0	0	115.3
1438	I	35.8	Very low	40	Very low	161 Å²	161	130.6 Å²	130.6	83%	0.826	71%	0.714	S	S	*	*			trans	61	136.2	151.6	-63	152	0	0	0	119.7
1439	G	33.9	Very low	40.1	Very low	55 Å²	55	128.3 Å²	128.3	57%	0.567	70%	0.701	S	S	*	*			cis	147.8	154.9	-7.8	0	0	0	0	0	115.2
1440	T	34.2	Very low	40.4	Very low	133 Å²	133	124.9 Å²	124.9	82%	0.816	70%	0.7	S	S	*	*			trans	72.7	145.4	160.8	69.3	0	0	0	0	118.8
1441	T	35.3	Very low	40.7	Very low	111 Å²	111	122 Å²	122	68%	0.681	70%	0.696	S	S	*	*			cis	-165.9	135.1	1.6	8.8	0	0	0	0	113.8
1442	T	34.6	Very low	41.3	Very low	117 Å²	117	123.1 Å²	123.1	72%	0.718	71%	0.707	S	S	*	*			trans	49.3	153.6	135.7	58.2	0	0	0	0	122.9
1443	T	36.5	Very low	42.6	Very low	119 Å²	119	119.8 Å²	119.8	73%	0.73	69%	0.692	S	S	*	*			cis	-161.1	136	3.7	6.1	0	0	0	0	111.2
1444	D	35.7	Very low	43.4	Very low	166 Å²	166	118.2 Å²	118.2	89%	0.888	69%	0.687	S	S	*	*				160.6	132.7	129.8	-95.3	-3.4	0	0	0	109.8
1445	G	35.5	Very low	45	Very low	68 Å²	68	122.4 Å²	122.4	70%	0.701	69%	0.69	S	S	*	*			cis	158	51	-3.4	0	0	0	0	0	115.1
1446	K	38.5	Very low	46.7	Very low	192 Å²	192	116 Å²	116	84%	0.835	66%	0.657	S	S	*	*			trans	-160.4	96.2	172.4	-122.7	164.4	-172.2	171	0	116.5
1447	D	43.4	Very low	48.1	Very low	146 Å²	146	114.3 Å²	114.3	78%	0.781	65%	0.647	S	S	*	*			trans	40.5	81.1	141.7	-44.9	-24.2	0	0	0	119.4
1448	E	46.7	Very low	49.7	Very low	197 Å²	197	114.8 Å²	114.8	92%	0.921	65%	0.65	S	S	*	*			trans	-75.5	141.8	156	-68.2	-171.1	124.8	0	0	110.8
1449	I	52.3	Low	51.3	Low	49 Å²	49	111 Å²	111	25%	0.251	63%	0.629	S	S	.	*			trans	-94.7	127.1	179.5	-51	173.6	0	0	0	108.9	I1451 K1463	I1449-I1451 PolarHBondContact O-N 3.4Å; I1449-K1463 HydrophobicContact CD1-CD 3.93Å
1450	P	52.6	Low	52.8	Low	92 Å²	92	110 Å²	110	60%	0.597	62%	0.616	S	S	*	*			trans	-65.7	104.6	172.2	-21	33.5	0	0	0	111.3	D1452 T1453	P1450-D1452 PolarHBondContact O-N 3.41Å; P1450-T1453 PolarHBondContact O-OG1 3.48Å
1451	I	58.8	Low	54.2	Low	117 Å²	117	108.2 Å²	108.2	60%	0.6	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-27.4	-173.6	-61.9	178.9	0	0	0	111.6	I1449 T1453	I1449-I1451 PolarHBondContact O-N 3.4Å; I1451-T1453 PolarHBondContact O-N 3.09Å; I1451-T1453 VanDerWaalsContact O-N 3.08Å
1452	D	60.4	Low	55.7	Low	163 Å²	163	104.4 Å²	104.4	87%	0.872	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	3.3	-173.8	-50.3	-65.5	0	0	0	115.1	P1450	P1450-D1452 PolarHBondContact O-N 3.41Å
1453	T	69.9	Low	57.2	Low	73 Å²	73	105.4 Å²	105.4	45%	0.448	58%	0.578	S	S	.	*	S	Bend	trans	-105.9	140.6	171.4	61	0	0	0	0	111.5	P1450 I1451 K1455 G1456 L1457	P1450-T1453 PolarHBondContact O-OG1 3.48Å; I1451-T1453 PolarHBondContact O-N 3.09Å; I1451-T1453 VanDerWaalsContact O-N 3.08Å; T1453-K1455 PolarHBondContact O-N 3.19Å; T1453-G1456 WeakPolarHBondContact O-CA 3.31Å; T1453-G1456 PolarHBondContact O-N 2.93Å; T1453-G1456 PolarHBondContact OG1-N 3.05Å; T1453-L1457 PolarHBondContact O-N 3.22Å
1454	L	59.3	Low	58.1	Low	161 Å²	161	105.4 Å²	105.4	84%	0.843	58%	0.578	S	S	*	*	H	α-helix	trans	-53.3	-29.1	172.8	-121.2	163.1	0	0	0	112.5	A1458	L1454-A1458 VanDerWaalsContact O-CB 3.31Å; L1454-A1458 WeakPolarHBondContact O-CB 3.23Å; L1454-A1458 PolarHBondContact O-N 3.03Å; L1454-A1458 VanDerWaalsContact O-N 3.15Å
1455	K	70	Confident	58.8	Low	139 Å²	139	103.3 Å²	103.3	60%	0.604	57%	0.565	S	S	*	*	H	α-helix	trans	-72.4	-48.3	171.7	-175	176.9	-179.9	-68.8	0	112.5	T1453 L1457 A1458 E1459	T1453-K1455 PolarHBondContact O-N 3.19Å; K1455-L1457 VanDerWaalsContact C-N 3.33Å; K1455-L1457 PolarHBondContact O-N 2.92Å; K1455-A1458 PolarHBondContact O-N 2.98Å; K1455-E1459 WeakPolarHBondContact CE-OE1 3.45Å; K1455-E1459 IonicContact NZ-OE1 2.66Å; K1455-E1459 PolarHBondContact NZ-OE1 2.98Å; K1455-E1459 IonicContact NZ-OE2 3.52Å; K1455-E1459 WeakPolarHBondContact O-CB 3.48Å; K1455-E1459 WeakPolarHBondContact O-CG 3.31Å; K1455-E1459 PolarHBondContact O-N 3.23Å
1456	G	73.9	Confident	59.4	Low	2 Å²	2	107.6 Å²	107.6	2%	0.021	57%	0.567	C	S	.	*	H	α-helix	trans	-61.4	-40.1	176.7	0	0	0	0	0	112.8	T1453 E1459 A1460	T1453-G1456 WeakPolarHBondContact O-CA 3.31Å; T1453-G1456 PolarHBondContact O-N 2.93Å; T1453-G1456 PolarHBondContact OG1-N 3.05Å; G1456-E1459 PolarHBondContact O-N 3.19Å; G1456-A1460 WeakPolarHBondContact O-CB 3.32Å; G1456-A1460 PolarHBondContact O-N 2.88Å
1457	L	67	Low	59.5	Low	89 Å²	89	102.2 Å²	102.2	47%	0.466	56%	0.558	S	S	.	*	H	α-helix	trans	-65.6	-41.9	174.7	-151.6	165.7	0	0	0	111.3	T1453 K1455 A1460 L1461	T1453-L1457 PolarHBondContact O-N 3.22Å; K1455-L1457 VanDerWaalsContact C-N 3.33Å; K1455-L1457 PolarHBondContact O-N 2.92Å; L1457-A1460 PolarHBondContact O-N 3.33Å; L1457-L1461 HydrophobicContact CD2-CD1 3.59Å; L1457-L1461 HydrophobicContact CD2-CG 4.07Å; L1457-L1461 WeakPolarHBondContact O-CB 3.43Å; L1457-L1461 WeakPolarHBondContact O-CG 3.32Å; L1457-L1461 PolarHBondContact O-N 3.28Å
1458	A	68.4	Low	59.2	Low	60 Å²	60	103.4 Å²	103.4	50%	0.496	57%	0.565	S	S	.	*	H	α-helix	trans	-65.2	-37.6	173.4	0	0	0	0	0	113.2	L1454 K1455 G1462	L1454-A1458 VanDerWaalsContact O-CB 3.31Å; L1454-A1458 WeakPolarHBondContact O-CB 3.23Å; L1454-A1458 PolarHBondContact O-N 3.03Å; L1454-A1458 VanDerWaalsContact O-N 3.15Å; K1455-A1458 PolarHBondContact O-N 2.98Å; A1458-G1462 PolarHBondContact O-N 3.43Å
1459	E	70.2	Confident	58.6	Low	81 Å²	81	97.2 Å²	97.2	38%	0.379	55%	0.554	S	S	.	*	H	α-helix	trans	-72.4	-35.3	176	-76.4	174.3	-173.2	0	0	112.5	K1455 G1456 G1462 K1463	K1455-E1459 WeakPolarHBondContact CE-OE1 3.45Å; K1455-E1459 IonicContact NZ-OE1 2.66Å; K1455-E1459 PolarHBondContact NZ-OE1 2.98Å; K1455-E1459 IonicContact NZ-OE2 3.52Å; K1455-E1459 WeakPolarHBondContact O-CB 3.48Å; K1455-E1459 WeakPolarHBondContact O-CG 3.31Å; K1455-E1459 PolarHBondContact O-N 3.23Å; G1456-E1459 PolarHBondContact O-N 3.19Å; E1459-G1462 PolarHBondContact O-N 3.42Å; E1459-K1463 WeakPolarHBondContact O-CB 3.49Å; E1459-K1463 WeakPolarHBondContact O-CG 3.48Å; E1459-K1463 PolarHBondContact O-N 3.37Å
1460	A	66.4	Low	57.6	Low	36 Å²	36	106.7 Å²	106.7	30%	0.298	59%	0.586	S	S	.	*	H	α-helix	trans	-64.3	-47.8	171.5	0	0	0	0	0	111.3	G1456 L1457 G1462 K1463 V1464	G1456-A1460 WeakPolarHBondContact O-CB 3.32Å; G1456-A1460 PolarHBondContact O-N 2.88Å; L1457-A1460 PolarHBondContact O-N 3.33Å; A1460-G1462 VanDerWaalsContact C-N 3.34Å; A1460-G1462 PolarHBondContact O-N 3.32Å; A1460-K1463 PolarHBondContact O-N 2.83Å; A1460-V1464 WeakPolarHBondContact O-CG2 3.35Å; A1460-V1464 PolarHBondContact O-N 2.95Å
1461	L	63.4	Low	56.6	Low	94 Å²	94	111.2 Å²	111.2	49%	0.492	60%	0.599	S	S	.	*	H	α-helix	trans	-61.3	-41.6	173.6	-73.8	171.8	0	0	0	111.9	L1457 K1463 V1464 I1465	L1457-L1461 HydrophobicContact CD2-CD1 3.59Å; L1457-L1461 HydrophobicContact CD2-CG 4.07Å; L1457-L1461 WeakPolarHBondContact O-CB 3.43Å; L1457-L1461 WeakPolarHBondContact O-CG 3.32Å; L1457-L1461 PolarHBondContact O-N 3.28Å; L1461-K1463 PolarHBondContact O-N 3.22Å; L1461-V1464 PolarHBondContact O-N 2.89Å; L1461-I1465 HydrophobicContact CB-CD1 4.49Å; L1461-I1465 WeakPolarHBondContact O-CB 3.44Å; L1461-I1465 WeakPolarHBondContact O-CD1 3.41Å; L1461-I1465 VanDerWaalsContact O-CG1 3.26Å; L1461-I1465 WeakPolarHBondContact O-CG1 3.47Å; L1461-I1465 PolarHBondContact O-N 2.96Å
1462	G	65.4	Low	55.4	Low	31 Å²	31	112 Å²	112	32%	0.32	61%	0.609	S	S	.	*	H	α-helix	trans	-58.7	-43.6	175.1	0	0	0	0	0	112.9	A1458 E1459 A1460 I1465 H1466	A1458-G1462 PolarHBondContact O-N 3.43Å; E1459-G1462 PolarHBondContact O-N 3.42Å; A1460-G1462 VanDerWaalsContact C-N 3.34Å; A1460-G1462 PolarHBondContact O-N 3.32Å; G1462-I1465 PolarHBondContact O-N 2.98Å; G1462-H1466 PolarHBondContact O-N 2.84Å
1463	K	67.8	Low	54.1	Low	139 Å²	139	110.9 Å²	110.9	60%	0.604	61%	0.609	S	S	*	*	H	α-helix	trans	-66.3	-33.9	175.7	-75.1	174.5	177.9	179.6	0	112.9	I1449 E1459 A1460 L1461	I1449-K1463 HydrophobicContact CD1-CD 3.93Å; E1459-K1463 WeakPolarHBondContact O-CB 3.49Å; E1459-K1463 WeakPolarHBondContact O-CG 3.48Å; E1459-K1463 PolarHBondContact O-N 3.37Å; A1460-K1463 PolarHBondContact O-N 2.83Å; L1461-K1463 PolarHBondContact O-N 3.22Å
1464	V	53.9	Low	52.4	Low	118 Å²	118	112.7 Å²	112.7	72%	0.715	62%	0.622	S	S	*	*	H	α-helix	trans	-74.8	-30	176.2	172.1	0	0	0	0	112.6	A1460 L1461	A1460-V1464 WeakPolarHBondContact O-CG2 3.35Å; A1460-V1464 PolarHBondContact O-N 2.95Å; L1461-V1464 PolarHBondContact O-N 2.89Å
1465	I	50.8	Low	51.2	Low	122 Å²	122	112.6 Å²	112.6	63%	0.626	62%	0.619	S	S	*	*	H	α-helix	trans	-87.3	-19.1	-174.8	-69.3	167.1	0	0	0	113.2	L1461 G1462	L1461-I1465 HydrophobicContact CB-CD1 4.49Å; L1461-I1465 WeakPolarHBondContact O-CB 3.44Å; L1461-I1465 WeakPolarHBondContact O-CD1 3.41Å; L1461-I1465 VanDerWaalsContact O-CG1 3.26Å; L1461-I1465 WeakPolarHBondContact O-CG1 3.47Å; L1461-I1465 PolarHBondContact O-N 2.96Å; G1462-I1465 PolarHBondContact O-N 2.98Å
1466	H	48.6	Very low	49.7	Very low	159 Å²	159	111.7 Å²	111.7	74%	0.736	63%	0.627	S	S	*	*	S	Bend	trans	-113.9	11.2	-175.3	-78.1	-71.9	0	0	0	116.1	G1462 D1468	G1462-H1466 PolarHBondContact O-N 2.84Å; H1466-D1468 VanDerWaalsContact C-N 3.26Å; H1466-D1468 PolarHBondContact O-N 3.33Å
1467	A	41.1	Very low	47.9	Very low	79 Å²	79	115.7 Å²	115.7	65%	0.653	65%	0.653	S	S	*	*			trans	-78.3	59.1	-178.7	0	0	0	0	0	114.4
1468	D	35.7	Very low	46.3	Very low	171 Å²	171	118.2 Å²	118.2	91%	0.914	67%	0.667	S	S	*	*	S	Bend	trans	-163.7	82.3	163.7	-114.6	-24.4	0	0	0	111.5	H1466	H1466-D1468 VanDerWaalsContact C-N 3.26Å; H1466-D1468 PolarHBondContact O-N 3.33Å
1469	G	35.1	Very low	44.6	Very low	67 Å²	67	123.6 Å²	123.6	69%	0.691	68%	0.682	S	S	*	*			trans	163.5	111.9	170.1	0	0	0	0	0	117.8
1470	R	30.4	Very low	43.1	Very low	248 Å²	248	124.6 Å²	124.6	94%	0.936	70%	0.695	S	S	*	*			trans	70.2	149.3	-179.9	-57	178.6	166.3	139.3	-5.7	113.4
1471	E	33.2	Very low	41.6	Very low	186 Å²	186	130.2 Å²	130.2	87%	0.869	72%	0.72	S	S	*	*			cis	-130.3	-176.3	23.3	-68.4	-178.5	108.6	0	0	115.1
1472	T	32	Very low	40	Very low	133 Å²	133	132.3 Å²	132.3	82%	0.816	73%	0.731	S	S	*	*			trans	-140.4	124.2	-174.8	52.2	0	0	0	0	112.2
1473	T	33.8	Very low	38.6	Very low	141 Å²	141	137 Å²	137	87%	0.865	75%	0.754	S	S	*	*			trans	-165.2	165	170.3	7.1	0	0	0	0	110.3
1474	P	34.9	Very low	36.8	Very low	110 Å²	110	137.6 Å²	137.6	71%	0.714	76%	0.764	S	S	*	*				-137.9	-171.7	-118.4	42.2	-22.8	0	0	0	117.9
1475	M	33.4	Very low	35.9	Very low	160 Å²	160	135.3 Å²	135.3	79%	0.788	76%	0.757	S	S	*	*			trans	76.9	157.8	166	-70.6	-166.7	73.7	0	0	117.7
