A0A087XLU9_POEFO Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession A0A087XLU9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,148 aa.

						>A0A087XLU9_POEFO|A0A087XLU9
MFGGEDEDGDFLSPTGGAKLASLFGLDQESSQGNESFQYTAPKQPRKTTAQAAESQKQPAGPAVLLASAVQAFKYINGQYMKQGKLGAAVLGNHATREYKLLLYLSQQKQVTAARIHVGFIFTVQLNNYCTFYDDQRQNWSLMFDSEKNASDFCKEVCLAKANSSSSLESVVTQDVILGEGQAVETGDSMEVVYTGWLLQNHAIGQMFDSNQNKDKLLRLKLGAGKVIKGWEEGMLGMKKAGRRLIIIPPSLAYGAKGVPNRVPANSTLIFEVELRRVKFSKDSGSDQASASSRESAAPSPAPSPAPSVESLTSEPSSALGKPGEPPLRAKSNSLTEQLGNPDATKAKLISRMAKMGQPMLPFLTGAAGQPESSDSELEDTSISRVKDGPVAPPVGPITAAAPASAHAHPLPHTAPSSALLPVIPSVGPYPGLPASSHAFQTSAAPTQMQAVGQVYAPQTVPYMGSGELTNFLMTEARQHNTEIRLSIGKVADKVDQLASKISDLEKQGTQTVGVSGMTMETSMIVHNISRIVQENESLKKEMFEKSSRIEEQNRKIGDLINQNQKYMEQSHQLLEQRNDSLKSSSEHNQARLLQAEQDKVRLTEELASSTARVSQLQLEASAHQQKASKLQGELSSALEDRESRCQRITALEAQLEELKEAAERVQNQYRSEKQRRKEMELRVGAVEEELQDLKSDKENLGRALAERKKKWQAERQHRDEEVEELRRSSQQELDSLRAQLRKARTCSDSAASEQLSQLQAELEEEWRKKSEQMLAVAKEQHRRELSELVESKEALQDQLTRLQEKYSALEQHGGSVKEQLERQVSELERTVEEQQSSKDTAAEVKRVMNGVFHSLRAEFDLSESYSGQTVLGVIVTTIKNVTLQLLSGADCSSLKPDNKEEDDKDDEGEDGKQQEHSSHVHVNGEQDVQEEETVEEEHVANADHHQDNKAQMVQKVKPEPVSTSETSSQVEDSETPDTLDLHLASSAEPASQHQEPEPAVQQHQEQPAASESCTKESEVNQCVGADTKPDESPLPEEEEEAARSSEVEDEDQVGETPAAPPKGFGPPTNPPPPPTVEQNSSADDRSLIAGSKQENGEESFFQTTPPAKPPASANEEEEEDDMSLKGRPPPAPLFGEDDEDDDLDWLS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	38.3	Very low	36.4	Very low	227 Å²	227	151.6 Å²	151.6	100%	1.118	84%	0.841	S	S	*	*				0	134.8	0	-168.5	167.5	174.5	0	0	106
2	F	35.3	Very low	35.9	Very low	199 Å²	199	151.1 Å²	151.1	87%	0.873	83%	0.834	S	S	*	*			trans	67	89.4	-157.5	-59.8	-76.7	0	0	0	114.6
3	G	33.5	Very low	36.1	Very low	77 Å²	77	147.3 Å²	147.3	79%	0.794	83%	0.825	S	S	*	*				-92.2	-175	122.6	0	0	0	0	0	108.2
4	G	38.8	Very low	37.3	Very low	68 Å²	68	144.1 Å²	144.1	70%	0.701	81%	0.813	S	S	*	*			cis	-178.5	-140	1.9	0	0	0	0	0	108.6
5	E	33.2	Very low	36.7	Very low	198 Å²	198	143.5 Å²	143.5	93%	0.925	81%	0.814	S	S	*	*			trans	77.7	101.5	172.9	-60.3	173.1	168.3	0	0	115
6	D	50.2	Low	36.2	Very low	157 Å²	157	139.1 Å²	139.1	84%	0.84	81%	0.81	S	S	*	*			trans	-76.6	-154.2	154	-56.7	-85.4	0	0	0	109.8
7	E	43.3	Very low	35.8	Very low	181 Å²	181	135.2 Å²	135.2	85%	0.846	81%	0.807	S	S	*	*			trans	70.7	136.8	-171.5	-55.7	-177.4	147.4	0	0	112.4
8	D	35.7	Very low	35.8	Very low	153 Å²	153	132.8 Å²	132.8	82%	0.818	81%	0.805	S	S	*	*			cis	-151.8	176.5	-2.6	-101	-22.8	0	0	0	106.5
9	G	30.8	Very low	35.7	Very low	67 Å²	67	135.8 Å²	135.8	69%	0.691	81%	0.806	S	S	*	*			cis	159.1	-177	6.9	0	0	0	0	0	110
10	D	31.3	Very low	35.6	Very low	155 Å²	155	138.5 Å²	138.5	83%	0.829	82%	0.815	S	S	*	*			trans	-13.1	144.2	171.3	-68.8	-35.3	0	0	0	121.8
11	F	29.8	Very low	35.4	Very low	186 Å²	186	135.7 Å²	135.7	82%	0.816	81%	0.808	S	S	*	*				-152.5	118	114	-155.2	-116.1	0	0	0	114.2
12	L	30.2	Very low	35.3	Very low	145 Å²	145	130.4 Å²	130.4	76%	0.759	79%	0.793	S	S	*	*			trans	-82.7	147.2	158.8	-75.3	169.7	0	0	0	110.1
13	S	39.2	Very low	35.2	Very low	102 Å²	102	128.9 Å²	128.9	71%	0.713	79%	0.793	S	S	*	*			trans	-47.9	151.1	167	54.1	0	0	0	0	112.5
14	P	52.8	Low	35.4	Very low	102 Å²	102	134.8 Å²	134.8	66%	0.662	80%	0.797	S	S	*	*			cis	-150.6	-175.6	44	43.3	-24	0	0	0	116.7
15	T	28.3	Very low	35	Very low	135 Å²	135	135.2 Å²	135.2	83%	0.828	80%	0.802	S	S	*	*				176.6	157.8	122.2	-71.3	0	0	0	0	109.3
16	G	28.9	Very low	35.1	Very low	73 Å²	73	132.8 Å²	132.8	75%	0.753	79%	0.794	S	S	*	*			trans	-66.9	-178.3	178.6	0	0	0	0	0	114.3
17	G	28.9	Very low	34.1	Very low	73 Å²	73	133.5 Å²	133.5	75%	0.753	80%	0.798	S	S	*	*			cis	166.5	133.7	2.9	0	0	0	0	0	110.6
18	A	36.4	Very low	33.6	Very low	93 Å²	93	131.5 Å²	131.5	77%	0.769	79%	0.789	S	S	*	*			trans	36.8	104.5	168	0	0	0	0	0	119.3
19	K	33.9	Very low	33.2	Very low	189 Å²	189	131.8 Å²	131.8	82%	0.822	79%	0.786	S	S	*	*				173.7	107.8	116.3	-92.6	158	-175.5	176.2	0	112.8	A21	K19-A21 VanDerWaalsContact C-N 3.26Å; K19-A21 HydrophobicContact CB-CB 4.21Å; K19-A21 HydrophobicContact CG-CB 4Å
20	L	33	Very low	33.3	Very low	189 Å²	189	134.2 Å²	134.2	99%	0.99	79%	0.792	S	S	*	*			trans	-95.6	59.7	148.7	-72.8	179.9	0	0	0	109.4
21	A	32.1	Very low	33.2	Very low	80 Å²	80	131.3 Å²	131.3	66%	0.661	78%	0.784	S	S	*	*			trans	-105.8	61.2	176.5	0	0	0	0	0	109.9	K19	K19-A21 VanDerWaalsContact C-N 3.26Å; K19-A21 HydrophobicContact CB-CB 4.21Å; K19-A21 HydrophobicContact CG-CB 4Å
22	S	35.4	Very low	33.4	Very low	116 Å²	116	131.5 Å²	131.5	81%	0.811	79%	0.787	S	S	*	*			trans	-152.1	61.2	175.8	-152.8	0	0	0	0	112.6
23	L	32.5	Very low	33.4	Very low	167 Å²	167	128.2 Å²	128.2	87%	0.874	79%	0.788	S	S	*	*	S	Bend	trans	-146	13.2	153.7	-114	172.1	0	0	0	112.8
24	F	38.9	Very low	33.3	Very low	201 Å²	201	130.1 Å²	130.1	88%	0.882	79%	0.791	S	S	*	*			trans	-114.8	83.5	168.5	-67.9	-69.8	0	0	0	108.5
25	G	30.4	Very low	32.6	Very low	78 Å²	78	133 Å²	133	80%	0.804	80%	0.795	S	S	*	*			trans	-72.1	126	156.9	0	0	0	0	0	108.2
26	L	36	Very low	33	Very low	146 Å²	146	130.6 Å²	130.6	76%	0.764	78%	0.784	S	S	*	*			trans	-63.9	151.8	162.5	-92.2	64.8	0	0	0	108.9
27	D	27.8	Very low	33.2	Very low	172 Å²	172	137 Å²	137	92%	0.92	79%	0.791	S	S	*	*				-147.1	162.9	123.3	-117.8	-32.6	0	0	0	111
28	Q	32.3	Very low	33.5	Very low	139 Å²	139	142.2 Å²	142.2	65%	0.65	80%	0.796	S	S	*	*			trans	-122.3	134.7	-155.4	-178.5	172.9	-7.7	0	0	113.7
29	E	29.1	Very low	33.4	Very low	160 Å²	160	148.4 Å²	148.4	75%	0.748	80%	0.801	S	S	*	*			trans	68.4	147.9	157.5	-78.4	167.1	-145.4	0	0	122.3
30	S	31.2	Very low	33.5	Very low	118 Å²	118	144.8 Å²	144.8	83%	0.825	80%	0.795	S	S	*	*			trans	95.1	131.4	148.2	80.6	0	0	0	0	121.3
31	S	31.1	Very low	33.6	Very low	94 Å²	94	139.2 Å²	139.2	66%	0.657	78%	0.776	S	S	*	*			trans	78.4	122	153.1	-140	0	0	0	0	122.1
32	Q	33.2	Very low	33.7	Very low	190 Å²	190	141.7 Å²	141.7	89%	0.888	79%	0.786	S	S	*	*			trans	56.5	119.8	143.8	-68	165.7	-44.2	0	0	120.2
33	G	29.7	Very low	33.6	Very low	76 Å²	76	145.8 Å²	145.8	78%	0.784	79%	0.789	S	S	*	*			trans	174	62.5	170.3	0	0	0	0	0	117.1
34	N	36.3	Very low	34.1	Very low	142 Å²	142	146.7 Å²	146.7	76%	0.759	79%	0.789	S	S	*	*			trans	-63.5	154.9	162.5	-63.8	35.3	0	0	0	109.3
35	E	39.6	Very low	34	Very low	162 Å²	162	143 Å²	143	76%	0.757	79%	0.785	S	S	*	*			cis	-163.4	172.5	6.6	-127.9	159.2	-117.7	0	0	110.2
36	S	36.3	Very low	34.2	Very low	84 Å²	84	151 Å²	151	59%	0.587	79%	0.791	S	S	*	*			trans	53.4	98.9	160.7	-175.5	0	0	0	0	119.6
37	F	33.3	Very low	34.2	Very low	209 Å²	209	154 Å²	154	92%	0.917	80%	0.797	S	S	*	*				-177.3	118.6	106.2	-91.4	-61.5	0	0	0	109.2
38	Q	35.7	Very low	34.2	Very low	181 Å²	181	152.7 Å²	152.7	85%	0.846	80%	0.796	S	S	*	*			trans	-122.5	118	-174.2	-166.4	166.6	13.7	0	0	111.8
39	Y	32.8	Very low	34.4	Very low	223 Å²	223	152.8 Å²	152.8	88%	0.875	81%	0.806	S	S	*	*			trans	-115.1	118.2	175.2	-173	-87.4	0	0	0	109.1
40	T	36.4	Very low	34.7	Very low	113 Å²	113	149.3 Å²	149.3	69%	0.693	81%	0.805	S	S	*	*			trans	-117.6	101.8	-169.1	-43.7	0	0	0	0	111
41	A	34.9	Very low	34.6	Very low	73 Å²	73	153.1 Å²	153.1	60%	0.603	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-71.9	135.8	174.5	0	0	0	0	0	111.4
42	P	34.1	Very low	35.1	Very low	132 Å²	132	153.7 Å²	153.7	86%	0.857	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-65	140.2	177.9	-23	34.4	0	0	0	113.4
43	K	34.5	Very low	34.9	Very low	201 Å²	201	148.8 Å²	148.8	87%	0.874	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-81.8	145.5	178.5	-69.5	-177.5	177.3	179.4	0	112.4
44	Q	42.6	Very low	35.4	Very low	187 Å²	187	155.2 Å²	155.2	87%	0.874	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-69.4	141.6	165.9	-63.8	177.5	-8.4	0	0	111.3
45	P	37.2	Very low	35.2	Very low	124 Å²	124	153.7 Å²	153.7	81%	0.805	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-95.4	148.8	166.6	35.2	-31.4	0	0	0	112.4
46	R	35.3	Very low	35.1	Very low	246 Å²	246	155 Å²	155	93%	0.928	83%	0.828	S	S	*	*			trans	-129.8	132.2	162.7	-90.2	-171.7	172.5	-170.6	-0.4	110.1
47	K	35.2	Very low	34.9	Very low	207 Å²	207	160.9 Å²	160.9	90%	0.9	84%	0.843	S	S	*	*			trans	32.1	122.9	158.5	-64.5	-171.2	175	-172.4	0	119.4
48	T	27	Very low	34.7	Very low	146 Å²	146	159.5 Å²	159.5	90%	0.896	84%	0.84	S	S	*	*			trans	-125	146	147.7	39.2	0	0	0	0	110.6
49	T	37.2	Very low	34.9	Very low	140 Å²	140	156.3 Å²	156.3	86%	0.859	84%	0.835	S	S	*	*			trans	-107.8	154.8	167.3	36.4	0	0	0	0	108.2
50	A	34.9	Very low	35.5	Very low	88 Å²	88	149.2 Å²	149.2	73%	0.727	82%	0.822	S	S	*	*			cis	-159.8	164.6	-4.8	0	0	0	0	0	109
51	Q	28.6	Very low	36.7	Very low	198 Å²	198	146.5 Å²	146.5	93%	0.925	82%	0.817	S	S	*	*			trans	-172.4	159.7	135.1	-108.5	171.6	-10.9	0	0	110.7
52	A	41.4	Very low	38.9	Very low	106 Å²	106	147.1 Å²	147.1	88%	0.876	82%	0.815	S	S	*	*			trans	-85.1	130.1	178.1	0	0	0	0	0	111
53	A	30.5	Very low	41.5	Very low	86 Å²	86	143.2 Å²	143.2	71%	0.711	79%	0.794	S	S	*	*			trans	-146.9	124	165	0	0	0	0	0	108.2	S55	A53-S55 PolarHBondContact O-N 3.49Å; A53-S55 PolarHBondContact O-OG 2.92Å
54	E	40.3	Very low	44.3	Very low	211 Å²	211	138.2 Å²	138.2	99%	0.986	78%	0.78	S	S	*	*			trans	-64.6	102.5	-178.8	-66.4	-174.4	125.6	0	0	110.4
55	S	30.6	Very low	46.8	Very low	110 Å²	110	131.7 Å²	131.7	77%	0.769	75%	0.751	S	S	*	*			trans	-103.4	104.2	177.4	18.4	0	0	0	0	108.1	A53 K57	A53-S55 PolarHBondContact O-N 3.49Å; A53-S55 PolarHBondContact O-OG 2.92Å; S55-K57 PolarHBondContact O-N 2.95Å
56	Q	37.6	Very low	49.6	Very low	190 Å²	190	128.5 Å²	128.5	89%	0.888	73%	0.726	S	S	*	*			trans	-48.8	127.8	175.2	-67.9	175.8	-22.5	0	0	109.8	Q58	Q56-Q58 PolarHBondContact O-N 3.09Å
57	K	32.6	Very low	52.5	Low	207 Å²	207	119.1 Å²	119.1	90%	0.9	70%	0.701	S	S	*	*			trans	-58.4	107.3	173.3	-82.6	179.8	176.6	171.4	0	108.8	S55	S55-K57 PolarHBondContact O-N 2.95Å
58	Q	30	Very low	55.4	Low	180 Å²	180	110 Å²	110	84%	0.841	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-57.2	136	163	-70.9	-172.6	-14	0	0	108.2	Q56 A60	Q56-Q58 PolarHBondContact O-N 3.09Å; Q58-A60 PolarHBondContact O-N 3.25Å
59	P	38.6	Very low	58.7	Low	114 Å²	114	105.1 Å²	105.1	74%	0.74	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-61.3	132.3	179.3	25.6	-33.6	0	0	0	109.2	G61	P59-G61 PolarHBondContact O-N 3.24Å
60	A	46.8	Very low	61.5	Low	74 Å²	74	98.5 Å²	98.5	61%	0.612	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-55.4	129.2	176.6	0	0	0	0	0	109.6	Q58 N93	Q58-A60 PolarHBondContact O-N 3.25Å; A60-N93 PolarHBondContact O-ND2 2.88Å
61	G	60	Low	64.5	Low	57 Å²	57	95.7 Å²	95.7	59%	0.588	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-63.1	157.7	177.4	0	0	0	0	0	111.9	P59 A63	P59-G61 PolarHBondContact O-N 3.24Å; G61-A63 PolarHBondContact O-N 2.98Å
62	P	81.1	Confident	67.7	Low	86 Å²	86	86.3 Å²	86.3	56%	0.558	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-60.7	123.6	175.9	26.9	-34	0	0	0	110.3
63	A	90.4	Very high	70.4	Confident	50 Å²	50	82.8 Å²	82.8	41%	0.413	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	152.2	177	0	0	0	0	0	110.6	G61 L65 L91 G92	G61-A63 PolarHBondContact O-N 2.98Å; A63-L65 HydrophobicContact CB-CD2 4.42Å; A63-L91 CarbonylContact O-C 3.5Å; A63-L91 VanDerWaalsContact O-CA 3.26Å; A63-L91 WeakPolarHBondContact O-CA 3.46Å; A63-G92 PolarHBondContact N-O 2.91Å; A63-G92 PolarHBondContact O-N 3.26Å
64	V	93.4	Very high	73.5	Confident	96 Å²	96	81 Å²	81	58%	0.582	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	115.8	165.5	-175.5	0	0	0	0	107.2	A67 A89 L91	V64-A67 HydrophobicContact CG1-CB 4.08Å; V64-A89 HydrophobicContact CG1-CB 4.27Å; V64-L91 HydrophobicContact CB-CD2 4.16Å; V64-L91 HydrophobicContact CG1-CD2 4.33Å; V64-L91 HydrophobicContact CG2-CD2 3.72Å
65	L	94.5	Very high	76.1	Confident	50 Å²	50	76 Å²	76	26%	0.262	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-46.1	178.5	-54.9	-176.8	0	0	0	110.5	A63 V90 Y99 E156	A63-L65 HydrophobicContact CB-CD2 4.42Å; L65-V90 HydrophobicContact CD1-CG1 4.42Å; L65-V90 PolarHBondContact N-O 3.25Å; L65-Y99 HydrophobicContact CD1-CD1 3.96Å; L65-Y99 HydrophobicContact CD1-CE1 3.93Å; L65-E156 HydrophobicContact CB-CG 4.19Å; L65-E156 WeakPolarHBondContact CB-OE1 3.4Å; L65-E156 VanDerWaalsContact CD1-OE1 3.24Å; L65-E156 WeakPolarHBondContact CD1-OE1 3.41Å
66	L	96.3	Very high	79.1	Confident	56 Å²	56	74 Å²	74	29%	0.293	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	145	174.5	-177	64.6	0	0	0	110	A89 V90 D152 F153 E156	L66-A89 CarbonylContact O-C 3.51Å; L66-A89 VanDerWaalsContact O-CA 3.23Å; L66-A89 WeakPolarHBondContact O-CA 3.36Å; L66-V90 PolarHBondContact N-O 3.49Å; L66-V90 PolarHBondContact O-N 3.06Å; L66-D152 HydrophobicContact CD2-CB 4.37Å; L66-F153 HydrophobicContact CD2-CB 4.25Å; L66-F153 HydrophobicContact CD2-CD2 4.2Å; L66-E156 HydrophobicContact CB-CB 4.23Å; L66-E156 HydrophobicContact CB-CG 3.84Å; L66-E156 HydrophobicContact CD2-CB 3.86Å; L66-E156 HydrophobicContact CD2-CG 4.41Å
67	A	95.2	Very high	81.6	Confident	49 Å²	49	73 Å²	73	41%	0.405	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.4	171	0	0	0	0	0	111	V64 A88 A89	V64-A67 HydrophobicContact CG1-CB 4.08Å; A67-A88 CarbonylContact C-O 3.6Å; A67-A88 WeakPolarHBondContact CA-O 3.35Å; A67-A89 HydrophobicContact CB-CB 4.04Å
68	S	96.4	Very high	84.3	Confident	17 Å²	17	65.6 Å²	65.6	12%	0.119	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	152.4	179.2	-170.7	0	0	0	0	111.1	A88	S68-A88 PolarHBondContact N-O 3.04Å; S68-A88 PolarHBondContact O-N 3.41Å
69	A	95.7	Very high	87.3	Confident	42 Å²	42	63.6 Å²	63.6	35%	0.347	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.1	175	0	0	0	0	0	109.9
70	V	97.2	Very high	89.9	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.006	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	151.3	-175.4	-63	0	0	0	0	111.7	K85 L86 A88 L142 M143 F144	V70-K85 CarbonylContact O-C 3.56Å; V70-K85 WeakPolarHBondContact O-CA 3.46Å; V70-L86 HydrophobicContact CG2-CB 4.49Å; V70-L86 PolarHBondContact N-O 3.37Å; V70-L86 PolarHBondContact O-N 3.29Å; V70-A88 HydrophobicContact CG1-CB 4.06Å; V70-A88 HydrophobicContact CG2-CB 3.68Å; V70-L142 HydrophobicContact CB-CB 4.33Å; V70-L142 HydrophobicContact CG1-CB 4.43Å; V70-L142 HydrophobicContact CG2-CD2 4.04Å; V70-M143 WeakPolarHBondContact CA-O 3.37Å; V70-F144 HydrophobicContact CG1-CD1 3.62Å; V70-F144 HydrophobicContact CG1-CD2 4.47Å; V70-F144 HydrophobicContact CG1-CE1 3.55Å; V70-F144 HydrophobicContact CG1-CE2 4.4Å; V70-F144 HydrophobicContact CG1-CG 4.1Å; V70-F144 HydrophobicContact CG1-CZ 3.96Å
71	Q	97.1	Very high	92.2	Very high	30 Å²	30	63.3 Å²	63.3	14%	0.14	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	105.7	166.9	172	49.8	82.3	0	0	108.2	F73 G84 M143	Q71-F73 HydrophobicContact CG-CE2 3.77Å; Q71-F73 HydrophobicContact CG-CZ 3.82Å; Q71-F73 WeakPolarHBondContact O-CD2 3.42Å; Q71-F73 VanDerWaalsContact O-CE2 3.32Å; Q71-F73 WeakPolarHBondContact O-CE2 3.3Å; Q71-G84 VanDerWaalsContact NE2-C 3.31Å; Q71-G84 PolarHBondContact NE2-O 2.86Å; Q71-M143 HydrophobicContact CB-CB 4.29Å; Q71-M143 HydrophobicContact CB-CE 3.95Å; Q71-M143 HydrophobicContact CG-CE 4.13Å; Q71-M143 PolarHBondContact N-O 2.86Å; Q71-M143 PolarHBondContact O-N 3.42Å
72	A	96.9	Very high	93.9	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	149.6	-173.8	0	0	0	0	0	113.4	Q83 G84 L86 W140 S141 L142	A72-Q83 HydrophobicContact CB-CB 4.39Å; A72-Q83 PolarHBondContact O-N 2.76Å; A72-G84 PolarHBondContact N-O 2.95Å; A72-G84 VanDerWaalsContact N-O 3.08Å; A72-L86 HydrophobicContact CB-CD1 3.6Å; A72-L86 HydrophobicContact CB-CG 4.05Å; A72-W140 HydrophobicContact CB-CE3 4.48Å; A72-W140 HydrophobicContact CB-CZ3 4.43Å; A72-S141 CarbonylContact C-O 3.59Å; A72-L142 HydrophobicContact CB-CD2 3.96Å
73	F	96.8	Very high	94.5	Very high	32 Å²	32	67.2 Å²	67.2	14%	0.14	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140.2	174.6	-52.6	-102.9	0	0	0	108.9	Q71 Y80 M81 K82 Y129 W140 S141 M143	Q71-F73 HydrophobicContact CG-CE2 3.77Å; Q71-F73 HydrophobicContact CG-CZ 3.82Å; Q71-F73 WeakPolarHBondContact O-CD2 3.42Å; Q71-F73 VanDerWaalsContact O-CE2 3.32Å; Q71-F73 WeakPolarHBondContact O-CE2 3.3Å; F73-Y80 HydrophobicContact CB-CD1 4.15Å; F73-M81 WeakPolarHBondContact CA-O 3.44Å; F73-K82 HydrophobicContact CD1-CB 3.79Å; F73-K82 HydrophobicContact CD1-CG 4.08Å; F73-K82 HydrophobicContact CE1-CB 3.86Å; F73-K82 HydrophobicContact CE1-CD 4.32Å; F73-K82 HydrophobicContact CE1-CG 3.79Å; F73-K82 HydrophobicContact CZ-CG 4.47Å; F73-Y129 HydrophobicContact CD2-CE1 4.15Å; F73-Y129 AromaticContact CE2-CE1 3.73Å; F73-Y129 HydrophobicContact CE2-CE1 3.73Å; F73-Y129 HydrophobicContact CZ-CE1 4.4Å; F73-W140 WeakPolarHBondContact O-CA 3.36Å; F73-S141 PolarHBondContact N-O 2.7Å; F73-S141 PolarHBondContact O-N 3.48Å; F73-M143 HydrophobicContact CE2-CB 4.17Å
74	K	96.3	Very high	94.6	Very high	48 Å²	48	66 Å²	66	21%	0.209	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.9	179.8	175.5	175.7	165.7	162.4	0	109.9	I76 M81 Q83 W140	K74-I76 HydrophobicContact CD-CD1 4.08Å; K74-I76 HydrophobicContact CD-CG1 4.31Å; K74-I76 HydrophobicContact CG-CD1 4.18Å; K74-I76 HydrophobicContact CG-CG1 3.95Å; K74-M81 PolarHBondContact N-O 3.3Å; K74-M81 PolarHBondContact O-N 3.15Å; K74-Q83 HydrophobicContact CB-CG 3.82Å; K74-W140 HydrophobicContact CB-CD2 4.23Å; K74-W140 HydrophobicContact CB-CE3 4.04Å; K74-W140 HydrophobicContact CB-CH2 4.1Å; K74-W140 HydrophobicContact CB-CZ2 4.29Å; K74-W140 HydrophobicContact CB-CZ3 4Å; K74-W140 HydrophobicContact CD-CH2 4Å; K74-W140 HydrophobicContact CD-CZ2 3.7Å; K74-W140 HydrophobicContact CG-CD2 4.47Å; K74-W140 HydrophobicContact CG-CH2 4.43Å; K74-W140 HydrophobicContact CG-CZ2 4.17Å
75	Y	94.9	Very high	94.7	Very high	108 Å²	108	68.8 Å²	68.8	42%	0.424	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	121.9	178.5	-164.2	-111.3	0	0	0	111	G78 Y80 N139	Y75-G78 VanDerWaalsContact CE2-C 3.44Å; Y75-G78 WeakPolarHBondContact CE2-O 3.45Å; Y75-G78 WeakPolarHBondContact OH-CA 3.45Å; Y75-G78 PolarHBondContact OH-O 3.4Å; Y75-Y80 HydrophobicContact CD2-CD1 4.07Å; Y75-Y80 AromaticContact CD2-CD2 3.81Å; Y75-Y80 HydrophobicContact CD2-CD2 3.81Å; Y75-Y80 AromaticContact CD2-CE1 3.99Å; Y75-Y80 HydrophobicContact CD2-CE1 3.99Å; Y75-Y80 AromaticContact CD2-CE2 3.72Å; Y75-Y80 HydrophobicContact CD2-CE2 3.72Å; Y75-Y80 AromaticContact CD2-CG 3.98Å; Y75-Y80 HydrophobicContact CD2-CG 3.98Å; Y75-Y80 AromaticContact CD2-CZ 3.82Å; Y75-Y80 HydrophobicContact CE2-CD2 4.28Å; Y75-Y80 HydrophobicContact CE2-CE2 4.15Å; Y75-Y80 HydrophobicContact CG-CE1 4.31Å; Y75-N139 WeakPolarHBondContact CB-O 3.41Å; Y75-N139 PolarHBondContact N-O 3.4Å
76	I	93.3	Very high	94.8	Very high	67 Å²	67	66.9 Å²	66.9	34%	0.344	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	133.2	-178.8	-51.7	-179.3	0	0	0	108.4	K74 G78 Q79 M81	K74-I76 HydrophobicContact CD-CD1 4.08Å; K74-I76 HydrophobicContact CD-CG1 4.31Å; K74-I76 HydrophobicContact CG-CD1 4.18Å; K74-I76 HydrophobicContact CG-CG1 3.95Å; I76-G78 PolarHBondContact O-N 3.18Å; I76-Q79 PolarHBondContact N-O 2.8Å; I76-Q79 PolarHBondContact O-N 3.49Å; I76-M81 HydrophobicContact CB-CG 4.27Å; I76-M81 HydrophobicContact CD1-CB 4.44Å; I76-M81 HydrophobicContact CD1-CG 4.37Å; I76-M81 HydrophobicContact CG1-CG 4.48Å
77	N	89.9	Confident	94.8	Very high	169 Å²	169	64.8 Å²	64.8	90%	0.904	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	33.6	173.9	-59.2	-11.9	0	0	0	115.1
78	G	89.4	Confident	94.9	Very high	52 Å²	52	62.5 Å²	62.5	54%	0.536	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	93	-5.4	-179.5	0	0	0	0	0	115.6	Y75 I76	Y75-G78 VanDerWaalsContact CE2-C 3.44Å; Y75-G78 WeakPolarHBondContact CE2-O 3.45Å; Y75-G78 WeakPolarHBondContact OH-CA 3.45Å; Y75-G78 PolarHBondContact OH-O 3.4Å; I76-G78 PolarHBondContact O-N 3.18Å
79	Q	93.2	Very high	94.9	Very high	137 Å²	137	61.8 Å²	61.8	64%	0.64	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.9	-173.5	-167	171.9	14.2	0	0	112.7	I76 M81	I76-Q79 PolarHBondContact N-O 2.8Å; I76-Q79 PolarHBondContact O-N 3.49Å; Q79-M81 PolarHBondContact O-N 3.11Å