1476	P	38	Very low	35.1	Very low	119 Å²	119	134.9 Å²	134.9	77%	0.773	76%	0.764	S	S	*	*			cis	-112.1	178.9	6.5	41.2	-30.1	0	0	0	115.8
1477	P	36.2	Very low	34.3	Very low	87 Å²	87	132 Å²	132	57%	0.565	76%	0.758	S	S	*	*			trans	-113.1	-171.6	-164.7	42.9	-33.9	0	0	0	116.3
1478	D	34.5	Very low	33.8	Very low	142 Å²	142	135.9 Å²	135.9	76%	0.759	76%	0.763	S	S	*	*			trans	73.8	143.1	163.3	-52.3	-29.2	0	0	0	117.9
1479	H	32.3	Very low	33.5	Very low	173 Å²	173	134.7 Å²	134.7	80%	0.801	75%	0.752	S	S	*	*			cis	-155.2	167.2	-9.3	-138.2	-113.5	0	0	0	109.2
1480	P	37.6	Very low	33.2	Very low	102 Å²	102	137.5 Å²	137.5	66%	0.662	75%	0.751	S	S	*	*			trans	-113.9	167.3	-169.3	40.8	-31.1	0	0	0	116.3
1481	D	34.7	Very low	33.3	Very low	153 Å²	153	131.8 Å²	131.8	82%	0.818	74%	0.737	S	S	*	*			trans	-177.2	173.3	156.6	-104.5	-12.8	0	0	0	109
1482	L	31.3	Very low	33.1	Very low	139 Å²	139	125.7 Å²	125.7	73%	0.728	72%	0.715	S	S	*	*				-170.7	158.9	-63.4	-120.6	179.1	0	0	0	107.4
1483	T	34.3	Very low	33.5	Very low	130 Å²	130	123.8 Å²	123.8	80%	0.798	71%	0.705	S	S	*	*			trans	63.3	158.8	168.9	63.6	0	0	0	0	119
1484	D	31.5	Very low	33.6	Very low	151 Å²	151	122.2 Å²	122.2	81%	0.807	70%	0.7	S	S	*	*			cis	-165.2	167.9	-34.7	-171.5	24	0	0	0	109.9
1485	A	33.8	Very low	33.6	Very low	69 Å²	69	121.6 Å²	121.6	57%	0.57	69%	0.69	S	S	*	*			trans	65.1	116.5	150.2	0	0	0	0	0	122.6
1486	S	34.3	Very low	33.9	Very low	113 Å²	113	118.9 Å²	118.9	79%	0.79	69%	0.685	S	S	*	*				75.1	155.3	124.9	-78.5	0	0	0	0	122.5
1487	T	31.6	Very low	33.6	Very low	98 Å²	98	120.1 Å²	120.1	60%	0.601	69%	0.685	S	S	*	*			cis	-176.4	145.5	-19.5	-94	0	0	0	0	108.9
1488	Q	30.5	Very low	33.3	Very low	161 Å²	161	121.3 Å²	121.3	75%	0.752	69%	0.69	S	S	*	*			trans	66.2	158.3	174.1	-68.3	168.2	72.8	0	0	114.6
1489	Q	29.9	Very low	33	Very low	146 Å²	146	121.9 Å²	121.9	68%	0.682	69%	0.692	S	S	*	*			cis	-167.1	169.8	-15.9	-102.3	-176.5	32.7	0	0	106.8
1490	L	29.6	Very low	32.7	Very low	127 Å²	127	118.5 Å²	118.5	67%	0.665	68%	0.684	S	S	*	*			cis	-157.9	179.1	-2	-122.3	-171	0	0	0	110.1
1491	I	31.1	Very low	32.4	Very low	127 Å²	127	119 Å²	119	65%	0.651	69%	0.686	S	S	*	*			trans	38.5	92.8	154.8	-51.6	169.9	0	0	0	119.5
1492	S	30.6	Very low	32.1	Very low	58 Å²	58	119.3 Å²	119.3	41%	0.406	68%	0.684	S	S	.	*				40.1	164	98.2	-26.3	0	0	0	0	122	M1	M1-S1492 VanDerWaalsContact CE-OG 3.32Å; M1-S1492 WeakPolarHBondContact CE-OG 3.23Å; M1-S1492 VanDerWaalsContact CG-OG 3.23Å; M1-S1492 WeakPolarHBondContact CG-OG 3.23Å; M1-S1492 PolarHBondContact SD-OG 3.07Å
1493	P	40.6	Very low	32	Very low	94 Å²	94	116.8 Å²	116.8	61%	0.61	68%	0.678	S	S	*	*				-137.1	-178.7	-107.5	36.3	-13.3	0	0	0	115.7
1494	S	34.9	Very low	31.8	Very low	107 Å²	107	115.5 Å²	115.5	75%	0.748	67%	0.674	S	S	*	*			trans	-166.8	115.3	159.4	43.6	0	0	0	0	116.5
1495	N	34.6	Very low	31.8	Very low	97 Å²	97	112.4 Å²	112.4	52%	0.519	67%	0.67	S	S	.	*			trans	61.1	167.5	139.1	-94	5.7	0	0	0	122.3	I5	I5-N1495 PolarHBondContact N-ND2 3.47Å; I5-N1495 VanDerWaalsContact N-ND2 3.16Å; I5-N1495 PolarHBondContact O-ND2 3.46Å
1496	P	40.2	Very low	31.6	Very low	103 Å²	103	115.6 Å²	115.6	67%	0.669	68%	0.682	S	S	*	*			trans	-127.4	-178.3	-140.3	45	-33.2	0	0	0	117.9
1497	D	30.6	Very low	31.3	Very low	145 Å²	145	119 Å²	119	78%	0.775	69%	0.685	S	S	*	*			trans	95.6	144.1	140	-105.2	-33.7	0	0	0	122.6
1498	V	30.2	Very low	31.2	Very low	112 Å²	112	117.6 Å²	117.6	68%	0.679	69%	0.69	S	S	*	*			trans	83.9	119.2	145.2	163.3	0	0	0	0	121.6
1499	L	28.5	Very low	31.1	Very low	154 Å²	154	115.5 Å²	115.5	81%	0.806	69%	0.694	S	S	*	*			trans	75	109.1	151.5	-69.1	167.4	0	0	0	122.8
1500	T	27.5	Very low	31.2	Very low	102 Å²	102	112.9 Å²	112.9	63%	0.626	70%	0.697	S	S	*	*				103.2	100.7	111.6	-65.5	0	0	0	0	121.4
1501	T	29.7	Very low	31.2	Very low	114 Å²	114	111.8 Å²	111.8	70%	0.699	70%	0.7	S	S	*	*				52.9	160.1	107.7	-32	0	0	0	0	121.6
1502	M	29.1	Very low	31.2	Very low	159 Å²	159	110.7 Å²	110.7	78%	0.783	70%	0.704	S	S	*	*			trans	81.6	134.3	178.9	-48.8	-86	93.6	0	0	112.1
1503	S	29.5	Very low	31.1	Very low	85 Å²	85	113.3 Å²	113.3	59%	0.594	72%	0.717	S	S	*	*			cis	-153.1	154.8	-1.3	-108.3	0	0	0	0	107.9
1504	S	29.8	Very low	30.6	Very low	104 Å²	104	116.6 Å²	116.6	73%	0.727	73%	0.726	S	S	*	*				54.1	145.2	65.1	101.3	0	0	0	0	113.7
1505	A	31.1	Very low	30.5	Very low	86 Å²	86	118.1 Å²	118.1	71%	0.711	73%	0.725	S	S	*	*			cis	-167.6	153	-23.6	0	0	0	0	0	107.6
1506	V	29.7	Very low	30.2	Very low	136 Å²	136	121.2 Å²	121.2	82%	0.824	74%	0.736	S	S	*	*			trans	-160.9	143.7	162.4	-96.2	0	0	0	0	107.5
1507	E	27.5	Very low	29.6	Very low	183 Å²	183	123 Å²	123	86%	0.855	74%	0.74	S	S	*	*			cis	166.7	146.8	-24.3	-115.7	-172.5	167.9	0	0	104.8
1508	G	30.3	Very low	29.7	Very low	69 Å²	69	122.6 Å²	122.6	71%	0.711	74%	0.736	S	S	*	*			trans	78.1	162.5	159.8	0	0	0	0	0	117.9
1509	S	29.3	Very low	29.5	Very low	118 Å²	118	124.3 Å²	124.3	83%	0.825	74%	0.742	S	S	*	*			cis	-167.6	150.1	-9.9	-119.7	0	0	0	0	111.3
1510	A	31.3	Very low	29.6	Very low	90 Å²	90	121.1 Å²	121.1	74%	0.744	74%	0.738	S	S	*	*			trans	64.2	158.2	155.1	0	0	0	0	0	117.6
1511	S	29	Very low	29.6	Very low	104 Å²	104	119.7 Å²	119.7	73%	0.727	73%	0.731	S	S	*	*			cis	-168.5	169.1	-24.4	-97	0	0	0	0	108.2
1512	S	31.2	Very low	29.6	Very low	105 Å²	105	117.3 Å²	117.3	73%	0.734	72%	0.717	S	S	*	*			trans	75.7	150	149.7	-79.5	0	0	0	0	119.8
1513	T	28.3	Very low	29.7	Very low	112 Å²	112	113 Å²	113	69%	0.687	70%	0.702	S	S	*	*			cis	176	161.3	-42.1	32.2	0	0	0	0	109.2
1514	M	31.5	Very low	29.8	Very low	164 Å²	164	113.1 Å²	113.1	81%	0.808	71%	0.709	S	S	*	*			trans	83.5	154	156.4	-54.2	-153	174.6	0	0	119.3
1515	I	31.4	Very low	30	Very low	139 Å²	139	114.2 Å²	114.2	71%	0.713	71%	0.711	S	S	*	*			trans	68.5	102.3	168.6	-57.9	130.4	0	0	0	112.5
1516	E	28.6	Very low	29.9	Very low	162 Å²	162	115.8 Å²	115.8	76%	0.757	71%	0.707	S	S	*	*				75.5	135.9	50.4	-58.9	179.9	131.2	0	0	114.4
1517	D	28.7	Very low	29.8	Very low	140 Å²	140	113.3 Å²	113.3	75%	0.749	70%	0.701	S	S	*	*			trans	77.5	140.5	147.2	-78.7	4.8	0	0	0	123.8
1518	I	31.9	Very low	29.8	Very low	137 Å²	137	108.7 Å²	108.7	70%	0.703	69%	0.689	S	S	*	*			trans	77.3	110	150.3	-67.5	158	0	0	0	118.4
1519	D	26.8	Very low	29.8	Very low	148 Å²	148	112.4 Å²	112.4	79%	0.791	69%	0.69	S	S	*	*			trans	41.8	176.4	131.8	-52.5	-33	0	0	0	121.8
1520	A	30.6	Very low	29.8	Very low	87 Å²	87	114.1 Å²	114.1	72%	0.719	69%	0.686	S	S	*	*			trans	54.4	80.6	169.5	0	0	0	0	0	114.6
1521	S	27.6	Very low	29.6	Very low	71 Å²	71	117.1 Å²	117.1	50%	0.497	69%	0.69	S	S	.	*				105.5	147.4	72.7	56.3	0	0	0	0	111	D1435 D1436	D1435-S1521 PolarHBondContact O-OG 3.41Å; D1436-S1521 PolarHBondContact O-OG 2.96Å
1522	T	28.2	Very low	29.6	Very low	65 Å²	65	117.4 Å²	117.4	40%	0.399	69%	0.692	S	S	.	*			trans	58.3	172.2	137.8	53.8	0	0	0	0	120.1	D1435 D1436	D1435-T1522 VanDerWaalsContact C-CB 3.42Å; D1435-T1522 VanDerWaalsContact C-CG2 3.44Å; D1435-T1522 WeakPolarHBondContact O-CB 3.34Å; D1435-T1522 WeakPolarHBondContact O-CG2 3.47Å; D1435-T1522 PolarHBondContact O-OG1 2.92Å; D1436-T1522 WeakPolarHBondContact CA-OG1 3.3Å; D1436-T1522 PolarHBondContact N-OG1 3.17Å; D1436-T1522 VanDerWaalsContact N-OG1 3.12Å; D1436-T1522 PolarHBondContact O-OG1 2.96Å
1523	S	31.4	Very low	29.6	Very low	67 Å²	67	121 Å²	121	47%	0.469	70%	0.699	S	S	.	*			cis	-117.1	128.3	0.6	61.6	0	0	0	0	110.6
1524	A	31.1	Very low	29.9	Very low	89 Å²	89	121 Å²	121	74%	0.736	70%	0.701	S	S	*	*				70.9	149.7	94.1	0	0	0	0	0	113.4
1525	V	34	Very low	30.2	Very low	127 Å²	127	119.3 Å²	119.3	77%	0.77	70%	0.702	S	S	*	*			cis	-129.5	137.8	11.9	-98	0	0	0	0	108.6
1526	D	29.1	Very low	30.1	Very low	119 Å²	119	116.3 Å²	116.3	64%	0.636	71%	0.705	S	S	*	*				62.1	113.6	78.1	-154.8	19.5	0	0	0	109.3	S1528	D1526-S1528 PolarHBondContact OD1-N 3.41Å
1527	A	27.9	Very low	30.1	Very low	84 Å²	84	112.2 Å²	112.2	69%	0.694	70%	0.7	S	S	*	*				55.8	172.5	50.5	0	0	0	0	0	112.2
1528	S	28.4	Very low	30.2	Very low	86 Å²	86	112.6 Å²	112.6	60%	0.601	70%	0.697	S	S	*	*			trans	64.2	159.2	-163.4	94	0	0	0	0	113.9	D1526	D1526-S1528 PolarHBondContact OD1-N 3.41Å
1529	M	28.7	Very low	30.1	Very low	147 Å²	147	109.7 Å²	109.7	72%	0.724	68%	0.682	S	S	*	*			cis	-150.6	145	-2.2	-142	167.4	-133.6	0	0	112
1530	M	30.2	Very low	30.3	Very low	154 Å²	154	106.6 Å²	106.6	76%	0.759	67%	0.672	S	S	*	*			trans	62.9	118.5	155.2	-75.7	158.2	-164.7	0	0	118.4
1531	N	27.6	Very low	30.3	Very low	153 Å²	153	107.9 Å²	107.9	82%	0.818	67%	0.671	S	S	*	*				41	94.4	73.3	-76.2	-19.5	0	0	0	114
1532	S	29.6	Very low	30.6	Very low	109 Å²	109	110.4 Å²	110.4	76%	0.762	68%	0.68	S	S	*	*				171.4	122.2	114.9	-76.9	0	0	0	0	114.6
1533	M	31	Very low	30.8	Very low	182 Å²	182	114.5 Å²	114.5	90%	0.897	69%	0.694	S	S	*	*			trans	70.6	159.8	150.1	-58.3	-175.7	71.9	0	0	119.2
1534	P	33.3	Very low	30.8	Very low	112 Å²	112	118.7 Å²	118.7	73%	0.727	71%	0.71	S	S	*	*			trans	-123.6	-154.1	-166.9	39	-19.3	0	0	0	111.7
1535	P	37.3	Very low	31	Very low	128 Å²	128	118.4 Å²	118.4	83%	0.831	70%	0.7	S	S	*	*				-110.6	172.6	-60.1	35.1	-23	0	0	0	111.2
1536	G	30	Very low	30.8	Very low	75 Å²	75	115.5 Å²	115.5	77%	0.773	69%	0.69	S	S	*	*			trans	171.2	86.5	168.4	0	0	0	0	0	119.6
1537	A	28.4	Very low	30.8	Very low	77 Å²	77	114.2 Å²	114.2	64%	0.636	70%	0.696	S	S	*	*			trans	37.2	157.4	136.5	0	0	0	0	0	124.2
1538	Q	30.6	Very low	30.9	Very low	148 Å²	148	118.9 Å²	118.9	69%	0.692	71%	0.705	S	S	*	*			trans	73.1	143.5	164.7	-57.6	-171.8	-3.4	0	0	117.7	R722	R722-Q1538 VanDerWaalsContact NH2-N 3.19Å
1539	N	30.4	Very low	30.9	Very low	75 Å²	75	121.2 Å²	121.2	40%	0.401	72%	0.716	S	S	.	*			cis	-166.8	127.8	-26.8	-120.3	-8.1	0	0	0	112.9	K726	K726-N1539 WeakPolarHBondContact CE-OD1 3.32Å; K726-N1539 PolarHBondContact NZ-OD1 3.3Å
1540	S	31.8	Very low	31	Very low	83 Å²	83	121.4 Å²	121.4	58%	0.58	72%	0.719	S	S	*	*			trans	65.4	164.9	151.6	-28.4	0	0	0	0	117	K726	K726-S1540 PolarHBondContact NZ-OG 3.07Å
1541	T	30.4	Very low	30.9	Very low	114 Å²	114	117.8 Å²	117.8	70%	0.699	71%	0.709	S	S	*	*			cis	-154.7	169.5	0.3	-22.4	0	0	0	0	110.6
1542	D	33.5	Very low	31.1	Very low	125 Å²	125	118.9 Å²	118.9	67%	0.668	71%	0.711	S	S	*	*			trans	71.7	143.7	157.4	-54.8	-45.2	0	0	0	120.1
1543	Q	31.6	Very low	31	Very low	150 Å²	150	121 Å²	121	70%	0.701	71%	0.714	S	S	*	*			cis	-158.2	121.8	-18.9	-108.3	164.9	56.7	0	0	106.2
1544	I	32.5	Very low	30.8	Very low	155 Å²	155	121 Å²	121	80%	0.795	71%	0.712	S	S	*	*				65.7	136.5	86.5	-71.5	176.2	0	0	0	113.4
1545	P	34.5	Very low	30.6	Very low	83 Å²	83	124.4 Å²	124.4	54%	0.539	72%	0.718	S	S	.	*			cis	-137.1	154.8	23.4	37.8	-19.2	0	0	0	119.7	R1693	P1545-R1693 PolarHBondContact O-NH2 3.09Å
1546	A	31.2	Very low	30	Very low	67 Å²	67	124.6 Å²	124.6	55%	0.554	72%	0.721	S	S	*	*			trans	50.9	125.8	138.2	0	0	0	0	0	119.4	R1693	A1546-R1693 PolarHBondContact O-NH1 2.85Å
1547	A	28.9	Very low	29.9	Very low	92 Å²	92	125 Å²	125	76%	0.76	72%	0.717	S	S	*	*			cis	63.5	113.1	23.3	0	0	0	0	0	115.8
1548	M	28.4	Very low	29.9	Very low	182 Å²	182	130.2 Å²	130.2	90%	0.897	73%	0.728	S	S	*	*			trans	-136	63.4	168.6	-125.5	-175.2	-176	0	0	110.1	L1550	M1548-L1550 PolarHBondContact O-N 3.15Å
1549	T	29.2	Very low	29.8	Very low	134 Å²	134	126.5 Å²	126.5	82%	0.822	72%	0.719	S	S	*	*			trans	-78.7	101.6	167.9	-52.7	0	0	0	0	108.2	S1551	T1549-S1551 PolarHBondContact O-N 3.03Å
1550	L	30.6	Very low	29.8	Very low	151 Å²	151	130 Å²	130	79%	0.791	74%	0.735	S	S	*	*			trans	-86.1	86.2	168.5	-76.3	176.2	0	0	0	109.6	M1548	M1548-L1550 PolarHBondContact O-N 3.15Å
1551	S	28.8	Very low	29.6	Very low	79 Å²	79	130.7 Å²	130.7	55%	0.552	74%	0.735	S	S	*	*			trans	-72.5	135.8	149.6	176.3	0	0	0	0	108.5	T1549 D1553	T1549-S1551 PolarHBondContact O-N 3.03Å; S1551-D1553 PolarHBondContact OG-N 3.1Å
1552	M	31.1	Very low	29.6	Very low	175 Å²	175	129.3 Å²	129.3	86%	0.862	73%	0.731	S	S	*	*			trans	-130	40.9	159.9	-83.4	-167.3	66.5	0	0	109.7
1553	D	27.5	Very low	29.3	Very low	154 Å²	154	128.3 Å²	128.3	82%	0.824	73%	0.733	S	S	*	*			trans	-98.6	81.1	167	-70.6	-62.6	0	0	0	109.3	S1551	S1551-D1553 PolarHBondContact OG-N 3.1Å
1554	Q	27.7	Very low	29.2	Very low	181 Å²	181	126.8 Å²	126.8	85%	0.846	73%	0.729	S	S	*	*			trans	-145.2	148.4	166.4	-164.6	167.6	-4.6	0	0	109.7
1555	E	28.6	Very low	29.1	Very low	185 Å²	185	124.9 Å²	124.9	86%	0.864	72%	0.724	S	S	*	*			trans	71.7	68.8	-178.2	-52.7	-157.2	114.1	0	0	116.9
1556	C	25	Very low	28.8	Very low	131 Å²	131	131.6 Å²	131.6	89%	0.885	74%	0.739	S	S	*	*			trans	-131.6	69.5	146.3	-167.7	0	0	0	0	110.5
1557	A	27.1	Very low	28.7	Very low	84 Å²	84	135.5 Å²	135.5	69%	0.694	75%	0.75	S	S	*	*			trans	-165.2	58.7	173.3	0	0	0	0	0	113
1558	Q	28.5	Very low	28.8	Very low	186 Å²	186	137.1 Å²	137.1	87%	0.869	75%	0.751	S	S	*	*			trans	-166.6	101.7	162.9	-111.7	146.3	107	0	0	114.8
1559	S	28.2	Very low	29	Very low	70 Å²	70	134.8 Å²	134.8	49%	0.49	75%	0.747	S	S	.	*			trans	54.1	141.1	132.9	-135.8	0	0	0	0	123.8
1560	M	31.5	Very low	29	Very low	149 Å²	149	131.4 Å²	131.4	73%	0.734	74%	0.739	S	S	*	*			trans	87.9	76.4	153.1	-48.1	-152.1	-151.8	0	0	121.9
1561	T	27.5	Very low	29	Very low	97 Å²	97	130.3 Å²	130.3	60%	0.595	74%	0.739	S	S	*	*				53.7	126.8	121.4	59	0	0	0	0	123.5
1562	S	29.1	Very low	29.1	Very low	86 Å²	86	135.5 Å²	135.5	60%	0.601	75%	0.752	S	S	*	*			trans	76	97.2	138.8	59.2	0	0	0	0	122.6
1563	S	27.3	Very low	29.2	Very low	103 Å²	103	135.8 Å²	135.8	72%	0.72	76%	0.756	S	S	*	*				35.2	112.5	121.7	-49	0	0	0	0	122.2
1564	I	30	Very low	29.2	Very low	118 Å²	118	132.7 Å²	132.7	61%	0.605	75%	0.751	S	S	*	*				-167.7	160.9	114.1	-110.8	171.7	0	0	0	112.1
1565	T	29.8	Very low	29.2	Very low	115 Å²	115	130.2 Å²	130.2	71%	0.706	75%	0.749	S	S	*	*			trans	-112.2	144.2	-173.1	54.8	0	0	0	0	114
1566	R	29.2	Very low	29.3	Very low	225 Å²	225	129.9 Å²	129.9	85%	0.849	75%	0.745	S	S	*	*				168.3	134.9	111.4	-93	176	177.3	163.5	1.1	115.7
1567	N	28	Very low	29.6	Very low	148 Å²	148	132.9 Å²	132.9	79%	0.791	75%	0.746	S	S	*	*			trans	34.4	120.3	140.7	-54.6	16.6	0	0	0	121.2
1568	T	31.2	Very low	29.8	Very low	127 Å²	127	135.1 Å²	135.1	78%	0.779	75%	0.746	S	S	*	*				-156.4	108.3	115.5	176.3	0	0	0	0	114.5
1569	T	32.6	Very low	30	Very low	132 Å²	132	131 Å²	131	81%	0.81	73%	0.729	S	S	*	*			trans	41.5	114.6	130.4	-13.8	0	0	0	0	122.7
1570	G	29.2	Very low	30.3	Very low	64 Å²	64	135.3 Å²	135.3	66%	0.66	74%	0.742	S	S	*	*				93.1	131.2	129.1	0	0	0	0	0	118.2
1571	T	31.7	Very low	30.5	Very low	127 Å²	127	133 Å²	133	78%	0.779	74%	0.736	S	S	*	*				-172.1	156.4	52.7	33.8	0	0	0	0	113.8
1572	K	30.5	Very low	30.7	Very low	189 Å²	189	131 Å²	131	82%	0.822	73%	0.73	S	S	*	*			trans	54.7	93.4	150.3	-63.7	165.8	-176.8	176.4	0	119.1
1573	L	32.6	Very low	30.7	Very low	181 Å²	181	133.4 Å²	133.4	95%	0.948	74%	0.735	S	S	*	*				-148.7	137.2	109	-135.7	89.8	0	0	0	108.8
1574	A	27.7	Very low	30.9	Very low	88 Å²	88	132.9 Å²	132.9	73%	0.727	73%	0.731	S	S	*	*			trans	-118.5	-179.8	-179.6	0	0	0	0	0	110.6
1575	T	28.8	Very low	30.8	Very low	129 Å²	129	131.4 Å²	131.4	79%	0.791	73%	0.732	S	S	*	*			trans	76.7	80.2	173.2	-44.5	0	0	0	0	115.5
1576	F	30	Very low	30.7	Very low	178 Å²	178	132 Å²	132	78%	0.781	74%	0.735	S	S	*	*			trans	-157.4	5.9	135.3	-114.9	-69.1	0	0	0	115.6	N1578	F1576-N1578 VanDerWaalsContact C-N 3.3Å; F1576-N1578 PolarHBondContact O-N 3.2Å
1577	E	30.8	Very low	30.6	Very low	195 Å²	195	128.5 Å²	128.5	91%	0.911	73%	0.733	S	S	*	*			trans	-65.7	83.5	168	-67.7	176	116.6	0	0	111.3
1578	N	32.1	Very low	30.6	Very low	131 Å²	131	124.7 Å²	124.7	70%	0.701	73%	0.728	S	S	*	*			trans	-160.1	13.8	168.9	-118.6	-21.1	0	0	0	114.4	F1576 A1582	F1576-N1578 VanDerWaalsContact C-N 3.3Å; F1576-N1578 PolarHBondContact O-N 3.2Å; N1578-A1582 WeakPolarHBondContact O-CB 3.49Å
1579	L	32.7	Very low	30.3	Very low	99 Å²	99	122.9 Å²	122.9	52%	0.518	72%	0.717	S	S	.	*	S	Bend	trans	-109.5	-38.7	-175.7	-106.3	160.9	0	0	0	114	A1582 L1583	L1579-A1582 PolarHBondContact O-N 3.34Å; L1579-L1583 HydrophobicContact CD2-CD1 4.06Å; L1579-L1583 HydrophobicContact CD2-CG 4.33Å; L1579-L1583 WeakPolarHBondContact O-CB 3.38Å; L1579-L1583 WeakPolarHBondContact O-CG 3.44Å; L1579-L1583 PolarHBondContact O-N 3.29Å
1580	E	35	Very low	30.2	Very low	161 Å²	161	125.4 Å²	125.4	75%	0.752	72%	0.719	S	S	*	*	H	α-helix	trans	-70.5	-34.5	176.7	-69.9	-176.7	115.6	0	0	112.5	S1584	E1580-S1584 WeakPolarHBondContact O-CB 3.37Å; E1580-S1584 PolarHBondContact O-N 3.27Å; E1580-S1584 PolarHBondContact O-OG 3.15Å
1581	T	35.3	Very low	30.1	Very low	100 Å²	100	125.1 Å²	125.1	61%	0.613	70%	0.702	S	S	*	*	H	α-helix	trans	-70.9	-32	172.5	-38.3	0	0	0	0	112.3	S1585	T1581-S1585 WeakPolarHBondContact O-CB 3.42Å; T1581-S1585 PolarHBondContact O-OG 2.96Å
1582	A	30.9	Very low	30	Very low	56 Å²	56	123.8 Å²	123.8	46%	0.463	68%	0.683	S	S	.	*	H	α-helix	trans	-72.6	-36.5	176.1	0	0	0	0	0	112.4	N1578 L1579	N1578-A1582 WeakPolarHBondContact O-CB 3.49Å; L1579-A1582 PolarHBondContact O-N 3.34Å
1583	L	30.7	Very low	29.9	Very low	136 Å²	136	122.9 Å²	122.9	71%	0.712	68%	0.681	S	S	*	*	H	α-helix	trans	-84.3	-19.5	177.6	-66.4	173.3	0	0	0	113.5	L1579	L1579-L1583 HydrophobicContact CD2-CD1 4.06Å; L1579-L1583 HydrophobicContact CD2-CG 4.33Å; L1579-L1583 WeakPolarHBondContact O-CB 3.38Å; L1579-L1583 WeakPolarHBondContact O-CG 3.44Å; L1579-L1583 PolarHBondContact O-N 3.29Å
1584	S	30.3	Very low	29.8	Very low	91 Å²	91	119.8 Å²	119.8	64%	0.636	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	0.4	175.3	-56	0	0	0	0	114.3	E1580	E1580-S1584 WeakPolarHBondContact O-CB 3.37Å; E1580-S1584 PolarHBondContact O-N 3.27Å; E1580-S1584 PolarHBondContact O-OG 3.15Å
1585	S	28.8	Very low	29.8	Very low	88 Å²	88	121.8 Å²	121.8	62%	0.615	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	21	-176.2	-55.6	0	0	0	0	114.2	T1581	T1581-S1585 WeakPolarHBondContact O-CB 3.42Å; T1581-S1585 PolarHBondContact O-OG 2.96Å
1586	T	27.9	Very low	29.9	Very low	127 Å²	127	120 Å²	120	78%	0.779	67%	0.669	S	S	*	*			trans	-117.7	49.1	166.8	-41.9	0	0	0	0	110.4
1587	L	27	Very low	30.1	Very low	152 Å²	152	116.9 Å²	116.9	80%	0.796	67%	0.667	S	S	*	*	S	Bend	trans	-132.8	75.9	-175.4	-147.9	87.8	0	0	0	111.7
1588	G	27.3	Very low	30.1	Very low	68 Å²	68	112.1 Å²	112.1	70%	0.701	66%	0.655	S	S	*	*			trans	90.3	148.4	-172.2	0	0	0	0	0	112.3
1589	T	25.3	Very low	30	Very low	88 Å²	88	110.2 Å²	110.2	54%	0.54	65%	0.652	S	S	.	*			cis	-141.5	146.7	7.2	67.1	0	0	0	0	112	K973	K973-T1589 PolarHBondContact NZ-OG1 3.08Å
1590	H	29.1	Very low	29.9	Very low	186 Å²	186	112.1 Å²	112.1	86%	0.861	65%	0.652	S	S	*	*			trans	-141.4	148.7	147.9	-123.8	-73.4	0	0	0	113.5
1591	I	27	Very low	29.8	Very low	58 Å²	58	108.1 Å²	108.1	30%	0.297	64%	0.636	S	S	.	*			trans	-152.7	163.4	-166.1	-67.8	-169.4	0	0	0	104.7	K973 D997	K973-I1591 HydrophobicContact CD-CD1 3.83Å; K973-I1591 HydrophobicContact CG-CD1 4.03Å; D997-I1591 HydrophobicContact CB-CB 4.05Å; D997-I1591 HydrophobicContact CB-CG2 3.79Å
1592	R	30.3	Very low	29.8	Very low	98 Å²	98	112.1 Å²	112.1	37%	0.37	65%	0.648	S	S	.	*			cis	-119.8	-122.8	4.5	-136.7	160.1	-158.1	140.4	4.5	108.6	H972 D997 L999 L1000	H972-R1592 PolarHBondContact CD2-NH2 3.37Å; H972-R1592 PolarHBondContact NE2-NH2 3.35Å; D997-R1592 WeakPolarHBondContact OD1-CD 3.38Å; D997-R1592 IonicContact OD1-CZ 2.65Å; D997-R1592 IonicContact OD1-NE 3.26Å; D997-R1592 IonicContact OD1-NH1 2.72Å; D997-R1592 PolarHBondContact OD1-NH1 3.26Å; D997-R1592 WeakPolarHBondContact OD2-CB 3.47Å; D997-R1592 PolarHBondContact OD2-N 3.47Å; L999-R1592 PolarHBondContact O-NH1 2.88Å; L1000-R1592 VanDerWaalsContact CD2-NH2 3.34Å
1593	Q	29.3	Very low	29.9	Very low	170 Å²	170	114.7 Å²	114.7	79%	0.794	66%	0.658	S	S	*	*			cis	-139.5	137.2	-14.7	-79.9	-171.3	33.4	0	0	108.4
1594	P	28.8	Very low	30	Very low	116 Å²	116	114.8 Å²	114.8	75%	0.753	66%	0.664	S	S	*	*			trans	-104.4	161.5	148.3	35.2	-30.4	0	0	0	112
1595	N	29.5	Very low	29.9	Very low	130 Å²	130	114.7 Å²	114.7	70%	0.695	67%	0.669	S	S	*	*			trans	-50.9	157.7	-162.6	-71.7	-5.3	0	0	0	120.6
1596	A	29.3	Very low	30.4	Very low	92 Å²	92	116 Å²	116	76%	0.76	68%	0.675	S	S	*	*			trans	107.6	153.2	140.8	0	0	0	0	0	118.9
1597	P	35.5	Very low	30.7	Very low	112 Å²	112	118.8 Å²	118.8	73%	0.727	68%	0.682	S	S	*	*				-139.8	166.4	-50.8	39.2	-24.6	0	0	0	115.1
1598	S	29.3	Very low	31	Very low	96 Å²	96	117.4 Å²	117.4	67%	0.671	68%	0.679	S	S	*	*			trans	69.3	156	165.9	-103.1	0	0	0	0	117.6
1599	S	30.2	Very low	31.4	Very low	90 Å²	90	119.4 Å²	119.4	63%	0.629	68%	0.68	S	S	*	*			cis	-161.4	144.4	2.7	53.5	0	0	0	0	113.6
1600	R	32.2	Very low	31.5	Very low	140 Å²	140	119.2 Å²	119.2	53%	0.528	68%	0.683	S	S	.	*			trans	63.9	150.6	160	-53.8	-165.2	104.1	144.2	-0.4	118.9	E300 E303	E300-R1600 IonicContact OE1-CZ 2.74Å; E300-R1600 IonicContact OE1-NH1 2.74Å; E300-R1600 PolarHBondContact OE1-NH1 3.22Å; E300-R1600 IonicContact OE1-NH2 3.05Å; E303-R1600 IonicContact OE2-CZ 2.65Å; E303-R1600 IonicContact OE2-NE 2.9Å; E303-R1600 IonicContact OE2-NH2 3.56Å; E303-R1600 PolarHBondContact OE2-NH2 2.95Å