80	Y	92.9	Very high	95	Very high	91 Å²	91	59.8 Å²	59.8	36%	0.357	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	113.4	172.6	-80.2	-74.7	0	0	0	111.6	F73 Y75 N139	F73-Y80 HydrophobicContact CB-CD1 4.15Å; Y75-Y80 HydrophobicContact CD2-CD1 4.07Å; Y75-Y80 AromaticContact CD2-CD2 3.81Å; Y75-Y80 HydrophobicContact CD2-CD2 3.81Å; Y75-Y80 AromaticContact CD2-CE1 3.99Å; Y75-Y80 HydrophobicContact CD2-CE1 3.99Å; Y75-Y80 AromaticContact CD2-CE2 3.72Å; Y75-Y80 HydrophobicContact CD2-CE2 3.72Å; Y75-Y80 AromaticContact CD2-CG 3.98Å; Y75-Y80 HydrophobicContact CD2-CG 3.98Å; Y75-Y80 AromaticContact CD2-CZ 3.82Å; Y75-Y80 HydrophobicContact CE2-CD2 4.28Å; Y75-Y80 HydrophobicContact CE2-CE2 4.15Å; Y75-Y80 HydrophobicContact CG-CE1 4.31Å; Y80-N139 WeakPolarHBondContact CE1-OD1 3.5Å; Y80-N139 VanDerWaalsContact OH-CG 3.29Å; Y80-N139 PolarHBondContact OH-ND2 2.99Å; Y80-N139 PolarHBondContact OH-OD1 2.88Å
81	M	95.4	Very high	94.9	Very high	92 Å²	92	61 Å²	61	45%	0.453	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	118.5	178.5	-65.3	-61.6	-70.6	0	0	110.7	F73 K74 I76 Q79 Q83	F73-M81 WeakPolarHBondContact CA-O 3.44Å; K74-M81 PolarHBondContact N-O 3.3Å; K74-M81 PolarHBondContact O-N 3.15Å; I76-M81 HydrophobicContact CB-CG 4.27Å; I76-M81 HydrophobicContact CD1-CB 4.44Å; I76-M81 HydrophobicContact CD1-CG 4.37Å; I76-M81 HydrophobicContact CG1-CG 4.48Å; Q79-M81 PolarHBondContact O-N 3.11Å; M81-Q83 PolarHBondContact O-N 2.86Å; M81-Q83 PolarHBondContact O-NE2 3.14Å
82	K	95.4	Very high	94.8	Very high	142 Å²	142	59.7 Å²	59.7	62%	0.617	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.8	126.6	179.1	-170.6	-179.6	-176.7	179.4	0	111.5	F73	F73-K82 HydrophobicContact CD1-CB 3.79Å; F73-K82 HydrophobicContact CD1-CG 4.08Å; F73-K82 HydrophobicContact CE1-CB 3.86Å; F73-K82 HydrophobicContact CE1-CD 4.32Å; F73-K82 HydrophobicContact CE1-CG 3.79Å; F73-K82 HydrophobicContact CZ-CG 4.47Å
83	Q	93.4	Very high	94.6	Very high	83 Å²	83	60.5 Å²	60.5	39%	0.388	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-2.3	-179.2	-58	-58.4	-60.5	0	0	113.5	A72 K74 M81 W140	A72-Q83 HydrophobicContact CB-CB 4.39Å; A72-Q83 PolarHBondContact O-N 2.76Å; K74-Q83 HydrophobicContact CB-CG 3.82Å; M81-Q83 PolarHBondContact O-N 2.86Å; M81-Q83 PolarHBondContact O-NE2 3.14Å; Q83-W140 HydrophobicContact CB-CZ3 4.3Å; Q83-W140 HydrophobicContact CG-CH2 4.19Å; Q83-W140 HydrophobicContact CG-CZ3 3.73Å
84	G	93.3	Very high	94.3	Very high	25 Å²	25	62.4 Å²	62.4	26%	0.258	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90.3	-171.7	-176.5	0	0	0	0	0	113.7	Q71 A72	Q71-G84 VanDerWaalsContact NE2-C 3.31Å; Q71-G84 PolarHBondContact NE2-O 2.86Å; A72-G84 PolarHBondContact N-O 2.95Å; A72-G84 VanDerWaalsContact N-O 3.08Å
85	K	95.8	Very high	93.9	Very high	153 Å²	153	64.7 Å²	64.7	67%	0.665	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	123.3	-179.6	-158.1	175.3	-173.5	-179.4	0	109	V70	V70-K85 CarbonylContact O-C 3.56Å; V70-K85 WeakPolarHBondContact O-CA 3.46Å
86	L	96.3	Very high	93.7	Very high	10 Å²	10	63.2 Å²	63.2	5%	0.052	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	160	-178.7	-60.2	-175.5	0	0	0	109.9	V70 A72 L103 L105 V111	V70-L86 HydrophobicContact CG2-CB 4.49Å; V70-L86 PolarHBondContact N-O 3.37Å; V70-L86 PolarHBondContact O-N 3.29Å; A72-L86 HydrophobicContact CB-CD1 3.6Å; A72-L86 HydrophobicContact CB-CG 4.05Å; L86-L103 HydrophobicContact CD1-CB 4.16Å; L86-L103 HydrophobicContact CD1-CD1 4.34Å; L86-L105 HydrophobicContact CD2-CD1 3.8Å; L86-L105 HydrophobicContact CD2-CG 3.7Å; L86-V111 HydrophobicContact CD1-CB 4.41Å; L86-V111 HydrophobicContact CD1-CG1 4.39Å; L86-V111 HydrophobicContact CD1-CG2 4.05Å; L86-V111 HydrophobicContact CD2-CG2 4.08Å
87	G	96	Very high	93.7	Very high	13 Å²	13	65 Å²	65	13%	0.134	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	135.9	156.5	0	0	0	0	0	109.8	L103 Y104	G87-L103 WeakPolarHBondContact O-CA 3.44Å; G87-Y104 PolarHBondContact N-O 3.25Å; G87-Y104 VanDerWaalsContact O-CD1 3.3Å; G87-Y104 WeakPolarHBondContact O-CD1 3.36Å; G87-Y104 PolarHBondContact O-N 2.78Å
88	A	97.2	Very high	94	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.9	163.6	0	0	0	0	0	108.4	A67 S68 V70 L102 L103 L142 F153	A67-A88 CarbonylContact C-O 3.6Å; A67-A88 WeakPolarHBondContact CA-O 3.35Å; S68-A88 PolarHBondContact N-O 3.04Å; S68-A88 PolarHBondContact O-N 3.41Å; V70-A88 HydrophobicContact CG1-CB 4.06Å; V70-A88 HydrophobicContact CG2-CB 3.68Å; A88-L102 WeakPolarHBondContact CA-O 3.41Å; A88-L103 HydrophobicContact CB-CD2 3.58Å; A88-L142 HydrophobicContact CB-CD1 4.18Å; A88-F153 HydrophobicContact CB-CE2 4.03Å; A88-F153 HydrophobicContact CB-CZ 4.08Å
89	A	96.5	Very high	94.3	Very high	2 Å²	2	57.5 Å²	57.5	2%	0.017	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	140.6	177.5	0	0	0	0	0	111.6	V64 L66 A67 L91 L101 L102 Y104	V64-A89 HydrophobicContact CG1-CB 4.27Å; L66-A89 CarbonylContact O-C 3.51Å; L66-A89 VanDerWaalsContact O-CA 3.23Å; L66-A89 WeakPolarHBondContact O-CA 3.36Å; A67-A89 HydrophobicContact CB-CB 4.04Å; A89-L91 HydrophobicContact CB-CD2 4.02Å; A89-L101 CarbonylContact O-C 3.5Å; A89-L101 WeakPolarHBondContact O-CA 3.37Å; A89-L102 PolarHBondContact N-O 3Å; A89-L102 PolarHBondContact O-N 2.88Å; A89-Y104 HydrophobicContact CB-CE1 3.87Å
90	V	97.3	Very high	94.4	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	117.7	161.4	-175.9	0	0	0	0	107.1	L65 L66 I116 F153 E156 V157 A160	L65-V90 HydrophobicContact CD1-CG1 4.42Å; L65-V90 PolarHBondContact N-O 3.25Å; L66-V90 PolarHBondContact N-O 3.49Å; L66-V90 PolarHBondContact O-N 3.06Å; V90-I116 HydrophobicContact CG1-CD1 3.92Å; V90-F153 HydrophobicContact CG2-CD2 4.45Å; V90-F153 HydrophobicContact CG2-CE1 4.09Å; V90-F153 HydrophobicContact CG2-CE2 3.94Å; V90-F153 HydrophobicContact CG2-CZ 3.74Å; V90-E156 HydrophobicContact CB-CG 3.94Å; V90-E156 HydrophobicContact CG1-CG 4.03Å; V90-E156 HydrophobicContact CG2-CB 4.45Å; V90-E156 HydrophobicContact CG2-CG 4.12Å; V90-V157 HydrophobicContact CG2-CG2 3.85Å; V90-A160 HydrophobicContact CG1-CB 3.91Å
91	L	95.3	Very high	94.7	Very high	28 Å²	28	49.7 Å²	49.7	15%	0.147	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	144.9	174.5	-52.4	-175	0	0	0	109.5	A63 V64 A89 Y99 K100 L102	A63-L91 CarbonylContact O-C 3.5Å; A63-L91 VanDerWaalsContact O-CA 3.26Å; A63-L91 WeakPolarHBondContact O-CA 3.46Å; V64-L91 HydrophobicContact CB-CD2 4.16Å; V64-L91 HydrophobicContact CG1-CD2 4.33Å; V64-L91 HydrophobicContact CG2-CD2 3.72Å; A89-L91 HydrophobicContact CB-CD2 4.02Å; L91-Y99 CarbonylContact O-C 3.56Å; L91-Y99 VanDerWaalsContact O-CA 3.25Å; L91-Y99 WeakPolarHBondContact O-CA 3.41Å; L91-K100 PolarHBondContact N-O 2.86Å; L91-K100 PolarHBondContact O-N 3.45Å; L91-L102 HydrophobicContact CD1-CB 4.03Å; L91-L102 HydrophobicContact CD1-CD2 3.95Å; L91-L102 HydrophobicContact CG-CB 4.29Å
92	G	94.5	Very high	94.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	145.3	178.4	0	0	0	0	0	113.5	A63 E98 Y99	A63-G92 PolarHBondContact N-O 2.91Å; A63-G92 PolarHBondContact O-N 3.26Å; G92-E98 CarbonylContact C-O 3.58Å; G92-Y99 VanDerWaalsContact CA-CD1 3.43Å
93	N	93.3	Very high	94.8	Very high	18 Å²	18	40 Å²	40	10%	0.096	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	103.9	166.5	-175.8	-26.4	0	0	0	108.1	A60 A95 T96 R97 E98	A60-N93 PolarHBondContact O-ND2 2.88Å; N93-A95 PolarHBondContact O-N 3.09Å; N93-A95 WeakPolarHBondContact OD1-CB 3.47Å; N93-A95 PolarHBondContact OD1-N 2.99Å; N93-T96 WeakPolarHBondContact CB-OG1 3.42Å; N93-T96 VanDerWaalsContact CG-OG1 3.23Å; N93-T96 PolarHBondContact O-N 3.02Å; N93-T96 PolarHBondContact OD1-N 2.75Å; N93-R97 VanDerWaalsContact O-CA 3.25Å; N93-R97 WeakPolarHBondContact O-CA 3.32Å; N93-R97 PolarHBondContact O-N 3.48Å; N93-E98 PolarHBondContact N-O 3.03Å; N93-E98 PolarHBondContact O-N 3.39Å
94	H	89.9	Confident	94.8	Very high	72 Å²	72	38.9 Å²	38.9	33%	0.333	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-29.8	-177.4	-54	-57.8	0	0	0	113	Y99 H202	H94-Y99 AromaticContact ND1-CE1 3.9Å; H94-Y99 AromaticContact ND1-CZ 3.8Å; H94-Y99 PolarHBondContact ND1-OH 3.18Å; H94-H202 AromaticContact CG-CD2 3.73Å; H94-H202 AromaticContact CG-CG 3.98Å; H94-H202 AromaticContact ND1-CD2 3.89Å; H94-H202 AromaticContact ND1-CG 3.65Å
95	A	88.8	Confident	94.8	Very high	95 Å²	95	42.5 Å²	42.5	79%	0.785	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-38.2	-178.8	0	0	0	0	0	112.8	N93	N93-A95 PolarHBondContact O-N 3.09Å; N93-A95 WeakPolarHBondContact OD1-CB 3.47Å; N93-A95 PolarHBondContact OD1-N 2.99Å
96	T	91.6	Very high	94.3	Very high	78 Å²	78	37.8 Å²	37.8	48%	0.479	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-6	175.7	65.1	0	0	0	0	113.7	N93 E98	N93-T96 WeakPolarHBondContact CB-OG1 3.42Å; N93-T96 VanDerWaalsContact CG-OG1 3.23Å; N93-T96 PolarHBondContact O-N 3.02Å; N93-T96 PolarHBondContact OD1-N 2.75Å; T96-E98 PolarHBondContact O-N 2.97Å; T96-E98 VanDerWaalsContact O-N 3.14Å; T96-E98 PolarHBondContact OG1-N 3.36Å
97	R	92.9	Very high	93.4	Very high	104 Å²	104	46.9 Å²	46.9	39%	0.392	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	20.7	-168.6	-57.7	-171.9	179	106.4	3.9	114.7	N93 Y99 S165 S166	N93-R97 VanDerWaalsContact O-CA 3.25Å; N93-R97 WeakPolarHBondContact O-CA 3.32Å; N93-R97 PolarHBondContact O-N 3.48Å; R97-Y99 HydrophobicContact CB-CE2 4.37Å; R97-Y99 WeakPolarHBondContact O-CD2 3.39Å; R97-Y99 WeakPolarHBondContact O-CE2 3.48Å; R97-Y99 PolarHBondContact O-N 2.88Å; R97-S165 WeakPolarHBondContact CD-O 3.25Å; R97-S165 PolarHBondContact NE-O 3.3Å; R97-S166 PolarHBondContact NH1-OG 2.93Å
98	E	94.8	Very high	92.6	Very high	63 Å²	63	55.4 Å²	55.4	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	117.8	172.5	-68.6	-145	139.7	0	0	111.4	G92 N93 T96 K100 R115	G92-E98 CarbonylContact C-O 3.58Å; N93-E98 PolarHBondContact N-O 3.03Å; N93-E98 PolarHBondContact O-N 3.39Å; T96-E98 PolarHBondContact O-N 2.97Å; T96-E98 VanDerWaalsContact O-N 3.14Å; T96-E98 PolarHBondContact OG1-N 3.36Å; E98-K100 WeakPolarHBondContact OE2-CE 3.5Å; E98-K100 IonicContact OE2-NZ 2.73Å; E98-K100 PolarHBondContact OE2-NZ 3.49Å; E98-R115 IonicContact OE1-CZ 2.71Å; E98-R115 IonicContact OE1-NH1 3.89Å; E98-R115 PolarHBondContact OE1-NH1 3.39Å; E98-R115 IonicContact OE1-NH2 3.9Å; E98-R115 PolarHBondContact OE1-NH2 2.93Å
99	Y	96.7	Very high	92.2	Very high	1 Å²	1	61.3 Å²	61.3	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.4	171.9	-58.9	-94.5	0	0	0	110.4	L65 L91 G92 H94 R97 I116 A160 N163	L65-Y99 HydrophobicContact CD1-CD1 3.96Å; L65-Y99 HydrophobicContact CD1-CE1 3.93Å; L91-Y99 CarbonylContact O-C 3.56Å; L91-Y99 VanDerWaalsContact O-CA 3.25Å; L91-Y99 WeakPolarHBondContact O-CA 3.41Å; G92-Y99 VanDerWaalsContact CA-CD1 3.43Å; H94-Y99 AromaticContact ND1-CE1 3.9Å; H94-Y99 AromaticContact ND1-CZ 3.8Å; H94-Y99 PolarHBondContact ND1-OH 3.18Å; R97-Y99 HydrophobicContact CB-CE2 4.37Å; R97-Y99 WeakPolarHBondContact O-CD2 3.39Å; R97-Y99 WeakPolarHBondContact O-CE2 3.48Å; R97-Y99 PolarHBondContact O-N 2.88Å; Y99-I116 PolarHBondContact O-N 3.33Å; Y99-A160 HydrophobicContact CD1-CB 3.86Å; Y99-A160 HydrophobicContact CG-CB 4.02Å; Y99-N163 HydrophobicContact CE1-CB 4.23Å; Y99-N163 VanDerWaalsContact CE2-C 3.46Å; Y99-N163 HydrophobicContact CE2-CB 3.85Å; Y99-N163 VanDerWaalsContact CE2-O 3.3Å; Y99-N163 WeakPolarHBondContact CE2-O 3.3Å; Y99-N163 VanDerWaalsContact OH-CB 3.27Å; Y99-N163 WeakPolarHBondContact OH-CB 3.45Å
100	K	96.3	Very high	92	Very high	64 Å²	64	68 Å²	68	28%	0.278	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	133.5	-174.4	-63.2	173.4	-171.9	156.7	0	111.2	L91 E98 A114	L91-K100 PolarHBondContact N-O 2.86Å; L91-K100 PolarHBondContact O-N 3.45Å; E98-K100 WeakPolarHBondContact OE2-CE 3.5Å; E98-K100 IonicContact OE2-NZ 2.73Å; E98-K100 PolarHBondContact OE2-NZ 3.49Å; K100-A114 CarbonylContact C-O 3.58Å; K100-A114 VanDerWaalsContact CA-O 3.24Å; K100-A114 WeakPolarHBondContact CA-O 3.5Å
101	L	97.3	Very high	91.8	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120	165.3	-167.5	166.2	0	0	0	107.9	A89 L103 A113 A114 I116 F120 F122 F132 F153	A89-L101 CarbonylContact O-C 3.5Å; A89-L101 WeakPolarHBondContact O-CA 3.37Å; L101-L103 HydrophobicContact CD2-CD2 3.84Å; L101-L103 HydrophobicContact CD2-CG 4.24Å; L101-A113 CarbonylContact O-C 3.57Å; L101-A113 VanDerWaalsContact O-CA 3.26Å; L101-A113 WeakPolarHBondContact O-CA 3.38Å; L101-A114 HydrophobicContact CB-CB 4.37Å; L101-A114 PolarHBondContact N-O 2.97Å; L101-A114 PolarHBondContact O-N 2.84Å; L101-I116 HydrophobicContact CB-CD1 4.22Å; L101-I116 HydrophobicContact CB-CG1 4.37Å; L101-F120 HydrophobicContact CD1-CE1 4.5Å; L101-F120 HydrophobicContact CD1-CZ 4.29Å; L101-F122 HydrophobicContact CD1-CD2 3.98Å; L101-F122 HydrophobicContact CD1-CE2 3.69Å; L101-F132 HydrophobicContact CD1-CD1 4.29Å; L101-F132 HydrophobicContact CD1-CD2 4.31Å; L101-F132 HydrophobicContact CD1-CE1 4.38Å; L101-F132 HydrophobicContact CD1-CE2 4.41Å; L101-F132 HydrophobicContact CD1-CG 4.27Å; L101-F132 HydrophobicContact CD1-CZ 4.45Å; L101-F132 HydrophobicContact CD2-CE1 4.14Å; L101-F132 HydrophobicContact CD2-CE2 4.05Å; L101-F132 HydrophobicContact CD2-CZ 3.72Å; L101-F153 HydrophobicContact CD1-CE1 3.89Å; L101-F153 HydrophobicContact CD1-CZ 4.15Å; L101-F153 HydrophobicContact CG-CE1 4.34Å; L101-F153 HydrophobicContact CG-CZ 4.09Å
102	L	96.1	Very high	91.8	Very high	31 Å²	31	69.6 Å²	69.6	16%	0.162	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131	179.3	-178.1	69.6	0	0	0	111	A88 A89 L91 Y104 Q110 A113	A88-L102 WeakPolarHBondContact CA-O 3.41Å; A89-L102 PolarHBondContact N-O 3Å; A89-L102 PolarHBondContact O-N 2.88Å; L91-L102 HydrophobicContact CD1-CB 4.03Å; L91-L102 HydrophobicContact CD1-CD2 3.95Å; L91-L102 HydrophobicContact CG-CB 4.29Å; L102-Y104 HydrophobicContact CD2-CD1 4.2Å; L102-Y104 HydrophobicContact CG-CD1 4.25Å; L102-Q110 HydrophobicContact CD1-CB 3.85Å; L102-A113 HydrophobicContact CD1-CB 4.12Å
103	L	96.8	Very high	91.8	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.5	164.8	-58.4	-171.5	0	0	0	110.2	L86 G87 A88 L101 V111 T112 F132 W140 L142	L86-L103 HydrophobicContact CD1-CB 4.16Å; L86-L103 HydrophobicContact CD1-CD1 4.34Å; G87-L103 WeakPolarHBondContact O-CA 3.44Å; A88-L103 HydrophobicContact CB-CD2 3.58Å; L101-L103 HydrophobicContact CD2-CD2 3.84Å; L101-L103 HydrophobicContact CD2-CG 4.24Å; L103-V111 HydrophobicContact CB-CB 4.26Å; L103-V111 PolarHBondContact O-N 2.94Å; L103-T112 HydrophobicContact CB-CG2 4.21Å; L103-T112 HydrophobicContact CD1-CG2 3.96Å; L103-T112 HydrophobicContact CG-CG2 4.11Å; L103-T112 PolarHBondContact N-O 3.44Å; L103-F132 HydrophobicContact CD1-CE1 4.32Å; L103-F132 HydrophobicContact CD1-CZ 3.96Å; L103-F132 HydrophobicContact CG-CZ 4.17Å; L103-W140 HydrophobicContact CD1-CD2 4.01Å; L103-W140 HydrophobicContact CD1-CE3 3.62Å; L103-W140 HydrophobicContact CD1-CZ3 3.95Å; L103-L142 HydrophobicContact CD1-CD2 3.88Å; L103-L142 HydrophobicContact CD2-CD1 4.12Å; L103-L142 HydrophobicContact CD2-CD2 3.9Å
104	Y	95.4	Very high	92	Very high	59 Å²	59	69.9 Å²	69.9	23%	0.231	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	155.4	-175.1	63.1	-82.2	0	0	0	113.5	G87 A89 L102 K109	G87-Y104 PolarHBondContact N-O 3.25Å; G87-Y104 VanDerWaalsContact O-CD1 3.3Å; G87-Y104 WeakPolarHBondContact O-CD1 3.36Å; G87-Y104 PolarHBondContact O-N 2.78Å; A89-Y104 HydrophobicContact CB-CE1 3.87Å; L102-Y104 HydrophobicContact CD2-CD1 4.2Å; L102-Y104 HydrophobicContact CG-CD1 4.25Å; Y104-K109 WeakPolarHBondContact CA-O 3.25Å
105	L	92.8	Very high	92.4	Very high	100 Å²	100	71.8 Å²	71.8	52%	0.524	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-35.3	166.9	-74	91.2	0	0	0	111.7	L86 K109 V111	L86-L105 HydrophobicContact CD2-CD1 3.8Å; L86-L105 HydrophobicContact CD2-CG 3.7Å; L105-K109 HydrophobicContact CB-CD 4.4Å; L105-K109 HydrophobicContact CD1-CD 4.19Å; L105-K109 HydrophobicContact CD1-CG 4.31Å; L105-K109 PolarHBondContact N-O 3.33Å; L105-V111 HydrophobicContact CD1-CG2 3.31Å
106	S	85.5	Confident	92.8	Very high	55 Å²	55	67.4 Å²	67.4	39%	0.385	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	169.1	178.5	71.7	0	0	0	0	109.2	Q108 K109	S106-Q108 PolarHBondContact O-N 2.95Å; S106-K109 CarbonylContact O-C 3.53Å; S106-K109 PolarHBondContact O-N 3.1Å; S106-K109 PolarHBondContact OG-N 3.39Å
107	Q	76.5	Confident	92.9	Very high	201 Å²	201	68.3 Å²	68.3	94%	0.939	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-24	178.5	-64.5	176.3	-2.8	0	0	113.7
108	Q	79.6	Confident	93	Very high	191 Å²	191	65.5 Å²	65.5	89%	0.893	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-5.7	-179.9	-63.7	173.5	-5.3	0	0	113.4	S106	S106-Q108 PolarHBondContact O-N 2.95Å
109	K	88.6	Confident	92.9	Very high	125 Å²	125	65 Å²	65	54%	0.543	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	82.8	-173.4	-168.5	175.8	-179	179	0	111.9	Y104 L105 S106	Y104-K109 WeakPolarHBondContact CA-O 3.25Å; L105-K109 HydrophobicContact CB-CD 4.4Å; L105-K109 HydrophobicContact CD1-CD 4.19Å; L105-K109 HydrophobicContact CD1-CG 4.31Å; L105-K109 PolarHBondContact N-O 3.33Å; S106-K109 CarbonylContact O-C 3.53Å; S106-K109 PolarHBondContact O-N 3.1Å; S106-K109 PolarHBondContact OG-N 3.39Å
110	Q	91.6	Very high	92.9	Very high	142 Å²	142	65.4 Å²	65.4	66%	0.664	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	151.8	164	61.9	-177.1	4.9	0	0	111.9	L102	L102-Q110 HydrophobicContact CD1-CB 3.85Å
111	V	93.6	Very high	92.9	Very high	53 Å²	53	67.7 Å²	67.7	32%	0.321	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-49.9	177.7	-178.7	0	0	0	0	110.5	L86 L103 L105 W140	L86-V111 HydrophobicContact CD1-CB 4.41Å; L86-V111 HydrophobicContact CD1-CG1 4.39Å; L86-V111 HydrophobicContact CD1-CG2 4.05Å; L86-V111 HydrophobicContact CD2-CG2 4.08Å; L103-V111 HydrophobicContact CB-CB 4.26Å; L103-V111 PolarHBondContact O-N 2.94Å; L105-V111 HydrophobicContact CD1-CG2 3.31Å; V111-W140 HydrophobicContact CG1-CH2 3.5Å; V111-W140 HydrophobicContact CG1-CZ2 4.18Å; V111-W140 HydrophobicContact CG1-CZ3 4.27Å
112	T	95.3	Very high	92.8	Very high	8 Å²	8	68 Å²	68	5%	0.049	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	164.6	172.9	-163.9	0	0	0	0	109.9	L103 D134 W140	L103-T112 HydrophobicContact CB-CG2 4.21Å; L103-T112 HydrophobicContact CD1-CG2 3.96Å; L103-T112 HydrophobicContact CG-CG2 4.11Å; L103-T112 PolarHBondContact N-O 3.44Å; T112-D134 WeakPolarHBondContact CB-OD2 3.34Å; T112-D134 HydrophobicContact CG2-CB 4.07Å; T112-D134 WeakPolarHBondContact OG1-CB 3.35Å; T112-D134 VanDerWaalsContact OG1-CG 3.27Å; T112-D134 PolarHBondContact OG1-OD2 2.95Å; T112-W140 HydrophobicContact CG2-CD2 4.22Å; T112-W140 HydrophobicContact CG2-CH2 4.48Å; T112-W140 HydrophobicContact CG2-CZ2 3.77Å
113	A	95.6	Very high	92.8	Very high	24 Å²	24	69.1 Å²	69.1	20%	0.198	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	153.5	172.4	0	0	0	0	0	110.7	L101 L102 D135	L101-A113 CarbonylContact O-C 3.57Å; L101-A113 VanDerWaalsContact O-CA 3.26Å; L101-A113 WeakPolarHBondContact O-CA 3.38Å; L102-A113 HydrophobicContact CD1-CB 4.12Å; A113-D135 PolarHBondContact O-N 3.22Å
114	A	97.3	Very high	92.8	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.008	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.5	173.1	0	0	0	0	0	109.8	K100 L101 I116 F120 F132 D134 D135	K100-A114 CarbonylContact C-O 3.58Å; K100-A114 VanDerWaalsContact CA-O 3.24Å; K100-A114 WeakPolarHBondContact CA-O 3.5Å; L101-A114 HydrophobicContact CB-CB 4.37Å; L101-A114 PolarHBondContact N-O 2.97Å; L101-A114 PolarHBondContact O-N 2.84Å; A114-I116 PolarHBondContact O-N 3.09Å; A114-F120 HydrophobicContact CB-CE2 3.84Å; A114-F120 HydrophobicContact CB-CZ 4.22Å; A114-F132 HydrophobicContact CB-CD2 3.99Å; A114-F132 HydrophobicContact CB-CE2 3.9Å; A114-D134 HydrophobicContact CB-CB 4.5Å; A114-D135 WeakPolarHBondContact CA-OD1 3.31Å