1601	D	32.2	Very low	31.5	Very low	76 Å²	76	118.9 Å²	118.9	41%	0.406	68%	0.679	S	S	.	*			cis	-161.3	-171.3	-27.5	-97.6	-23.9	0	0	0	109.4	K307	K307-D1601 VanDerWaalsContact CE-OD1 3.3Å; K307-D1601 WeakPolarHBondContact CE-OD1 3.4Å; K307-D1601 IonicContact NZ-OD1 3.93Å; K307-D1601 PolarHBondContact NZ-OD1 3.21Å; K307-D1601 IonicContact NZ-OD2 3.56Å; K307-D1601 PolarHBondContact NZ-OD2 2.95Å
1602	E	34.8	Very low	31.7	Very low	185 Å²	185	121.7 Å²	121.7	86%	0.864	70%	0.699	S	S	*	*			trans	74.4	144.2	178.2	-66.4	-164.1	86.9	0	0	118.7
1603	T	32.4	Very low	31.6	Very low	110 Å²	110	123.6 Å²	123.6	68%	0.675	72%	0.717	S	S	*	*				180	128.9	-53.5	-93.5	0	0	0	0	108.1
1604	T	32.6	Very low	31.7	Very low	138 Å²	138	121.4 Å²	121.4	85%	0.847	71%	0.706	S	S	*	*			trans	175.6	149.7	139.6	-75.6	0	0	0	0	108.9
1605	A	30.1	Very low	31.8	Very low	88 Å²	88	124.3 Å²	124.3	73%	0.727	70%	0.702	S	S	*	*			trans	-113.5	167.2	-161	0	0	0	0	0	114.5
1606	P	39.1	Very low	31.9	Very low	116 Å²	116	123 Å²	123	75%	0.753	69%	0.694	S	S	*	*			trans	-98.6	178.5	-174.8	40.1	-36.2	0	0	0	113.7
1607	M	32.6	Very low	32	Very low	186 Å²	186	122 Å²	122	92%	0.916	69%	0.693	S	S	*	*			trans	-139	155	159.8	-68	-154.8	85.5	0	0	113.3
1608	T	33.1	Very low	31.8	Very low	122 Å²	122	120.9 Å²	120.9	75%	0.748	70%	0.702	S	S	*	*			trans	-137.6	-161.5	-169.9	55.2	0	0	0	0	109
1609	P	36.8	Very low	31.9	Very low	110 Å²	110	120.3 Å²	120.3	71%	0.714	71%	0.711	S	S	*	*			cis	-129.4	-174.2	-47.2	30	-9.8	0	0	0	113.7
1610	S	28.1	Very low	31.9	Very low	85 Å²	85	120.3 Å²	120.3	59%	0.594	73%	0.725	S	S	*	*			trans	74	133.2	142.1	-165.5	0	0	0	0	120.8
1611	F	29.1	Very low	31.8	Very low	178 Å²	178	117.6 Å²	117.6	78%	0.781	74%	0.741	S	S	*	*				176.1	131.8	100.1	-100.8	-77.9	0	0	0	114
1612	T	30.4	Very low	31.6	Very low	118 Å²	118	118.2 Å²	118.2	72%	0.724	77%	0.765	S	S	*	*			trans	28.2	152.3	142.8	52.5	0	0	0	0	123.7
1613	N	28.9	Very low	31.5	Very low	138 Å²	138	113.4 Å²	113.4	74%	0.738	77%	0.765	S	S	*	*			cis	-178.5	154.9	-15.7	-164.6	36.3	0	0	0	109.8
1614	E	31.2	Very low	31.3	Very low	123 Å²	123	113 Å²	113	58%	0.575	77%	0.773	S	S	*	*			trans	29.2	146.3	146.6	-67.2	-104.4	80.8	0	0	122.3
1615	R	30.7	Very low	31.4	Very low	178 Å²	178	113.7 Å²	113.7	67%	0.672	78%	0.777	S	S	*	*			cis	-175.2	177.6	-0.9	-169.9	-166.7	-80.9	-161.3	-0.7	108.5
1616	I	30.9	Very low	31.4	Very low	101 Å²	101	114.4 Å²	114.4	52%	0.518	78%	0.777	S	S	.	*			trans	89.5	137.1	160.5	-51.8	134.1	0	0	0	115.4	T121	T121-I1616 HydrophobicContact CG2-CD1 3.65Å; T121-I1616 HydrophobicContact CG2-CG1 4.19Å; T121-I1616 HydrophobicContact CG2-CG2 4.05Å
1617	G	31.4	Very low	30.9	Very low	72 Å²	72	117.9 Å²	117.9	74%	0.742	78%	0.781	S	S	*	*			cis	160.5	144.3	-12.4	0	0	0	0	0	115.4
1618	G	31.2	Very low	30.9	Very low	88 Å²	88	113.3 Å²	113.3	91%	0.907	77%	0.767	S	S	*	*			trans	83.7	154.1	172.9	0	0	0	0	0	116.3
1619	G	30.9	Very low	30.7	Very low	84 Å²	84	115.3 Å²	115.3	87%	0.866	77%	0.772	S	S	*	*			cis	163.1	131.5	-14.1	0	0	0	0	0	115.8
1620	G	30.5	Very low	30.4	Very low	91 Å²	91	113.7 Å²	113.7	94%	0.938	78%	0.775	S	S	*	*			trans	94.8	155.5	155.9	0	0	0	0	0	119.6
1621	G	30.1	Very low	30.6	Very low	83 Å²	83	116.3 Å²	116.3	86%	0.856	79%	0.787	S	S	*	*			trans	120.3	82.8	155.5	0	0	0	0	0	118
1622	G	29.5	Very low	30.9	Very low	89 Å²	89	113.3 Å²	113.3	92%	0.918	79%	0.786	S	S	*	*			trans	-71.3	-173.2	-176.1	0	0	0	0	0	119
1623	G	31.3	Very low	31.2	Very low	84 Å²	84	113.8 Å²	113.8	87%	0.866	79%	0.791	S	S	*	*			trans	171.9	135.8	173.7	0	0	0	0	0	111.5
1624	A	28.7	Very low	31.3	Very low	102 Å²	102	111.9 Å²	111.9	84%	0.843	79%	0.788	S	S	*	*			trans	-140.6	142.7	179.3	0	0	0	0	0	110.6
1625	T	33.8	Very low	31.3	Very low	151 Å²	151	114.6 Å²	114.6	93%	0.926	80%	0.801	S	S	*	*			trans	-143.4	162.4	173.1	45.5	0	0	0	0	110.2
1626	S	30.8	Very low	31.2	Very low	104 Å²	104	111.7 Å²	111.7	73%	0.727	81%	0.808	S	S	*	*			trans	-125.1	-162.9	-170.6	-165.8	0	0	0	0	111.4
1627	F	28.5	Very low	31.2	Very low	188 Å²	188	112.3 Å²	112.3	83%	0.825	82%	0.818	S	S	*	*			trans	79.7	139.9	178	-53.2	-75.2	0	0	0	115.4
1628	S	32.2	Very low	31	Very low	91 Å²	91	119 Å²	119	64%	0.636	83%	0.827	S	S	*	*			cis	-154.8	142.2	0.9	-115	0	0	0	0	114.7
1629	I	29.6	Very low	31.1	Very low	164 Å²	164	119.9 Å²	119.9	84%	0.841	82%	0.817	S	S	*	*			trans	26.7	127.5	137.9	-55.9	170.6	0	0	0	119.8
1630	G	30.1	Very low	31	Very low	75 Å²	75	123.2 Å²	123.2	77%	0.773	82%	0.82	S	S	*	*			trans	-174	125.5	157.7	0	0	0	0	0	113
1631	T	32	Very low	31	Very low	140 Å²	140	123.6 Å²	123.6	86%	0.859	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-96.5	159.6	-175.2	17.1	0	0	0	0	113.9
1632	P	36.6	Very low	31	Very low	115 Å²	115	128.5 Å²	128.5	75%	0.747	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-99.5	156.1	-168.8	38.2	-35.3	0	0	0	115.2
1633	P	35.9	Very low	31.2	Very low	128 Å²	128	129.2 Å²	129.2	83%	0.831	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-96.7	172	159.2	37.6	-31.5	0	0	0	112.3
1634	S	30.6	Very low	31.3	Very low	99 Å²	99	133.1 Å²	133.1	69%	0.692	80%	0.8	S	S	*	*			trans	-130.3	167.8	-171.1	52.4	0	0	0	0	113.6
1635	H	31.4	Very low	31.7	Very low	179 Å²	179	137.9 Å²	137.9	83%	0.829	80%	0.798	S	S	*	*			trans	80.3	159.4	171.1	-68.6	-90.1	0	0	0	120.3
1636	S	28.8	Very low	31.8	Very low	118 Å²	118	137.4 Å²	137.4	83%	0.825	79%	0.79	S	S	*	*			trans	82.2	155.5	174.4	88.9	0	0	0	0	115.5
1637	P	31.3	Very low	32.3	Very low	114 Å²	114	140 Å²	140	74%	0.74	79%	0.794	S	S	*	*			trans	-115.8	174.9	-132.3	17.1	5.8	0	0	0	115.6	P1639	P1637-P1639 VanDerWaalsContact O-CD 3.24Å; P1637-P1639 WeakPolarHBondContact O-CD 3.46Å
1638	F	28.2	Very low	32.7	Very low	212 Å²	212	140 Å²	140	93%	0.93	79%	0.794	S	S	*	*			trans	-37.8	116.9	178.1	-77.2	-87.1	0	0	0	115.5
1639	P	32.5	Very low	32.9	Very low	106 Å²	106	138.7 Å²	138.7	69%	0.688	80%	0.795	S	S	*	*			trans	-94	140.3	145.7	34	-25	0	0	0	110	P1637 S1641	P1637-P1639 VanDerWaalsContact O-CD 3.24Å; P1637-P1639 WeakPolarHBondContact O-CD 3.46Å; P1639-S1641 PolarHBondContact O-N 2.84Å; P1639-S1641 VanDerWaalsContact O-N 3.13Å
1640	V	27.9	Very low	33.4	Very low	155 Å²	155	139.2 Å²	139.2	94%	0.939	79%	0.794	S	S	*	*			trans	-71.5	99.4	160.9	-84.4	0	0	0	0	108.3
1641	S	31.9	Very low	34.1	Very low	98 Å²	98	139.5 Å²	139.5	69%	0.685	78%	0.776	S	S	*	*			trans	-93.2	127.6	171.8	-165.2	0	0	0	0	109.9	P1639	P1639-S1641 PolarHBondContact O-N 2.84Å; P1639-S1641 VanDerWaalsContact O-N 3.13Å
1642	E	29.1	Very low	34.6	Very low	186 Å²	186	140.9 Å²	140.9	87%	0.869	78%	0.778	S	S	*	*			trans	-64.6	131.8	164.8	-67.2	167.1	118.4	0	0	108.2
1643	C	34.3	Very low	35.5	Very low	105 Å²	105	137.7 Å²	137.7	71%	0.709	76%	0.755	S	S	*	*			trans	-102.1	104.8	174.2	-67.1	0	0	0	0	108.1	Y1645	C1643-Y1645 PolarHBondContact O-N 3.41Å
1644	D	32.6	Very low	35.9	Very low	165 Å²	165	141.3 Å²	141.3	88%	0.882	76%	0.76	S	S	*	*			trans	-54.4	110.6	172	-81.2	-57.7	0	0	0	110.4	D1646	D1644-D1646 PolarHBondContact O-N 3.18Å; D1644-D1646 VanDerWaalsContact O-N 3.15Å
1645	Y	37.2	Very low	36.8	Very low	203 Å²	203	142.2 Å²	142.2	80%	0.796	77%	0.766	S	S	*	*			trans	-77.9	98.2	167.9	-94.4	-87.4	0	0	0	108.5	C1643 L1647	C1643-Y1645 PolarHBondContact O-N 3.41Å; Y1645-L1647 WeakPolarHBondContact O-CD1 3.23Å; Y1645-L1647 PolarHBondContact O-N 3.03Å
1646	D	37.1	Very low	37.7	Very low	141 Å²	141	136.3 Å²	136.3	75%	0.754	74%	0.739	S	S	*	*			trans	-51.4	105	175.6	-178	4.7	0	0	0	110.8	D1644 K1648	D1644-D1646 PolarHBondContact O-N 3.18Å; D1644-D1646 VanDerWaalsContact O-N 3.15Å; D1646-K1648 PolarHBondContact O-N 2.9Å; D1646-K1648 VanDerWaalsContact O-N 3.09Å; D1646-K1648 WeakPolarHBondContact OD1-CB 3.42Å; D1646-K1648 PolarHBondContact OD1-N 2.95Å
1647	L	40.3	Very low	39.9	Very low	157 Å²	157	135 Å²	135	82%	0.822	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	12.9	-170.5	-125.6	74.3	0	0	0	113.1	Y1645	Y1645-L1647 WeakPolarHBondContact O-CD1 3.23Å; Y1645-L1647 PolarHBondContact O-N 3.03Å
1648	K	36.4	Very low	41.9	Very low	188 Å²	188	133.9 Å²	133.9	82%	0.817	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	5.8	-162.7	-150.3	69	177.2	178.9	0	116	D1646	D1646-K1648 PolarHBondContact O-N 2.9Å; D1646-K1648 VanDerWaalsContact O-N 3.09Å; D1646-K1648 WeakPolarHBondContact OD1-CB 3.42Å; D1646-K1648 PolarHBondContact OD1-N 2.95Å
1649	G	38.3	Very low	43.9	Very low	64 Å²	64	131.1 Å²	131.1	66%	0.66	71%	0.706	S	S	*	*	S	Bend	trans	-133.3	21.5	-172.1	0	0	0	0	0	117.2
1650	Q	39.6	Very low	45.5	Very low	175 Å²	175	128.6 Å²	128.6	82%	0.818	69%	0.688	S	S	*	*	S	Bend	trans	-157.7	40.2	-172.5	-145.8	138.8	113.9	0	0	117.6
1651	M	45.2	Very low	47.4	Very low	82 Å²	82	123.8 Å²	123.8	40%	0.404	66%	0.657	S	S	.	*			trans	-158.4	91.9	164.9	-108.1	151.4	75.4	0	0	110.2	L1653 I1664 R1668	M1651-L1653 VanDerWaalsContact C-N 3.28Å; M1651-L1653 HydrophobicContact CB-CD1 4.25Å; M1651-L1653 HydrophobicContact CB-CG 4.3Å; M1651-L1653 HydrophobicContact CE-CD1 3.5Å; M1651-L1653 VanDerWaalsContact CE-CD1 3.5Å; M1651-L1653 HydrophobicContact CG-CD1 3.95Å; M1651-L1653 HydrophobicContact CG-CG 4.29Å; M1651-L1653 PolarHBondContact O-N 3.41Å; M1651-I1664 HydrophobicContact CE-CG2 4.33Å; M1651-R1668 PolarHBondContact SD-NH1 2.91Å
1652	D	41	Very low	49.5	Very low	168 Å²	168	125.7 Å²	125.7	90%	0.898	66%	0.655	S	S	*	*			trans	-73.5	83.4	169.8	-67.3	-28.1	0	0	0	109
1653	L	57	Low	51.7	Low	49 Å²	49	122.6 Å²	122.6	26%	0.257	64%	0.642	S	S	.	*			trans	-119.2	47.1	-179.1	-69.3	179.4	0	0	0	111.7	M1651 S1655 E1656 I1661	M1651-L1653 VanDerWaalsContact C-N 3.28Å; M1651-L1653 HydrophobicContact CB-CD1 4.25Å; M1651-L1653 HydrophobicContact CB-CG 4.3Å; M1651-L1653 HydrophobicContact CE-CD1 3.5Å; M1651-L1653 VanDerWaalsContact CE-CD1 3.5Å; M1651-L1653 HydrophobicContact CG-CD1 3.95Å; M1651-L1653 HydrophobicContact CG-CG 4.29Å; M1651-L1653 PolarHBondContact O-N 3.41Å; L1653-S1655 PolarHBondContact O-N 3.43Å; L1653-E1656 HydrophobicContact CD2-CG 4.18Å; L1653-I1661 HydrophobicContact CB-CD1 4.48Å
1654	E	42.9	Very low	53.5	Low	204 Å²	204	120.3 Å²	120.3	95%	0.953	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	19.3	176.3	-57.8	-164	134	0	0	113.6
1655	S	49.5	Very low	55.6	Low	117 Å²	117	116 Å²	116	82%	0.818	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145	15.1	-179	72.2	0	0	0	0	115.1	L1653	L1653-S1655 PolarHBondContact O-N 3.43Å
1656	E	51	Low	57.8	Low	56 Å²	56	113.9 Å²	113.9	26%	0.262	59%	0.592	S	S	.	*	S	Bend	trans	-108.6	154.8	174.6	-73.9	-168.7	168.2	0	0	112.2	L1653 I1661	L1653-E1656 HydrophobicContact CD2-CG 4.18Å; E1656-I1661 HydrophobicContact CB-CD1 4.21Å; E1656-I1661 HydrophobicContact CB-CG1 4.07Å
1657	D	74.6	Confident	60	Low	91 Å²	91	112.2 Å²	112.2	49%	0.487	58%	0.58	S	S	.	*			trans	-66.4	135.4	-180	-168.9	-58.5	0	0	0	111.1	E1659 V1660 I1661	D1657-E1659 PolarHBondContact O-N 3.1Å; D1657-E1659 PolarHBondContact OD1-N 3.33Å; D1657-V1660 HydrophobicContact CB-CB 4.28Å; D1657-V1660 HydrophobicContact CB-CG2 4.02Å; D1657-V1660 WeakPolarHBondContact O-CA 3.41Å; D1657-V1660 WeakPolarHBondContact O-CB 3.27Å; D1657-V1660 PolarHBondContact O-N 3.05Å; D1657-I1661 PolarHBondContact O-N 3.47Å
1658	P	74.2	Confident	61.6	Low	89 Å²	89	112.1 Å²	112.1	58%	0.578	57%	0.568	S	S	*	*	H	α-helix	trans	-57.9	-25.9	177.5	23.5	-34.9	0	0	0	114.8	Q1662	P1658-Q1662 WeakPolarHBondContact O-CB 3.38Å; P1658-Q1662 WeakPolarHBondContact O-CG 3.41Å; P1658-Q1662 PolarHBondContact O-N 2.69Å
1659	E	70.5	Confident	63.9	Low	154 Å²	154	108.9 Å²	108.9	72%	0.72	56%	0.557	S	S	*	*	H	α-helix	trans	-71.1	-38.6	170.6	-76.2	-161.3	144.1	0	0	112	D1657 Q1662 M1663	D1657-E1659 PolarHBondContact O-N 3.1Å; D1657-E1659 PolarHBondContact OD1-N 3.33Å; E1659-Q1662 PolarHBondContact O-N 2.9Å; E1659-M1663 VanDerWaalsContact O-CB 3.31Å; E1659-M1663 WeakPolarHBondContact O-CB 3.24Å; E1659-M1663 PolarHBondContact O-N 2.69Å
1660	V	65.2	Low	66.1	Low	54 Å²	54	110.5 Å²	110.5	33%	0.327	55%	0.548	S	S	.	.	H	α-helix	trans	-65.6	-44	176.1	174.2	0	0	0	0	110.4	D1657 Q1662 M1663 I1664	D1657-V1660 HydrophobicContact CB-CB 4.28Å; D1657-V1660 HydrophobicContact CB-CG2 4.02Å; D1657-V1660 WeakPolarHBondContact O-CA 3.41Å; D1657-V1660 WeakPolarHBondContact O-CB 3.27Å; D1657-V1660 PolarHBondContact O-N 3.05Å; V1660-Q1662 PolarHBondContact O-N 3.2Å; V1660-M1663 PolarHBondContact O-N 3.49Å; V1660-I1664 HydrophobicContact CG1-CD1 3.82Å; V1660-I1664 HydrophobicContact CG1-CG1 4.45Å; V1660-I1664 VanDerWaalsContact O-CG1 3.32Å; V1660-I1664 WeakPolarHBondContact O-CG1 3.32Å; V1660-I1664 PolarHBondContact O-N 3.1Å
1661	I	67.7	Low	67.8	Low	54 Å²	54	106.4 Å²	106.4	28%	0.277	53%	0.529	S	S	.	.	H	α-helix	trans	-61.4	-44.6	175.6	-63.7	172.4	0	0	0	110.6	L1653 E1656 D1657 M1663 I1664 V1665	L1653-I1661 HydrophobicContact CB-CD1 4.48Å; E1656-I1661 HydrophobicContact CB-CD1 4.21Å; E1656-I1661 HydrophobicContact CB-CG1 4.07Å; D1657-I1661 PolarHBondContact O-N 3.47Å; I1661-M1663 PolarHBondContact O-N 2.95Å; I1661-I1664 PolarHBondContact O-N 3.43Å; I1661-V1665 WeakPolarHBondContact O-CG2 3.22Å; I1661-V1665 PolarHBondContact O-N 2.97Å
1662	Q	75.6	Confident	69.4	Low	138 Å²	138	108.7 Å²	108.7	65%	0.645	54%	0.538	S	S	*	.	H	α-helix	trans	-62.7	-39.9	174.7	-78.9	-178	62.3	0	0	112.7	P1658 E1659 V1660 V1665 R1666	P1658-Q1662 WeakPolarHBondContact O-CB 3.38Å; P1658-Q1662 WeakPolarHBondContact O-CG 3.41Å; P1658-Q1662 PolarHBondContact O-N 2.69Å; E1659-Q1662 PolarHBondContact O-N 2.9Å; V1660-Q1662 PolarHBondContact O-N 3.2Å; Q1662-V1665 PolarHBondContact O-N 2.97Å; Q1662-R1666 WeakPolarHBondContact O-CB 3.41Å; Q1662-R1666 PolarHBondContact O-N 2.76Å
1663	M	75.2	Confident	71.5	Confident	120 Å²	120	108.4 Å²	108.4	59%	0.591	53%	0.529	S	S	*	.	H	α-helix	trans	-64.9	-41.6	176.7	-179.9	168.8	54.8	0	0	112	E1659 V1660 I1661 R1666 H1667	E1659-M1663 VanDerWaalsContact O-CB 3.31Å; E1659-M1663 WeakPolarHBondContact O-CB 3.24Å; E1659-M1663 PolarHBondContact O-N 2.69Å; V1660-M1663 PolarHBondContact O-N 3.49Å; I1661-M1663 PolarHBondContact O-N 2.95Å; M1663-R1666 PolarHBondContact O-N 2.93Å; M1663-H1667 WeakPolarHBondContact O-CB 3.24Å; M1663-H1667 PolarHBondContact O-N 3.35Å
1664	I	71.7	Confident	72.7	Confident	57 Å²	57	110.4 Å²	110.4	29%	0.292	54%	0.539	S	S	.	.	H	α-helix	trans	-64.5	-46.4	175.4	-69.4	166.6	0	0	0	110.9	M1651 V1660 I1661 H1667 R1668	M1651-I1664 HydrophobicContact CE-CG2 4.33Å; V1660-I1664 HydrophobicContact CG1-CD1 3.82Å; V1660-I1664 HydrophobicContact CG1-CG1 4.45Å; V1660-I1664 VanDerWaalsContact O-CG1 3.32Å; V1660-I1664 WeakPolarHBondContact O-CG1 3.32Å; V1660-I1664 PolarHBondContact O-N 3.1Å; I1661-I1664 PolarHBondContact O-N 3.43Å; I1664-H1667 PolarHBondContact O-N 3.37Å; I1664-R1668 VanDerWaalsContact O-CB 3.31Å; I1664-R1668 WeakPolarHBondContact O-CB 3.42Å; I1664-R1668 PolarHBondContact O-N 2.82Å
1665	V	78.1	Confident	74.3	Confident	75 Å²	75	105.6 Å²	105.6	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-61.3	-45.4	176.7	168.9	0	0	0	0	110.8	I1661 Q1662 R1668 M1669	I1661-V1665 WeakPolarHBondContact O-CG2 3.22Å; I1661-V1665 PolarHBondContact O-N 2.97Å; Q1662-V1665 PolarHBondContact O-N 2.97Å; V1665-R1668 PolarHBondContact O-N 2.93Å; V1665-M1669 WeakPolarHBondContact O-CB 3.42Å; V1665-M1669 PolarHBondContact O-N 2.65Å
1666	R	82.6	Confident	76	Confident	159 Å²	159	103.4 Å²	103.4	60%	0.6	50%	0.496	S	S	*	.	H	α-helix	trans	-59	-51.2	176.4	-173.9	-174.9	-161.6	123.3	3.1	111.7	Q1662 M1663 R1668 M1669 E1670	Q1662-R1666 WeakPolarHBondContact O-CB 3.41Å; Q1662-R1666 PolarHBondContact O-N 2.76Å; M1663-R1666 PolarHBondContact O-N 2.93Å; R1666-R1668 PolarHBondContact O-N 3.36Å; R1666-M1669 PolarHBondContact O-N 2.72Å; R1666-E1670 WeakPolarHBondContact CG-OE1 3.44Å; R1666-E1670 IonicContact NE-OE1 3.74Å; R1666-E1670 PolarHBondContact NE-OE1 2.89Å; R1666-E1670 WeakPolarHBondContact O-CB 3.35Å; R1666-E1670 WeakPolarHBondContact O-CG 3.38Å; R1666-E1670 PolarHBondContact O-N 2.92Å
1667	H	83.5	Confident	77.6	Confident	106 Å²	106	108.2 Å²	108.2	49%	0.491	52%	0.517	S	S	.	.	H	α-helix	trans	-62.9	-42.4	-179.9	-171.3	76.5	0	0	0	111.7	M1663 I1664 M1669 E1670 Q1671	M1663-H1667 WeakPolarHBondContact O-CB 3.24Å; M1663-H1667 PolarHBondContact O-N 3.35Å; I1664-H1667 PolarHBondContact O-N 3.37Å; H1667-M1669 VanDerWaalsContact C-N 3.33Å; H1667-M1669 PolarHBondContact O-N 3.26Å; H1667-E1670 PolarHBondContact O-N 3.37Å; H1667-Q1671 PolarHBondContact NE2-NE2 3.04Å; H1667-Q1671 WeakPolarHBondContact O-CB 3.35Å; H1667-Q1671 VanDerWaalsContact O-CG 3.26Å; H1667-Q1671 WeakPolarHBondContact O-CG 3.09Å; H1667-Q1671 PolarHBondContact O-N 2.85Å
1668	R	74.5	Confident	77.9	Confident	154 Å²	154	109 Å²	109	58%	0.581	52%	0.517	S	S	*	.	H	α-helix	trans	-64.4	-37.1	177.5	-166.6	179.1	-70	174.4	1.5	112	M1651 I1664 V1665 R1666 H1672	M1651-R1668 PolarHBondContact SD-NH1 2.91Å; I1664-R1668 VanDerWaalsContact O-CB 3.31Å; I1664-R1668 WeakPolarHBondContact O-CB 3.42Å; I1664-R1668 PolarHBondContact O-N 2.82Å; V1665-R1668 PolarHBondContact O-N 2.93Å; R1666-R1668 PolarHBondContact O-N 3.36Å; R1668-H1672 PolarHBondContact O-N 3.17Å
1669	M	83.1	Confident	78.4	Confident	120 Å²	120	112.4 Å²	112.4	59%	0.591	52%	0.519	S	S	*	.	H	α-helix	trans	-68.7	-40.9	173.3	-179.5	175.6	57.5	0	0	112.4	V1665 R1666 H1667 H1672 K1673	V1665-M1669 WeakPolarHBondContact O-CB 3.42Å; V1665-M1669 PolarHBondContact O-N 2.65Å; R1666-M1669 PolarHBondContact O-N 2.72Å; H1667-M1669 VanDerWaalsContact C-N 3.33Å; H1667-M1669 PolarHBondContact O-N 3.26Å; M1669-H1672 PolarHBondContact O-N 3.46Å; M1669-K1673 WeakPolarHBondContact O-CB 3.46Å; M1669-K1673 PolarHBondContact O-N 2.64Å
1670	E	84.6	Confident	78.9	Confident	99 Å²	99	109 Å²	109	46%	0.463	51%	0.508	S	S	.	.	H	α-helix	trans	-64.5	-40.4	175.6	-74.3	170.6	-174.7	0	0	111.6	R1666 H1667 K1673 L1674	R1666-E1670 WeakPolarHBondContact CG-OE1 3.44Å; R1666-E1670 IonicContact NE-OE1 3.74Å; R1666-E1670 PolarHBondContact NE-OE1 2.89Å; R1666-E1670 WeakPolarHBondContact O-CB 3.35Å; R1666-E1670 WeakPolarHBondContact O-CG 3.38Å; R1666-E1670 PolarHBondContact O-N 2.92Å; H1667-E1670 PolarHBondContact O-N 3.37Å; E1670-K1673 PolarHBondContact O-N 2.72Å; E1670-L1674 WeakPolarHBondContact O-CB 2.97Å; E1670-L1674 PolarHBondContact O-N 2.69Å
1671	Q	75.6	Confident	79.7	Confident	89 Å²	89	110.3 Å²	110.3	42%	0.416	51%	0.511	S	S	.	.	H	α-helix	trans	-61.2	-47.1	171.3	-70.3	-72.4	-2	0	0	112.1	H1667 K1673 L1674 L1675	H1667-Q1671 PolarHBondContact NE2-NE2 3.04Å; H1667-Q1671 WeakPolarHBondContact O-CB 3.35Å; H1667-Q1671 VanDerWaalsContact O-CG 3.26Å; H1667-Q1671 WeakPolarHBondContact O-CG 3.09Å; H1667-Q1671 PolarHBondContact O-N 2.85Å; Q1671-K1673 VanDerWaalsContact C-N 3.31Å; Q1671-K1673 PolarHBondContact O-N 3.03Å; Q1671-L1674 PolarHBondContact O-N 3.45Å; Q1671-L1675 WeakPolarHBondContact O-CG 3.32Å; Q1671-L1675 PolarHBondContact O-N 3.33Å
1672	H	79.3	Confident	80	Confident	130 Å²	130	111.8 Å²	111.8	60%	0.602	52%	0.518	S	S	*	.	H	α-helix	trans	-61.6	-40.6	177.3	-164.1	-84.2	0	0	0	111.8	R1668 M1669 L1674 L1675 E1676	R1668-H1672 PolarHBondContact O-N 3.17Å; M1669-H1672 PolarHBondContact O-N 3.46Å; H1672-L1674 VanDerWaalsContact C-N 3.34Å; H1672-L1674 PolarHBondContact O-N 3.36Å; H1672-L1675 PolarHBondContact O-N 2.86Å; H1672-E1676 PolarHBondContact O-N 3.45Å
1673	K	84.5	Confident	80.1	Confident	162 Å²	162	109 Å²	109	70%	0.704	51%	0.505	S	S	*	.	H	α-helix	trans	-66.7	-33	176.5	-168	169.7	-174.1	170.1	0	112.7	M1669 E1670 Q1671 K1677	M1669-K1673 WeakPolarHBondContact O-CB 3.46Å; M1669-K1673 PolarHBondContact O-N 2.64Å; E1670-K1673 PolarHBondContact O-N 2.72Å; Q1671-K1673 VanDerWaalsContact C-N 3.31Å; Q1671-K1673 PolarHBondContact O-N 3.03Å; K1673-K1677 VanDerWaalsContact O-CB 3.3Å; K1673-K1677 WeakPolarHBondContact O-CB 3.3Å; K1673-K1677 PolarHBondContact O-N 3.04Å; K1673-K1677 VanDerWaalsContact O-N 3.11Å
1674	L	83	Confident	80.2	Confident	90 Å²	90	110.3 Å²	110.3	47%	0.471	50%	0.504	S	S	.	.	H	α-helix	trans	-72	-42.9	173.6	-175.8	61.3	0	0	0	111.8	E1670 Q1671 H1672 K1677 Q1678	E1670-L1674 WeakPolarHBondContact O-CB 2.97Å; E1670-L1674 PolarHBondContact O-N 2.69Å; Q1671-L1674 PolarHBondContact O-N 3.45Å; H1672-L1674 VanDerWaalsContact C-N 3.34Å; H1672-L1674 PolarHBondContact O-N 3.36Å; L1674-K1677 PolarHBondContact O-N 2.85Å; L1674-Q1678 WeakPolarHBondContact O-CG 3.44Å; L1674-Q1678 PolarHBondContact O-N 2.91Å
1675	L	76.5	Confident	80.4	Confident	104 Å²	104	111.5 Å²	111.5	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-62.7	-46.2	176.3	-74.2	169.3	0	0	0	112	Q1671 H1672 K1677 Q1678 R1679	Q1671-L1675 WeakPolarHBondContact O-CG 3.32Å; Q1671-L1675 PolarHBondContact O-N 3.33Å; H1672-L1675 PolarHBondContact O-N 2.86Å; L1675-K1677 VanDerWaalsContact C-N 3.33Å; L1675-K1677 PolarHBondContact O-N 2.86Å; L1675-Q1678 PolarHBondContact O-N 3.37Å; L1675-R1679 PolarHBondContact O-N 2.82Å