115	R	96.7	Very high	92.7	Very high	113 Å²	113	70.9 Å²	70.9	43%	0.426	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	122.4	172.1	-178.4	180	-71.5	-95.6	-3.5	109.8	E98 H117 D135	E98-R115 IonicContact OE1-CZ 2.71Å; E98-R115 IonicContact OE1-NH1 3.89Å; E98-R115 PolarHBondContact OE1-NH1 3.39Å; E98-R115 IonicContact OE1-NH2 3.9Å; E98-R115 PolarHBondContact OE1-NH2 2.93Å; R115-H117 PolarHBondContact O-CD2 2.92Å; R115-D135 PolarHBondContact N-OD1 3.09Å
116	I	97.1	Very high	92.6	Very high	3 Å²	3	72.1 Å²	72.1	2%	0.015	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.9	173.2	-56.1	172.4	0	0	0	108	V90 Y99 L101 A114 F120 A160 K161	V90-I116 HydrophobicContact CG1-CD1 3.92Å; Y99-I116 PolarHBondContact O-N 3.33Å; L101-I116 HydrophobicContact CB-CD1 4.22Å; L101-I116 HydrophobicContact CB-CG1 4.37Å; A114-I116 PolarHBondContact O-N 3.09Å; I116-F120 HydrophobicContact CB-CD1 4.5Å; I116-F120 HydrophobicContact CG1-CD1 4.15Å; I116-F120 HydrophobicContact CG1-CE1 4.15Å; I116-F120 HydrophobicContact CG1-CG 4.49Å; I116-F120 HydrophobicContact CG2-CB 4.22Å; I116-F120 HydrophobicContact CG2-CD1 4.11Å; I116-F120 HydrophobicContact CG2-CG 4.31Å; I116-A160 HydrophobicContact CB-CB 4.47Å; I116-A160 HydrophobicContact CD1-CB 3.87Å; I116-A160 HydrophobicContact CG2-CB 3.91Å; I116-K161 HydrophobicContact CG2-CB 4.39Å; I116-K161 HydrophobicContact CG2-CG 3.69Å
117	H	94.9	Very high	92.9	Very high	97 Å²	97	76 Å²	76	45%	0.449	39%	0.388	S	S	.	.			trans	-138.2	168.2	174.9	61	104.6	0	0	0	108.3	R115 G119 F120 S164	R115-H117 PolarHBondContact O-CD2 2.92Å; H117-G119 VanDerWaalsContact CE1-C 3.46Å; H117-G119 PolarHBondContact ND1-N 3.16Å; H117-G119 PolarHBondContact O-N 3.09Å; H117-G119 VanDerWaalsContact O-N 3.09Å; H117-F120 WeakPolarHBondContact O-CB 3.34Å; H117-F120 PolarHBondContact O-N 3.27Å; H117-S164 WeakPolarHBondContact CA-OG 3.38Å
118	V	94.5	Very high	93.7	Very high	45 Å²	45	68.9 Å²	68.9	27%	0.273	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-44.5	-177.7	179.8	0	0	0	0	113	F120 K161 S164 L168 V172	V118-F120 VanDerWaalsContact C-N 3.31Å; V118-F120 PolarHBondContact O-N 3.04Å; V118-K161 WeakPolarHBondContact CG2-O 3.42Å; V118-K161 WeakPolarHBondContact O-CE 3.37Å; V118-S164 PolarHBondContact N-OG 3.33Å; V118-S164 VanDerWaalsContact N-OG 3.08Å; V118-L168 HydrophobicContact CG2-CD2 4.19Å; V118-V172 HydrophobicContact CG1-CG2 3.99Å
119	G	92.5	Very high	94.5	Very high	51 Å²	51	63.1 Å²	63.1	53%	0.526	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	12.1	177.9	0	0	0	0	0	116.2	H117 I121	H117-G119 VanDerWaalsContact CE1-C 3.46Å; H117-G119 PolarHBondContact ND1-N 3.16Å; H117-G119 PolarHBondContact O-N 3.09Å; H117-G119 VanDerWaalsContact O-N 3.09Å; G119-I121 PolarHBondContact O-N 3.3Å
120	F	96.4	Very high	94.9	Very high	10 Å²	10	57.2 Å²	57.2	4%	0.044	30%	0.301	C	S	.	.			trans	-68.1	129.2	178.2	178.4	-106.5	0	0	0	111	L101 A114 I116 H117 V118 F122 F132 V157 K161	L101-F120 HydrophobicContact CD1-CE1 4.5Å; L101-F120 HydrophobicContact CD1-CZ 4.29Å; A114-F120 HydrophobicContact CB-CE2 3.84Å; A114-F120 HydrophobicContact CB-CZ 4.22Å; I116-F120 HydrophobicContact CB-CD1 4.5Å; I116-F120 HydrophobicContact CG1-CD1 4.15Å; I116-F120 HydrophobicContact CG1-CE1 4.15Å; I116-F120 HydrophobicContact CG1-CG 4.49Å; I116-F120 HydrophobicContact CG2-CB 4.22Å; I116-F120 HydrophobicContact CG2-CD1 4.11Å; I116-F120 HydrophobicContact CG2-CG 4.31Å; H117-F120 WeakPolarHBondContact O-CB 3.34Å; H117-F120 PolarHBondContact O-N 3.27Å; V118-F120 VanDerWaalsContact C-N 3.31Å; V118-F120 PolarHBondContact O-N 3.04Å; F120-F122 HydrophobicContact CD1-CB 4.3Å; F120-F122 HydrophobicContact CE1-CB 3.93Å; F120-F122 HydrophobicContact CE1-CD2 4.1Å; F120-F122 HydrophobicContact CE1-CG 4.45Å; F120-F132 HydrophobicContact CE2-CD2 4.47Å; F120-F132 HydrophobicContact CZ-CB 3.98Å; F120-F132 HydrophobicContact CZ-CD2 4.06Å; F120-F132 HydrophobicContact CZ-CG 4.34Å; F120-V157 HydrophobicContact CD1-CG1 4.02Å; F120-V157 HydrophobicContact CE1-CG1 4.02Å; F120-K161 HydrophobicContact CB-CG 4.19Å; F120-K161 WeakPolarHBondContact O-CD 3.42Å; F120-K161 WeakPolarHBondContact O-CE 3.37Å; F120-K161 PolarHBondContact O-NZ 3.49Å; F120-K161 VanDerWaalsContact O-NZ 3.13Å
121	I	95.9	Very high	95.1	Very high	113 Å²	113	51.3 Å²	51.3	58%	0.579	28%	0.275	S	S	*	.			trans	-99.6	109.3	-176.3	-57.4	178.7	0	0	0	109.3	G119 T123	G119-I121 PolarHBondContact O-N 3.3Å; I121-T123 WeakPolarHBondContact CG2-OG1 3.49Å
122	F	97.1	Very high	95.3	Very high	5 Å²	5	48.8 Å²	48.8	2%	0.022	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	98.4	172	-167.7	-97.7	0	0	0	108.2	L101 F120 C130 F132 F144 F153 V157 Q174	L101-F122 HydrophobicContact CD1-CD2 3.98Å; L101-F122 HydrophobicContact CD1-CE2 3.69Å; F120-F122 HydrophobicContact CD1-CB 4.3Å; F120-F122 HydrophobicContact CE1-CB 3.93Å; F120-F122 HydrophobicContact CE1-CD2 4.1Å; F120-F122 HydrophobicContact CE1-CG 4.45Å; F122-C130 HydrophobicContact CD1-CB 4.37Å; F122-C130 HydrophobicContact CE1-CB 3.54Å; F122-C130 HydrophobicContact CE2-CB 4.23Å; F122-C130 HydrophobicContact CZ-CB 3.45Å; F122-C130 VanDerWaalsContact CZ-CB 3.45Å; F122-F132 HydrophobicContact CD2-CB 3.82Å; F122-F132 HydrophobicContact CD2-CG 4.39Å; F122-F132 HydrophobicContact CE2-CB 4.34Å; F122-F132 HydrophobicContact CE2-CD1 4.22Å; F122-F144 HydrophobicContact CZ-CE2 4.49Å; F122-F153 HydrophobicContact CE1-CD1 4.14Å; F122-F153 HydrophobicContact CE2-CD1 4.36Å; F122-F153 AromaticContact CE2-CE1 3.98Å; F122-F153 HydrophobicContact CE2-CE1 3.98Å; F122-F153 AromaticContact CZ-CD1 3.68Å; F122-F153 HydrophobicContact CZ-CD1 3.68Å; F122-F153 AromaticContact CZ-CE1 3.75Å; F122-F153 HydrophobicContact CZ-CE1 3.75Å; F122-V157 HydrophobicContact CB-CG1 3.8Å; F122-V157 HydrophobicContact CD1-CG1 4.43Å; F122-V157 HydrophobicContact CG-CG1 4.02Å; F122-Q174 PolarHBondContact O-NE2 2.85Å; F122-Q174 PolarHBondContact O-OE1 3.38Å
123	T	96	Very high	95.4	Very high	56 Å²	56	54.7 Å²	54.7	34%	0.344	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	114.1	-170.7	-52.7	0	0	0	0	110.1	I121 C130 T131	I121-T123 WeakPolarHBondContact CG2-OG1 3.49Å; T123-C130 CarbonylContact O-C 3.51Å; T123-C130 WeakPolarHBondContact O-CA 3.48Å; T123-T131 PolarHBondContact N-O 3.36Å; T123-T131 PolarHBondContact O-N 3.47Å; T123-T131 PolarHBondContact O-OG1 2.94Å
124	V	96	Very high	95.4	Very high	13 Å²	13	53.9 Å²	53.9	8%	0.079	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	148	169	-178.2	0	0	0	0	109.6	C154 D175 L178	V124-C154 VanDerWaalsContact CG2-SG 3.51Å; V124-D175 HydrophobicContact CG2-CB 4.39Å; V124-D175 WeakPolarHBondContact CG2-O 3.41Å; V124-L178 HydrophobicContact CB-CD2 4.3Å; V124-L178 HydrophobicContact CB-CG 4.23Å; V124-L178 HydrophobicContact CG1-CG 4.24Å; V124-L178 WeakPolarHBondContact O-CD1 3.45Å; V124-L178 WeakPolarHBondContact O-CD2 3.42Å
125	Q	93.4	Very high	95.2	Very high	82 Å²	82	58.7 Å²	58.7	38%	0.383	30%	0.3	S	S	.	.			trans	-132.3	171.3	176.2	-62.6	-67.6	-12.2	0	0	109.3	Y129 T131	Q125-Y129 WeakPolarHBondContact CA-O 3.43Å; Q125-Y129 WeakPolarHBondContact CB-O 3.36Å; Q125-Y129 PolarHBondContact N-O 3.19Å; Q125-T131 HydrophobicContact CG-CG2 4.34Å
126	L	90.2	Very high	95	Very high	126 Å²	126	59.4 Å²	59.4	66%	0.66	31%	0.308	S	S	*	.	S	Bend	trans	-60.7	158.4	173	-67.2	167.5	0	0	0	111.5	N128 Y129	L126-N128 PolarHBondContact O-N 3.28Å; L126-Y129 WeakPolarHBondContact O-CD2 3.36Å; L126-Y129 PolarHBondContact O-N 2.94Å
127	N	91.4	Very high	94.9	Very high	137 Å²	137	69.7 Å²	69.7	73%	0.733	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	43.5	173.3	-54.1	-19.8	0	0	0	114.8	Y129	N127-Y129 HydrophobicContact CB-CD2 4.19Å; N127-Y129 HydrophobicContact CB-CE2 4.44Å; N127-Y129 VanDerWaalsContact O-CD2 3.25Å; N127-Y129 WeakPolarHBondContact O-CD2 3.34Å; N127-Y129 PolarHBondContact O-N 3.17Å
128	N	93.8	Very high	94.8	Very high	51 Å²	51	67.2 Å²	67.2	27%	0.273	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	23	178.3	-51.9	-25.7	0	0	0	114.8	L126 F144 E147	L126-N128 PolarHBondContact O-N 3.28Å; N128-F144 HydrophobicContact CB-CB 4.35Å; N128-F144 PolarHBondContact O-N 3.46Å; N128-E147 PolarHBondContact ND2-N 3.14Å; N128-E147 WeakPolarHBondContact OD1-CA 3.46Å
129	Y	96.1	Very high	94.9	Very high	71 Å²	71	66.3 Å²	66.3	28%	0.278	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	147.4	170.1	-77	-96.2	0	0	0	111.1	F73 Q125 L126 N127 S141 L142 M143	F73-Y129 HydrophobicContact CD2-CE1 4.15Å; F73-Y129 AromaticContact CE2-CE1 3.73Å; F73-Y129 HydrophobicContact CE2-CE1 3.73Å; F73-Y129 HydrophobicContact CZ-CE1 4.4Å; Q125-Y129 WeakPolarHBondContact CA-O 3.43Å; Q125-Y129 WeakPolarHBondContact CB-O 3.36Å; Q125-Y129 PolarHBondContact N-O 3.19Å; L126-Y129 WeakPolarHBondContact O-CD2 3.36Å; L126-Y129 PolarHBondContact O-N 2.94Å; N127-Y129 HydrophobicContact CB-CD2 4.19Å; N127-Y129 HydrophobicContact CB-CE2 4.44Å; N127-Y129 VanDerWaalsContact O-CD2 3.25Å; N127-Y129 WeakPolarHBondContact O-CD2 3.34Å; N127-Y129 PolarHBondContact O-N 3.17Å; Y129-S141 WeakPolarHBondContact CD1-OG 3.26Å; Y129-L142 CarbonylContact C-O 3.56Å; Y129-L142 VanDerWaalsContact CA-O 3.27Å; Y129-L142 WeakPolarHBondContact CA-O 3.41Å; Y129-M143 HydrophobicContact CD1-CB 3.91Å; Y129-M143 HydrophobicContact CD1-CG 4.41Å; Y129-M143 HydrophobicContact CD2-CG 4.15Å; Y129-M143 HydrophobicContact CE1-CB 3.69Å; Y129-M143 HydrophobicContact CE1-CG 4.12Å; Y129-M143 HydrophobicContact CE1-SD 4.36Å; Y129-M143 HydrophobicContact CE2-CB 4.3Å; Y129-M143 HydrophobicContact CE2-CG 3.81Å; Y129-M143 HydrophobicContact CE2-SD 3.77Å; Y129-M143 HydrophobicContact CG-CB 4.35Å; Y129-M143 HydrophobicContact CG-CG 4.44Å; Y129-M143 VanDerWaalsContact CZ-SD 3.6Å; Y129-M143 PolarHBondContact OH-SD 3.2Å; Y129-M143 VanDerWaalsContact OH-SD 3.42Å
130	C	97.1	Very high	95.1	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	141.7	169.3	-68	0	0	0	0	109.6	F122 T123 S141 L142 F144	F122-C130 HydrophobicContact CD1-CB 4.37Å; F122-C130 HydrophobicContact CE1-CB 3.54Å; F122-C130 HydrophobicContact CE2-CB 4.23Å; F122-C130 HydrophobicContact CZ-CB 3.45Å; F122-C130 VanDerWaalsContact CZ-CB 3.45Å; T123-C130 CarbonylContact O-C 3.51Å; T123-C130 WeakPolarHBondContact O-CA 3.48Å; C130-S141 CarbonylContact O-C 3.59Å; C130-S141 WeakPolarHBondContact O-CA 3.33Å; C130-L142 PolarHBondContact N-O 3.1Å; C130-L142 PolarHBondContact O-N 3.39Å; C130-F144 HydrophobicContact CB-CE2 4.1Å
131	T	97.1	Very high	95.2	Very high	19 Å²	19	64 Å²	64	12%	0.117	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.8	-179.6	50.8	0	0	0	0	112.4	T123 Q125 W140	T123-T131 PolarHBondContact N-O 3.36Å; T123-T131 PolarHBondContact O-N 3.47Å; T123-T131 PolarHBondContact O-OG1 2.94Å; Q125-T131 HydrophobicContact CG-CG2 4.34Å; T131-W140 VanDerWaalsContact CA-O 3.23Å; T131-W140 WeakPolarHBondContact CA-O 3.31Å
132	F	97.5	Very high	95.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	168.2	177.3	75.5	-80.1	0	0	0	111.3	L101 L103 A114 F120 F122 D134 W140 L142	L101-F132 HydrophobicContact CD1-CD1 4.29Å; L101-F132 HydrophobicContact CD1-CD2 4.31Å; L101-F132 HydrophobicContact CD1-CE1 4.38Å; L101-F132 HydrophobicContact CD1-CE2 4.41Å; L101-F132 HydrophobicContact CD1-CG 4.27Å; L101-F132 HydrophobicContact CD1-CZ 4.45Å; L101-F132 HydrophobicContact CD2-CE1 4.14Å; L101-F132 HydrophobicContact CD2-CE2 4.05Å; L101-F132 HydrophobicContact CD2-CZ 3.72Å; L103-F132 HydrophobicContact CD1-CE1 4.32Å; L103-F132 HydrophobicContact CD1-CZ 3.96Å; L103-F132 HydrophobicContact CG-CZ 4.17Å; A114-F132 HydrophobicContact CB-CD2 3.99Å; A114-F132 HydrophobicContact CB-CE2 3.9Å; F120-F132 HydrophobicContact CE2-CD2 4.47Å; F120-F132 HydrophobicContact CZ-CB 3.98Å; F120-F132 HydrophobicContact CZ-CD2 4.06Å; F120-F132 HydrophobicContact CZ-CG 4.34Å; F122-F132 HydrophobicContact CD2-CB 3.82Å; F122-F132 HydrophobicContact CD2-CG 4.39Å; F122-F132 HydrophobicContact CE2-CB 4.34Å; F122-F132 HydrophobicContact CE2-CD1 4.22Å; F132-D134 HydrophobicContact CE2-CB 4.26Å; F132-W140 HydrophobicContact CD1-CB 4.02Å; F132-W140 HydrophobicContact CE1-CB 3.5Å; F132-W140 VanDerWaalsContact CE1-CB 3.5Å; F132-W140 HydrophobicContact CE1-CG 4.33Å; F132-W140 HydrophobicContact CE2-CB 4.39Å; F132-W140 HydrophobicContact CZ-CB 3.71Å; F132-W140 HydrophobicContact CZ-CG 4.07Å; F132-W140 PolarHBondContact N-O 3.09Å; F132-W140 PolarHBondContact O-N 2.85Å; F132-L142 HydrophobicContact CD1-CD1 4.27Å; F132-L142 HydrophobicContact CD1-CG 4.31Å; F132-L142 HydrophobicContact CE1-CD1 3.83Å; F132-L142 HydrophobicContact CE1-CD2 4.05Å; F132-L142 HydrophobicContact CE1-CG 3.86Å
133	Y	96.6	Very high	95.3	Very high	132 Å²	132	61.4 Å²	61.4	52%	0.518	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.2	172.8	-71.6	-97.7	0	0	0	110	Q138 N139	Y133-Q138 WeakPolarHBondContact CA-O 3.42Å; Y133-N139 HydrophobicContact CD1-CB 4.19Å; Y133-N139 HydrophobicContact CE1-CB 3.75Å; Y133-N139 PolarHBondContact OH-ND2 2.81Å
134	D	95.6	Very high	95.3	Very high	7 Å²	7	59 Å²	59	4%	0.037	28%	0.277	C	S	.	.			trans	-85.1	175.2	176.5	73.9	7.3	0	0	0	113.4	T112 A114 F132 Q136 R137 Q138 W140	T112-D134 WeakPolarHBondContact CB-OD2 3.34Å; T112-D134 HydrophobicContact CG2-CB 4.07Å; T112-D134 WeakPolarHBondContact OG1-CB 3.35Å; T112-D134 VanDerWaalsContact OG1-CG 3.27Å; T112-D134 PolarHBondContact OG1-OD2 2.95Å; A114-D134 HydrophobicContact CB-CB 4.5Å; F132-D134 HydrophobicContact CE2-CB 4.26Å; D134-Q136 PolarHBondContact O-N 3.01Å; D134-Q136 VanDerWaalsContact OD1-C 3.26Å; D134-Q136 VanDerWaalsContact OD1-CA 3.29Å; D134-Q136 WeakPolarHBondContact OD1-CA 3.27Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.15Å; D134-Q136 PolarHBondContact OD1-N 2.88Å; D134-R137 WeakPolarHBondContact O-CA 3.35Å; D134-R137 PolarHBondContact O-N 3.35Å; D134-R137 PolarHBondContact OD1-N 3.5Å; D134-R137 VanDerWaalsContact OD1-N 3.13Å; D134-Q138 PolarHBondContact N-O 3.04Å; D134-Q138 VanDerWaalsContact N-O 3.07Å; D134-Q138 WeakPolarHBondContact OD1-CB 3.26Å; D134-Q138 PolarHBondContact OD1-N 2.86Å; D134-W140 PolarHBondContact OD2-NE1 3.01Å
135	D	93.7	Very high	95.3	Very high	101 Å²	101	63.2 Å²	63.2	54%	0.54	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-15.8	178.7	-71.1	-19.3	0	0	0	112.6	A113 A114 R115 R137	A113-D135 PolarHBondContact O-N 3.22Å; A114-D135 WeakPolarHBondContact CA-OD1 3.31Å; R115-D135 PolarHBondContact N-OD1 3.09Å; D135-R137 VanDerWaalsContact C-N 3.35Å
136	Q	92.8	Very high	95.4	Very high	129 Å²	129	61.1 Å²	61.1	60%	0.603	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	8.8	173.7	-54.2	178.4	24.2	0	0	112.5	D134 Q138	D134-Q136 PolarHBondContact O-N 3.01Å; D134-Q136 VanDerWaalsContact OD1-C 3.26Å; D134-Q136 VanDerWaalsContact OD1-CA 3.29Å; D134-Q136 WeakPolarHBondContact OD1-CA 3.27Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.15Å; D134-Q136 PolarHBondContact OD1-N 2.88Å; Q136-Q138 HydrophobicContact CB-CG 4.1Å; Q136-Q138 PolarHBondContact O-N 3.22Å
137	R	93.4	Very high	95.6	Very high	219 Å²	219	59.3 Å²	59.3	83%	0.826	28%	0.281	S	S	*	.			trans	58.7	24.1	-175.4	-59.5	179.3	174.7	-91.7	0.3	114.3	D134 D135	D134-R137 WeakPolarHBondContact O-CA 3.35Å; D134-R137 PolarHBondContact O-N 3.35Å; D134-R137 PolarHBondContact OD1-N 3.5Å; D134-R137 VanDerWaalsContact OD1-N 3.13Å; D135-R137 VanDerWaalsContact C-N 3.35Å
138	Q	94.4	Very high	95.8	Very high	45 Å²	45	59.1 Å²	59.1	21%	0.21	27%	0.274	C	S	.	.			trans	-84.3	134.7	175.7	-58.1	166.4	18	0	0	109.2	Y133 D134 Q136 W140	Y133-Q138 WeakPolarHBondContact CA-O 3.42Å; D134-Q138 PolarHBondContact N-O 3.04Å; D134-Q138 VanDerWaalsContact N-O 3.07Å; D134-Q138 WeakPolarHBondContact OD1-CB 3.26Å; D134-Q138 PolarHBondContact OD1-N 2.86Å; Q136-Q138 HydrophobicContact CB-CG 4.1Å; Q136-Q138 PolarHBondContact O-N 3.22Å; Q138-W140 VanDerWaalsContact O-CD1 3.31Å
139	N	96.1	Very high	95.9	Very high	25 Å²	25	59.1 Å²	59.1	13%	0.134	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	122.1	175.4	179.6	-39	0	0	0	109.5	Y75 Y80 Y133	Y75-N139 WeakPolarHBondContact CB-O 3.41Å; Y75-N139 PolarHBondContact N-O 3.4Å; Y80-N139 WeakPolarHBondContact CE1-OD1 3.5Å; Y80-N139 VanDerWaalsContact OH-CG 3.29Å; Y80-N139 PolarHBondContact OH-ND2 2.99Å; Y80-N139 PolarHBondContact OH-OD1 2.88Å; Y133-N139 HydrophobicContact CD1-CB 4.19Å; Y133-N139 HydrophobicContact CE1-CB 3.75Å; Y133-N139 PolarHBondContact OH-ND2 2.81Å
140	W	97.4	Very high	95.9	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.015	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141	176.7	-72.5	86	0	0	0	110.2	A72 F73 K74 Q83 L103 V111 T112 T131 F132 D134 Q138	A72-W140 HydrophobicContact CB-CE3 4.48Å; A72-W140 HydrophobicContact CB-CZ3 4.43Å; F73-W140 WeakPolarHBondContact O-CA 3.36Å; K74-W140 HydrophobicContact CB-CD2 4.23Å; K74-W140 HydrophobicContact CB-CE3 4.04Å; K74-W140 HydrophobicContact CB-CH2 4.1Å; K74-W140 HydrophobicContact CB-CZ2 4.29Å; K74-W140 HydrophobicContact CB-CZ3 4Å; K74-W140 HydrophobicContact CD-CH2 4Å; K74-W140 HydrophobicContact CD-CZ2 3.7Å; K74-W140 HydrophobicContact CG-CD2 4.47Å; K74-W140 HydrophobicContact CG-CH2 4.43Å; K74-W140 HydrophobicContact CG-CZ2 4.17Å; Q83-W140 HydrophobicContact CB-CZ3 4.3Å; Q83-W140 HydrophobicContact CG-CH2 4.19Å; Q83-W140 HydrophobicContact CG-CZ3 3.73Å; L103-W140 HydrophobicContact CD1-CD2 4.01Å; L103-W140 HydrophobicContact CD1-CE3 3.62Å; L103-W140 HydrophobicContact CD1-CZ3 3.95Å; V111-W140 HydrophobicContact CG1-CH2 3.5Å; V111-W140 HydrophobicContact CG1-CZ2 4.18Å; V111-W140 HydrophobicContact CG1-CZ3 4.27Å; T112-W140 HydrophobicContact CG2-CD2 4.22Å; T112-W140 HydrophobicContact CG2-CH2 4.48Å; T112-W140 HydrophobicContact CG2-CZ2 3.77Å; T131-W140 VanDerWaalsContact CA-O 3.23Å; T131-W140 WeakPolarHBondContact CA-O 3.31Å; F132-W140 HydrophobicContact CD1-CB 4.02Å; F132-W140 HydrophobicContact CE1-CB 3.5Å; F132-W140 VanDerWaalsContact CE1-CB 3.5Å; F132-W140 HydrophobicContact CE1-CG 4.33Å; F132-W140 HydrophobicContact CE2-CB 4.39Å; F132-W140 HydrophobicContact CZ-CB 3.71Å; F132-W140 HydrophobicContact CZ-CG 4.07Å; F132-W140 PolarHBondContact N-O 3.09Å; F132-W140 PolarHBondContact O-N 2.85Å; D134-W140 PolarHBondContact OD2-NE1 3.01Å; Q138-W140 VanDerWaalsContact O-CD1 3.31Å
141	S	97.4	Very high	95.8	Very high	10 Å²	10	56.5 Å²	56.5	7%	0.07	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.1	171.6	-169.3	0	0	0	0	109.7	A72 F73 Y129 C130	A72-S141 CarbonylContact C-O 3.59Å; F73-S141 PolarHBondContact N-O 2.7Å; F73-S141 PolarHBondContact O-N 3.48Å; Y129-S141 WeakPolarHBondContact CD1-OG 3.26Å; C130-S141 CarbonylContact O-C 3.59Å; C130-S141 WeakPolarHBondContact O-CA 3.33Å
142	L	97.6	Very high	95.8	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.8	179	-53.2	-175.3	0	0	0	108.5	V70 A72 A88 L103 Y129 C130 F132 F144	V70-L142 HydrophobicContact CB-CB 4.33Å; V70-L142 HydrophobicContact CG1-CB 4.43Å; V70-L142 HydrophobicContact CG2-CD2 4.04Å; A72-L142 HydrophobicContact CB-CD2 3.96Å; A88-L142 HydrophobicContact CB-CD1 4.18Å; L103-L142 HydrophobicContact CD1-CD2 3.88Å; L103-L142 HydrophobicContact CD2-CD1 4.12Å; L103-L142 HydrophobicContact CD2-CD2 3.9Å; Y129-L142 CarbonylContact C-O 3.56Å; Y129-L142 VanDerWaalsContact CA-O 3.27Å; Y129-L142 WeakPolarHBondContact CA-O 3.41Å; C130-L142 PolarHBondContact N-O 3.1Å; C130-L142 PolarHBondContact O-N 3.39Å; F132-L142 HydrophobicContact CD1-CD1 4.27Å; F132-L142 HydrophobicContact CD1-CG 4.31Å; F132-L142 HydrophobicContact CE1-CD1 3.83Å; F132-L142 HydrophobicContact CE1-CD2 4.05Å; F132-L142 HydrophobicContact CE1-CG 3.86Å; L142-F144 HydrophobicContact CB-CE2 4.21Å
143	M	97.1	Very high	95.8	Very high	63 Å²	63	58 Å²	58	31%	0.31	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.9	166.3	-171.4	-176.1	77.2	0	0	108.7	V70 Q71 F73 Y129	V70-M143 WeakPolarHBondContact CA-O 3.37Å; Q71-M143 HydrophobicContact CB-CB 4.29Å; Q71-M143 HydrophobicContact CB-CE 3.95Å; Q71-M143 HydrophobicContact CG-CE 4.13Å; Q71-M143 PolarHBondContact N-O 2.86Å; Q71-M143 PolarHBondContact O-N 3.42Å; F73-M143 HydrophobicContact CE2-CB 4.17Å; Y129-M143 HydrophobicContact CD1-CB 3.91Å; Y129-M143 HydrophobicContact CD1-CG 4.41Å; Y129-M143 HydrophobicContact CD2-CG 4.15Å; Y129-M143 HydrophobicContact CE1-CB 3.69Å; Y129-M143 HydrophobicContact CE1-CG 4.12Å; Y129-M143 HydrophobicContact CE1-SD 4.36Å; Y129-M143 HydrophobicContact CE2-CB 4.3Å; Y129-M143 HydrophobicContact CE2-CG 3.81Å; Y129-M143 HydrophobicContact CE2-SD 3.77Å; Y129-M143 HydrophobicContact CG-CB 4.35Å; Y129-M143 HydrophobicContact CG-CG 4.44Å; Y129-M143 VanDerWaalsContact CZ-SD 3.6Å; Y129-M143 PolarHBondContact OH-SD 3.2Å; Y129-M143 VanDerWaalsContact OH-SD 3.42Å
144	F	97.1	Very high	95.8	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.022	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	156.8	171.1	-66.6	-96.4	0	0	0	110.4	V70 F122 N128 C130 L142 N149 A150 F153	V70-F144 HydrophobicContact CG1-CD1 3.62Å; V70-F144 HydrophobicContact CG1-CD2 4.47Å; V70-F144 HydrophobicContact CG1-CE1 3.55Å; V70-F144 HydrophobicContact CG1-CE2 4.4Å; V70-F144 HydrophobicContact CG1-CG 4.1Å; V70-F144 HydrophobicContact CG1-CZ 3.96Å; F122-F144 HydrophobicContact CZ-CE2 4.49Å; N128-F144 HydrophobicContact CB-CB 4.35Å; N128-F144 PolarHBondContact O-N 3.46Å; C130-F144 HydrophobicContact CB-CE2 4.1Å; L142-F144 HydrophobicContact CB-CE2 4.21Å; F144-N149 HydrophobicContact CD1-CB 4.29Å; F144-A150 HydrophobicContact CB-CB 3.93Å; F144-A150 HydrophobicContact CD2-CB 3.75Å; F144-A150 HydrophobicContact CE2-CB 4.42Å; F144-A150 HydrophobicContact CG-CB 3.81Å; F144-F153 HydrophobicContact CE1-CB 3.7Å; F144-F153 HydrophobicContact CE1-CD1 4.3Å; F144-F153 AromaticContact CE1-CD2 3.92Å; F144-F153 HydrophobicContact CE1-CD2 3.92Å; F144-F153 AromaticContact CE1-CG 3.72Å; F144-F153 HydrophobicContact CE1-CG 3.72Å; F144-F153 HydrophobicContact CZ-CB 3.76Å; F144-F153 AromaticContact CZ-CD1 3.69Å; F144-F153 HydrophobicContact CZ-CD1 3.69Å; F144-F153 HydrophobicContact CZ-CD2 4.11Å; F144-F153 HydrophobicContact CZ-CE1 4.29Å; F144-F153 AromaticContact CZ-CG 3.58Å; F144-F153 HydrophobicContact CZ-CG 3.58Å
145	D	94.9	Very high	95.9	Very high	101 Å²	101	53.1 Å²	53.1	54%	0.54	26%	0.255	S	S	.	.	S	Bend	trans	-74.8	-25.2	177.7	55.1	4.4	0	0	0	113.6	N149	D145-N149 PolarHBondContact OD1-ND2 2.98Å
146	S	95.5	Very high	96.1	Very high	39 Å²	39	50.1 Å²	50.1	27%	0.273	24%	0.238	S	C	.	.	S	Bend	trans	-145	154.1	-178.5	60.8	0	0	0	0	112	K148 N149 A150	S146-K148 VanDerWaalsContact C-N 3.25Å; S146-K148 PolarHBondContact O-N 3.42Å; S146-N149 PolarHBondContact O-N 2.9Å; S146-N149 WeakPolarHBondContact OG-CB 3.3Å; S146-N149 PolarHBondContact OG-N 3.04Å; S146-N149 PolarHBondContact OG-ND2 3.27Å; S146-A150 PolarHBondContact O-N 3.38Å; S146-A150 VanDerWaalsContact O-N 3.13Å
147	E	94.4	Very high	96.3	Very high	87 Å²	87	44 Å²	44	41%	0.407	21%	0.209	S	C	.	.	H	α-helix	trans	-60.9	-38.9	173.4	-169.4	-161.1	130.3	0	0	110.3	N128 N149 A150 S151 I177 R243	N128-E147 PolarHBondContact ND2-N 3.14Å; N128-E147 WeakPolarHBondContact OD1-CA 3.46Å; E147-N149 PolarHBondContact O-N 3.49Å; E147-A150 PolarHBondContact O-N 2.89Å; E147-S151 VanDerWaalsContact O-CB 3.3Å; E147-S151 WeakPolarHBondContact O-CB 3.43Å; E147-S151 PolarHBondContact O-N 3.36Å; E147-S151 PolarHBondContact O-OG 3.1Å; E147-I177 VanDerWaalsContact OE1-CD1 3.29Å; E147-I177 WeakPolarHBondContact OE1-CD1 3.48Å; E147-R243 IonicContact OE1-CZ 3.13Å; E147-R243 IonicContact OE1-NH2 3.57Å; E147-R243 PolarHBondContact OE1-NH2 3.44Å
148	K	95.1	Very high	96.5	Very high	134 Å²	134	33.6 Å²	33.6	58%	0.583	17%	0.17	S	C	*	.	H	α-helix	trans	-55.1	-54	176.8	-173	-175.2	-179	-61.3	0	111	S146 A150 S151 D152	S146-K148 VanDerWaalsContact C-N 3.25Å; S146-K148 PolarHBondContact O-N 3.42Å; K148-A150 VanDerWaalsContact C-N 3.32Å; K148-A150 PolarHBondContact O-N 2.91Å; K148-S151 WeakPolarHBondContact CA-OG 3.29Å; K148-S151 PolarHBondContact O-N 3.16Å; K148-S151 PolarHBondContact O-OG 3.37Å; K148-D152 IonicContact NZ-OD2 3.08Å; K148-D152 PolarHBondContact NZ-OD2 3.35Å; K148-D152 PolarHBondContact O-N 2.59Å
149	N	96.1	Very high	96.6	Very high	50 Å²	50	31.8 Å²	31.8	27%	0.267	16%	0.162	S	C	.	.	H	α-helix	trans	-64.3	-35.8	-178.6	-71.1	-12.3	0	0	0	112.4	F144 D145 S146 E147 F153	F144-N149 HydrophobicContact CD1-CB 4.29Å; D145-N149 PolarHBondContact OD1-ND2 2.98Å; S146-N149 PolarHBondContact O-N 2.9Å; S146-N149 WeakPolarHBondContact OG-CB 3.3Å; S146-N149 PolarHBondContact OG-N 3.04Å; S146-N149 PolarHBondContact OG-ND2 3.27Å; E147-N149 PolarHBondContact O-N 3.49Å; N149-F153 VanDerWaalsContact O-CB 3.27Å; N149-F153 WeakPolarHBondContact O-CB 3.43Å; N149-F153 PolarHBondContact O-N 3.03Å; N149-F153 VanDerWaalsContact O-N 3.16Å
150	A	96.3	Very high	96.6	Very high	8 Å²	8	30.6 Å²	30.6	7%	0.066	16%	0.155	C	C	.	.	H	α-helix	trans	-63.3	-44.3	170.6	0	0	0	0	0	111.7	F144 S146 E147 K148 F153 C154	F144-A150 HydrophobicContact CB-CB 3.93Å; F144-A150 HydrophobicContact CD2-CB 3.75Å; F144-A150 HydrophobicContact CE2-CB 4.42Å; F144-A150 HydrophobicContact CG-CB 3.81Å; S146-A150 PolarHBondContact O-N 3.38Å; S146-A150 VanDerWaalsContact O-N 3.13Å; E147-A150 PolarHBondContact O-N 2.89Å; K148-A150 VanDerWaalsContact C-N 3.32Å; K148-A150 PolarHBondContact O-N 2.91Å; A150-F153 PolarHBondContact O-N 3.05Å; A150-C154 PolarHBondContact O-N 3.46Å; A150-C154 PolarHBondContact O-SG 3.43Å
151	S	96	Very high	96.6	Very high	9 Å²	9	31.3 Å²	31.3	6%	0.063	16%	0.158	C	C	.	.	H	α-helix	trans	-67.3	-42.8	-176.4	75.8	0	0	0	0	112.7	E147 K148 C154 K155	E147-S151 VanDerWaalsContact O-CB 3.3Å; E147-S151 WeakPolarHBondContact O-CB 3.43Å; E147-S151 PolarHBondContact O-N 3.36Å; E147-S151 PolarHBondContact O-OG 3.1Å; K148-S151 WeakPolarHBondContact CA-OG 3.29Å; K148-S151 PolarHBondContact O-N 3.16Å; K148-S151 PolarHBondContact O-OG 3.37Å; S151-C154 PolarHBondContact O-N 2.94Å; S151-K155 WeakPolarHBondContact O-CG 3.48Å; S151-K155 PolarHBondContact O-N 3.09Å
152	D	96.4	Very high	96.5	Very high	51 Å²	51	31 Å²	31	27%	0.273	16%	0.156	S	C	.	.	H	α-helix	trans	-65.7	-40.4	175.9	-65.7	-26.8	0	0	0	110.5	L66 K148 K155 E156	L66-D152 HydrophobicContact CD2-CB 4.37Å; K148-D152 IonicContact NZ-OD2 3.08Å; K148-D152 PolarHBondContact NZ-OD2 3.35Å; K148-D152 PolarHBondContact O-N 2.59Å; D152-K155 PolarHBondContact O-N 2.86Å; D152-E156 PolarHBondContact O-N 3.45Å
153	F	97.6	Very high	96.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.8	-37.7	175.5	-160.8	-82.4	0	0	0	112.6	L66 A88 V90 L101 F122 F144 N149 A150 E156 V157	L66-F153 HydrophobicContact CD2-CB 4.25Å; L66-F153 HydrophobicContact CD2-CD2 4.2Å; A88-F153 HydrophobicContact CB-CE2 4.03Å; A88-F153 HydrophobicContact CB-CZ 4.08Å; V90-F153 HydrophobicContact CG2-CD2 4.45Å; V90-F153 HydrophobicContact CG2-CE1 4.09Å; V90-F153 HydrophobicContact CG2-CE2 3.94Å; V90-F153 HydrophobicContact CG2-CZ 3.74Å; L101-F153 HydrophobicContact CD1-CE1 3.89Å; L101-F153 HydrophobicContact CD1-CZ 4.15Å; L101-F153 HydrophobicContact CG-CE1 4.34Å; L101-F153 HydrophobicContact CG-CZ 4.09Å; F122-F153 HydrophobicContact CE1-CD1 4.14Å; F122-F153 HydrophobicContact CE2-CD1 4.36Å; F122-F153 AromaticContact CE2-CE1 3.98Å; F122-F153 HydrophobicContact CE2-CE1 3.98Å; F122-F153 AromaticContact CZ-CD1 3.68Å; F122-F153 HydrophobicContact CZ-CD1 3.68Å; F122-F153 AromaticContact CZ-CE1 3.75Å; F122-F153 HydrophobicContact CZ-CE1 3.75Å; F144-F153 HydrophobicContact CE1-CB 3.7Å; F144-F153 HydrophobicContact CE1-CD1 4.3Å; F144-F153 AromaticContact CE1-CD2 3.92Å; F144-F153 HydrophobicContact CE1-CD2 3.92Å; F144-F153 AromaticContact CE1-CG 3.72Å; F144-F153 HydrophobicContact CE1-CG 3.72Å; F144-F153 HydrophobicContact CZ-CB 3.76Å; F144-F153 AromaticContact CZ-CD1 3.69Å; F144-F153 HydrophobicContact CZ-CD1 3.69Å; F144-F153 HydrophobicContact CZ-CD2 4.11Å; F144-F153 HydrophobicContact CZ-CE1 4.29Å; F144-F153 AromaticContact CZ-CG 3.58Å; F144-F153 HydrophobicContact CZ-CG 3.58Å; N149-F153 VanDerWaalsContact O-CB 3.27Å; N149-F153 WeakPolarHBondContact O-CB 3.43Å; N149-F153 PolarHBondContact O-N 3.03Å; N149-F153 VanDerWaalsContact O-N 3.16Å; A150-F153 PolarHBondContact O-N 3.05Å; F153-E156 PolarHBondContact O-N 2.91Å; F153-V157 HydrophobicContact CD1-CG2 3.82Å; F153-V157 HydrophobicContact CE1-CG2 3.68Å; F153-V157 WeakPolarHBondContact O-CB 3.34Å; F153-V157 VanDerWaalsContact O-CG2 3.3Å; F153-V157 WeakPolarHBondContact O-CG2 3.22Å; F153-V157 PolarHBondContact O-N 3.38Å
154	C	97.5	Very high	96.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.8	-42.2	172.4	-67.9	0	0	0	0	111.7	V124 A150 S151 V157 C158 Q174 V176	V124-C154 VanDerWaalsContact CG2-SG 3.51Å; A150-C154 PolarHBondContact O-N 3.46Å; A150-C154 PolarHBondContact O-SG 3.43Å; S151-C154 PolarHBondContact O-N 2.94Å; C154-V157 PolarHBondContact O-N 2.8Å; C154-C158 WeakPolarHBondContact O-CB 3.5Å; C154-C158 PolarHBondContact O-N 3.11Å; C154-Q174 HydrophobicContact CB-CG 4.19Å; C154-Q174 WeakPolarHBondContact O-CG 3.42Å; C154-V176 HydrophobicContact CB-CG2 4.44Å
155	K	97.1	Very high	96.1	Very high	35 Å²	35	31.4 Å²	31.4	15%	0.152	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-45	176.6	-69.2	173.2	-168.7	-167.5	0	111.2	S151 D152 C158 L159 V176 L245 E272	S151-K155 WeakPolarHBondContact O-CG 3.48Å; S151-K155 PolarHBondContact O-N 3.09Å; D152-K155 PolarHBondContact O-N 2.86Å; K155-C158 VanDerWaalsContact O-CB 3.3Å; K155-C158 WeakPolarHBondContact O-CB 3.49Å; K155-C158 PolarHBondContact O-N 3.41Å; K155-C158 VanDerWaalsContact O-N 3.14Å; K155-L159 WeakPolarHBondContact O-CG 3.38Å; K155-L159 PolarHBondContact O-N 3.16Å; K155-V176 HydrophobicContact CG-CG2 4.34Å; K155-L245 HydrophobicContact CB-CD2 4.32Å; K155-L245 HydrophobicContact CG-CD2 4.29Å; K155-E272 WeakPolarHBondContact CE-OE1 3.14Å; K155-E272 WeakPolarHBondContact CE-OE2 3.21Å; K155-E272 IonicContact NZ-OE1 2.72Å; K155-E272 PolarHBondContact NZ-OE1 3.11Å; K155-E272 IonicContact NZ-OE2 3.52Å; K155-E272 PolarHBondContact NZ-OE2 2.93Å
156	E	97.4	Very high	95.7	Very high	39 Å²	39	31 Å²	31	18%	0.182	17%	0.17	C	C	.	.	H	α-helix	trans	-66.5	-39.8	177.8	-169.2	54.8	-137.8	0	0	112.7	L65 L66 V90 D152 F153 C158 L159 A160	L65-E156 HydrophobicContact CB-CG 4.19Å; L65-E156 WeakPolarHBondContact CB-OE1 3.4Å; L65-E156 VanDerWaalsContact CD1-OE1 3.24Å; L65-E156 WeakPolarHBondContact CD1-OE1 3.41Å; L66-E156 HydrophobicContact CB-CB 4.23Å; L66-E156 HydrophobicContact CB-CG 3.84Å; L66-E156 HydrophobicContact CD2-CB 3.86Å; L66-E156 HydrophobicContact CD2-CG 4.41Å; V90-E156 HydrophobicContact CB-CG 3.94Å; V90-E156 HydrophobicContact CG1-CG 4.03Å; V90-E156 HydrophobicContact CG2-CB 4.45Å; V90-E156 HydrophobicContact CG2-CG 4.12Å; D152-E156 PolarHBondContact O-N 3.45Å; F153-E156 PolarHBondContact O-N 2.91Å; E156-C158 VanDerWaalsContact C-N 3.26Å; E156-C158 PolarHBondContact O-N 2.88Å; E156-L159 PolarHBondContact O-N 2.86Å; E156-A160 WeakPolarHBondContact O-CB 3.34Å; E156-A160 PolarHBondContact O-N 3.28Å
157	V	97.4	Very high	95.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-36.2	171.8	169.3	0	0	0	0	111.3	V90 F120 F122 F153 C154 A160 K161	V90-V157 HydrophobicContact CG2-CG2 3.85Å; F120-V157 HydrophobicContact CD1-CG1 4.02Å; F120-V157 HydrophobicContact CE1-CG1 4.02Å; F122-V157 HydrophobicContact CB-CG1 3.8Å; F122-V157 HydrophobicContact CD1-CG1 4.43Å; F122-V157 HydrophobicContact CG-CG1 4.02Å; F153-V157 HydrophobicContact CD1-CG2 3.82Å; F153-V157 HydrophobicContact CE1-CG2 3.68Å; F153-V157 WeakPolarHBondContact O-CB 3.34Å; F153-V157 VanDerWaalsContact O-CG2 3.3Å; F153-V157 WeakPolarHBondContact O-CG2 3.22Å; F153-V157 PolarHBondContact O-N 3.38Å; C154-V157 PolarHBondContact O-N 2.8Å; V157-A160 PolarHBondContact O-N 2.83Å; V157-K161 HydrophobicContact CG1-CD 4.19Å; V157-K161 WeakPolarHBondContact O-CB 3.35Å; V157-K161 VanDerWaalsContact O-CG 3.23Å; V157-K161 WeakPolarHBondContact O-CG 3.46Å; V157-K161 PolarHBondContact O-N 2.91Å
158	C	97.2	Very high	95.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.2	-44.4	174.9	-162.8	0	0	0	0	112.5	C154 K155 E156 K161 A162 Q174 L245 I247	C154-C158 WeakPolarHBondContact O-CB 3.5Å; C154-C158 PolarHBondContact O-N 3.11Å; K155-C158 VanDerWaalsContact O-CB 3.3Å; K155-C158 WeakPolarHBondContact O-CB 3.49Å; K155-C158 PolarHBondContact O-N 3.41Å; K155-C158 VanDerWaalsContact O-N 3.14Å; E156-C158 VanDerWaalsContact C-N 3.26Å; E156-C158 PolarHBondContact O-N 2.88Å; C158-K161 WeakPolarHBondContact O-CB 3.32Å; C158-K161 PolarHBondContact O-N 3.3Å; C158-A162 PolarHBondContact O-N 2.94Å; C158-Q174 HydrophobicContact CB-CB 3.52Å; C158-Q174 HydrophobicContact CB-CG 4.02Å; C158-Q174 VanDerWaalsContact SG-CB 3.52Å; C158-L245 HydrophobicContact CB-CB 4.49Å; C158-L245 HydrophobicContact CB-CD2 3.8Å; C158-I247 HydrophobicContact CB-CD1 4.45Å
159	L	96.6	Very high	94.8	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.042	18%	0.175	C	C	.	.	H	α-helix	trans	-61.2	-44.8	174.2	-67.7	169.6	0	0	0	111.2	K155 E156 K161 A162 N163 L199 I204 I247 I270	K155-L159 WeakPolarHBondContact O-CG 3.38Å; K155-L159 PolarHBondContact O-N 3.16Å; E156-L159 PolarHBondContact O-N 2.86Å; L159-K161 PolarHBondContact O-N 3.39Å; L159-A162 PolarHBondContact O-N 2.83Å; L159-N163 WeakPolarHBondContact O-CB 3.29Å; L159-N163 PolarHBondContact O-N 2.82Å; L159-N163 PolarHBondContact O-ND2 3.29Å; L159-L199 HydrophobicContact CD2-CD1 4.15Å; L159-I204 HydrophobicContact CD1-CD1 4.39Å; L159-I204 HydrophobicContact CD1-CG1 4.06Å; L159-I204 HydrophobicContact CD2-CG1 4.08Å; L159-I247 HydrophobicContact CD2-CD1 4.12Å; L159-I270 HydrophobicContact CD2-CD1 3.92Å
160	A	96.9	Very high	94.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.4	-40.9	175	0	0	0	0	0	112.6	V90 Y99 I116 E156 V157 S164	V90-A160 HydrophobicContact CG1-CB 3.91Å; Y99-A160 HydrophobicContact CD1-CB 3.86Å; Y99-A160 HydrophobicContact CG-CB 4.02Å; I116-A160 HydrophobicContact CB-CB 4.47Å; I116-A160 HydrophobicContact CD1-CB 3.87Å; I116-A160 HydrophobicContact CG2-CB 3.91Å; E156-A160 WeakPolarHBondContact O-CB 3.34Å; E156-A160 PolarHBondContact O-N 3.28Å; V157-A160 PolarHBondContact O-N 2.83Å; A160-S164 WeakPolarHBondContact O-CB 3.4Å; A160-S164 PolarHBondContact O-N 3.26Å; A160-S164 VanDerWaalsContact O-N 3.13Å
161	K	96.5	Very high	94.8	Very high	18 Å²	18	32 Å²	32	8%	0.078	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-49.3	172.4	-74.8	169.1	64.7	175.5	0	111.1	I116 V118 F120 V157 C158 L159 S164 V172 T173	I116-K161 HydrophobicContact CG2-CB 4.39Å; I116-K161 HydrophobicContact CG2-CG 3.69Å; V118-K161 WeakPolarHBondContact CG2-O 3.42Å; V118-K161 WeakPolarHBondContact O-CE 3.37Å; F120-K161 HydrophobicContact CB-CG 4.19Å; F120-K161 WeakPolarHBondContact O-CD 3.42Å; F120-K161 WeakPolarHBondContact O-CE 3.37Å; F120-K161 PolarHBondContact O-NZ 3.49Å; F120-K161 VanDerWaalsContact O-NZ 3.13Å; V157-K161 HydrophobicContact CG1-CD 4.19Å; V157-K161 WeakPolarHBondContact O-CB 3.35Å; V157-K161 VanDerWaalsContact O-CG 3.23Å; V157-K161 WeakPolarHBondContact O-CG 3.46Å; V157-K161 PolarHBondContact O-N 2.91Å; C158-K161 WeakPolarHBondContact O-CB 3.32Å; C158-K161 PolarHBondContact O-N 3.3Å; L159-K161 PolarHBondContact O-N 3.39Å; K161-S164 PolarHBondContact O-N 3.45Å; K161-S164 PolarHBondContact O-OG 2.95Å; K161-V172 HydrophobicContact CB-CG1 3.73Å; K161-T173 PolarHBondContact NZ-O 2.78Å
162	A	96.1	Very high	94.9	Very high	3 Å²	3	31.7 Å²	31.7	3%	0.025	18%	0.184	C	C	.	.	H	α-helix	trans	-64.7	-47.9	-179.8	0	0	0	0	0	113	C158 L159 S164 L168 V172 I247	C158-A162 PolarHBondContact O-N 2.94Å; L159-A162 PolarHBondContact O-N 2.83Å; A162-S164 PolarHBondContact O-N 3.32Å; A162-L168 HydrophobicContact CB-CD1 4.02Å; A162-V172 HydrophobicContact CB-CG2 4.41Å; A162-I247 HydrophobicContact CB-CB 4.35Å; A162-I247 HydrophobicContact CB-CD1 3.6Å; A162-I247 HydrophobicContact CB-CG2 3.96Å
163	N	95.8	Very high	94.9	Very high	12 Å²	12	31.6 Å²	31.6	6%	0.064	19%	0.186	C	C	.	.	H	α-helix	trans	-73.3	-9.9	-177.8	-69.5	-61.1	0	0	0	114.3	Y99 L159 S165 H202	Y99-N163 HydrophobicContact CE1-CB 4.23Å; Y99-N163 VanDerWaalsContact CE2-C 3.46Å; Y99-N163 HydrophobicContact CE2-CB 3.85Å; Y99-N163 VanDerWaalsContact CE2-O 3.3Å; Y99-N163 WeakPolarHBondContact CE2-O 3.3Å; Y99-N163 VanDerWaalsContact OH-CB 3.27Å; Y99-N163 WeakPolarHBondContact OH-CB 3.45Å; L159-N163 WeakPolarHBondContact O-CB 3.29Å; L159-N163 PolarHBondContact O-N 2.82Å; L159-N163 PolarHBondContact O-ND2 3.29Å; N163-S165 PolarHBondContact O-N 2.99Å; N163-H202 PolarHBondContact ND2-O 3.35Å; N163-H202 WeakPolarHBondContact OD1-CA 3.36Å; N163-H202 WeakPolarHBondContact OD1-CB 3.35Å; N163-H202 PolarHBondContact OD1-ND1 3.49Å
164	S	95.3	Very high	94.9	Very high	24 Å²	24	32 Å²	32	17%	0.168	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-12	176	72.1	0	0	0	0	114.3	H117 V118 A160 K161 A162	H117-S164 WeakPolarHBondContact CA-OG 3.38Å; V118-S164 PolarHBondContact N-OG 3.33Å; V118-S164 VanDerWaalsContact N-OG 3.08Å; A160-S164 WeakPolarHBondContact O-CB 3.4Å; A160-S164 PolarHBondContact O-N 3.26Å; A160-S164 VanDerWaalsContact O-N 3.13Å; K161-S164 PolarHBondContact O-N 3.45Å; K161-S164 PolarHBondContact O-OG 2.95Å; A162-S164 PolarHBondContact O-N 3.32Å
165	S	92.2	Very high	94.9	Very high	42 Å²	42	33.8 Å²	33.8	29%	0.294	20%	0.197	S	C	.	.	S	Bend	trans	-111.8	154.9	179.5	-166.2	0	0	0	0	113.1	R97 N163 S167	R97-S165 WeakPolarHBondContact CD-O 3.25Å; R97-S165 PolarHBondContact NE-O 3.3Å; N163-S165 PolarHBondContact O-N 2.99Å; S165-S167 WeakPolarHBondContact CB-O 3.41Å; S165-S167 PolarHBondContact OG-N 3.49Å; S165-S167 PolarHBondContact OG-O 2.88Å
166	S	85.4	Confident	94.9	Very high	92 Å²	92	32.4 Å²	32.4	64%	0.643	19%	0.191	S	C	*	.	S	Bend	trans	-68.5	-38.8	167.8	-50.1	0	0	0	0	112.2	R97	R97-S166 PolarHBondContact NH1-OG 2.93Å
167	S	85.9	Confident	94.8	Very high	67 Å²	67	33 Å²	33	47%	0.469	20%	0.195	S	C	.	.			trans	-138.9	138.5	-173.5	44.8	0	0	0	0	108.7	S165	S165-S167 WeakPolarHBondContact CB-O 3.41Å; S165-S167 PolarHBondContact OG-N 3.49Å; S165-S167 PolarHBondContact OG-O 2.88Å
168	L	91.3	Very high	94.5	Very high	28 Å²	28	35 Å²	35	15%	0.147	21%	0.206	C	C	.	.			trans	-101.7	115.5	170.7	-67.9	177.3	0	0	0	107.4	V118 A162 V172 I247 P249 T268	V118-L168 HydrophobicContact CG2-CD2 4.19Å; A162-L168 HydrophobicContact CB-CD1 4.02Å; L168-V172 HydrophobicContact CD1-CG2 4.31Å; L168-V172 HydrophobicContact CD2-CG2 3.77Å; L168-I247 HydrophobicContact CD1-CG2 4.19Å; L168-P249 HydrophobicContact CB-CB 3.83Å; L168-P249 HydrophobicContact CB-CG 4.4Å; L168-P249 WeakPolarHBondContact O-CB 3.5Å; L168-T268 HydrophobicContact CD1-CG2 4.22Å
169	E	90.8	Very high	94.2	Very high	160 Å²	160	35.8 Å²	35.8	75%	0.748	21%	0.214	S	C	*	.			trans	-94.3	-26.2	178.4	-66.6	175	-173.7	0	0	111.3
170	S	94.6	Very high	94	Very high	63 Å²	63	42.4 Å²	42.4	44%	0.441	25%	0.245	S	C	.	.	S	Bend	trans	-128.1	167.3	-179.6	57.7	0	0	0	0	111.9
171	V	96.6	Very high	93.7	Very high	21 Å²	21	45.3 Å²	45.3	13%	0.127	27%	0.274	C	S	.	.			trans	-69.5	134.2	176.3	-175.8	0	0	0	0	111.3	T173 G230 E233 I246 I248 L252	V171-T173 HydrophobicContact CG1-CG2 4Å; V171-G230 VanDerWaalsContact CG2-CA 3.44Å; V171-E233 HydrophobicContact CG2-CB 3.99Å; V171-I246 HydrophobicContact CG1-CG2 3.36Å; V171-I248 HydrophobicContact CG1-CG1 4.25Å; V171-L252 HydrophobicContact CG2-CD1 3.84Å
172	V	97.4	Very high	93.6	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.7	170.8	-171	0	0	0	0	109.1	V118 K161 A162 L168 I247	V118-V172 HydrophobicContact CG1-CG2 3.99Å; K161-V172 HydrophobicContact CB-CG1 3.73Å; A162-V172 HydrophobicContact CB-CG2 4.41Å; L168-V172 HydrophobicContact CD1-CG2 4.31Å; L168-V172 HydrophobicContact CD2-CG2 3.77Å; V172-I247 HydrophobicContact CB-CB 4.28Å; V172-I247 PolarHBondContact N-O 3.12Å; V172-I247 PolarHBondContact O-N 2.87Å