1676	E	84	Confident	80	Confident	70 Å²	70	114.7 Å²	114.7	33%	0.327	51%	0.514	S	S	.	.	H	α-helix	trans	-67.6	-34.9	177.3	-168.1	56.2	-140.2	0	0	111.2	H1672 Q1678 R1679 V1680	H1672-E1676 PolarHBondContact O-N 3.45Å; E1676-Q1678 PolarHBondContact O-N 3.49Å; E1676-R1679 PolarHBondContact O-N 3.41Å; E1676-R1679 WeakPolarHBondContact OE1-CD 3.48Å; E1676-R1679 IonicContact OE1-NH1 2.9Å; E1676-R1679 WeakPolarHBondContact OE2-CD 3.47Å; E1676-R1679 IonicContact OE2-CZ 2.67Å; E1676-R1679 IonicContact OE2-NE 2.58Å; E1676-R1679 IonicContact OE2-NH1 2.84Å; E1676-R1679 PolarHBondContact OE2-NH1 2.86Å; E1676-V1680 WeakPolarHBondContact O-CB 3.5Å; E1676-V1680 WeakPolarHBondContact O-CG2 3.45Å; E1676-V1680 PolarHBondContact O-N 3.2Å
1677	K	85.8	Confident	79.4	Confident	158 Å²	158	110.7 Å²	110.7	69%	0.687	51%	0.51	S	S	*	.	H	α-helix	trans	-62.4	-39.6	170.9	-173.2	178.5	179.6	-176.1	0	112.5	K1673 L1674 L1675 E1681	K1673-K1677 VanDerWaalsContact O-CB 3.3Å; K1673-K1677 WeakPolarHBondContact O-CB 3.3Å; K1673-K1677 PolarHBondContact O-N 3.04Å; K1673-K1677 VanDerWaalsContact O-N 3.11Å; L1674-K1677 PolarHBondContact O-N 2.85Å; L1675-K1677 VanDerWaalsContact C-N 3.33Å; L1675-K1677 PolarHBondContact O-N 2.86Å; K1677-E1681 PolarHBondContact O-N 3.14Å
1678	Q	81.1	Confident	78.9	Confident	108 Å²	108	111.4 Å²	111.4	51%	0.505	51%	0.512	S	S	.	.	H	α-helix	trans	-66.2	-43	173.5	-73	-178	9.6	0	0	111.6	L1674 L1675 E1676 E1681 I1682	L1674-Q1678 WeakPolarHBondContact O-CG 3.44Å; L1674-Q1678 PolarHBondContact O-N 2.91Å; L1675-Q1678 PolarHBondContact O-N 3.37Å; E1676-Q1678 PolarHBondContact O-N 3.49Å; Q1678-E1681 PolarHBondContact O-N 2.57Å; Q1678-I1682 WeakPolarHBondContact O-CB 3.37Å; Q1678-I1682 VanDerWaalsContact O-CG1 3.25Å; Q1678-I1682 WeakPolarHBondContact O-CG1 3.48Å; Q1678-I1682 PolarHBondContact O-N 3.43Å
1679	R	84.2	Confident	78.1	Confident	160 Å²	160	110.6 Å²	110.6	60%	0.604	52%	0.518	S	S	*	.	H	α-helix	trans	-59.1	-47.3	175.7	-174.3	-172.4	178.3	-167.3	0.6	111.6	L1675 E1676 I1682 E1683	L1675-R1679 PolarHBondContact O-N 2.82Å; E1676-R1679 PolarHBondContact O-N 3.41Å; E1676-R1679 WeakPolarHBondContact OE1-CD 3.48Å; E1676-R1679 IonicContact OE1-NH1 2.9Å; E1676-R1679 WeakPolarHBondContact OE2-CD 3.47Å; E1676-R1679 IonicContact OE2-CZ 2.67Å; E1676-R1679 IonicContact OE2-NE 2.58Å; E1676-R1679 IonicContact OE2-NH1 2.84Å; E1676-R1679 PolarHBondContact OE2-NH1 2.86Å; R1679-I1682 PolarHBondContact O-N 2.65Å; R1679-E1683 WeakPolarHBondContact O-CB 3.33Å; R1679-E1683 PolarHBondContact O-N 3.25Å
1680	V	81.1	Confident	76.2	Confident	82 Å²	82	113.8 Å²	113.8	50%	0.497	52%	0.523	S	S	.	.	H	α-helix	trans	-63.9	-41.6	178.1	170.5	0	0	0	0	111.7	E1676 E1683 R1684	E1676-V1680 WeakPolarHBondContact O-CB 3.5Å; E1676-V1680 WeakPolarHBondContact O-CG2 3.45Å; E1676-V1680 PolarHBondContact O-N 3.2Å; V1680-E1683 PolarHBondContact O-N 3.28Å; V1680-R1684 WeakPolarHBondContact O-CB 3.24Å; V1680-R1684 PolarHBondContact O-N 3.46Å
1681	E	81	Confident	73.9	Confident	81 Å²	81	114.9 Å²	114.9	38%	0.379	54%	0.537	S	S	.	.	H	α-helix	trans	-71.2	-34.9	175.7	-166.9	60.6	-136.9	0	0	112.1	K1677 Q1678 R1684 L1685 K1688	K1677-E1681 PolarHBondContact O-N 3.14Å; Q1678-E1681 PolarHBondContact O-N 2.57Å; E1681-R1684 PolarHBondContact O-N 2.84Å; E1681-R1684 WeakPolarHBondContact OE2-CD 3.34Å; E1681-L1685 HydrophobicContact CG-CD1 4.18Å; E1681-L1685 HydrophobicContact CG-CG 4.4Å; E1681-L1685 WeakPolarHBondContact O-CB 3.43Å; E1681-L1685 VanDerWaalsContact O-CG 3.23Å; E1681-L1685 WeakPolarHBondContact O-CG 3.47Å; E1681-L1685 PolarHBondContact O-N 3.4Å; E1681-K1688 IonicContact OE1-NZ 3.09Å; E1681-K1688 PolarHBondContact OE1-NZ 3.4Å; E1681-K1688 VanDerWaalsContact OE1-NZ 3.1Å
1682	I	75.3	Confident	72.2	Confident	86 Å²	86	116.1 Å²	116.1	44%	0.441	55%	0.552	S	S	.	*	H	α-helix	trans	-62.1	-43.8	172.3	-72.6	166.1	0	0	0	110.7	Q1678 R1679 L1685 R1686	Q1678-I1682 WeakPolarHBondContact O-CB 3.37Å; Q1678-I1682 VanDerWaalsContact O-CG1 3.25Å; Q1678-I1682 WeakPolarHBondContact O-CG1 3.48Å; Q1678-I1682 PolarHBondContact O-N 3.43Å; R1679-I1682 PolarHBondContact O-N 2.65Å; I1682-L1685 PolarHBondContact O-N 2.9Å; I1682-R1686 WeakPolarHBondContact O-CB 3.27Å; I1682-R1686 VanDerWaalsContact O-CG 3.27Å; I1682-R1686 WeakPolarHBondContact O-CG 3.44Å; I1682-R1686 PolarHBondContact O-N 3.42Å
1683	E	77.4	Confident	69.9	Low	79 Å²	79	118.3 Å²	118.3	37%	0.369	56%	0.555	S	S	.	*	H	α-helix	trans	-73.5	-30.7	179.3	-149.8	56.1	-132.1	0	0	111.8	R1679 V1680 R1686 S1687	R1679-E1683 WeakPolarHBondContact O-CB 3.33Å; R1679-E1683 PolarHBondContact O-N 3.25Å; V1680-E1683 PolarHBondContact O-N 3.28Å; E1683-R1686 PolarHBondContact O-N 3.21Å; E1683-R1686 WeakPolarHBondContact OE2-CD 3.26Å; E1683-R1686 IonicContact OE2-CZ 3.32Å; E1683-R1686 IonicContact OE2-NH1 2.68Å; E1683-R1686 PolarHBondContact OE2-NH1 2.82Å; E1683-R1686 VanDerWaalsContact OE2-NH1 3.1Å; E1683-S1687 VanDerWaalsContact O-CB 3.27Å; E1683-S1687 WeakPolarHBondContact O-CB 3.1Å; E1683-S1687 PolarHBondContact O-N 2.91Å; E1683-S1687 PolarHBondContact O-OG 3.49Å
1684	R	77.7	Confident	67.5	Low	148 Å²	148	115.1 Å²	115.1	56%	0.558	56%	0.559	S	S	*	*	H	α-helix	trans	-66.2	-39.8	169.1	-174.3	174.4	-179.6	76.2	-3.7	112	V1680 E1681 S1687 K1688	V1680-R1684 WeakPolarHBondContact O-CB 3.24Å; V1680-R1684 PolarHBondContact O-N 3.46Å; E1681-R1684 PolarHBondContact O-N 2.84Å; E1681-R1684 WeakPolarHBondContact OE2-CD 3.34Å; R1684-S1687 PolarHBondContact O-N 3.38Å; R1684-K1688 WeakPolarHBondContact O-CD 3.29Å; R1684-K1688 VanDerWaalsContact O-CG 3.22Å; R1684-K1688 WeakPolarHBondContact O-CG 3.5Å; R1684-K1688 PolarHBondContact O-N 3.1Å
1685	L	76	Confident	65.3	Low	82 Å²	82	117 Å²	117	43%	0.429	57%	0.574	S	S	.	*	H	α-helix	trans	-68.2	-42.9	173.3	-73.4	166.7	0	0	0	111.6	E1681 I1682 S1687 K1688 I1689	E1681-L1685 HydrophobicContact CG-CD1 4.18Å; E1681-L1685 HydrophobicContact CG-CG 4.4Å; E1681-L1685 WeakPolarHBondContact O-CB 3.43Å; E1681-L1685 VanDerWaalsContact O-CG 3.23Å; E1681-L1685 WeakPolarHBondContact O-CG 3.47Å; E1681-L1685 PolarHBondContact O-N 3.4Å; I1682-L1685 PolarHBondContact O-N 2.9Å; L1685-S1687 VanDerWaalsContact C-N 3.31Å; L1685-S1687 PolarHBondContact O-N 3.28Å; L1685-K1688 HydrophobicContact CD2-CD 4.22Å; L1685-K1688 PolarHBondContact O-N 2.95Å; L1685-I1689 WeakPolarHBondContact O-CB 3.41Å; L1685-I1689 VanDerWaalsContact O-CG1 3.29Å; L1685-I1689 WeakPolarHBondContact O-CG1 3.33Å; L1685-I1689 PolarHBondContact O-N 2.83Å
1686	R	69.3	Low	63.3	Low	142 Å²	142	117.4 Å²	117.4	54%	0.536	59%	0.586	S	S	.	*	H	α-helix	trans	-60.2	-40.2	172.1	-74.4	167.4	169.4	-166.3	-4.8	112.2	I1682 E1683 I1689 R1690	I1682-R1686 WeakPolarHBondContact O-CB 3.27Å; I1682-R1686 VanDerWaalsContact O-CG 3.27Å; I1682-R1686 WeakPolarHBondContact O-CG 3.44Å; I1682-R1686 PolarHBondContact O-N 3.42Å; E1683-R1686 PolarHBondContact O-N 3.21Å; E1683-R1686 WeakPolarHBondContact OE2-CD 3.26Å; E1683-R1686 IonicContact OE2-CZ 3.32Å; E1683-R1686 IonicContact OE2-NH1 2.68Å; E1683-R1686 PolarHBondContact OE2-NH1 2.82Å; E1683-R1686 VanDerWaalsContact OE2-NH1 3.1Å; R1686-I1689 PolarHBondContact O-N 3.24Å; R1686-R1690 WeakPolarHBondContact O-CB 3.47Å; R1686-R1690 PolarHBondContact O-N 2.95Å
1687	S	70	Confident	61	Low	74 Å²	74	120.7 Å²	120.7	52%	0.517	61%	0.61	S	S	.	*	H	α-helix	trans	-69.1	-35.6	176.3	-58.8	0	0	0	0	112.6	E1683 R1684 L1685 I1689	E1683-S1687 VanDerWaalsContact O-CB 3.27Å; E1683-S1687 WeakPolarHBondContact O-CB 3.1Å; E1683-S1687 PolarHBondContact O-N 2.91Å; E1683-S1687 PolarHBondContact O-OG 3.49Å; R1684-S1687 PolarHBondContact O-N 3.38Å; L1685-S1687 VanDerWaalsContact C-N 3.31Å; L1685-S1687 PolarHBondContact O-N 3.28Å; S1687-I1689 VanDerWaalsContact C-N 3.33Å
1688	K	73.2	Confident	58.4	Low	121 Å²	121	119.3 Å²	119.3	53%	0.526	61%	0.61	S	S	.	*	H	α-helix	trans	-66.2	-32.2	171	-72	160.1	179.9	166.2	0	112.7	E1681 R1684 L1685	E1681-K1688 IonicContact OE1-NZ 3.09Å; E1681-K1688 PolarHBondContact OE1-NZ 3.4Å; E1681-K1688 VanDerWaalsContact OE1-NZ 3.1Å; R1684-K1688 WeakPolarHBondContact O-CD 3.29Å; R1684-K1688 VanDerWaalsContact O-CG 3.22Å; R1684-K1688 WeakPolarHBondContact O-CG 3.5Å; R1684-K1688 PolarHBondContact O-N 3.1Å; L1685-K1688 HydrophobicContact CD2-CD 4.22Å; L1685-K1688 PolarHBondContact O-N 2.95Å
1689	I	56.7	Low	56.4	Low	137 Å²	137	120.5 Å²	120.5	70%	0.703	63%	0.628	S	S	*	*	H	α-helix	trans	-85.5	-28.9	-179.3	-68	165.6	0	0	0	111.9	L1685 R1686 S1687 V1691	L1685-I1689 WeakPolarHBondContact O-CB 3.41Å; L1685-I1689 VanDerWaalsContact O-CG1 3.29Å; L1685-I1689 WeakPolarHBondContact O-CG1 3.33Å; L1685-I1689 PolarHBondContact O-N 2.83Å; R1686-I1689 PolarHBondContact O-N 3.24Å; S1687-I1689 VanDerWaalsContact C-N 3.33Å; I1689-V1691 VanDerWaalsContact C-N 3.32Å; I1689-V1691 PolarHBondContact O-N 3.28Å
1690	R	43	Very low	54.1	Low	187 Å²	187	120.6 Å²	120.6	71%	0.706	64%	0.635	S	S	*	*			trans	-79.8	76.8	175.1	-174.6	-177.4	-90	148.3	-10.2	110.8	R1686 P1692	R1686-R1690 WeakPolarHBondContact O-CB 3.47Å; R1686-R1690 PolarHBondContact O-N 2.95Å; R1690-P1692 WeakPolarHBondContact O-CD 3.44Å
1691	V	37.7	Very low	51.8	Low	123 Å²	123	124.2 Å²	124.2	75%	0.745	65%	0.648	S	S	*	*			trans	-66.4	120.3	162.9	-179.9	0	0	0	0	108.6	I1689 R1693	I1689-V1691 VanDerWaalsContact C-N 3.32Å; I1689-V1691 PolarHBondContact O-N 3.28Å; V1691-R1693 PolarHBondContact O-N 3.32Å
1692	P	39	Very low	49.7	Very low	114 Å²	114	128.4 Å²	128.4	74%	0.74	67%	0.671	S	S	*	*			trans	-85.2	112.3	-179.1	32.1	-31.2	0	0	0	111	R1690	R1690-P1692 WeakPolarHBondContact O-CD 3.44Å
1693	R	30.6	Very low	47.7	Very low	177 Å²	177	126.9 Å²	126.9	67%	0.668	68%	0.677	S	S	*	*			trans	-102.7	77.7	165.7	-170.6	169.7	-179.8	158.8	-7.8	110	P1545 A1546 V1691	P1545-R1693 PolarHBondContact O-NH2 3.09Å; A1546-R1693 PolarHBondContact O-NH1 2.85Å; V1691-R1693 PolarHBondContact O-N 3.32Å
1694	A	35.7	Very low	45.7	Very low	95 Å²	95	130.4 Å²	130.4	79%	0.785	70%	0.698	S	S	*	*			trans	-111.9	123.9	170.3	0	0	0	0	0	108.5
1695	T	36.7	Very low	43.8	Very low	130 Å²	130	130.1 Å²	130.1	80%	0.798	71%	0.708	S	S	*	*			trans	-110.6	130.3	-178.4	37.8	0	0	0	0	110.6
1696	S	33.1	Very low	41.9	Very low	111 Å²	111	135 Å²	135	78%	0.776	73%	0.728	S	S	*	*			trans	-33.1	127.8	-178.9	-178.2	0	0	0	0	117.4