173	T	97.3	Very high	93.6	Very high	49 Å²	49	51.1 Å²	51.1	30%	0.301	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	151.4	177.4	54.5	0	0	0	0	112.3	K161 V171 L245 I246	K161-T173 PolarHBondContact NZ-O 2.78Å; V171-T173 HydrophobicContact CG1-CG2 4Å; T173-L245 WeakPolarHBondContact CA-O 3.44Å; T173-I246 HydrophobicContact CG2-CG2 4.47Å
174	Q	97.7	Very high	93.6	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.037	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	121	167.5	-176.5	51.3	56.1	0	0	109.6	F122 C154 C158 R244 L245	F122-Q174 PolarHBondContact O-NE2 2.85Å; F122-Q174 PolarHBondContact O-OE1 3.38Å; C154-Q174 HydrophobicContact CB-CG 4.19Å; C154-Q174 WeakPolarHBondContact O-CG 3.42Å; C158-Q174 HydrophobicContact CB-CB 3.52Å; C158-Q174 HydrophobicContact CB-CG 4.02Å; C158-Q174 VanDerWaalsContact SG-CB 3.52Å; Q174-R244 WeakPolarHBondContact O-CG 3.38Å; Q174-L245 PolarHBondContact N-O 3.47Å; Q174-L245 PolarHBondContact O-N 2.94Å
175	D	97.3	Very high	93.6	Very high	37 Å²	37	54.4 Å²	54.4	20%	0.198	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	143.3	169.8	-71.1	-42.9	0	0	0	110	V124 L178 R244	V124-D175 HydrophobicContact CG2-CB 4.39Å; V124-D175 WeakPolarHBondContact CG2-O 3.41Å; D175-L178 HydrophobicContact CB-CD2 4.43Å; D175-R244 IonicContact OD1-CZ 2.91Å; D175-R244 VanDerWaalsContact OD1-CZ 3.25Å; D175-R244 IonicContact OD1-NE 3.21Å; D175-R244 PolarHBondContact OD1-NE 3.31Å; D175-R244 IonicContact OD1-NH2 2.8Å; D175-R244 PolarHBondContact OD1-NH2 3.39Å; D175-R244 IonicContact OD2-NH2 3.13Å; D175-R244 PolarHBondContact OD2-NH2 3.23Å
176	V	96.4	Very high	93.7	Very high	6 Å²	6	57.3 Å²	57.3	4%	0.036	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-39.5	179.7	-177.4	0	0	0	0	109.3	C154 K155 R243 L245	C154-V176 HydrophobicContact CB-CG2 4.44Å; K155-V176 HydrophobicContact CG-CG2 4.34Å; V176-R243 WeakPolarHBondContact CA-O 3.23Å; V176-R243 HydrophobicContact CB-CB 4.17Å; V176-R243 WeakPolarHBondContact CB-O 3.28Å; V176-R243 PolarHBondContact N-O 3Å; V176-L245 HydrophobicContact CG2-CB 4.25Å
177	I	95.2	Very high	94.1	Very high	51 Å²	51	53.5 Å²	53.5	26%	0.262	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.2	158.2	-54.7	-177.8	0	0	0	107.3	E147 G179 G242 R243	E147-I177 VanDerWaalsContact OE1-CD1 3.29Å; E147-I177 WeakPolarHBondContact OE1-CD1 3.48Å; I177-G179 VanDerWaalsContact C-N 3.35Å; I177-G179 PolarHBondContact O-N 3.21Å; I177-G242 CarbonylContact O-C 3.59Å; I177-G242 VanDerWaalsContact O-CA 3.23Å; I177-G242 WeakPolarHBondContact O-CA 3.42Å; I177-R243 HydrophobicContact CB-CB 4.15Å; I177-R243 HydrophobicContact CB-CG 4.49Å; I177-R243 HydrophobicContact CD1-CG 4.16Å; I177-R243 HydrophobicContact CG1-CB 4.16Å; I177-R243 HydrophobicContact CG1-CG 4.31Å; I177-R243 PolarHBondContact N-O 3.3Å; I177-R243 PolarHBondContact O-N 2.92Å; I177-R243 VanDerWaalsContact O-O 3.1Å
178	L	91.9	Very high	94.6	Very high	43 Å²	43	50.6 Å²	50.6	23%	0.225	29%	0.29	C	S	.	.			trans	-59.5	-38.9	178.3	-74.3	-179.3	0	0	0	114.6	V124 D175 K239	V124-L178 HydrophobicContact CB-CD2 4.3Å; V124-L178 HydrophobicContact CB-CG 4.23Å; V124-L178 HydrophobicContact CG1-CG 4.24Å; V124-L178 WeakPolarHBondContact O-CD1 3.45Å; V124-L178 WeakPolarHBondContact O-CD2 3.42Å; D175-L178 HydrophobicContact CB-CD2 4.43Å; L178-K239 WeakPolarHBondContact O-CB 3.35Å
179	G	91.8	Very high	94.8	Very high	16 Å²	16	51.4 Å²	51.4	17%	0.165	30%	0.298	C	S	.	.			trans	74.5	-179.1	-167.7	0	0	0	0	0	113.8	I177 K240	I177-G179 VanDerWaalsContact C-N 3.35Å; I177-G179 PolarHBondContact O-N 3.21Å; G179-K240 CarbonylContact C-O 3.58Å; G179-K240 VanDerWaalsContact CA-O 3.23Å; G179-K240 WeakPolarHBondContact CA-O 3.33Å
180	E	91.3	Very high	95	Very high	148 Å²	148	43.9 Å²	43.9	69%	0.692	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	153.1	-170.1	-63.5	-173.8	161.5	0	0	113.4	K240	E180-K240 PolarHBondContact N-O 3.27Å; E180-K240 PolarHBondContact O-N 3.37Å
181	G	91.1	Very high	95	Very high	60 Å²	60	42.1 Å²	42.1	62%	0.619	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	82.1	-155	173.7	0	0	0	0	0	114.7	K239	G181-K239 WeakPolarHBondContact O-CD 3.46Å
182	Q	94	Very high	95	Very high	109 Å²	109	41.1 Å²	41.1	51%	0.509	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	143.4	178.1	179.7	174.8	-2.2	0	0	110.8	F280	Q182-F280 HydrophobicContact CB-CE1 3.9Å; Q182-F280 HydrophobicContact CB-CE2 4.3Å; Q182-F280 HydrophobicContact CB-CZ 3.68Å; Q182-F280 HydrophobicContact CG-CD1 4.17Å; Q182-F280 HydrophobicContact CG-CE1 3.64Å; Q182-F280 HydrophobicContact CG-CZ 3.98Å
183	A	95.6	Very high	94.9	Very high	34 Å²	34	41.7 Å²	41.7	28%	0.281	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	145.3	174.8	0	0	0	0	0	110.3	M238 K239	A183-M238 CarbonylContact C-O 3.59Å; A183-M238 VanDerWaalsContact CA-O 3.28Å; A183-M238 WeakPolarHBondContact CA-O 3.49Å; A183-K239 HydrophobicContact CB-CG 4.22Å
184	V	95.7	Very high	94.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-80.1	134.8	-173.5	-166.8	0	0	0	0	111.7	D188 M190 L222 G237 M238 L275 V278 F280	V184-D188 WeakPolarHBondContact CA-OD2 3.33Å; V184-D188 HydrophobicContact CG1-CB 3.37Å; V184-D188 WeakPolarHBondContact CG1-OD2 3.29Å; V184-M190 HydrophobicContact CB-CE 4.15Å; V184-M190 HydrophobicContact CG1-CE 3.7Å; V184-M190 HydrophobicContact CG2-CE 4.24Å; V184-L222 HydrophobicContact CB-CD1 4.39Å; V184-L222 HydrophobicContact CG1-CD1 3.75Å; V184-G237 PolarHBondContact O-N 3.3Å; V184-M238 WeakPolarHBondContact CG2-O 3.32Å; V184-M238 PolarHBondContact N-O 2.85Å; V184-L275 HydrophobicContact CG2-CD2 3.49Å; V184-L275 VanDerWaalsContact CG2-CD2 3.49Å; V184-V278 HydrophobicContact CG1-CG1 4.35Å; V184-V278 HydrophobicContact CG2-CG1 3.9Å; V184-V278 HydrophobicContact CG2-CG2 3.86Å; V184-F280 HydrophobicContact CG2-CE1 4.47Å
185	E	96	Very high	94.8	Very high	105 Å²	105	40.6 Å²	40.6	49%	0.491	24%	0.236	S	C	.	.			trans	-115.4	168.8	-176.9	-68.3	175.6	-160.5	0	0	112	G187 D188	E185-G187 PolarHBondContact O-N 2.82Å; E185-D188 PolarHBondContact N-OD2 3.48Å; E185-D188 WeakPolarHBondContact O-CB 3.23Å; E185-D188 PolarHBondContact O-N 3.09Å
186	T	94.9	Very high	94.8	Very high	102 Å²	102	38.8 Å²	38.8	63%	0.626	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	122.6	177	-53.6	0	0	0	0	110.5
187	G	93.8	Very high	94.9	Very high	13 Å²	13	40.9 Å²	40.9	13%	0.134	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.9	-20.7	-174.7	0	0	0	0	0	113.9	E185 K221 L222 S281	E185-G187 PolarHBondContact O-N 2.82Å; G187-K221 WeakPolarHBondContact O-CE 3.24Å; G187-K221 WeakPolarHBondContact O-CG 3.46Å; G187-L222 WeakPolarHBondContact CA-O 3.48Å; G187-L222 PolarHBondContact N-O 3.3Å; G187-S281 WeakPolarHBondContact O-CB 3.46Å; G187-S281 PolarHBondContact O-OG 2.88Å
188	D	95.4	Very high	95	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.027	22%	0.223	C	C	.	.			trans	-70.5	150.6	-179.1	-69.4	-24	0	0	0	112.5	V184 E185 K221 L222 F280 S281	V184-D188 WeakPolarHBondContact CA-OD2 3.33Å; V184-D188 HydrophobicContact CG1-CB 3.37Å; V184-D188 WeakPolarHBondContact CG1-OD2 3.29Å; E185-D188 PolarHBondContact N-OD2 3.48Å; E185-D188 WeakPolarHBondContact O-CB 3.23Å; E185-D188 PolarHBondContact O-N 3.09Å; D188-K221 CarbonylContact O-C 3.52Å; D188-K221 VanDerWaalsContact O-CA 3.26Å; D188-K221 WeakPolarHBondContact O-CA 3.35Å; D188-K221 WeakPolarHBondContact O-CG 3.23Å; D188-L222 PolarHBondContact O-N 2.89Å; D188-F280 WeakPolarHBondContact OD1-CA 3.45Å; D188-F280 WeakPolarHBondContact OD2-CD1 3.36Å; D188-S281 PolarHBondContact N-OG 3.11Å; D188-S281 PolarHBondContact OD1-N 3.27Å; D188-S281 PolarHBondContact OD1-OG 3.37Å; D188-S281 VanDerWaalsContact OD1-OG 3.11Å
189	S	95.3	Very high	95.1	Very high	46 Å²	46	38.3 Å²	38.3	32%	0.322	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.4	173.7	-57.7	0	0	0	0	110.6	L220 V278 K279	S189-L220 WeakPolarHBondContact CA-O 3.39Å; S189-V278 CarbonylContact O-C 3.51Å; S189-K279 PolarHBondContact N-O 2.8Å; S189-K279 PolarHBondContact O-N 2.83Å
190	M	95	Very high	95.1	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	160.4	-177.1	60.9	164.9	64.4	0	0	113.2	V184 V192 R219 L220 L222 M235 L275 R277	V184-M190 HydrophobicContact CB-CE 4.15Å; V184-M190 HydrophobicContact CG1-CE 3.7Å; V184-M190 HydrophobicContact CG2-CE 4.24Å; M190-V192 HydrophobicContact CG-CG1 4.33Å; M190-V192 HydrophobicContact SD-CG1 3.63Å; M190-R219 WeakPolarHBondContact O-CA 3.3Å; M190-L220 HydrophobicContact CG-CD1 3.66Å; M190-L220 HydrophobicContact CG-CD2 4.36Å; M190-L220 HydrophobicContact CG-CG 3.71Å; M190-L220 PolarHBondContact N-O 3.33Å; M190-L220 PolarHBondContact O-N 2.86Å; M190-L220 HydrophobicContact SD-CD1 3.84Å; M190-L220 HydrophobicContact SD-CD2 4.35Å; M190-L220 HydrophobicContact SD-CG 4.19Å; M190-L222 HydrophobicContact CE-CD1 3.87Å; M190-L222 HydrophobicContact CE-CD2 4.32Å; M190-L222 HydrophobicContact CE-CG 3.96Å; M190-M235 HydrophobicContact CE-CB 4.25Å; M190-M235 HydrophobicContact SD-CE 3.91Å; M190-M235 HydrophobicContact SD-SD 3.75Å; M190-L275 HydrophobicContact CB-CD1 3.58Å; M190-L275 HydrophobicContact CE-CD1 3.97Å; M190-L275 HydrophobicContact CE-CD2 4.38Å; M190-L275 HydrophobicContact CG-CD1 4.28Å; M190-L275 HydrophobicContact SD-CD1 3.85Å; M190-R277 CarbonylContact C-O 3.51Å; M190-R277 WeakPolarHBondContact CA-O 3.42Å
191	E	94.9	Very high	95.1	Very high	25 Å²	25	41.8 Å²	41.8	12%	0.117	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.2	169.2	-57.9	-176.3	177.4	0	0	110	L217 L218 R219 R276 R277	E191-L217 HydrophobicContact CB-CB 4.03Å; E191-L217 HydrophobicContact CB-CD1 3.97Å; E191-L218 WeakPolarHBondContact CA-O 3.38Å; E191-R219 HydrophobicContact CG-CB 3.99Å; E191-R219 HydrophobicContact CG-CG 3.96Å; E191-R219 IonicContact OE1-CZ 3.21Å; E191-R219 IonicContact OE1-NE 2.73Å; E191-R219 PolarHBondContact OE1-NE 2.91Å; E191-R219 IonicContact OE1-NH2 2.94Å; E191-R219 PolarHBondContact OE1-NH2 3.45Å; E191-R276 PolarHBondContact O-N 2.79Å; E191-R276 VanDerWaalsContact O-N 3.09Å; E191-R277 HydrophobicContact CB-CB 4.21Å; E191-R277 PolarHBondContact N-O 2.93Å; E191-R277 PolarHBondContact O-N 3Å; E191-R277 VanDerWaalsContact O-N 3.17Å; E191-R277 IonicContact OE2-CZ 2.69Å; E191-R277 IonicContact OE2-NE 3.79Å; E191-R277 PolarHBondContact OE2-NE 2.69Å; E191-R277 IonicContact OE2-NH2 2.62Å; E191-R277 PolarHBondContact OE2-NH2 2.62Å
192	V	95.9	Very high	95.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	147.7	-172.4	-59.7	0	0	0	0	112.9	M190 N211 L218 L220 W231 M235 V273 E274 L275	M190-V192 HydrophobicContact CG-CG1 4.33Å; M190-V192 HydrophobicContact SD-CG1 3.63Å; V192-N211 PolarHBondContact O-ND2 3.28Å; V192-L218 HydrophobicContact CG2-CB 4.09Å; V192-L218 HydrophobicContact CG2-CD2 4.44Å; V192-L218 HydrophobicContact CG2-CG 4.44Å; V192-L218 PolarHBondContact N-O 2.94Å; V192-L218 PolarHBondContact O-N 2.81Å; V192-L220 HydrophobicContact CG2-CD2 4.08Å; V192-W231 HydrophobicContact CG2-CH2 4.16Å; V192-W231 HydrophobicContact CG2-CZ3 3.85Å; V192-M235 HydrophobicContact CG1-SD 4.28Å; V192-V273 HydrophobicContact CB-CG1 3.87Å; V192-V273 HydrophobicContact CG1-CG1 3.89Å; V192-V273 HydrophobicContact CG2-CG1 4.31Å; V192-E274 VanDerWaalsContact CA-O 3.29Å; V192-E274 WeakPolarHBondContact CA-O 3.42Å; V192-L275 HydrophobicContact CG1-CD1 3.9Å
193	V	96.3	Very high	95.1	Very high	16 Å²	16	39.5 Å²	39.5	10%	0.097	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	142.6	154	176	0	0	0	0	107.5	N211 Q212 L217 E274 R276	V193-N211 VanDerWaalsContact CA-OD1 3.24Å; V193-N211 WeakPolarHBondContact CA-OD1 3.44Å; V193-Q212 HydrophobicContact CG1-CB 3.92Å; V193-Q212 HydrophobicContact CG1-CG 4.11Å; V193-L217 HydrophobicContact CG2-CD2 3.46Å; V193-L217 VanDerWaalsContact CG2-CD2 3.46Å; V193-E274 HydrophobicContact CB-CB 4.28Å; V193-E274 PolarHBondContact N-O 2.86Å; V193-E274 PolarHBondContact O-N 3.32Å; V193-R276 HydrophobicContact CG2-CG 3.85Å
194	Y	96.4	Very high	95	Very high	25 Å²	25	41.1 Å²	41.1	10%	0.098	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	155.1	174.8	73.4	-80.4	0	0	0	112.1	D209 S210 N211 L218 W231 F271 E272	Y194-D209 HydrophobicContact CE2-CB 3.99Å; Y194-D209 VanDerWaalsContact OH-CG 3.3Å; Y194-D209 PolarHBondContact OH-OD2 3.02Å; Y194-S210 VanDerWaalsContact O-CA 3.31Å; Y194-S210 WeakPolarHBondContact O-CA 3.32Å; Y194-S210 PolarHBondContact O-OG 2.86Å; Y194-N211 HydrophobicContact CD1-CB 4.19Å; Y194-N211 VanDerWaalsContact CD1-CG 3.45Å; Y194-N211 VanDerWaalsContact CD1-OD1 3.28Å; Y194-N211 WeakPolarHBondContact CD1-OD1 3.41Å; Y194-N211 HydrophobicContact CE1-CB 3.8Å; Y194-N211 PolarHBondContact N-OD1 2.96Å; Y194-N211 PolarHBondContact O-N 3.44Å; Y194-N211 PolarHBondContact O-OD1 2.96Å; Y194-L218 HydrophobicContact CD1-CB 4.39Å; Y194-L218 HydrophobicContact CD1-CD2 4.08Å; Y194-L218 HydrophobicContact CE1-CB 4.06Å; Y194-L218 HydrophobicContact CE1-CD2 3.58Å; Y194-L218 HydrophobicContact CE1-CG 4.46Å; Y194-W231 AromaticContact CD1-CH2 3.65Å; Y194-W231 HydrophobicContact CD1-CH2 3.65Å; Y194-W231 HydrophobicContact CD1-CZ2 4.32Å; Y194-W231 AromaticContact CD2-CH2 3.93Å; Y194-W231 HydrophobicContact CD2-CH2 3.93Å; Y194-W231 AromaticContact CD2-CZ2 3.74Å; Y194-W231 HydrophobicContact CD2-CZ2 3.74Å; Y194-W231 HydrophobicContact CE1-CH2 4.15Å; Y194-W231 HydrophobicContact CE2-CH2 4.39Å; Y194-W231 HydrophobicContact CE2-CZ2 4.26Å; Y194-W231 AromaticContact CG-CH2 3.52Å; Y194-W231 HydrophobicContact CG-CH2 3.52Å; Y194-W231 AromaticContact CG-CZ2 3.77Å; Y194-W231 HydrophobicContact CG-CZ2 3.77Å; Y194-F271 AromaticContact CD2-CD1 3.98Å; Y194-F271 HydrophobicContact CD2-CD1 3.98Å; Y194-F271 HydrophobicContact CD2-CE1 4.06Å; Y194-F271 HydrophobicContact CE2-CE1 4.28Å; Y194-E272 WeakPolarHBondContact CA-O 3.5Å
195	T	97.1	Very high	95	Very high	8 Å²	8	42.1 Å²	42.1	5%	0.049	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142	162.1	-62.7	0	0	0	0	108.8	W197 M207 S210 F271 E272	T195-W197 HydrophobicContact CG2-CD2 4.1Å; T195-W197 HydrophobicContact CG2-CE3 4.22Å; T195-W197 HydrophobicContact CG2-CH2 3.54Å; T195-W197 HydrophobicContact CG2-CZ2 3.35Å; T195-W197 HydrophobicContact CG2-CZ3 3.96Å; T195-W197 VanDerWaalsContact O-CZ3 3.29Å; T195-W197 WeakPolarHBondContact O-CZ3 3.24Å; T195-M207 HydrophobicContact CG2-CG 3.81Å; T195-M207 HydrophobicContact CG2-SD 3.45Å; T195-M207 WeakPolarHBondContact CG2-SD 3.32Å; T195-S210 WeakPolarHBondContact OG1-CB 3.23Å; T195-S210 PolarHBondContact OG1-OG 3.07Å; T195-F271 WeakPolarHBondContact O-CA 3.42Å; T195-E272 PolarHBondContact N-O 3.44Å; T195-E272 PolarHBondContact O-N 3.06Å
196	G	97	Very high	94.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.5	-172.2	0	0	0	0	0	112.7	M207 F208 D209 I270	G196-M207 WeakPolarHBondContact O-CA 3.22Å; G196-F208 VanDerWaalsContact C-CE1 3.47Å; G196-F208 WeakPolarHBondContact O-CD1 3.29Å; G196-F208 PolarHBondContact O-N 2.84Å; G196-D209 PolarHBondContact N-O 3.38Å; G196-D209 PolarHBondContact O-N 3.49Å; G196-I270 CarbonylContact C-O 3.51Å; G196-I270 VanDerWaalsContact CA-O 3.3Å; G196-I270 WeakPolarHBondContact CA-O 3.37Å
197	W	98	Very high	95	Very high	49 Å²	49	43.6 Å²	43.6	19%	0.186	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	155.6	-178.4	-55.5	-101.4	0	0	0	111.8	T195 I204 Q206 M207 F208 I270 E272	T195-W197 HydrophobicContact CG2-CD2 4.1Å; T195-W197 HydrophobicContact CG2-CE3 4.22Å; T195-W197 HydrophobicContact CG2-CH2 3.54Å; T195-W197 HydrophobicContact CG2-CZ2 3.35Å; T195-W197 HydrophobicContact CG2-CZ3 3.96Å; T195-W197 VanDerWaalsContact O-CZ3 3.29Å; T195-W197 WeakPolarHBondContact O-CZ3 3.24Å; W197-I204 HydrophobicContact CB-CG2 3.66Å; W197-I204 HydrophobicContact CD2-CG2 3.84Å; W197-I204 HydrophobicContact CG-CG2 3.45Å; W197-I204 VanDerWaalsContact CG-CG2 3.45Å; W197-Q206 CarbonylContact C-O 3.56Å; W197-Q206 VanDerWaalsContact CA-O 3.31Å; W197-Q206 WeakPolarHBondContact CA-O 3.32Å; W197-M207 HydrophobicContact CG-CB 4.34Å; W197-F208 WeakPolarHBondContact O-CE1 3.4Å; W197-I270 HydrophobicContact CB-CB 4.49Å; W197-I270 HydrophobicContact CE3-CG2 4.49Å; W197-I270 PolarHBondContact N-O 2.77Å; W197-I270 PolarHBondContact O-N 3.24Å; W197-E272 HydrophobicContact CH2-CB 3.99Å; W197-E272 HydrophobicContact CZ3-CB 3.69Å
198	L	96.8	Very high	95	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	137.3	169.6	-55.5	178.7	0	0	0	109.8	Q200 G205 Q206 F208 V263 P264 L269	L198-Q200 HydrophobicContact CB-CG 3.9Å; L198-Q200 PolarHBondContact O-N 2.68Å; L198-G205 VanDerWaalsContact O-CA 3.29Å; L198-G205 WeakPolarHBondContact O-CA 3.36Å; L198-G205 PolarHBondContact O-N 3Å; L198-Q206 HydrophobicContact CD1-CB 4.46Å; L198-Q206 PolarHBondContact N-O 3.25Å; L198-F208 HydrophobicContact CD2-CD1 3.72Å; L198-F208 HydrophobicContact CD2-CE1 4.11Å; L198-F208 HydrophobicContact CG-CD1 4.07Å; L198-V263 HydrophobicContact CD2-CG1 4.09Å; L198-P264 HydrophobicContact CD1-CG 4.21Å; L198-L269 HydrophobicContact CD2-CD2 3.71Å
199	L	95.2	Very high	94.9	Very high	37 Å²	37	44.5 Å²	44.5	19%	0.194	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	114.8	166.3	179.4	70.3	0	0	0	108.3	L159 T268 I270	L159-L199 HydrophobicContact CD2-CD1 4.15Å; L199-T268 HydrophobicContact CB-CG2 4.05Å; L199-T268 HydrophobicContact CD2-CG2 3.67Å; L199-T268 PolarHBondContact N-O 2.73Å; L199-I270 HydrophobicContact CB-CD1 4Å; L199-I270 HydrophobicContact CB-CG1 4.04Å; L199-I270 HydrophobicContact CD1-CD1 3.84Å
200	Q	92.4	Very high	94.9	Very high	77 Å²	77	43.4 Å²	43.4	36%	0.36	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134	-175.4	-66.8	176.3	-34.1	0	0	109.8	L198 H202 A203	L198-Q200 HydrophobicContact CB-CG 3.9Å; L198-Q200 PolarHBondContact O-N 2.68Å; Q200-H202 PolarHBondContact O-N 3.26Å; Q200-H202 VanDerWaalsContact O-N 3.14Å; Q200-A203 PolarHBondContact N-O 2.85Å; Q200-A203 CarbonylContact O-C 3.53Å; Q200-A203 PolarHBondContact O-N 3.5Å; Q200-A203 VanDerWaalsContact O-O 3.07Å
201	N	90.3	Very high	94.9	Very high	160 Å²	160	43.6 Å²	43.6	86%	0.856	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	39.3	179.5	-55.8	-25.2	0	0	0	113.6	A203	N201-A203 PolarHBondContact O-N 2.87Å
202	H	91.5	Very high	94.5	Very high	72 Å²	72	48.7 Å²	48.7	33%	0.333	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	4.6	-174.7	-53.5	-68.2	0	0	0	116.7	H94 N163 Q200	H94-H202 AromaticContact CG-CD2 3.73Å; H94-H202 AromaticContact CG-CG 3.98Å; H94-H202 AromaticContact ND1-CD2 3.89Å; H94-H202 AromaticContact ND1-CG 3.65Å; N163-H202 PolarHBondContact ND2-O 3.35Å; N163-H202 WeakPolarHBondContact OD1-CA 3.36Å; N163-H202 WeakPolarHBondContact OD1-CB 3.35Å; N163-H202 PolarHBondContact OD1-ND1 3.49Å; Q200-H202 PolarHBondContact O-N 3.26Å; Q200-H202 VanDerWaalsContact O-N 3.14Å
203	A	93.6	Very high	93.8	Very high	48 Å²	48	56 Å²	56	40%	0.397	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	174.9	-179	0	0	0	0	0	112.7	Q200 N201 G205	Q200-A203 PolarHBondContact N-O 2.85Å; Q200-A203 CarbonylContact O-C 3.53Å; Q200-A203 PolarHBondContact O-N 3.5Å; Q200-A203 VanDerWaalsContact O-O 3.07Å; N201-A203 PolarHBondContact O-N 2.87Å; A203-G205 PolarHBondContact O-N 2.81Å
204	I	94.5	Very high	93.1	Very high	68 Å²	68	60.5 Å²	60.5	35%	0.349	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	113	168.8	-56.5	176.8	0	0	0	108.1	L159 W197 I270	L159-I204 HydrophobicContact CD1-CD1 4.39Å; L159-I204 HydrophobicContact CD1-CG1 4.06Å; L159-I204 HydrophobicContact CD2-CG1 4.08Å; W197-I204 HydrophobicContact CB-CG2 3.66Å; W197-I204 HydrophobicContact CD2-CG2 3.84Å; W197-I204 HydrophobicContact CG-CG2 3.45Å; W197-I204 VanDerWaalsContact CG-CG2 3.45Å; I204-I270 HydrophobicContact CB-CD1 4.31Å; I204-I270 HydrophobicContact CG1-CD1 3.85Å
205	G	94.3	Very high	92.1	Very high	22 Å²	22	67.9 Å²	67.9	23%	0.227	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-144.8	-179.5	0	0	0	0	0	113.3	L198 A203 M207	L198-G205 VanDerWaalsContact O-CA 3.29Å; L198-G205 WeakPolarHBondContact O-CA 3.36Å; L198-G205 PolarHBondContact O-N 3Å; A203-G205 PolarHBondContact O-N 2.81Å; G205-M207 PolarHBondContact O-N 3.19Å
206	Q	94.8	Very high	91.5	Very high	132 Å²	132	76.1 Å²	76.1	62%	0.617	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.6	129.1	-177.3	-173	177.8	12	0	0	112.9	W197 L198	W197-Q206 CarbonylContact C-O 3.56Å; W197-Q206 VanDerWaalsContact CA-O 3.31Å; W197-Q206 WeakPolarHBondContact CA-O 3.32Å; L198-Q206 HydrophobicContact CD1-CB 4.46Å; L198-Q206 PolarHBondContact N-O 3.25Å
207	M	96	Very high	91.2	Very high	107 Å²	107	77.8 Å²	77.8	53%	0.527	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	130.6	168.5	-171	-179.8	69.4	0	0	110.1	T195 G196 W197 G205	T195-M207 HydrophobicContact CG2-CG 3.81Å; T195-M207 HydrophobicContact CG2-SD 3.45Å; T195-M207 WeakPolarHBondContact CG2-SD 3.32Å; G196-M207 WeakPolarHBondContact O-CA 3.22Å; W197-M207 HydrophobicContact CG-CB 4.34Å; G205-M207 PolarHBondContact O-N 3.19Å
208	F	94.9	Very high	90.9	Very high	19 Å²	19	78.2 Å²	78.2	8%	0.083	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-24	179.4	68.3	-95.6	0	0	0	113.7	G196 W197 L198 R262 V263 L269 F271	G196-F208 VanDerWaalsContact C-CE1 3.47Å; G196-F208 WeakPolarHBondContact O-CD1 3.29Å; G196-F208 PolarHBondContact O-N 2.84Å; W197-F208 WeakPolarHBondContact O-CE1 3.4Å; L198-F208 HydrophobicContact CD2-CD1 3.72Å; L198-F208 HydrophobicContact CD2-CE1 4.11Å; L198-F208 HydrophobicContact CG-CD1 4.07Å; F208-R262 HydrophobicContact CB-CG 4.16Å; F208-R262 VanDerWaalsContact CB-O 3.31Å; F208-R262 WeakPolarHBondContact CB-O 3.39Å; F208-R262 HydrophobicContact CD2-CG 4.39Å; F208-R262 PolarHBondContact O-NE 3.12Å; F208-R262 PolarHBondContact O-NH2 3.4Å; F208-V263 HydrophobicContact CB-CG2 4.48Å; F208-V263 HydrophobicContact CD1-CG2 4.39Å; F208-V263 HydrophobicContact CD2-CG2 3.66Å; F208-V263 HydrophobicContact CE2-CG2 3.94Å; F208-V263 HydrophobicContact CG-CG2 3.92Å; F208-V263 HydrophobicContact CZ-CG2 4.42Å; F208-L269 HydrophobicContact CE1-CB 4.4Å; F208-L269 HydrophobicContact CE1-CD2 3.87Å; F208-L269 HydrophobicContact CE1-CG 4.49Å; F208-L269 HydrophobicContact CZ-CB 4.42Å; F208-L269 HydrophobicContact CZ-CD1 3.97Å; F208-L269 HydrophobicContact CZ-CD2 4.12Å; F208-L269 HydrophobicContact CZ-CG 4.4Å; F208-F271 HydrophobicContact CE2-CE1 4.3Å; F208-F271 HydrophobicContact CE2-CZ 4.09Å; F208-F271 AromaticContact CZ-CE1 3.92Å; F208-F271 HydrophobicContact CZ-CE1 3.92Å; F208-F271 HydrophobicContact CZ-CE2 4.2Å; F208-F271 AromaticContact CZ-CZ 3.57Å; F208-F271 HydrophobicContact CZ-CZ 3.57Å
209	D	93.2	Very high	90.8	Very high	18 Å²	18	86.8 Å²	86.8	10%	0.096	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	154.2	175.4	-156.2	3.2	0	0	0	112.8	Y194 G196 K214 R262	Y194-D209 HydrophobicContact CE2-CB 3.99Å; Y194-D209 VanDerWaalsContact OH-CG 3.3Å; Y194-D209 PolarHBondContact OH-OD2 3.02Å; G196-D209 PolarHBondContact N-O 3.38Å; G196-D209 PolarHBondContact O-N 3.49Å; D209-K214 IonicContact OD1-NZ 2.72Å; D209-R262 VanDerWaalsContact CB-NH2 3.31Å; D209-R262 VanDerWaalsContact CG-CZ 3.4Å; D209-R262 IonicContact OD1-CZ 3.02Å; D209-R262 IonicContact OD1-NH1 3.25Å; D209-R262 IonicContact OD1-NH2 3.05Å; D209-R262 PolarHBondContact OD1-NH2 3.37Å; D209-R262 IonicContact OD2-CZ 3.85Å; D209-R262 IonicContact OD2-NH1 2.61Å; D209-R262 PolarHBondContact OD2-NH1 2.96Å; D209-R262 IonicContact OD2-NH2 2.82Å; D209-R262 PolarHBondContact OD2-NH2 2.87Å
210	S	94.8	Very high	90.7	Very high	23 Å²	23	85.7 Å²	85.7	16%	0.161	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	151.9	167.4	-177.2	0	0	0	0	109.6	Y194 T195 Q212 K214	Y194-S210 VanDerWaalsContact O-CA 3.31Å; Y194-S210 WeakPolarHBondContact O-CA 3.32Å; Y194-S210 PolarHBondContact O-OG 2.86Å; T195-S210 WeakPolarHBondContact OG1-CB 3.23Å; T195-S210 PolarHBondContact OG1-OG 3.07Å; S210-Q212 WeakPolarHBondContact OG-CB 3.32Å; S210-Q212 PolarHBondContact OG-N 2.82Å; S210-K214 VanDerWaalsContact O-CE 3.27Å; S210-K214 WeakPolarHBondContact O-CE 3.48Å; S210-K214 PolarHBondContact O-NZ 2.68Å
211	N	94.2	Very high	90.8	Very high	5 Å²	5	87 Å²	87	3%	0.027	43%	0.431	C	S	.	.			trans	-117.8	11	162.2	76.4	-16.7	0	0	0	113.6	V192 V193 Y194 N213 K214 L218	V192-N211 PolarHBondContact O-ND2 3.28Å; V193-N211 VanDerWaalsContact CA-OD1 3.24Å; V193-N211 WeakPolarHBondContact CA-OD1 3.44Å; Y194-N211 HydrophobicContact CD1-CB 4.19Å; Y194-N211 VanDerWaalsContact CD1-CG 3.45Å; Y194-N211 VanDerWaalsContact CD1-OD1 3.28Å; Y194-N211 WeakPolarHBondContact CD1-OD1 3.41Å; Y194-N211 HydrophobicContact CE1-CB 3.8Å; Y194-N211 PolarHBondContact N-OD1 2.96Å; Y194-N211 PolarHBondContact O-N 3.44Å; Y194-N211 PolarHBondContact O-OD1 2.96Å; N211-N213 PolarHBondContact O-N 3.21Å; N211-K214 HydrophobicContact CB-CB 4.33Å; N211-K214 HydrophobicContact CB-CD 4.03Å; N211-K214 PolarHBondContact O-N 3.07Å; N211-K214 VanDerWaalsContact O-N 3.07Å; N211-L218 PolarHBondContact ND2-N 3.38Å; N211-L218 VanDerWaalsContact ND2-N 3.14Å
212	Q	88	Confident	91	Very high	132 Å²	132	79.5 Å²	79.5	62%	0.617	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-32	-179.5	-170.1	168	3.8	0	0	112.7	V193 S210	V193-Q212 HydrophobicContact CG1-CB 3.92Å; V193-Q212 HydrophobicContact CG1-CG 4.11Å; S210-Q212 WeakPolarHBondContact OG-CB 3.32Å; S210-Q212 PolarHBondContact OG-N 2.82Å
213	N	81.1	Confident	91.1	Very high	154 Å²	154	78.7 Å²	78.7	82%	0.824	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	27.3	177.2	-58.3	4.2	0	0	0	112.4	N211	N211-N213 PolarHBondContact O-N 3.21Å
214	K	81.5	Confident	91	Very high	110 Å²	110	78.3 Å²	78.3	48%	0.478	40%	0.399	S	S	.	.	S	Bend	trans	-124.2	129.5	179.2	-62	177	-175.8	151.2	0	109.6	D209 S210 N211 K216	D209-K214 IonicContact OD1-NZ 2.72Å; S210-K214 VanDerWaalsContact O-CE 3.27Å; S210-K214 WeakPolarHBondContact O-CE 3.48Å; S210-K214 PolarHBondContact O-NZ 2.68Å; N211-K214 HydrophobicContact CB-CB 4.33Å; N211-K214 HydrophobicContact CB-CD 4.03Å; N211-K214 PolarHBondContact O-N 3.07Å; N211-K214 VanDerWaalsContact O-N 3.07Å; K214-K216 PolarHBondContact O-N 3.27Å
215	D	75.8	Confident	90.8	Very high	180 Å²	180	78.2 Å²	78.2	96%	0.963	41%	0.414	S	S	*	.	S	Bend	trans	-59.8	-16.7	-177.5	-50.6	-60.2	0	0	0	114.3
216	K	82.9	Confident	90.6	Very high	182 Å²	182	85.8 Å²	85.8	79%	0.791	44%	0.441	S	S	*	.	S	Bend	trans	-111.2	104.9	-175.4	-165.8	173.3	-175.5	176.6	0	111.2	K214	K214-K216 PolarHBondContact O-N 3.27Å
217	L	90.7	Very high	90.5	Very high	35 Å²	35	81.1 Å²	81.1	18%	0.183	42%	0.422	C	S	.	.			trans	-55.8	148	170.7	-58.3	-170.6	0	0	0	111.7	E191 V193 R219 R276	E191-L217 HydrophobicContact CB-CB 4.03Å; E191-L217 HydrophobicContact CB-CD1 3.97Å; V193-L217 HydrophobicContact CG2-CD2 3.46Å; V193-L217 VanDerWaalsContact CG2-CD2 3.46Å; L217-R219 PolarHBondContact O-N 2.86Å; L217-R276 HydrophobicContact CD1-CB 3.67Å; L217-R276 HydrophobicContact CD1-CG 4.02Å
218	L	92.8	Very high	90.5	Very high	58 Å²	58	77.2 Å²	77.2	30%	0.304	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	111.2	175.6	176.8	58.7	0	0	0	109	E191 V192 Y194 N211 L220 W231	E191-L218 WeakPolarHBondContact CA-O 3.38Å; V192-L218 HydrophobicContact CG2-CB 4.09Å; V192-L218 HydrophobicContact CG2-CD2 4.44Å; V192-L218 HydrophobicContact CG2-CG 4.44Å; V192-L218 PolarHBondContact N-O 2.94Å; V192-L218 PolarHBondContact O-N 2.81Å; Y194-L218 HydrophobicContact CD1-CB 4.39Å; Y194-L218 HydrophobicContact CD1-CD2 4.08Å; Y194-L218 HydrophobicContact CE1-CB 4.06Å; Y194-L218 HydrophobicContact CE1-CD2 3.58Å; Y194-L218 HydrophobicContact CE1-CG 4.46Å; N211-L218 PolarHBondContact ND2-N 3.38Å; N211-L218 VanDerWaalsContact ND2-N 3.14Å; L218-L220 HydrophobicContact CG-CD2 4.4Å; L218-W231 HydrophobicContact CD2-CH2 3.75Å; L218-W231 HydrophobicContact CD2-CZ3 3.59Å
219	R	93.8	Very high	90.5	Very high	184 Å²	184	83.1 Å²	83.1	69%	0.694	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	124.9	175.6	-173.1	-176.5	-66.2	152.8	1.1	110.5	M190 E191 L217	M190-R219 WeakPolarHBondContact O-CA 3.3Å; E191-R219 HydrophobicContact CG-CB 3.99Å; E191-R219 HydrophobicContact CG-CG 3.96Å; E191-R219 IonicContact OE1-CZ 3.21Å; E191-R219 IonicContact OE1-NE 2.73Å; E191-R219 PolarHBondContact OE1-NE 2.91Å; E191-R219 IonicContact OE1-NH2 2.94Å; E191-R219 PolarHBondContact OE1-NH2 3.45Å; L217-R219 PolarHBondContact O-N 2.86Å
220	L	94	Very high	90.7	Very high	14 Å²	14	82.2 Å²	82.2	7%	0.073	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	169	177.8	66.9	101.2	0	0	0	111.1	S189 M190 V192 L218 L222 V227 W231 M235	S189-L220 WeakPolarHBondContact CA-O 3.39Å; M190-L220 HydrophobicContact CG-CD1 3.66Å; M190-L220 HydrophobicContact CG-CD2 4.36Å; M190-L220 HydrophobicContact CG-CG 3.71Å; M190-L220 PolarHBondContact N-O 3.33Å; M190-L220 PolarHBondContact O-N 2.86Å; M190-L220 HydrophobicContact SD-CD1 3.84Å; M190-L220 HydrophobicContact SD-CD2 4.35Å; M190-L220 HydrophobicContact SD-CG 4.19Å; V192-L220 HydrophobicContact CG2-CD2 4.08Å; L218-L220 HydrophobicContact CG-CD2 4.4Å; L220-L222 HydrophobicContact CD1-CD2 4.08Å; L220-V227 HydrophobicContact CB-CG1 4.33Å; L220-V227 HydrophobicContact CD2-CG1 4.38Å; L220-W231 HydrophobicContact CD2-CE3 3.93Å; L220-W231 HydrophobicContact CD2-CZ3 3.77Å; L220-M235 HydrophobicContact CD1-CE 3.6Å; L220-M235 HydrophobicContact CD2-CE 3.82Å; L220-M235 HydrophobicContact CD2-SD 4.46Å; L220-M235 HydrophobicContact CG-CE 4.36Å
221	K	95.1	Very high	90.7	Very high	105 Å²	105	81.6 Å²	81.6	46%	0.457	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.4	173.8	-175.3	-165.6	-179.4	-165.4	0	107.9	G187 D188 A224	G187-K221 WeakPolarHBondContact O-CE 3.24Å; G187-K221 WeakPolarHBondContact O-CG 3.46Å; D188-K221 CarbonylContact O-C 3.52Å; D188-K221 VanDerWaalsContact O-CA 3.26Å; D188-K221 WeakPolarHBondContact O-CA 3.35Å; D188-K221 WeakPolarHBondContact O-CG 3.23Å; K221-A224 HydrophobicContact CB-CB 4.04Å; K221-A224 HydrophobicContact CD-CB 4.48Å; K221-A224 WeakPolarHBondContact O-CB 3.19Å; K221-A224 PolarHBondContact O-N 3.1Å
222	L	94.6	Very high	90.7	Very high	2 Å²	2	82.9 Å²	82.9	1%	0.01	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	144	177.5	-72.6	-174.5	0	0	0	111.1	V184 G187 D188 M190 L220 A224 E232 M235 L236	V184-L222 HydrophobicContact CB-CD1 4.39Å; V184-L222 HydrophobicContact CG1-CD1 3.75Å; G187-L222 WeakPolarHBondContact CA-O 3.48Å; G187-L222 PolarHBondContact N-O 3.3Å; D188-L222 PolarHBondContact O-N 2.89Å; M190-L222 HydrophobicContact CE-CD1 3.87Å; M190-L222 HydrophobicContact CE-CD2 4.32Å; M190-L222 HydrophobicContact CE-CG 3.96Å; L220-L222 HydrophobicContact CD1-CD2 4.08Å; L222-A224 PolarHBondContact O-N 3.12Å; L222-E232 VanDerWaalsContact CA-OE2 3.31Å; L222-E232 WeakPolarHBondContact CA-OE2 3.36Å; L222-M235 HydrophobicContact CD2-CB 4.39Å; L222-M235 HydrophobicContact CD2-CE 3.94Å; L222-L236 HydrophobicContact CD1-CD1 4.44Å
223	G	91.6	Very high	91.1	Very high	55 Å²	55	80.9 Å²	80.9	57%	0.567	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	12	-174.8	0	0	0	0	0	114.3	E232	G223-E232 PolarHBondContact N-OE2 2.89Å
224	A	92	Very high	91.8	Very high	40 Å²	40	73.5 Å²	73.5	33%	0.331	38%	0.375	S	S	.	.	S	Bend	trans	-93.5	-9.8	-177.5	0	0	0	0	0	114	K221 L222 K226 E232	K221-A224 HydrophobicContact CB-CB 4.04Å; K221-A224 HydrophobicContact CD-CB 4.48Å; K221-A224 WeakPolarHBondContact O-CB 3.19Å; K221-A224 PolarHBondContact O-N 3.1Å; L222-A224 PolarHBondContact O-N 3.12Å; A224-K226 HydrophobicContact CB-CD 4.5Å; A224-K226 HydrophobicContact CB-CG 4.11Å; A224-K226 PolarHBondContact O-N 2.82Å; A224-E232 PolarHBondContact N-OE1 3.42Å
225	G	90.6	Very high	92.5	Very high	65 Å²	65	68.3 Å²	68.3	67%	0.67	35%	0.352	S	S	*	.	S	Bend	trans	67.7	19.2	-179.8	0	0	0	0	0	113.8	E232	G225-E232 WeakPolarHBondContact CA-OE1 3.45Å; G225-E232 PolarHBondContact N-OE1 3.42Å
226	K	90	Very high	93.4	Very high	181 Å²	181	63.6 Å²	63.6	79%	0.787	33%	0.327	S	S	*	.			trans	-94.2	-3.3	-175.2	-64.1	-165.6	177	-169.6	0	114	A224	A224-K226 HydrophobicContact CB-CD 4.5Å; A224-K226 HydrophobicContact CB-CG 4.11Å; A224-K226 PolarHBondContact O-N 2.82Å
227	V	92.9	Very high	94	Very high	35 Å²	35	56.5 Å²	56.5	21%	0.212	31%	0.305	C	S	.	.	S	Bend	trans	-130.7	169.4	175.2	-63.8	0	0	0	0	109	L220 W231 E232	L220-V227 HydrophobicContact CB-CG1 4.33Å; L220-V227 HydrophobicContact CD2-CG1 4.38Å; V227-W231 HydrophobicContact CB-CB 4.09Å; V227-W231 HydrophobicContact CB-CE3 4.46Å; V227-W231 HydrophobicContact CG1-CE3 4.32Å; V227-W231 HydrophobicContact CG2-CB 3.64Å; V227-E232 HydrophobicContact CG2-CG 3.92Å
228	I	95.6	Very high	94.2	Very high	25 Å²	25	55 Å²	55	13%	0.128	30%	0.297	C	S	.	.			trans	-59.3	147	176	59.4	173.7	0	0	0	110.9	G230 W231 E232 I248 A253 Y254 L269 F271	I228-G230 PolarHBondContact O-N 2.77Å; I228-G230 VanDerWaalsContact O-N 3.14Å; I228-W231 HydrophobicContact CG1-CB 4.15Å; I228-W231 HydrophobicContact CG1-CG 3.99Å; I228-W231 WeakPolarHBondContact O-CB 3.27Å; I228-W231 PolarHBondContact O-N 2.9Å; I228-E232 PolarHBondContact O-N 3.36Å; I228-I248 HydrophobicContact CD1-CD1 3.91Å; I228-A253 HydrophobicContact CD1-CB 4.09Å; I228-Y254 HydrophobicContact CG2-CD1 4.22Å; I228-Y254 HydrophobicContact CG2-CE1 3.8Å; I228-L269 HydrophobicContact CD1-CD1 4.27Å; I228-F271 HydrophobicContact CD1-CE2 3.94Å; I228-F271 HydrophobicContact CD1-CZ 4.31Å
229	K	95.8	Very high	94.3	Very high	142 Å²	142	55.6 Å²	55.6	62%	0.617	30%	0.297	S	S	*	.	H	α-helix	trans	-54.4	-39	-174.3	-71.1	-172.1	176	-173.8	0	113	W231 E232 E233 L252	K229-W231 PolarHBondContact O-N 3.45Å; K229-E232 WeakPolarHBondContact O-CB 3.28Å; K229-E232 PolarHBondContact O-N 3.07Å; K229-E232 VanDerWaalsContact O-N 3.08Å; K229-E233 PolarHBondContact O-N 2.88Å; K229-L252 HydrophobicContact CB-CB 4.3Å; K229-L252 HydrophobicContact CB-CD2 3.99Å; K229-L252 HydrophobicContact CD-CD2 4.14Å; K229-L252 PolarHBondContact N-O 3.19Å
230	G	96.2	Very high	94.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-67.3	-16	179.4	0	0	0	0	0	115.2	V171 I228 G234 L252	V171-G230 VanDerWaalsContact CG2-CA 3.44Å; I228-G230 PolarHBondContact O-N 2.77Å; I228-G230 VanDerWaalsContact O-N 3.14Å; G230-G234 WeakPolarHBondContact O-CA 3.34Å; G230-G234 PolarHBondContact O-N 2.87Å; G230-L252 PolarHBondContact N-O 3.48Å
231	W	96.3	Very high	94.4	Very high	9 Å²	9	54.2 Å²	54.2	3%	0.034	31%	0.305	C	S	.	.	H	α-helix	trans	-78.2	-45.4	168.4	-91.6	50.8	0	0	0	111.4	V192 Y194 L218 L220 V227 I228 K229 E233 G234 M235 F271 V273	V192-W231 HydrophobicContact CG2-CH2 4.16Å; V192-W231 HydrophobicContact CG2-CZ3 3.85Å; Y194-W231 AromaticContact CD1-CH2 3.65Å; Y194-W231 HydrophobicContact CD1-CH2 3.65Å; Y194-W231 HydrophobicContact CD1-CZ2 4.32Å; Y194-W231 AromaticContact CD2-CH2 3.93Å; Y194-W231 HydrophobicContact CD2-CH2 3.93Å; Y194-W231 AromaticContact CD2-CZ2 3.74Å; Y194-W231 HydrophobicContact CD2-CZ2 3.74Å; Y194-W231 HydrophobicContact CE1-CH2 4.15Å; Y194-W231 HydrophobicContact CE2-CH2 4.39Å; Y194-W231 HydrophobicContact CE2-CZ2 4.26Å; Y194-W231 AromaticContact CG-CH2 3.52Å; Y194-W231 HydrophobicContact CG-CH2 3.52Å; Y194-W231 AromaticContact CG-CZ2 3.77Å; Y194-W231 HydrophobicContact CG-CZ2 3.77Å; L218-W231 HydrophobicContact CD2-CH2 3.75Å; L218-W231 HydrophobicContact CD2-CZ3 3.59Å; L220-W231 HydrophobicContact CD2-CE3 3.93Å; L220-W231 HydrophobicContact CD2-CZ3 3.77Å; V227-W231 HydrophobicContact CB-CB 4.09Å; V227-W231 HydrophobicContact CB-CE3 4.46Å; V227-W231 HydrophobicContact CG1-CE3 4.32Å; V227-W231 HydrophobicContact CG2-CB 3.64Å; I228-W231 HydrophobicContact CG1-CB 4.15Å; I228-W231 HydrophobicContact CG1-CG 3.99Å; I228-W231 WeakPolarHBondContact O-CB 3.27Å; I228-W231 PolarHBondContact O-N 2.9Å; K229-W231 PolarHBondContact O-N 3.45Å; W231-E233 VanDerWaalsContact C-N 3.3Å; W231-E233 PolarHBondContact O-N 2.94Å; W231-G234 PolarHBondContact O-N 2.85Å; W231-M235 HydrophobicContact CB-CE 4.05Å; W231-M235 HydrophobicContact CD2-CE 4.27Å; W231-M235 HydrophobicContact CD2-SD 4.45Å; W231-M235 HydrophobicContact CE3-CE 3.59Å; W231-M235 HydrophobicContact CE3-SD 3.84Å; W231-M235 HydrophobicContact CZ3-CE 4.36Å; W231-M235 HydrophobicContact CZ3-SD 4.2Å; W231-M235 WeakPolarHBondContact O-CB 3.35Å; W231-M235 WeakPolarHBondContact O-CE 3.35Å; W231-M235 WeakPolarHBondContact O-CG 3.07Å; W231-M235 PolarHBondContact O-N 2.99Å; W231-M235 VanDerWaalsContact O-N 3.09Å; W231-F271 AromaticContact CE2-CD1 3.9Å; W231-F271 AromaticContact CE2-CE1 3.95Å; W231-F271 AromaticContact CZ2-CD1 3.64Å; W231-F271 HydrophobicContact CZ2-CD1 3.64Å; W231-F271 AromaticContact CZ2-CE1 3.76Å; W231-F271 HydrophobicContact CZ2-CE1 3.76Å; W231-F271 HydrophobicContact CZ2-CG 4.24Å; W231-F271 HydrophobicContact CZ2-CZ 4.45Å; W231-F271 AromaticContact NE1-CD1 3.55Å; W231-F271 AromaticContact NE1-CD2 3.35Å; W231-F271 VanDerWaalsContact NE1-CD2 3.35Å; W231-F271 AromaticContact NE1-CE1 3.54Å; W231-F271 AromaticContact NE1-CE2 3.34Å; W231-F271 VanDerWaalsContact NE1-CE2 3.34Å; W231-F271 AromaticContact NE1-CG 3.43Å; W231-F271 AromaticContact NE1-CZ 3.41Å; W231-V273 HydrophobicContact CZ2-CG2 4.37Å
232	E	94.5	Very high	94.5	Very high	33 Å²	33	49.2 Å²	49.2	15%	0.154	28%	0.284	C	S	.	.	H	α-helix	trans	-56.2	-46.1	175.3	-60.3	-80.1	-162.8	0	0	110.5	L222 G223 A224 G225 V227 I228 K229	L222-E232 VanDerWaalsContact CA-OE2 3.31Å; L222-E232 WeakPolarHBondContact CA-OE2 3.36Å; G223-E232 PolarHBondContact N-OE2 2.89Å; A224-E232 PolarHBondContact N-OE1 3.42Å; G225-E232 WeakPolarHBondContact CA-OE1 3.45Å; G225-E232 PolarHBondContact N-OE1 3.42Å; V227-E232 HydrophobicContact CG2-CG 3.92Å; I228-E232 PolarHBondContact O-N 3.36Å; K229-E232 WeakPolarHBondContact O-CB 3.28Å; K229-E232 PolarHBondContact O-N 3.07Å; K229-E232 VanDerWaalsContact O-N 3.08Å
233	E	95.9	Very high	94.6	Very high	89 Å²	89	52 Å²	52	42%	0.416	29%	0.294	S	S	.	.	H	α-helix	trans	-71.6	-47.2	177.4	-68.5	168.6	-138.5	0	0	112.8	V171 K229 W231 M235 L236 L252	V171-E233 HydrophobicContact CG2-CB 3.99Å; K229-E233 PolarHBondContact O-N 2.88Å; W231-E233 VanDerWaalsContact C-N 3.3Å; W231-E233 PolarHBondContact O-N 2.94Å; E233-M235 PolarHBondContact O-N 2.69Å; E233-L236 WeakPolarHBondContact O-CB 3.45Å; E233-L236 PolarHBondContact O-N 3.03Å; E233-L252 WeakPolarHBondContact OE2-CD1 3.41Å
234	G	95.5	Very high	94.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-71.5	-30.4	-170.9	0	0	0	0	0	115	G230 W231 R244	G230-G234 WeakPolarHBondContact O-CA 3.34Å; G230-G234 PolarHBondContact O-N 2.87Å; W231-G234 PolarHBondContact O-N 2.85Å; G234-R244 WeakPolarHBondContact O-CD 3.46Å; G234-R244 PolarHBondContact O-NH1 2.95Å
235	M	95.9	Very high	95.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.3	179.3	-63.6	-173.8	-60.5	0	0	113.6	M190 V192 L220 L222 W231 E233 G237 M238 I246 V273	M190-M235 HydrophobicContact CE-CB 4.25Å; M190-M235 HydrophobicContact SD-CE 3.91Å; M190-M235 HydrophobicContact SD-SD 3.75Å; V192-M235 HydrophobicContact CG1-SD 4.28Å; L220-M235 HydrophobicContact CD1-CE 3.6Å; L220-M235 HydrophobicContact CD2-CE 3.82Å; L220-M235 HydrophobicContact CD2-SD 4.46Å; L220-M235 HydrophobicContact CG-CE 4.36Å; L222-M235 HydrophobicContact CD2-CB 4.39Å; L222-M235 HydrophobicContact CD2-CE 3.94Å; W231-M235 HydrophobicContact CB-CE 4.05Å; W231-M235 HydrophobicContact CD2-CE 4.27Å; W231-M235 HydrophobicContact CD2-SD 4.45Å; W231-M235 HydrophobicContact CE3-CE 3.59Å; W231-M235 HydrophobicContact CE3-SD 3.84Å; W231-M235 HydrophobicContact CZ3-CE 4.36Å; W231-M235 HydrophobicContact CZ3-SD 4.2Å; W231-M235 WeakPolarHBondContact O-CB 3.35Å; W231-M235 WeakPolarHBondContact O-CE 3.35Å; W231-M235 WeakPolarHBondContact O-CG 3.07Å; W231-M235 PolarHBondContact O-N 2.99Å; W231-M235 VanDerWaalsContact O-N 3.09Å; E233-M235 PolarHBondContact O-N 2.69Å; M235-G237 PolarHBondContact O-N 2.95Å; M235-M238 HydrophobicContact CB-SD 4.02Å; M235-M238 HydrophobicContact CG-SD 4Å; M235-M238 WeakPolarHBondContact O-CB 3.5Å; M235-M238 WeakPolarHBondContact O-CG 3.45Å; M235-M238 PolarHBondContact O-N 3.28Å; M235-M238 VanDerWaalsContact O-N 3.13Å; M235-I246 HydrophobicContact CG-CD1 3.82Å; M235-V273 HydrophobicContact CG-CG1 4.43Å; M235-V273 HydrophobicContact SD-CG1 3.92Å