1697	V	36	Very low	40.5	Very low	139 Å²	139	132.4 Å²	132.4	84%	0.842	74%	0.738	S	S	*	*				-151.8	137.9	129.8	-106.8	0	0	0	0	109.5
1698	N	32.5	Very low	39	Very low	130 Å²	130	135.2 Å²	135.2	70%	0.695	75%	0.747	S	S	*	*			trans	-81.9	151.8	178.8	-75.3	-2.5	0	0	0	111.9
1699	P	38.6	Very low	37.2	Very low	133 Å²	133	134.6 Å²	134.6	86%	0.864	75%	0.753	S	S	*	*				-104.1	143.5	124.7	-12.4	29.9	0	0	0	110.7
1700	E	35.4	Very low	36.3	Very low	161 Å²	161	133.8 Å²	133.8	75%	0.752	76%	0.755	S	S	*	*			trans	-114.3	171.2	-173.1	-161.6	175.8	145.3	0	0	111.3
1701	M	32.9	Very low	35.6	Very low	158 Å²	158	131.9 Å²	131.9	78%	0.778	76%	0.758	S	S	*	*			trans	82.4	142.7	170.5	-62.5	-69.2	-67.2	0	0	118.9
1702	I	36.9	Very low	35.2	Very low	169 Å²	169	132.3 Å²	132.3	87%	0.867	76%	0.761	S	S	*	*			trans	68.5	116.6	176.5	-43.3	171.2	0	0	0	113.9
1703	G	32.8	Very low	34.8	Very low	54 Å²	54	131 Å²	131	56%	0.557	76%	0.76	S	S	*	*			cis	163.2	143.2	-4.6	0	0	0	0	0	110.6
1704	D	36.7	Very low	34.8	Very low	153 Å²	153	129.6 Å²	129.6	82%	0.818	77%	0.765	S	S	*	*			trans	63.7	138.4	162.7	-35.7	-29.4	0	0	0	116.8
1705	D	37.7	Very low	34.4	Very low	142 Å²	142	133.2 Å²	133.2	76%	0.759	77%	0.765	S	S	*	*			cis	-156.2	172.2	-5.4	-127.7	-29.3	0	0	0	111.5
1706	E	36.3	Very low	34	Very low	184 Å²	184	133.1 Å²	133.1	86%	0.86	77%	0.77	S	S	*	*			trans	7.1	139.9	166.9	-59.4	-164.3	131.9	0	0	121.4
1707	A	39.4	Very low	33.9	Very low	89 Å²	89	131.8 Å²	131.8	74%	0.736	77%	0.766	S	S	*	*			cis	-164	-158.4	-4.3	0	0	0	0	0	107.1
1708	D	38.1	Very low	33.7	Very low	133 Å²	133	132.7 Å²	132.7	71%	0.711	77%	0.765	S	S	*	*			cis	-157.7	130	3.6	-157.4	39.7	0	0	0	107.7
1709	T	35.9	Very low	33.9	Very low	107 Å²	107	129.6 Å²	129.6	66%	0.656	76%	0.764	S	S	*	*				57.7	124.2	96.4	-38.6	0	0	0	0	114.5
1710	T	37	Very low	33.8	Very low	121 Å²	121	130.7 Å²	130.7	74%	0.742	76%	0.762	S	S	*	*			cis	-148.9	156.7	21.5	-17	0	0	0	0	115
1711	L	29.7	Very low	33.8	Very low	146 Å²	146	127.2 Å²	127.2	76%	0.764	76%	0.761	S	S	*	*			trans	-16.6	140.4	149.9	-64	160.5	0	0	0	117.5
1712	T	28.2	Very low	34	Very low	133 Å²	133	124.9 Å²	124.9	82%	0.816	76%	0.76	S	S	*	*				76.7	111.2	55.1	-54.7	0	0	0	0	115.1
1713	A	30.2	Very low	33.9	Very low	87 Å²	87	124.5 Å²	124.5	72%	0.719	76%	0.759	S	S	*	*			trans	-158.8	130.3	161.6	0	0	0	0	0	114.3
1714	L	30.7	Very low	34	Very low	147 Å²	147	126 Å²	126	77%	0.77	76%	0.761	S	S	*	*			trans	41.5	122.9	141	-51.1	174.8	0	0	0	120.3
1715	Q	28.1	Very low	34.2	Very low	170 Å²	170	126.1 Å²	126.1	79%	0.794	76%	0.761	S	S	*	*			cis	89.4	145.5	48.2	-76.9	-172.2	-30.4	0	0	116.2
1716	S	28.1	Very low	34.2	Very low	128 Å²	128	125.1 Å²	125.1	90%	0.895	76%	0.763	S	S	*	*			trans	72.6	144.1	171.9	79.7	0	0	0	0	116
1717	A	30	Very low	34.2	Very low	83 Å²	83	120.8 Å²	120.8	69%	0.686	76%	0.758	S	S	*	*			cis	-159.2	175.7	-6.6	0	0	0	0	0	108.6
1718	L	33.4	Very low	34	Very low	159 Å²	159	122.1 Å²	122.1	83%	0.832	76%	0.762	S	S	*	*			cis	-108.4	-129.8	3.8	-59.7	76	0	0	0	110.3
1719	G	35.9	Very low	34.2	Very low	64 Å²	64	121.2 Å²	121.2	66%	0.66	76%	0.764	S	S	*	*			cis	94.5	142.9	9	0	0	0	0	0	113.3
1720	N	36.7	Very low	34.4	Very low	156 Å²	156	121.4 Å²	121.4	83%	0.834	77%	0.766	S	S	*	*			cis	-156.8	165	8.4	-88	-14.3	0	0	0	108.4
1721	A	35.9	Very low	34.5	Very low	89 Å²	89	121.7 Å²	121.7	74%	0.736	77%	0.77	S	S	*	*			cis	-175.6	161.6	-11.9	0	0	0	0	0	107.5
1722	S	36.4	Very low	34.6	Very low	108 Å²	108	121.4 Å²	121.4	76%	0.755	77%	0.77	S	S	*	*			cis	-174.4	-160.8	-21	-167.7	0	0	0	0	108.9
1723	L	34.3	Very low	34.8	Very low	161 Å²	161	120.9 Å²	120.9	84%	0.843	77%	0.766	S	S	*	*			trans	87.2	93.5	-175.8	-53	173	0	0	0	114.1
1724	S	35.9	Very low	35	Very low	86 Å²	86	124.7 Å²	124.7	60%	0.601	77%	0.769	S	S	*	*			cis	84.1	119.8	32.4	87.2	0	0	0	0	114.4
1725	L	40.3	Very low	35	Very low	156 Å²	156	122.3 Å²	122.3	82%	0.817	76%	0.761	S	S	*	*				-177	-178.7	77	-78.4	167.7	0	0	0	109.9
1726	P	38.3	Very low	35.2	Very low	121 Å²	121	119.8 Å²	119.8	79%	0.786	76%	0.758	S	S	*	*				-128.6	-168	-52.8	39.4	-21.8	0	0	0	112.8
1727	A	35.9	Very low	35.3	Very low	93 Å²	93	123 Å²	123	77%	0.769	76%	0.755	S	S	*	*			trans	-154.3	179.2	-171	0	0	0	0	0	117.5
1728	S	35.4	Very low	35.5	Very low	116 Å²	116	125.7 Å²	125.7	81%	0.811	76%	0.763	S	S	*	*			trans	80.6	173.4	164.3	-35.7	0	0	0	0	117.5
1729	P	41.5	Very low	35.4	Very low	115 Å²	115	124.7 Å²	124.7	75%	0.747	76%	0.759	S	S	*	*			cis	-134	-151.8	-8	40.4	-19.8	0	0	0	113.1
1730	P	41.2	Very low	35.1	Very low	110 Å²	110	126.9 Å²	126.9	71%	0.714	76%	0.759	S	S	*	*				-116.9	-165.1	-60	35.6	-16.5	0	0	0	112.3
1731	P	37.8	Very low	34.7	Very low	127 Å²	127	125.8 Å²	125.8	83%	0.825	76%	0.758	S	S	*	*				-139.8	164.7	104.9	40	-29.9	0	0	0	114.3
1732	N	31.5	Very low	34.4	Very low	141 Å²	141	126.7 Å²	126.7	75%	0.754	75%	0.754	S	S	*	*			trans	-165.4	140.7	178.9	-140.9	11.9	0	0	0	113.6
1733	T	32.9	Very low	34	Very low	122 Å²	122	129 Å²	129	75%	0.748	76%	0.757	S	S	*	*			trans	58.4	153.7	154.5	51.7	0	0	0	0	119.4
1734	E	33.8	Very low	34.1	Very low	166 Å²	166	126.4 Å²	126.4	78%	0.776	75%	0.75	S	S	*	*			cis	-154.8	-176.2	11.3	-96.6	-126.5	103.2	0	0	107.6
1735	T	31.6	Very low	33.7	Very low	98 Å²	98	126.8 Å²	126.8	60%	0.601	75%	0.752	S	S	*	*			cis	177.5	168.1	-34.7	-72.9	0	0	0	0	107.5
1736	T	33.3	Very low	33.1	Very low	117 Å²	117	126 Å²	126	72%	0.718	75%	0.748	S	S	*	*			trans	86.4	107.8	168	-40.2	0	0	0	0	114.8
1737	K	29.4	Very low	32.6	Very low	194 Å²	194	126 Å²	126	84%	0.843	75%	0.746	S	S	*	*				89.1	154.1	60.6	-80.7	-175.3	174	179.2	0	115.1
1738	V	33.3	Very low	32.3	Very low	140 Å²	140	129.4 Å²	129.4	85%	0.848	75%	0.751	S	S	*	*			trans	84.5	142	169.3	-173.1	0	0	0	0	116
1739	N	31.4	Very low	32	Very low	139 Å²	139	127.9 Å²	127.9	74%	0.743	75%	0.745	S	S	*	*			cis	-167.2	154.2	-44.5	-140.9	25.5	0	0	0	111
1740	T	31.4	Very low	31.5	Very low	109 Å²	109	128.7 Å²	128.7	67%	0.669	75%	0.748	S	S	*	*			trans	51.7	108	149.4	-49.5	0	0	0	0	122.3
1741	T	28.2	Very low	31	Very low	134 Å²	134	132.9 Å²	132.9	82%	0.822	75%	0.75	S	S	*	*			trans	-169.2	149.1	140.3	11.1	0	0	0	0	106.5
1742	V	29.2	Very low	30.7	Very low	107 Å²	107	135.2 Å²	135.2	65%	0.648	75%	0.751	S	S	*	*			cis	69.6	91.1	22.2	-170.6	0	0	0	0	114.6
1743	I	27.6	Very low	30.8	Very low	157 Å²	157	133.6 Å²	133.6	81%	0.805	75%	0.747	S	S	*	*			trans	49.9	131.1	140.4	-51.9	172.7	0	0	0	118.1
1744	P	35.6	Very low	30.8	Very low	107 Å²	107	134.4 Å²	134.4	70%	0.695	74%	0.744	S	S	*	*			cis	-136.3	-153.5	-21.5	39.9	-18.4	0	0	0	111.9
1745	S	28.2	Very low	30.7	Very low	93 Å²	93	131.2 Å²	131.2	65%	0.65	74%	0.74	S	S	*	*			trans	53.3	128.9	144.2	-66.7	0	0	0	0	123.5
1746	D	27.4	Very low	30.8	Very low	139 Å²	139	134.9 Å²	134.9	74%	0.743	75%	0.75	S	S	*	*			trans	44.6	124.9	130.6	-64.6	-56.6	0	0	0	123
1747	V	27.5	Very low	30.7	Very low	122 Å²	122	134.2 Å²	134.2	74%	0.739	75%	0.75	S	S	*	*				59.2	119	129	-178.9	0	0	0	0	119.1
1748	L	29.1	Very low	30.9	Very low	165 Å²	165	129.8 Å²	129.8	86%	0.864	74%	0.744	S	S	*	*				-170.1	153.5	108.2	-158.7	59.9	0	0	0	112.4
1749	A	30.4	Very low	30.7	Very low	84 Å²	84	128.6 Å²	128.6	69%	0.694	74%	0.737	S	S	*	*			trans	-110.5	156.2	177.6	0	0	0	0	0	113.3
1750	T	30.8	Very low	30.8	Very low	131 Å²	131	131.1 Å²	131.1	80%	0.804	74%	0.741	S	S	*	*			trans	-156.5	118.5	161.2	-69.5	0	0	0	0	107.5
1751	R	29.5	Very low	30.7	Very low	199 Å²	199	130.6 Å²	130.6	75%	0.751	74%	0.742	S	S	*	*			cis	95.4	98.7	25.9	-167.6	-163.7	179.9	-167.1	2.7	114.7	M1754	R1751-M1754 PolarHBondContact NE-O 2.58Å; R1751-M1754 PolarHBondContact NH2-O 3.25Å
1752	M	32.9	Very low	30.8	Very low	175 Å²	175	129.3 Å²	129.3	86%	0.862	74%	0.739	S	S	*	*			trans	-150.8	139.5	147.6	-74.1	-157.7	176.1	0	0	108.3
1753	T	32.2	Very low	30.9	Very low	108 Å²	108	130.7 Å²	130.7	66%	0.663	74%	0.742	S	S	*	*			cis	-161.1	151.1	-8.9	13.6	0	0	0	0	108.7
1754	M	34.1	Very low	31	Very low	139 Å²	139	128.7 Å²	128.7	69%	0.685	74%	0.737	S	S	*	*			cis	-113.1	-60.2	-4.1	-53.7	-178.7	-177.7	0	0	111.7	R1751	R1751-M1754 PolarHBondContact NE-O 2.58Å; R1751-M1754 PolarHBondContact NH2-O 3.25Å
1755	S	31.9	Very low	30.7	Very low	99 Å²	99	127.9 Å²	127.9	69%	0.692	73%	0.734	S	S	*	*			cis	-169.9	127.7	-36.7	31.5	0	0	0	0	107.4
1756	Q	33.8	Very low	30.7	Very low	175 Å²	175	129.1 Å²	129.1	82%	0.818	74%	0.738	S	S	*	*			cis	-140.5	141.9	-16.7	-122.7	-169.9	109.2	0	0	107.7
1757	S	31.4	Very low	30.8	Very low	102 Å²	102	127.4 Å²	127.4	71%	0.713	74%	0.737	S	S	*	*			trans	38.8	136.8	156.5	55.3	0	0	0	0	120.6
1758	S	32.8	Very low	30.9	Very low	101 Å²	101	125.9 Å²	125.9	71%	0.706	73%	0.731	S	S	*	*			cis	170.1	161	10.1	44.5	0	0	0	0	107.6
1759	T	28.9	Very low	30.8	Very low	116 Å²	116	129.1 Å²	129.1	71%	0.712	73%	0.732	S	S	*	*			cis	-172.8	171.4	-9.7	32.7	0	0	0	0	107.2
1760	K	33.2	Very low	30.8	Very low	192 Å²	192	132.3 Å²	132.3	84%	0.835	73%	0.732	S	S	*	*			trans	76.1	151.7	160.3	-69.7	167.5	-178.2	174	0	117.3
1761	S	29.3	Very low	30.8	Very low	98 Å²	98	135.6 Å²	135.6	69%	0.685	73%	0.73	S	S	*	*			cis	177.4	149.9	-32.8	-104.5	0	0	0	0	108.8
1762	S	31.9	Very low	30.8	Very low	107 Å²	107	130 Å²	130	75%	0.748	72%	0.715	S	S	*	*			trans	71	159.1	155.1	89.4	0	0	0	0	115
1763	N	29.6	Very low	30.8	Very low	136 Å²	136	128 Å²	128	73%	0.727	71%	0.708	S	S	*	*			cis	-159.7	173.6	-1.6	-137	5.4	0	0	0	112.4
1764	V	30.6	Very low	30.7	Very low	114 Å²	114	128.9 Å²	128.9	69%	0.691	70%	0.704	S	S	*	*				21.5	133.8	129.7	165.7	0	0	0	0	117.9
1765	S	30.3	Very low	30.8	Very low	91 Å²	91	126.8 Å²	126.8	64%	0.636	70%	0.703	S	S	*	*			cis	178.5	-177.7	-1.5	-97.7	0	0	0	0	110
1766	V	27.7	Very low	30.8	Very low	119 Å²	119	125.8 Å²	125.8	72%	0.721	70%	0.701	S	S	*	*			trans	40	93.3	135.1	177.7	0	0	0	0	116
1767	S	29.5	Very low	31.2	Very low	103 Å²	103	123.2 Å²	123.2	72%	0.72	70%	0.7	S	S	*	*				68.9	162.2	125.6	-53.5	0	0	0	0	120
1768	S	28.8	Very low	31.5	Very low	90 Å²	90	122.9 Å²	122.9	63%	0.629	70%	0.695	S	S	*	*			trans	67.5	119.2	141.7	68.9	0	0	0	0	117.4
1769	R	28.3	Very low	31.7	Very low	232 Å²	232	129.2 Å²	129.2	88%	0.875	70%	0.703	S	S	*	*			trans	74.5	138.6	142.7	-67.3	167.6	-178.6	179.1	0.8	114.5
1770	H	29.8	Very low	32	Very low	152 Å²	152	130.2 Å²	130.2	70%	0.704	70%	0.7	S	S	*	*			cis	157.8	160	1.2	-157.6	-52.5	0	0	0	100.3
1771	R	29.6	Very low	32.2	Very low	199 Å²	199	128.9 Å²	128.9	75%	0.751	70%	0.696	S	S	*	*			trans	73.9	152.9	162.8	-56.2	-169.1	133.8	134.5	8	115.6