236	L	95.4	Very high	95.5	Very high	82 Å²	82	45.3 Å²	45.3	43%	0.429	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	132.7	178.2	-169.4	68	0	0	0	110.6	L222 E233 M238 R244	L222-L236 HydrophobicContact CD1-CD1 4.44Å; E233-L236 WeakPolarHBondContact O-CB 3.45Å; E233-L236 PolarHBondContact O-N 3.03Å; L236-M238 VanDerWaalsContact C-N 3.25Å; L236-M238 PolarHBondContact O-N 3.49Å; L236-R244 PolarHBondContact O-NH1 2.99Å
237	G	94.3	Very high	95.9	Very high	33 Å²	33	36.7 Å²	36.7	34%	0.34	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	8.9	-178.1	0	0	0	0	0	115.8	V184 M235	V184-G237 PolarHBondContact O-N 3.3Å; M235-G237 PolarHBondContact O-N 2.95Å
238	M	95.8	Very high	96.1	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.175	C	C	.	.			trans	-63.7	162.8	163.9	-73.6	-175	71.5	0	0	110.8	A183 V184 M235 L236 R244 V273 L275	A183-M238 CarbonylContact C-O 3.59Å; A183-M238 VanDerWaalsContact CA-O 3.28Å; A183-M238 WeakPolarHBondContact CA-O 3.49Å; V184-M238 WeakPolarHBondContact CG2-O 3.32Å; V184-M238 PolarHBondContact N-O 2.85Å; M235-M238 HydrophobicContact CB-SD 4.02Å; M235-M238 HydrophobicContact CG-SD 4Å; M235-M238 WeakPolarHBondContact O-CB 3.5Å; M235-M238 WeakPolarHBondContact O-CG 3.45Å; M235-M238 PolarHBondContact O-N 3.28Å; M235-M238 VanDerWaalsContact O-N 3.13Å; L236-M238 VanDerWaalsContact C-N 3.25Å; L236-M238 PolarHBondContact O-N 3.49Å; M238-R244 HydrophobicContact CE-CB 3.7Å; M238-R244 HydrophobicContact CG-CB 4.27Å; M238-R244 VanDerWaalsContact CG-CZ 3.42Å; M238-R244 HydrophobicContact SD-CB 3.88Å; M238-V273 WeakPolarHBondContact CE-O 3.35Å; M238-L275 HydrophobicContact CB-CD2 3.75Å; M238-L275 HydrophobicContact CE-CB 3.97Å
239	K	94.9	Very high	96.2	Very high	72 Å²	72	33.8 Å²	33.8	31%	0.313	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	162.1	173.8	-59.6	177.7	176.4	-177	0	111.7	L178 G181 A183 A241 G242 L275	L178-K239 WeakPolarHBondContact O-CB 3.35Å; G181-K239 WeakPolarHBondContact O-CD 3.46Å; A183-K239 HydrophobicContact CB-CG 4.22Å; K239-A241 PolarHBondContact O-N 2.82Å; K239-G242 WeakPolarHBondContact O-CA 3.37Å; K239-G242 PolarHBondContact O-N 3.43Å; K239-L275 WeakPolarHBondContact O-CD2 3.46Å
240	K	95.7	Very high	96.2	Very high	117 Å²	117	28.4 Å²	28.4	51%	0.509	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	137	178.2	-175.2	-166.2	169	-157.9	0	110.5	G179 E180 G242 V278	G179-K240 CarbonylContact C-O 3.58Å; G179-K240 VanDerWaalsContact CA-O 3.23Å; G179-K240 WeakPolarHBondContact CA-O 3.33Å; E180-K240 PolarHBondContact N-O 3.27Å; E180-K240 PolarHBondContact O-N 3.37Å; K240-G242 PolarHBondContact O-N 2.85Å; K240-V278 HydrophobicContact CB-CG2 4.36Å
241	A	94.8	Very high	96.2	Very high	51 Å²	51	32.3 Å²	32.3	42%	0.421	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	10.9	-170.5	0	0	0	0	0	115.3	K239 L275	K239-A241 PolarHBondContact O-N 2.82Å; A241-L275 PolarHBondContact N-O 2.98Å
242	G	95.8	Very high	96.2	Very high	1 Å²	1	33 Å²	33	1%	0.01	18%	0.18	C	C	.	.			trans	-74.6	145.3	170.4	0	0	0	0	0	111.7	I177 K239 K240 E274 L275	I177-G242 CarbonylContact O-C 3.59Å; I177-G242 VanDerWaalsContact O-CA 3.23Å; I177-G242 WeakPolarHBondContact O-CA 3.42Å; K239-G242 WeakPolarHBondContact O-CA 3.37Å; K239-G242 PolarHBondContact O-N 3.43Å; K240-G242 PolarHBondContact O-N 2.85Å; G242-E274 WeakPolarHBondContact O-CA 3.48Å; G242-L275 PolarHBondContact O-N 2.9Å
243	R	97	Very high	96.3	Very high	61 Å²	61	32.4 Å²	32.4	23%	0.23	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.7	171.9	-67.3	-161.4	-75.6	166.2	-10.9	108.9	E147 V176 I177 E272 V273 E274	E147-R243 IonicContact OE1-CZ 3.13Å; E147-R243 IonicContact OE1-NH2 3.57Å; E147-R243 PolarHBondContact OE1-NH2 3.44Å; V176-R243 WeakPolarHBondContact CA-O 3.23Å; V176-R243 HydrophobicContact CB-CB 4.17Å; V176-R243 WeakPolarHBondContact CB-O 3.28Å; V176-R243 PolarHBondContact N-O 3Å; I177-R243 HydrophobicContact CB-CB 4.15Å; I177-R243 HydrophobicContact CB-CG 4.49Å; I177-R243 HydrophobicContact CD1-CG 4.16Å; I177-R243 HydrophobicContact CG1-CB 4.16Å; I177-R243 HydrophobicContact CG1-CG 4.31Å; I177-R243 PolarHBondContact N-O 3.3Å; I177-R243 PolarHBondContact O-N 2.92Å; I177-R243 VanDerWaalsContact O-O 3.1Å; R243-E272 IonicContact NH1-OE1 2.77Å; R243-V273 CarbonylContact C-O 3.56Å; R243-V273 WeakPolarHBondContact CA-O 3.2Å; R243-E274 HydrophobicContact CG-CB 3.95Å; R243-E274 HydrophobicContact CG-CG 3.84Å
244	R	97.7	Very high	96.3	Very high	18 Å²	18	32.3 Å²	32.3	7%	0.068	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	137.5	-179	-179.5	174.9	-74.6	-179.8	0.7	110.6	Q174 D175 G234 L236 M238 I246 V273	Q174-R244 WeakPolarHBondContact O-CG 3.38Å; D175-R244 IonicContact OD1-CZ 2.91Å; D175-R244 VanDerWaalsContact OD1-CZ 3.25Å; D175-R244 IonicContact OD1-NE 3.21Å; D175-R244 PolarHBondContact OD1-NE 3.31Å; D175-R244 IonicContact OD1-NH2 2.8Å; D175-R244 PolarHBondContact OD1-NH2 3.39Å; D175-R244 IonicContact OD2-NH2 3.13Å; D175-R244 PolarHBondContact OD2-NH2 3.23Å; G234-R244 WeakPolarHBondContact O-CD 3.46Å; G234-R244 PolarHBondContact O-NH1 2.95Å; L236-R244 PolarHBondContact O-NH1 2.99Å; M238-R244 HydrophobicContact CE-CB 3.7Å; M238-R244 HydrophobicContact CG-CB 4.27Å; M238-R244 VanDerWaalsContact CG-CZ 3.42Å; M238-R244 HydrophobicContact SD-CB 3.88Å; R244-I246 HydrophobicContact CB-CG1 4.46Å; R244-I246 HydrophobicContact CG-CD1 4.46Å; R244-I246 HydrophobicContact CG-CG1 3.8Å; R244-V273 PolarHBondContact N-O 3.46Å; R244-V273 PolarHBondContact O-N 3.42Å
245	L	98	Very high	96.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133	164.1	-155.6	76.6	0	0	0	109	K155 C158 T173 Q174 V176 I247 I270 F271 E272	K155-L245 HydrophobicContact CB-CD2 4.32Å; K155-L245 HydrophobicContact CG-CD2 4.29Å; C158-L245 HydrophobicContact CB-CB 4.49Å; C158-L245 HydrophobicContact CB-CD2 3.8Å; T173-L245 WeakPolarHBondContact CA-O 3.44Å; Q174-L245 PolarHBondContact N-O 3.47Å; Q174-L245 PolarHBondContact O-N 2.94Å; V176-L245 HydrophobicContact CG2-CB 4.25Å; L245-I247 HydrophobicContact CD2-CD1 4.49Å; L245-I270 HydrophobicContact CD1-CG2 3.83Å; L245-I270 HydrophobicContact CD2-CG2 4.08Å; L245-I270 HydrophobicContact CG-CG2 3.99Å; L245-F271 CarbonylContact C-O 3.59Å; L245-F271 WeakPolarHBondContact CA-O 3.48Å; L245-E272 HydrophobicContact CD1-CB 3.89Å
246	I	98.1	Very high	96.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	111.4	-174.4	-51.6	177.4	0	0	0	107.5	V171 T173 M235 R244 I248 F271 V273	V171-I246 HydrophobicContact CG1-CG2 3.36Å; T173-I246 HydrophobicContact CG2-CG2 4.47Å; M235-I246 HydrophobicContact CG-CD1 3.82Å; R244-I246 HydrophobicContact CB-CG1 4.46Å; R244-I246 HydrophobicContact CG-CD1 4.46Å; R244-I246 HydrophobicContact CG-CG1 3.8Å; I246-I248 HydrophobicContact CG2-CD1 4.01Å; I246-I248 HydrophobicContact CG2-CG1 3.72Å; I246-F271 HydrophobicContact CB-CB 4.49Å; I246-F271 PolarHBondContact N-O 3.36Å; I246-F271 PolarHBondContact O-N 3.26Å; I246-V273 HydrophobicContact CD1-CB 4.28Å; I246-V273 HydrophobicContact CD1-CG2 3.84Å
247	I	98	Very high	96	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.9	176.8	-55.6	175.7	0	0	0	108.2	C158 L159 A162 L168 V172 L245 T268 L269 I270	C158-I247 HydrophobicContact CB-CD1 4.45Å; L159-I247 HydrophobicContact CD2-CD1 4.12Å; A162-I247 HydrophobicContact CB-CB 4.35Å; A162-I247 HydrophobicContact CB-CD1 3.6Å; A162-I247 HydrophobicContact CB-CG2 3.96Å; L168-I247 HydrophobicContact CD1-CG2 4.19Å; V172-I247 HydrophobicContact CB-CB 4.28Å; V172-I247 PolarHBondContact N-O 3.12Å; V172-I247 PolarHBondContact O-N 2.87Å; L245-I247 HydrophobicContact CD2-CD1 4.49Å; I247-T268 HydrophobicContact CG2-CG2 3.72Å; I247-L269 CarbonylContact C-O 3.59Å; I247-L269 WeakPolarHBondContact CA-O 3.44Å; I247-I270 HydrophobicContact CG1-CG1 4.25Å; I247-I270 HydrophobicContact CG1-CG2 4.21Å; I247-I270 HydrophobicContact CG2-CG1 4.49Å
248	I	97.9	Very high	96	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.9	-166.5	-56.4	176.2	0	0	0	109.7	V171 I228 I246 L252 A253 T268 L269 F271	V171-I248 HydrophobicContact CG1-CG1 4.25Å; I228-I248 HydrophobicContact CD1-CD1 3.91Å; I246-I248 HydrophobicContact CG2-CD1 4.01Å; I246-I248 HydrophobicContact CG2-CG1 3.72Å; I248-L252 HydrophobicContact CG2-CB 3.87Å; I248-A253 HydrophobicContact CG2-CB 3.95Å; I248-T268 WeakPolarHBondContact O-CA 3.37Å; I248-T268 WeakPolarHBondContact O-CG2 2.79Å; I248-L269 PolarHBondContact N-O 3.01Å; I248-L269 PolarHBondContact O-N 2.92Å; I248-F271 HydrophobicContact CD1-CD2 3.68Å; I248-F271 HydrophobicContact CD1-CE2 3.92Å; I248-F271 HydrophobicContact CG1-CD2 4.47Å
249	P	96.9	Very high	95.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.238	C	C	.	.			trans	-68.4	156.7	175.4	28.9	-35.1	0	0	0	112.3	L168 S251 L252 A253	L168-P249 HydrophobicContact CB-CB 3.83Å; L168-P249 HydrophobicContact CB-CG 4.4Å; L168-P249 WeakPolarHBondContact O-CB 3.5Å; P249-S251 PolarHBondContact O-N 2.84Å; P249-S251 VanDerWaalsContact O-N 3.13Å; P249-L252 HydrophobicContact CG-CB 4.16Å; P249-L252 HydrophobicContact CG-CD1 3.84Å; P249-L252 HydrophobicContact CG-CG 4Å; P249-L252 PolarHBondContact O-N 3.44Å; P249-A253 PolarHBondContact O-N 2.94Å
250	P	96.5	Very high	95.7	Very high	29 Å²	29	45 Å²	45	19%	0.188	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-56.6	-33.6	-179.1	21.3	-33.5	0	0	0	113.5	L252 A253 G255 N266	P250-L252 PolarHBondContact O-N 2.95Å; P250-A253 PolarHBondContact O-N 3.39Å; P250-A253 VanDerWaalsContact O-N 3.14Å; P250-G255 WeakPolarHBondContact O-CA 3.35Å; P250-G255 PolarHBondContact O-N 2.73Å; P250-N266 HydrophobicContact CB-CB 4.44Å
251	S	95.9	Very high	95.3	Very high	82 Å²	82	48.2 Å²	48.2	57%	0.573	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-58.3	-26.9	175.2	49.4	0	0	0	0	114.4	P249	P249-S251 PolarHBondContact O-N 2.84Å; P249-S251 VanDerWaalsContact O-N 3.13Å
252	L	96.4	Very high	95.3	Very high	24 Å²	24	51 Å²	51	13%	0.126	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-110.7	6	-179.9	-58.2	177.1	0	0	0	112.5	V171 K229 G230 E233 I248 P249 P250	V171-L252 HydrophobicContact CG2-CD1 3.84Å; K229-L252 HydrophobicContact CB-CB 4.3Å; K229-L252 HydrophobicContact CB-CD2 3.99Å; K229-L252 HydrophobicContact CD-CD2 4.14Å; K229-L252 PolarHBondContact N-O 3.19Å; G230-L252 PolarHBondContact N-O 3.48Å; E233-L252 WeakPolarHBondContact OE2-CD1 3.41Å; I248-L252 HydrophobicContact CG2-CB 3.87Å; P249-L252 HydrophobicContact CG-CB 4.16Å; P249-L252 HydrophobicContact CG-CD1 3.84Å; P249-L252 HydrophobicContact CG-CG 4Å; P249-L252 PolarHBondContact O-N 3.44Å; P250-L252 PolarHBondContact O-N 2.95Å
253	A	95.9	Very high	95.3	Very high	20 Å²	20	51.3 Å²	51.3	17%	0.165	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-117.5	177.2	0	0	0	0	0	111.3	I228 I248 P249 P250 L269	I228-A253 HydrophobicContact CD1-CB 4.09Å; I248-A253 HydrophobicContact CG2-CB 3.95Å; P249-A253 PolarHBondContact O-N 2.94Å; P250-A253 PolarHBondContact O-N 3.39Å; P250-A253 VanDerWaalsContact O-N 3.14Å; A253-L269 HydrophobicContact CB-CD1 3.63Å; A253-L269 HydrophobicContact CB-CG 4.05Å
254	Y	95.6	Very high	95.2	Very high	86 Å²	86	51.9 Å²	51.9	34%	0.337	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	2.1	-177.1	-55.3	-73.5	0	0	0	114	I228 K257 G258 V259 V263 L269	I228-Y254 HydrophobicContact CG2-CD1 4.22Å; I228-Y254 HydrophobicContact CG2-CE1 3.8Å; Y254-K257 PolarHBondContact O-N 3.38Å; Y254-G258 PolarHBondContact O-N 3.08Å; Y254-G258 VanDerWaalsContact O-N 3.11Å; Y254-V259 HydrophobicContact CD1-CG2 3.59Å; Y254-V259 HydrophobicContact CD2-CG2 3.84Å; Y254-V259 HydrophobicContact CE1-CG2 3.77Å; Y254-V259 HydrophobicContact CE2-CG2 4Å; Y254-V259 HydrophobicContact CG-CG2 3.63Å; Y254-V263 HydrophobicContact CD2-CB 4.32Å; Y254-V263 HydrophobicContact CD2-CG1 4.03Å; Y254-V263 HydrophobicContact CD2-CG2 4.25Å; Y254-V263 HydrophobicContact CE2-CG2 4.16Å; Y254-L269 HydrophobicContact CD2-CD1 3.82Å; Y254-L269 HydrophobicContact CE2-CD1 3.7Å
255	G	93.8	Very high	95	Very high	22 Å²	22	53.9 Å²	53.9	23%	0.227	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	54.7	-150.9	175.8	0	0	0	0	0	115	P250 K257 G258 N266	P250-G255 WeakPolarHBondContact O-CA 3.35Å; P250-G255 PolarHBondContact O-N 2.73Å; G255-K257 PolarHBondContact O-N 3.47Å; G255-G258 PolarHBondContact O-N 2.74Å; G255-N266 PolarHBondContact O-N 2.78Å
256	A	94.5	Very high	94.9	Very high	72 Å²	72	58.7 Å²	58.7	60%	0.595	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-69.1	-9.9	178.5	0	0	0	0	0	114.3	A265 N266	A256-A265 VanDerWaalsContact O-CB 3.27Å; A256-A265 WeakPolarHBondContact O-CB 3.49Å; A256-N266 WeakPolarHBondContact CA-OD1 3.32Å; A256-N266 PolarHBondContact N-OD1 3.02Å
257	K	92.9	Very high	94.8	Very high	198 Å²	198	59.8 Å²	59.8	86%	0.861	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-83.8	-33.1	174.8	-66.6	-173.1	178	-176.2	0	112.4	Y254 G255	Y254-K257 PolarHBondContact O-N 3.38Å; G255-K257 PolarHBondContact O-N 3.47Å
258	G	93.6	Very high	94.7	Very high	12 Å²	12	61.2 Å²	61.2	12%	0.124	36%	0.355	C	S	.	.			trans	60.1	-154.2	-174	0	0	0	0	0	112.6	Y254 G255 V263	Y254-G258 PolarHBondContact O-N 3.08Å; Y254-G258 VanDerWaalsContact O-N 3.11Å; G255-G258 PolarHBondContact O-N 2.74Å; G258-V263 CarbonylContact C-O 3.58Å; G258-V263 WeakPolarHBondContact CA-O 3.28Å
259	V	94.2	Very high	94.7	Very high	42 Å²	42	61.2 Å²	61.2	26%	0.255	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-134	117.1	169.4	-176.4	0	0	0	0	107.7	Y254 N261 R262 V263	Y254-V259 HydrophobicContact CD1-CG2 3.59Å; Y254-V259 HydrophobicContact CD2-CG2 3.84Å; Y254-V259 HydrophobicContact CE1-CG2 3.77Å; Y254-V259 HydrophobicContact CE2-CG2 4Å; Y254-V259 HydrophobicContact CG-CG2 3.63Å; V259-N261 PolarHBondContact O-N 3.24Å; V259-R262 HydrophobicContact CB-CB 4.22Å; V259-R262 HydrophobicContact CG1-CB 3.94Å; V259-R262 PolarHBondContact O-N 2.96Å; V259-R262 VanDerWaalsContact O-N 3.08Å; V259-V263 HydrophobicContact CB-CB 4.01Å; V259-V263 HydrophobicContact CB-CG2 4.3Å; V259-V263 HydrophobicContact CG2-CB 4.2Å; V259-V263 HydrophobicContact CG2-CG2 4.33Å; V259-V263 PolarHBondContact N-O 3.22Å; V259-V263 PolarHBondContact O-N 2.86Å; V259-V263 VanDerWaalsContact O-O 3.08Å
260	P	90.6	Very high	94.7	Very high	111 Å²	111	61.2 Å²	61.2	72%	0.721	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	136.3	-179.1	-30	36.1	0	0	0	112.9	R262	P260-R262 PolarHBondContact O-N 3.49Å
261	N	88.3	Confident	94.8	Very high	184 Å²	184	60 Å²	60	98%	0.984	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	13.7	-179.2	-54.9	-19.9	0	0	0	115.9	V259	V259-N261 PolarHBondContact O-N 3.24Å
262	R	93.2	Very high	94.9	Very high	110 Å²	110	57.7 Å²	57.7	42%	0.415	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.1	-43.7	-175.2	-162.9	174.1	-152.3	-147.8	2.6	115	F208 D209 V259 P260	F208-R262 HydrophobicContact CB-CG 4.16Å; F208-R262 VanDerWaalsContact CB-O 3.31Å; F208-R262 WeakPolarHBondContact CB-O 3.39Å; F208-R262 HydrophobicContact CD2-CG 4.39Å; F208-R262 PolarHBondContact O-NE 3.12Å; F208-R262 PolarHBondContact O-NH2 3.4Å; D209-R262 VanDerWaalsContact CB-NH2 3.31Å; D209-R262 VanDerWaalsContact CG-CZ 3.4Å; D209-R262 IonicContact OD1-CZ 3.02Å; D209-R262 IonicContact OD1-NH1 3.25Å; D209-R262 IonicContact OD1-NH2 3.05Å; D209-R262 PolarHBondContact OD1-NH2 3.37Å; D209-R262 IonicContact OD2-CZ 3.85Å; D209-R262 IonicContact OD2-NH1 2.61Å; D209-R262 PolarHBondContact OD2-NH1 2.96Å; D209-R262 IonicContact OD2-NH2 2.82Å; D209-R262 PolarHBondContact OD2-NH2 2.87Å; V259-R262 HydrophobicContact CB-CB 4.22Å; V259-R262 HydrophobicContact CG1-CB 3.94Å; V259-R262 PolarHBondContact O-N 2.96Å; V259-R262 VanDerWaalsContact O-N 3.08Å; P260-R262 PolarHBondContact O-N 3.49Å
263	V	95.7	Very high	95	Very high	6 Å²	6	56.6 Å²	56.6	4%	0.036	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-138.7	112.3	-179.7	-179.7	0	0	0	0	108.8	L198 F208 Y254 G258 V259 L269	L198-V263 HydrophobicContact CD2-CG1 4.09Å; F208-V263 HydrophobicContact CB-CG2 4.48Å; F208-V263 HydrophobicContact CD1-CG2 4.39Å; F208-V263 HydrophobicContact CD2-CG2 3.66Å; F208-V263 HydrophobicContact CE2-CG2 3.94Å; F208-V263 HydrophobicContact CG-CG2 3.92Å; F208-V263 HydrophobicContact CZ-CG2 4.42Å; Y254-V263 HydrophobicContact CD2-CB 4.32Å; Y254-V263 HydrophobicContact CD2-CG1 4.03Å; Y254-V263 HydrophobicContact CD2-CG2 4.25Å; Y254-V263 HydrophobicContact CE2-CG2 4.16Å; G258-V263 CarbonylContact C-O 3.58Å; G258-V263 WeakPolarHBondContact CA-O 3.28Å; V259-V263 HydrophobicContact CB-CB 4.01Å; V259-V263 HydrophobicContact CB-CG2 4.3Å; V259-V263 HydrophobicContact CG2-CB 4.2Å; V259-V263 HydrophobicContact CG2-CG2 4.33Å; V259-V263 PolarHBondContact N-O 3.22Å; V259-V263 PolarHBondContact O-N 2.86Å; V259-V263 VanDerWaalsContact O-O 3.08Å; V263-L269 HydrophobicContact CG1-CD2 3.7Å
264	P	95.3	Very high	95	Very high	74 Å²	74	57.4 Å²	57.4	48%	0.481	32%	0.322	S	S	.	.			trans	-58.3	153	176.4	-24.1	33.5	0	0	0	113	L198 S267	L198-P264 HydrophobicContact CD1-CG 4.21Å; P264-S267 WeakPolarHBondContact CB-OG 3.24Å; P264-S267 WeakPolarHBondContact CD-OG 3.31Å; P264-S267 WeakPolarHBondContact O-CB 3.38Å; P264-S267 PolarHBondContact O-N 3.37Å; P264-S267 PolarHBondContact O-OG 2.96Å
265	A	94.9	Very high	95	Very high	60 Å²	60	53.3 Å²	53.3	50%	0.496	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	140.8	173.4	0	0	0	0	0	111.6	A256 S267	A256-A265 VanDerWaalsContact O-CB 3.27Å; A256-A265 WeakPolarHBondContact O-CB 3.49Å; A265-S267 PolarHBondContact O-N 2.94Å
266	N	94.6	Very high	95.1	Very high	101 Å²	101	58.1 Å²	58.1	54%	0.54	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	20.8	-179.3	-62	-37.2	0	0	0	116	P250 G255 A256	P250-N266 HydrophobicContact CB-CB 4.44Å; G255-N266 PolarHBondContact O-N 2.78Å; A256-N266 WeakPolarHBondContact CA-OD1 3.32Å; A256-N266 PolarHBondContact N-OD1 3.02Å
267	S	95.6	Very high	95	Very high	22 Å²	22	61.4 Å²	61.4	15%	0.154	31%	0.314	C	S	.	.			trans	-68.2	130.4	175	-60.6	0	0	0	0	113.2	P264 A265	P264-S267 WeakPolarHBondContact CB-OG 3.24Å; P264-S267 WeakPolarHBondContact CD-OG 3.31Å; P264-S267 WeakPolarHBondContact O-CB 3.38Å; P264-S267 PolarHBondContact O-N 3.37Å; P264-S267 PolarHBondContact O-OG 2.96Å; A265-S267 PolarHBondContact O-N 2.94Å
268	T	96.7	Very high	95.1	Very high	30 Å²	30	53.6 Å²	53.6	18%	0.184	28%	0.283	C	S	.	.			trans	-75.5	132.7	159.3	-61.6	0	0	0	0	109.2	L168 L199 I247 I248	L168-T268 HydrophobicContact CD1-CG2 4.22Å; L199-T268 HydrophobicContact CB-CG2 4.05Å; L199-T268 HydrophobicContact CD2-CG2 3.67Å; L199-T268 PolarHBondContact N-O 2.73Å; I247-T268 HydrophobicContact CG2-CG2 3.72Å; I248-T268 WeakPolarHBondContact O-CA 3.37Å; I248-T268 WeakPolarHBondContact O-CG2 2.79Å
269	L	97.6	Very high	95.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	149.9	-175.7	-48.9	-176.5	0	0	0	111.2	L198 F208 I228 I247 I248 A253 Y254 V263 F271	L198-L269 HydrophobicContact CD2-CD2 3.71Å; F208-L269 HydrophobicContact CE1-CB 4.4Å; F208-L269 HydrophobicContact CE1-CD2 3.87Å; F208-L269 HydrophobicContact CE1-CG 4.49Å; F208-L269 HydrophobicContact CZ-CB 4.42Å; F208-L269 HydrophobicContact CZ-CD1 3.97Å; F208-L269 HydrophobicContact CZ-CD2 4.12Å; F208-L269 HydrophobicContact CZ-CG 4.4Å; I228-L269 HydrophobicContact CD1-CD1 4.27Å; I247-L269 CarbonylContact C-O 3.59Å; I247-L269 WeakPolarHBondContact CA-O 3.44Å; I248-L269 PolarHBondContact N-O 3.01Å; I248-L269 PolarHBondContact O-N 2.92Å; A253-L269 HydrophobicContact CB-CD1 3.63Å; A253-L269 HydrophobicContact CB-CG 4.05Å; Y254-L269 HydrophobicContact CD2-CD1 3.82Å; Y254-L269 HydrophobicContact CE2-CD1 3.7Å; V263-L269 HydrophobicContact CG1-CD2 3.7Å; L269-F271 HydrophobicContact CB-CD2 4.23Å; L269-F271 HydrophobicContact CB-CE2 3.78Å; L269-F271 HydrophobicContact CD1-CE2 3.81Å; L269-F271 HydrophobicContact CD1-CZ 4.17Å; L269-F271 HydrophobicContact CG-CE2 4.47Å