1772	D	31.3	Very low	32.4	Very low	82 Å²	82	131.1 Å²	131.1	44%	0.439	70%	0.696	S	S	.	*			cis	-162.9	163.6	-20.8	-98.3	-19.6	0	0	0	105.3	Q1774	D1772-Q1774 PolarHBondContact OD1-NE2 3.36Å; D1772-Q1774 PolarHBondContact OD2-NE2 3.26Å; D1772-Q1774 VanDerWaalsContact OD2-NE2 3.11Å
1773	N	31.9	Very low	32.7	Very low	133 Å²	133	133.4 Å²	133.4	71%	0.711	69%	0.694	S	S	*	*			cis	-123.2	148.1	10.4	-86.8	-59.6	0	0	0	109
1774	Q	30.8	Very low	32.7	Very low	126 Å²	126	135.4 Å²	135.4	59%	0.589	70%	0.699	S	S	*	*				61.9	144.8	57.4	-61.6	-173.6	41.2	0	0	113.6	D1772	D1772-Q1774 PolarHBondContact OD1-NE2 3.36Å; D1772-Q1774 PolarHBondContact OD2-NE2 3.26Å; D1772-Q1774 VanDerWaalsContact OD2-NE2 3.11Å
1775	S	35.3	Very low	33	Very low	95 Å²	95	134.6 Å²	134.6	66%	0.664	70%	0.696	S	S	*	*			cis	-128.3	146.7	-6.2	-97.4	0	0	0	0	109
1776	A	32.1	Very low	33.2	Very low	79 Å²	79	138.3 Å²	138.3	65%	0.653	70%	0.703	S	S	*	*			cis	72.5	163.7	36	0	0	0	0	0	112.3
1777	P	42.9	Very low	33.7	Very low	120 Å²	120	138.4 Å²	138.4	78%	0.779	71%	0.706	S	S	*	*				-118.2	-115.8	-110.8	23.8	1.5	0	0	0	108.7
1778	P	37.6	Very low	34	Very low	96 Å²	96	138.8 Å²	138.8	62%	0.623	71%	0.706	S	S	*	*			cis	-129	177.1	-35.2	41	-26.1	0	0	0	113.8
1779	R	35.9	Very low	34.3	Very low	233 Å²	233	143.3 Å²	143.3	88%	0.879	72%	0.717	S	S	*	*			trans	159.4	156.4	141.6	-90.2	164.3	179.9	-159.8	0.2	110
1780	H	35.2	Very low	34.7	Very low	137 Å²	137	140.8 Å²	140.8	63%	0.634	72%	0.715	S	S	*	*			cis	179.8	146.1	-32.9	-132.8	-101.2	0	0	0	105.4
1781	H	37.9	Very low	35	Very low	164 Å²	164	138.8 Å²	138.8	76%	0.759	72%	0.715	S	S	*	*			trans	62.6	174.1	171.9	-58.1	-64.4	0	0	0	116.6
1782	H	34.3	Very low	35	Very low	146 Å²	146	137.1 Å²	137.1	68%	0.676	72%	0.716	S	S	*	*			cis	-179	159	-46.2	-156.3	47.4	0	0	0	106.6
1783	H	37	Very low	34.9	Very low	155 Å²	155	139.5 Å²	139.5	72%	0.718	73%	0.728	S	S	*	*			trans	67.8	123.6	-179.7	-45.8	-53.4	0	0	0	115.1
1784	Q	30.5	Very low	34.7	Very low	178 Å²	178	141.1 Å²	141.1	83%	0.832	73%	0.731	S	S	*	*				46.1	143.7	73.1	-85.4	-163.7	-16.5	0	0	115.5
1785	P	37	Very low	34.8	Very low	96 Å²	96	141.7 Å²	141.7	62%	0.623	74%	0.738	S	S	*	*			cis	-138.2	-153.2	-34.3	35.1	-13.6	0	0	0	111.9
1786	H	33.5	Very low	34.8	Very low	169 Å²	169	143.4 Å²	143.4	78%	0.782	74%	0.735	S	S	*	*			trans	80.7	127.1	171	-64.2	-75.2	0	0	0	119.7
1787	P	39.2	Very low	35	Very low	121 Å²	121	149.4 Å²	149.4	79%	0.786	74%	0.742	S	S	*	*			trans	-94.9	146.6	162.8	36.9	-31.3	0	0	0	112.2
1788	P	35.2	Very low	35	Very low	111 Å²	111	151.8 Å²	151.8	72%	0.721	74%	0.743	S	S	*	*			trans	-142.3	141.9	144.8	27.7	-8.5	0	0	0	115.1
1789	H	35.8	Very low	35.2	Very low	186 Å²	186	152.7 Å²	152.7	86%	0.861	75%	0.749	S	S	*	*			trans	56.2	123.1	146.9	-74	-90.6	0	0	0	122.4
1790	H	36.1	Very low	35.3	Very low	179 Å²	179	146.8 Å²	146.8	83%	0.829	74%	0.741	S	S	*	*			trans	-32	154	139.2	-85.7	-74.4	0	0	0	113.9
1791	P	35.2	Very low	35.3	Very low	110 Å²	110	148.6 Å²	148.6	71%	0.714	75%	0.75	S	S	*	*			cis	-155	178.1	49.3	46.4	-26.6	0	0	0	118.9
1792	H	30.5	Very low	35.2	Very low	163 Å²	163	146.9 Å²	146.9	76%	0.755	75%	0.746	S	S	*	*			trans	40.9	147.4	141.5	-95.1	-77	0	0	0	125.1
1793	L	28.7	Very low	35.3	Very low	133 Å²	133	147.4 Å²	147.4	70%	0.696	75%	0.748	S	S	*	*			trans	83.2	87.1	146.4	-68.3	160.5	0	0	0	120.6
1794	Q	28.2	Very low	35.4	Very low	167 Å²	167	145.7 Å²	145.7	78%	0.78	75%	0.749	S	S	*	*				53.9	109.7	99.8	-169.1	171.8	10.6	0	0	119.6
1795	N	32.6	Very low	35.8	Very low	137 Å²	137	142.8 Å²	142.8	73%	0.733	75%	0.749	S	S	*	*			trans	-177.5	155.8	157.9	-94.1	-18.5	0	0	0	108.2
1796	H	36.5	Very low	35.5	Very low	131 Å²	131	143.1 Å²	143.1	61%	0.606	76%	0.759	S	S	*	*			cis	-164.1	-179.1	-8.3	-119.3	-14.8	0	0	0	109.9
1797	Y	35.6	Very low	35.5	Very low	205 Å²	205	141.3 Å²	141.3	80%	0.804	76%	0.76	S	S	*	*			trans	74.4	120	173	-53	-76.6	0	0	0	116.2
1798	H	42.6	Very low	34.9	Very low	170 Å²	170	139 Å²	139	79%	0.787	75%	0.751	S	S	*	*			cis	72.5	147.8	24.4	-68.1	-55.9	0	0	0	116.8
1799	P	41.5	Very low	35	Very low	115 Å²	115	137.3 Å²	137.3	75%	0.747	74%	0.74	S	S	*	*			cis	-101.8	-148.7	-4	42.9	-35	0	0	0	111
1800	P	37.3	Very low	35.4	Very low	110 Å²	110	134.9 Å²	134.9	71%	0.714	74%	0.743	S	S	*	*			cis	-113.2	-165.1	-25.9	44.4	-29.9	0	0	0	110.6
1801	Q	36.1	Very low	36.2	Very low	175 Å²	175	131.2 Å²	131.2	82%	0.818	74%	0.735	S	S	*	*			cis	87.3	138.3	4.1	-63	-173.9	19.6	0	0	119
1802	N	35	Very low	36	Very low	128 Å²	128	130.2 Å²	130.2	68%	0.684	73%	0.73	S	S	*	*			cis	-169	176.5	-27.2	-137.5	-9.9	0	0	0	112
1803	H	38.3	Very low	36.4	Very low	156 Å²	156	125.6 Å²	125.6	72%	0.722	72%	0.72	S	S	*	*			trans	91.2	102.9	157.8	-57.7	-60.8	0	0	0	124.1
1804	T	37.7	Very low	36.8	Very low	119 Å²	119	127.4 Å²	127.4	73%	0.73	73%	0.727	S	S	*	*				60.4	98.5	127.7	59.7	0	0	0	0	124
1805	S	38.7	Very low	37.3	Very low	118 Å²	118	124.7 Å²	124.7	83%	0.825	72%	0.722	S	S	*	*				43.5	111.1	122.6	63.4	0	0	0	0	122
1806	A	31.4	Very low	37.5	Very low	103 Å²	103	126.1 Å²	126.1	85%	0.851	72%	0.724	S	S	*	*			trans	-146	164.6	152.5	0	0	0	0	0	110.3
1807	T	33	Very low	37.1	Very low	130 Å²	130	126.3 Å²	126.3	80%	0.798	73%	0.729	S	S	*	*			trans	-97.4	109.9	-162.2	-47.2	0	0	0	0	114.2
1808	A	26.9	Very low	36.8	Very low	72 Å²	72	124.7 Å²	124.7	60%	0.595	73%	0.729	S	S	*	*			trans	-133.2	137.3	149.8	0	0	0	0	0	107.5	A1813	A1808-A1813 VanDerWaalsContact CB-O 3.28Å; A1808-A1813 WeakPolarHBondContact CB-O 3.34Å
1809	P	36.8	Very low	36.1	Very low	76 Å²	76	120 Å²	120	49%	0.494	72%	0.72	S	S	.	*			trans	-124.7	-140.3	-143.1	28.3	-4.3	0	0	0	110.5	P1811	P1809-P1811 HydrophobicContact CG-CG 3.97Å
1810	C	44	Very low	35.6	Very low	136 Å²	136	121.1 Å²	121.1	92%	0.919	72%	0.724	S	S	*	*	S	Bend	trans	-65.5	-50.9	153.6	165.2	0	0	0	0	110.8
1811	P	54.3	Low	35.3	Very low	101 Å²	101	120 Å²	120	66%	0.656	72%	0.719	S	S	*	*	S	Bend	trans	-84.1	-106.1	177.1	28.7	-32.9	0	0	0	116.5	P1809	P1809-P1811 HydrophobicContact CG-CG 3.97Å
1812	S	31.3	Very low	35.1	Very low	89 Å²	89	117.4 Å²	117.4	62%	0.622	71%	0.711	S	S	*	*			trans	-94.5	130.5	-148.4	-48.3	0	0	0	0	118.8
1813	A	37.2	Very low	34.9	Very low	66 Å²	66	118 Å²	118	55%	0.545	71%	0.714	S	S	.	*				64.2	171.9	129.9	0	0	0	0	0	119.7	A1808	A1808-A1813 VanDerWaalsContact CB-O 3.28Å; A1808-A1813 WeakPolarHBondContact CB-O 3.34Å
1814	M	38.2	Very low	34.5	Very low	171 Å²	171	117.5 Å²	117.5	84%	0.842	72%	0.716	S	S	*	*			cis	-164.1	168	-5.6	-140.6	-178.9	176.2	0	0	112.3
1815	V	37.7	Very low	34.4	Very low	111 Å²	111	117.2 Å²	117.2	67%	0.673	71%	0.714	S	S	*	*			trans	70.5	155.4	148.2	154	0	0	0	0	119.5
1816	Q	36.6	Very low	34.3	Very low	167 Å²	167	118.6 Å²	118.6	78%	0.78	71%	0.713	S	S	*	*			cis	-180	-158.9	-34.8	-150.5	174.7	-4.5	0	0	107.8
1817	L	29.7	Very low	35	Very low	135 Å²	135	118.7 Å²	118.7	71%	0.707	70%	0.704	S	S	*	*			trans	81.4	137	175.8	-47	-179.9	0	0	0	114.2
1818	Q	28.5	Very low	35.2	Very low	170 Å²	170	118.8 Å²	118.8	79%	0.794	70%	0.699	S	S	*	*			cis	-160.4	165.1	-4	-124.9	163.1	-9.2	0	0	107.3
1819	A	29.1	Very low	35.8	Very low	73 Å²	73	122.3 Å²	122.3	60%	0.603	70%	0.703	S	S	*	*			cis	-161.2	176.7	11.2	0	0	0	0	0	111.1
1820	V	29.7	Very low	35.9	Very low	137 Å²	137	125.8 Å²	125.8	83%	0.83	71%	0.713	S	S	*	*			trans	54.8	125.1	139.5	169.7	0	0	0	0	118.6
1821	S	31.7	Very low	35.9	Very low	86 Å²	86	124 Å²	124	60%	0.601	70%	0.699	S	S	*	*			cis	-173.5	162.2	-4.6	-122.5	0	0	0	0	112.3
1822	N	30.8	Very low	35.2	Very low	121 Å²	121	124 Å²	124	65%	0.647	70%	0.7	S	S	*	*			trans	55.4	119	140.3	-57.5	7.2	0	0	0	121.6
1823	N	31.3	Very low	35.7	Very low	142 Å²	142	127.6 Å²	127.6	76%	0.759	71%	0.706	S	S	*	*				62.3	150.9	129	-40.8	-18.7	0	0	0	118.3
1824	N	31	Very low	35.9	Very low	144 Å²	144	130.2 Å²	130.2	77%	0.77	72%	0.717	S	S	*	*			cis	-171	165.2	20.7	-149.4	-0.8	0	0	0	112.7
1825	V	35.1	Very low	35.9	Very low	114 Å²	114	127.5 Å²	127.5	69%	0.691	71%	0.71	S	S	*	*			trans	50.1	110.4	161	-121.9	0	0	0	0	122.4
1826	N	36	Very low	35.8	Very low	147 Å²	147	126.7 Å²	126.7	79%	0.786	71%	0.71	S	S	*	*				7.3	164.1	105.7	-92	-13.2	0	0	0	119.9
1827	P	46.8	Very low	35.7	Very low	104 Å²	104	123 Å²	123	68%	0.675	70%	0.702	S	S	*	*			cis	-136.5	-145.9	31.5	30.4	-2.3	0	0	0	113.1
1828	L	36.6	Very low	35.9	Very low	132 Å²	132	124.6 Å²	124.6	69%	0.691	71%	0.706	S	S	*	*			cis	-168.3	123.2	14.6	-167.4	67.2	0	0	0	115.5
1829	H	39	Very low	36.2	Very low	147 Å²	147	123.4 Å²	123.4	68%	0.681	70%	0.704	S	S	*	*			trans	68.3	156	148.2	-76.5	28.2	0	0	0	121.1
1830	Q	40.5	Very low	36.7	Very low	148 Å²	148	125.1 Å²	125.1	69%	0.692	71%	0.709	S	S	*	*			cis	-177.2	-177	-18.5	-109.1	-171	8.1	0	0	108.3
1831	P	43.5	Very low	36.9	Very low	98 Å²	98	123.3 Å²	123.3	64%	0.636	70%	0.7	S	S	*	*			cis	-129.5	-141.1	-48.9	39.9	-20.4	0	0	0	109.4
1832	P	39.5	Very low	36.9	Very low	103 Å²	103	124.5 Å²	124.5	67%	0.669	70%	0.696	S	S	*	*				-107.1	155.2	-54.2	37.3	-23.9	0	0	0	112
1833	H	41.2	Very low	37	Very low	164 Å²	164	127.2 Å²	127.2	76%	0.759	74%	0.735	S	S	*	*				60.5	146	58.8	-67.4	-54.9	0	0	0	115.3
1834	P	42.4	Very low	37.3	Very low	120 Å²	120	126.5 Å²	126.5	78%	0.779	73%	0.734	S	S	*	*			cis	-113.3	150.4	19.5	8.1	17.7	0	0	0	115.1
1835	V	37.4	Very low	37.6	Very low	114 Å²	114	125.5 Å²	125.5	69%	0.691	73%	0.732	S	S	*	*				73.8	130	68.4	176.1	0	0	0	0	111.5
1836	S	36	Very low	37.8	Very low	94 Å²	94	126.2 Å²	126.2	66%	0.657	73%	0.734	S	S	*	*			cis	-160.4	149.5	36.8	-151.7	0	0	0	0	117.4
1837	S	35.1	Very low	37.9	Very low	90 Å²	90	124.9 Å²	124.9	63%	0.629	73%	0.731	S	S	*	*			trans	45.9	150.3	131.1	67	0	0	0	0	124.6
1838	Q	33.2	Very low	37.3	Very low	169 Å²	169	126.3 Å²	126.3	79%	0.79	73%	0.734	S	S	*	*			cis	-162.6	147.6	-12.8	-101.4	172.8	-7.7	0	0	107
1839	I	34.9	Very low	37.4	Very low	145 Å²	145	125.9 Å²	125.9	74%	0.744	74%	0.737	S	S	*	*				78.9	140	56	-91.8	171.6	0	0	0	113.2
1840	P	39.8	Very low	37.2	Very low	108 Å²	108	124.4 Å²	124.4	70%	0.701	74%	0.741	S	S	*	*				-136.9	-107.2	-55.2	28.5	-1.9	0	0	0	115.7
1841	P	33.7	Very low	37	Very low	100 Å²	100	122.5 Å²	122.5	65%	0.649	75%	0.745	S	S	*	*				-130.9	-154.7	-114.9	42.5	-20.4	0	0	0	115
1842	Q	31.3	Very low	36.4	Very low	111 Å²	111	124.6 Å²	124.6	52%	0.519	75%	0.754	S	S	.	*			trans	88.1	130.6	-178.1	-55.3	175.2	39.5	0	0	112.5	Q1276	Q1276-Q1842 VanDerWaalsContact NE2-NE2 3.15Å
1843	A	32.7	Very low	36.2	Very low	177 Å²	177	126.5 Å²	126.5	100%	1.463	76%	0.762	S	S	*	*			cis	-84.5	0	1.2	0	0	0	0	0	113.5

Retrieved 1,843 of 1,843 residues in 1630.3 ms (Link to these results)

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