270	I	98.1	Very high	95.1	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.4	173.3	-51.4	176.3	0	0	0	106.9	L159 G196 W197 L199 I204 L245 I247	L159-I270 HydrophobicContact CD2-CD1 3.92Å; G196-I270 CarbonylContact C-O 3.51Å; G196-I270 VanDerWaalsContact CA-O 3.3Å; G196-I270 WeakPolarHBondContact CA-O 3.37Å; W197-I270 HydrophobicContact CB-CB 4.49Å; W197-I270 HydrophobicContact CE3-CG2 4.49Å; W197-I270 PolarHBondContact N-O 2.77Å; W197-I270 PolarHBondContact O-N 3.24Å; L199-I270 HydrophobicContact CB-CD1 4Å; L199-I270 HydrophobicContact CB-CG1 4.04Å; L199-I270 HydrophobicContact CD1-CD1 3.84Å; I204-I270 HydrophobicContact CB-CD1 4.31Å; I204-I270 HydrophobicContact CG1-CD1 3.85Å; L245-I270 HydrophobicContact CD1-CG2 3.83Å; L245-I270 HydrophobicContact CD2-CG2 4.08Å; L245-I270 HydrophobicContact CG-CG2 3.99Å; I247-I270 HydrophobicContact CG1-CG1 4.25Å; I247-I270 HydrophobicContact CG1-CG2 4.21Å; I247-I270 HydrophobicContact CG2-CG1 4.49Å
271	F	98.2	Very high	94.9	Very high	5 Å²	5	59.3 Å²	59.3	2%	0.022	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.5	172.3	-70.5	-87.9	0	0	0	110.4	Y194 T195 F208 I228 W231 L245 I246 I248 L269 V273	Y194-F271 AromaticContact CD2-CD1 3.98Å; Y194-F271 HydrophobicContact CD2-CD1 3.98Å; Y194-F271 HydrophobicContact CD2-CE1 4.06Å; Y194-F271 HydrophobicContact CE2-CE1 4.28Å; T195-F271 WeakPolarHBondContact O-CA 3.42Å; F208-F271 HydrophobicContact CE2-CE1 4.3Å; F208-F271 HydrophobicContact CE2-CZ 4.09Å; F208-F271 AromaticContact CZ-CE1 3.92Å; F208-F271 HydrophobicContact CZ-CE1 3.92Å; F208-F271 HydrophobicContact CZ-CE2 4.2Å; F208-F271 AromaticContact CZ-CZ 3.57Å; F208-F271 HydrophobicContact CZ-CZ 3.57Å; I228-F271 HydrophobicContact CD1-CE2 3.94Å; I228-F271 HydrophobicContact CD1-CZ 4.31Å; W231-F271 AromaticContact CE2-CD1 3.9Å; W231-F271 AromaticContact CE2-CE1 3.95Å; W231-F271 AromaticContact CZ2-CD1 3.64Å; W231-F271 HydrophobicContact CZ2-CD1 3.64Å; W231-F271 AromaticContact CZ2-CE1 3.76Å; W231-F271 HydrophobicContact CZ2-CE1 3.76Å; W231-F271 HydrophobicContact CZ2-CG 4.24Å; W231-F271 HydrophobicContact CZ2-CZ 4.45Å; W231-F271 AromaticContact NE1-CD1 3.55Å; W231-F271 AromaticContact NE1-CD2 3.35Å; W231-F271 VanDerWaalsContact NE1-CD2 3.35Å; W231-F271 AromaticContact NE1-CE1 3.54Å; W231-F271 AromaticContact NE1-CE2 3.34Å; W231-F271 VanDerWaalsContact NE1-CE2 3.34Å; W231-F271 AromaticContact NE1-CG 3.43Å; W231-F271 AromaticContact NE1-CZ 3.41Å; L245-F271 CarbonylContact C-O 3.59Å; L245-F271 WeakPolarHBondContact CA-O 3.48Å; I246-F271 HydrophobicContact CB-CB 4.49Å; I246-F271 PolarHBondContact N-O 3.36Å; I246-F271 PolarHBondContact O-N 3.26Å; I248-F271 HydrophobicContact CD1-CD2 3.68Å; I248-F271 HydrophobicContact CD1-CE2 3.92Å; I248-F271 HydrophobicContact CG1-CD2 4.47Å; L269-F271 HydrophobicContact CB-CD2 4.23Å; L269-F271 HydrophobicContact CB-CE2 3.78Å; L269-F271 HydrophobicContact CD1-CE2 3.81Å; L269-F271 HydrophobicContact CD1-CZ 4.17Å; L269-F271 HydrophobicContact CG-CE2 4.47Å; F271-V273 HydrophobicContact CB-CG2 3.97Å
272	E	97.8	Very high	94	Very high	33 Å²	33	60 Å²	60	15%	0.154	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	119.2	159.9	-174.9	168.9	-178.8	0	0	106.9	K155 Y194 T195 W197 R243 L245	K155-E272 WeakPolarHBondContact CE-OE1 3.14Å; K155-E272 WeakPolarHBondContact CE-OE2 3.21Å; K155-E272 IonicContact NZ-OE1 2.72Å; K155-E272 PolarHBondContact NZ-OE1 3.11Å; K155-E272 IonicContact NZ-OE2 3.52Å; K155-E272 PolarHBondContact NZ-OE2 2.93Å; Y194-E272 WeakPolarHBondContact CA-O 3.5Å; T195-E272 PolarHBondContact N-O 3.44Å; T195-E272 PolarHBondContact O-N 3.06Å; W197-E272 HydrophobicContact CH2-CB 3.99Å; W197-E272 HydrophobicContact CZ3-CB 3.69Å; R243-E272 IonicContact NH1-OE1 2.77Å; L245-E272 HydrophobicContact CD1-CB 3.89Å
273	V	97.3	Very high	92.2	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.7	-176.5	-174.9	0	0	0	0	109.6	V192 W231 M235 M238 R243 R244 I246 F271	V192-V273 HydrophobicContact CB-CG1 3.87Å; V192-V273 HydrophobicContact CG1-CG1 3.89Å; V192-V273 HydrophobicContact CG2-CG1 4.31Å; W231-V273 HydrophobicContact CZ2-CG2 4.37Å; M235-V273 HydrophobicContact CG-CG1 4.43Å; M235-V273 HydrophobicContact SD-CG1 3.92Å; M238-V273 WeakPolarHBondContact CE-O 3.35Å; R243-V273 CarbonylContact C-O 3.56Å; R243-V273 WeakPolarHBondContact CA-O 3.2Å; R244-V273 PolarHBondContact N-O 3.46Å; R244-V273 PolarHBondContact O-N 3.42Å; I246-V273 HydrophobicContact CD1-CB 4.28Å; I246-V273 HydrophobicContact CD1-CG2 3.84Å; F271-V273 HydrophobicContact CB-CG2 3.97Å
274	E	96.6	Very high	90.1	Very high	36 Å²	36	67.4 Å²	67.4	17%	0.168	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.3	174.9	-179	-170.9	-168.1	0	0	110.6	V192 V193 G242 R243 R276	V192-E274 VanDerWaalsContact CA-O 3.29Å; V192-E274 WeakPolarHBondContact CA-O 3.42Å; V193-E274 HydrophobicContact CB-CB 4.28Å; V193-E274 PolarHBondContact N-O 2.86Å; V193-E274 PolarHBondContact O-N 3.32Å; G242-E274 WeakPolarHBondContact O-CA 3.48Å; R243-E274 HydrophobicContact CG-CB 3.95Å; R243-E274 HydrophobicContact CG-CG 3.84Å; E274-R276 VanDerWaalsContact CD-CZ 3.41Å; E274-R276 VanDerWaalsContact CD-NH2 3.26Å; E274-R276 PolarHBondContact O-N 3.33Å; E274-R276 IonicContact OE1-CZ 2.68Å; E274-R276 IonicContact OE1-NE 2.7Å; E274-R276 PolarHBondContact OE1-NE 2.95Å; E274-R276 IonicContact OE1-NH1 3.15Å; E274-R276 IonicContact OE1-NH2 3.7Å; E274-R276 PolarHBondContact OE1-NH2 3.42Å; E274-R276 IonicContact OE2-CZ 2.75Å; E274-R276 IonicContact OE2-NE 2.75Å; E274-R276 PolarHBondContact OE2-NE 2.86Å; E274-R276 IonicContact OE2-NH2 3.07Å; E274-R276 PolarHBondContact OE2-NH2 3.44Å
275	L	96.1	Very high	87.8	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	84.2	-173	-178	53.6	0	0	0	112.2	V184 M190 V192 M238 K239 A241 G242 V278	V184-L275 HydrophobicContact CG2-CD2 3.49Å; V184-L275 VanDerWaalsContact CG2-CD2 3.49Å; M190-L275 HydrophobicContact CB-CD1 3.58Å; M190-L275 HydrophobicContact CE-CD1 3.97Å; M190-L275 HydrophobicContact CE-CD2 4.38Å; M190-L275 HydrophobicContact CG-CD1 4.28Å; M190-L275 HydrophobicContact SD-CD1 3.85Å; V192-L275 HydrophobicContact CG1-CD1 3.9Å; M238-L275 HydrophobicContact CB-CD2 3.75Å; M238-L275 HydrophobicContact CE-CB 3.97Å; K239-L275 WeakPolarHBondContact O-CD2 3.46Å; A241-L275 PolarHBondContact N-O 2.98Å; G242-L275 PolarHBondContact O-N 2.9Å; L275-V278 HydrophobicContact CD1-CG2 3.83Å; L275-V278 HydrophobicContact CD2-CG2 3.81Å; L275-V278 HydrophobicContact CG-CG2 3.77Å
276	R	94.5	Very high	85.3	Confident	123 Å²	123	69.5 Å²	69.5	46%	0.464	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-44.2	-173.5	-69.1	-68.3	-176.9	157.1	-12.1	114.1	E191 V193 L217 E274	E191-R276 PolarHBondContact O-N 2.79Å; E191-R276 VanDerWaalsContact O-N 3.09Å; V193-R276 HydrophobicContact CG2-CG 3.85Å; L217-R276 HydrophobicContact CD1-CB 3.67Å; L217-R276 HydrophobicContact CD1-CG 4.02Å; E274-R276 VanDerWaalsContact CD-CZ 3.41Å; E274-R276 VanDerWaalsContact CD-NH2 3.26Å; E274-R276 PolarHBondContact O-N 3.33Å; E274-R276 IonicContact OE1-CZ 2.68Å; E274-R276 IonicContact OE1-NE 2.7Å; E274-R276 PolarHBondContact OE1-NE 2.95Å; E274-R276 IonicContact OE1-NH1 3.15Å; E274-R276 IonicContact OE1-NH2 3.7Å; E274-R276 PolarHBondContact OE1-NH2 3.42Å; E274-R276 IonicContact OE2-CZ 2.75Å; E274-R276 IonicContact OE2-NE 2.75Å; E274-R276 PolarHBondContact OE2-NE 2.86Å; E274-R276 IonicContact OE2-NH2 3.07Å; E274-R276 PolarHBondContact OE2-NH2 3.44Å
277	R	92.7	Very high	82.5	Confident	142 Å²	142	72.1 Å²	72.1	54%	0.536	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	145	-179	-64.6	-174.6	-80.9	-109.7	4.9	111.5	M190 E191	M190-R277 CarbonylContact C-O 3.51Å; M190-R277 WeakPolarHBondContact CA-O 3.42Å; E191-R277 HydrophobicContact CB-CB 4.21Å; E191-R277 PolarHBondContact N-O 2.93Å; E191-R277 PolarHBondContact O-N 3Å; E191-R277 VanDerWaalsContact O-N 3.17Å; E191-R277 IonicContact OE2-CZ 2.69Å; E191-R277 IonicContact OE2-NE 3.79Å; E191-R277 PolarHBondContact OE2-NE 2.69Å; E191-R277 IonicContact OE2-NH2 2.62Å; E191-R277 PolarHBondContact OE2-NH2 2.62Å
278	V	94.9	Very high	79.8	Confident	33 Å²	33	80.5 Å²	80.5	20%	0.2	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.6	176.3	-170.8	0	0	0	0	109	V184 S189 K240 L275 F280	V184-V278 HydrophobicContact CG1-CG1 4.35Å; V184-V278 HydrophobicContact CG2-CG1 3.9Å; V184-V278 HydrophobicContact CG2-CG2 3.86Å; S189-V278 CarbonylContact O-C 3.51Å; K240-V278 HydrophobicContact CB-CG2 4.36Å; L275-V278 HydrophobicContact CD1-CG2 3.83Å; L275-V278 HydrophobicContact CD2-CG2 3.81Å; L275-V278 HydrophobicContact CG-CG2 3.77Å; V278-F280 HydrophobicContact CB-CE2 4.18Å; V278-F280 HydrophobicContact CB-CZ 4.17Å; V278-F280 HydrophobicContact CG1-CD1 4.06Å; V278-F280 HydrophobicContact CG1-CD2 4.13Å; V278-F280 HydrophobicContact CG1-CE1 3.76Å; V278-F280 HydrophobicContact CG1-CE2 3.83Å; V278-F280 HydrophobicContact CG1-CG 4.22Å; V278-F280 HydrophobicContact CG1-CZ 3.63Å
279	K	94.1	Very high	76.9	Confident	161 Å²	161	82.9 Å²	82.9	70%	0.7	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	103.3	164.8	178.4	-173.3	176	-175.9	0	107.2	S189	S189-K279 PolarHBondContact N-O 2.8Å; S189-K279 PolarHBondContact O-N 2.83Å
280	F	93.5	Very high	73.9	Confident	70 Å²	70	88.9 Å²	88.9	31%	0.307	49%	0.489	S	S	.	.			trans	-62.8	141.4	179.6	-60.5	-83.3	0	0	0	111.4	Q182 V184 D188 V278 K282	Q182-F280 HydrophobicContact CB-CE1 3.9Å; Q182-F280 HydrophobicContact CB-CE2 4.3Å; Q182-F280 HydrophobicContact CB-CZ 3.68Å; Q182-F280 HydrophobicContact CG-CD1 4.17Å; Q182-F280 HydrophobicContact CG-CE1 3.64Å; Q182-F280 HydrophobicContact CG-CZ 3.98Å; V184-F280 HydrophobicContact CG2-CE1 4.47Å; D188-F280 WeakPolarHBondContact OD1-CA 3.45Å; D188-F280 WeakPolarHBondContact OD2-CD1 3.36Å; V278-F280 HydrophobicContact CB-CE2 4.18Å; V278-F280 HydrophobicContact CB-CZ 4.17Å; V278-F280 HydrophobicContact CG1-CD1 4.06Å; V278-F280 HydrophobicContact CG1-CD2 4.13Å; V278-F280 HydrophobicContact CG1-CE1 3.76Å; V278-F280 HydrophobicContact CG1-CE2 3.83Å; V278-F280 HydrophobicContact CG1-CG 4.22Å; V278-F280 HydrophobicContact CG1-CZ 3.63Å; F280-K282 PolarHBondContact O-N 3.3Å
281	S	87.9	Confident	71.1	Confident	55 Å²	55	94.2 Å²	94.2	39%	0.385	53%	0.532	S	S	.	.			trans	-72.1	108.6	171.3	32.5	0	0	0	0	109.8	G187 D188 D283	G187-S281 WeakPolarHBondContact O-CB 3.46Å; G187-S281 PolarHBondContact O-OG 2.88Å; D188-S281 PolarHBondContact N-OG 3.11Å; D188-S281 PolarHBondContact OD1-N 3.27Å; D188-S281 PolarHBondContact OD1-OG 3.37Å; D188-S281 VanDerWaalsContact OD1-OG 3.11Å; S281-D283 PolarHBondContact O-N 2.96Å
282	K	67.9	Low	68.1	Low	198 Å²	198	99 Å²	99	86%	0.861	57%	0.567	S	S	*	*	S	Bend	trans	-79.3	64.3	179.4	-167.6	-144.3	172.7	-167	0	111.7	F280	F280-K282 PolarHBondContact O-N 3.3Å
283	D	57	Low	65.1	Low	155 Å²	155	102.7 Å²	102.7	83%	0.829	60%	0.596	S	S	*	*			trans	-150.9	69.4	168.7	-86.1	-45.8	0	0	0	111	S281	S281-D283 PolarHBondContact O-N 2.96Å
284	S	50.8	Low	62.5	Low	117 Å²	117	114.1 Å²	114.1	82%	0.818	64%	0.639	S	S	*	*	S	Bend	trans	-145.1	82.6	165.8	-89.2	0	0	0	0	108.7
285	G	46.2	Very low	59.2	Low	79 Å²	79	120.4 Å²	120.4	81%	0.814	67%	0.669	S	S	*	*	S	Bend	trans	132.7	30.9	164.3	0	0	0	0	0	120.8
286	S	44.2	Very low	56.5	Low	98 Å²	98	125.3 Å²	125.3	69%	0.685	70%	0.703	S	S	*	*			trans	-169	129.8	149.8	57.6	0	0	0	0	113
287	D	35.5	Very low	53.6	Low	157 Å²	157	124.5 Å²	124.5	84%	0.84	72%	0.722	S	S	*	*			trans	133.2	69.4	149.2	-69.1	-8.7	0	0	0	116.5
288	Q	39.3	Very low	50.8	Low	197 Å²	197	122.2 Å²	122.2	92%	0.921	73%	0.734	S	S	*	*			trans	-150.8	137.1	136.5	-76.7	-150.8	38.9	0	0	108.8
289	A	34.8	Very low	48.6	Very low	81 Å²	81	126.7 Å²	126.7	67%	0.669	76%	0.763	S	S	*	*			cis	-155.1	148.8	-12.5	0	0	0	0	0	110.6
290	S	35.3	Very low	45.5	Very low	126 Å²	126	124.1 Å²	124.1	88%	0.881	77%	0.766	S	S	*	*			trans	-166.4	89.3	160.9	-85.1	0	0	0	0	110.9
291	A	38.5	Very low	43.3	Very low	111 Å²	111	126.3 Å²	126.3	92%	0.917	79%	0.787	S	S	*	*			trans	-105	77	-176.3	0	0	0	0	0	112.8
292	S	34.3	Very low	40.7	Very low	107 Å²	107	128 Å²	128	75%	0.748	80%	0.804	S	S	*	*			trans	-162.9	148.3	156.8	95.4	0	0	0	0	108.3
293	S	35.4	Very low	39.7	Very low	110 Å²	110	124.6 Å²	124.6	77%	0.769	80%	0.802	S	S	*	*			cis	-141.5	174.7	10.3	-76.2	0	0	0	0	111.3
294	R	43	Very low	38.3	Very low	240 Å²	240	122.5 Å²	122.5	91%	0.906	80%	0.8	S	S	*	*			trans	-56.6	142.1	170.5	-68.3	170.7	166.3	153.4	-7.2	112
295	E	28.2	Very low	38.1	Very low	169 Å²	169	122.5 Å²	122.5	79%	0.79	80%	0.797	S	S	*	*				-158.4	167.7	113.5	-159.3	40.8	-94.8	0	0	110.8
296	S	38.5	Very low	37.3	Very low	103 Å²	103	123 Å²	123	72%	0.72	79%	0.794	S	S	*	*			trans	-103.7	140.1	-161.5	-43.8	0	0	0	0	114.5
297	A	32.6	Very low	37.3	Very low	105 Å²	105	123.7 Å²	123.7	87%	0.868	80%	0.796	S	S	*	*			trans	-173.7	132.3	139	0	0	0	0	0	113.5
298	A	35.3	Very low	37	Very low	94 Å²	94	120.7 Å²	120.7	78%	0.777	79%	0.787	S	S	*	*			trans	-118.8	166.2	156.6	0	0	0	0	0	107.4
299	P	47.5	Very low	36.5	Very low	127 Å²	127	117.3 Å²	117.3	83%	0.825	78%	0.78	S	S	*	*				-144.2	174.4	63.6	36.1	-15.2	0	0	0	117
300	S	28.9	Very low	36.2	Very low	107 Å²	107	122.2 Å²	122.2	75%	0.748	79%	0.789	S	S	*	*			trans	-76.9	-169.3	170.7	-26.2	0	0	0	0	111.8
301	P	49.3	Very low	35.6	Very low	117 Å²	117	120.7 Å²	120.7	76%	0.76	78%	0.778	S	S	*	*			cis	-118.2	168.6	7.6	24.1	1	0	0	0	113.5
302	A	32.7	Very low	35.1	Very low	89 Å²	89	122.2 Å²	122.2	74%	0.736	77%	0.77	S	S	*	*			cis	68.3	146.9	47.1	0	0	0	0	0	114.8
303	P	45.6	Very low	34.6	Very low	128 Å²	128	123.2 Å²	123.2	83%	0.831	77%	0.771	S	S	*	*			cis	-129.6	-172.5	-0.3	42.3	-25.1	0	0	0	115.5
304	S	28.2	Very low	34.2	Very low	110 Å²	110	123.2 Å²	123.2	77%	0.769	77%	0.771	S	S	*	*			trans	-71.5	-178.4	169.1	-20.5	0	0	0	0	112.6
305	P	47.8	Very low	33.4	Very low	117 Å²	117	120.3 Å²	120.3	76%	0.76	77%	0.768	S	S	*	*			cis	-145.1	162.8	34.6	42.7	-22.5	0	0	0	119.9
306	A	29.4	Very low	34	Very low	91 Å²	91	117.6 Å²	117.6	75%	0.752	77%	0.765	S	S	*	*			trans	27.3	172.5	130.8	0	0	0	0	0	123.2
307	P	44	Very low	33.5	Very low	112 Å²	112	118 Å²	118	73%	0.727	77%	0.768	S	S	*	*			cis	-132.9	-157	-9.4	34.5	-11.5	0	0	0	113.4
308	S	28	Very low	33.4	Very low	93 Å²	93	117.9 Å²	117.9	65%	0.65	76%	0.761	S	S	*	*			trans	73.8	100.5	149.4	-64	0	0	0	0	119
309	V	29	Very low	33.2	Very low	127 Å²	127	117.9 Å²	117.9	77%	0.77	76%	0.761	S	S	*	*				92.8	158.5	71.1	-71.3	0	0	0	0	114
310	E	27.8	Very low	32.3	Very low	184 Å²	184	120.4 Å²	120.4	86%	0.86	77%	0.766	S	S	*	*			trans	71.8	147	174.9	-68.6	-179.4	-160.2	0	0	117.5
311	S	24.2	Very low	32.2	Very low	93 Å²	93	118.8 Å²	118.8	65%	0.65	77%	0.767	S	S	*	*			cis	-160.7	154.9	-27.1	-157.9	0	0	0	0	111.1
312	L	26.8	Very low	31.2	Very low	143 Å²	143	123 Å²	123	75%	0.749	77%	0.773	S	S	*	*			trans	34.1	131.3	154	-68.2	166.1	0	0	0	122.3
313	T	25.1	Very low	31.9	Very low	128 Å²	128	125 Å²	125	79%	0.785	78%	0.779	S	S	*	*			trans	64.8	149.7	143.3	54.7	0	0	0	0	119.6
314	S	27	Very low	31	Very low	110 Å²	110	122.6 Å²	122.6	77%	0.769	78%	0.777	S	S	*	*			cis	-161.2	-178.3	-12.9	48.5	0	0	0	0	110.1
315	E	24.7	Very low	31.1	Very low	180 Å²	180	126.5 Å²	126.5	84%	0.841	78%	0.783	S	S	*	*			trans	-57.1	171.7	173.1	-57.1	-165.4	116.1	0	0	114.3
316	P	42.4	Very low	31.4	Very low	112 Å²	112	126.6 Å²	126.6	73%	0.727	78%	0.784	S	S	*	*			cis	-143.9	-175.8	15.8	44.5	-24.8	0	0	0	118.5
317	S	28.1	Very low	32.2	Very low	110 Å²	110	127.8 Å²	127.8	77%	0.769	78%	0.784	S	S	*	*			trans	10.8	147.3	142.4	-69.4	0	0	0	0	121.2
318	S	29.2	Very low	31.7	Very low	103 Å²	103	130.5 Å²	130.5	72%	0.72	79%	0.792	S	S	*	*			cis	179.9	-178.5	-0.6	55.8	0	0	0	0	110.9
319	A	31.5	Very low	31.6	Very low	94 Å²	94	137 Å²	137	78%	0.777	80%	0.802	S	S	*	*			trans	70.3	155.3	160.4	0	0	0	0	0	118
320	L	28.8	Very low	31.7	Very low	180 Å²	180	135.9 Å²	135.9	94%	0.942	81%	0.805	S	S	*	*			cis	-167.2	140.4	-27.1	179.6	70.8	0	0	0	108.2
321	G	27.2	Very low	31.7	Very low	73 Å²	73	135.9 Å²	135.9	75%	0.753	80%	0.803	S	S	*	*			trans	-172.2	126.1	175.3	0	0	0	0	0	116.8
322	K	28.8	Very low	32.1	Very low	206 Å²	206	135.7 Å²	135.7	90%	0.896	80%	0.801	S	S	*	*			trans	-138.9	-179.2	169.6	-76.8	-170.2	177.4	-176.4	0	107
323	P	46.2	Very low	32.3	Very low	131 Å²	131	136.6 Å²	136.6	85%	0.851	81%	0.807	S	S	*	*			cis	-132.3	-177.2	-2.5	39.4	-21.5	0	0	0	115
324	G	26.2	Very low	32.4	Very low	78 Å²	78	135.4 Å²	135.4	80%	0.804	80%	0.804	S	S	*	*			trans	167.1	121.6	163.4	0	0	0	0	0	114.4
325	E	30.1	Very low	32.8	Very low	192 Å²	192	138 Å²	138	90%	0.897	81%	0.808	S	S	*	*			trans	-108.6	-179.1	174.5	-44.4	175.2	107.1	0	0	109.7
326	P	55.3	Low	33.1	Very low	119 Å²	119	135.8 Å²	135.8	77%	0.773	81%	0.807	S	S	*	*			cis	-121.3	-138.3	-15.5	42.2	-23.5	0	0	0	108.4
327	P	46.5	Very low	32.6	Very low	116 Å²	116	139 Å²	139	75%	0.753	81%	0.812	S	S	*	*			cis	-129.3	150.8	-23.7	34.1	-14.8	0	0	0	117.4
328	L	31.9	Very low	32.7	Very low	169 Å²	169	143 Å²	143	89%	0.885	82%	0.819	S	S	*	*			trans	-26.8	146.6	157.3	-49.6	171.6	0	0	0	119.4
329	R	27.6	Very low	32.7	Very low	230 Å²	230	146.3 Å²	146.3	87%	0.868	83%	0.828	S	S	*	*				168	110.3	98.7	-178.4	179.4	-174.7	129.4	-8	115.1
330	A	30.6	Very low	32.6	Very low	102 Å²	102	145 Å²	145	84%	0.843	82%	0.823	S	S	*	*			trans	-150.7	167.3	155.1	0	0	0	0	0	110.7
331	K	28.5	Very low	32.6	Very low	185 Å²	185	144.2 Å²	144.2	80%	0.804	82%	0.82	S	S	*	*			trans	-139.9	158.7	-172.7	-74.1	-172.2	176.5	-170.3	0	109.3
332	S	32.6	Very low	33.4	Very low	89 Å²	89	146.8 Å²	146.8	62%	0.622	82%	0.823	S	S	*	*			cis	-170.8	174.3	-15	-88.2	0	0	0	0	107.5
333	N	29.2	Very low	33.5	Very low	162 Å²	162	143.3 Å²	143.3	87%	0.866	81%	0.814	S	S	*	*			trans	81.7	145.8	177.5	-42.9	-16.4	0	0	0	113.7
334	S	28.1	Very low	32.7	Very low	103 Å²	103	141.9 Å²	141.9	72%	0.72	81%	0.814	S	S	*	*			cis	-145.9	143.6	-0.7	-159.3	0	0	0	0	112.8
335	L	34.3	Very low	33.1	Very low	165 Å²	165	143.8 Å²	143.8	86%	0.864	81%	0.81	S	S	*	*			trans	28	141.9	155.8	-70.1	163.5	0	0	0	122.8
336	T	31.4	Very low	33.3	Very low	133 Å²	133	144.6 Å²	144.6	82%	0.816	81%	0.81	S	S	*	*			trans	-106.9	158.2	-175.3	-53.7	0	0	0	0	112
337	E	32.5	Very low	32.2	Very low	179 Å²	179	143.1 Å²	143.1	84%	0.836	81%	0.808	S	S	*	*			trans	-58.2	150.4	171.5	-58.2	166.4	102.7	0	0	113.2
338	Q	29.2	Very low	31.5	Very low	193 Å²	193	147.4 Å²	147.4	90%	0.902	82%	0.815	S	S	*	*			trans	-151.2	105.4	158.9	-162.9	169.5	4.9	0	0	110.8
339	L	29.9	Very low	31.5	Very low	174 Å²	174	147.6 Å²	147.6	91%	0.911	82%	0.816	S	S	*	*			trans	-104.3	132.2	169	-72.8	172.9	0	0	0	109.4
340	G	29.6	Very low	31.7	Very low	65 Å²	65	144.7 Å²	144.7	67%	0.67	82%	0.816	S	S	*	*			trans	173.7	104.7	177.6	0	0	0	0	0	114.6
341	N	28.5	Very low	31.7	Very low	164 Å²	164	145 Å²	145	88%	0.877	81%	0.812	S	S	*	*			trans	67.3	130.5	163.1	-53.3	-21.8	0	0	0	118.9
342	P	44.3	Very low	32	Very low	127 Å²	127	148 Å²	148	83%	0.825	82%	0.818	S	S	*	*			trans	-91.9	162.3	158.9	36.8	-32.3	0	0	0	113.1
343	D	30.2	Very low	32.1	Very low	134 Å²	134	153.1 Å²	153.1	72%	0.717	84%	0.835	S	S	*	*			trans	59	110.2	163.2	-152.9	12.1	0	0	0	121.2	T345	D343-T345 PolarHBondContact OD1-N 2.82Å; D343-T345 PolarHBondContact OD1-OG1 3.21Å
344	A	30.4	Very low	32.2	Very low	101 Å²	101	150.2 Å²	150.2	84%	0.835	83%	0.833	S	S	*	*			trans	-149.3	39.9	157.2	0	0	0	0	0	110.1	K346	A344-K346 PolarHBondContact O-N 2.97Å
345	T	34.3	Very low	32.8	Very low	117 Å²	117	155.3 Å²	155.3	72%	0.718	84%	0.842	S	S	*	*			trans	-88.5	51.5	-152.7	-31.4	0	0	0	0	115	D343	D343-T345 PolarHBondContact OD1-N 2.82Å; D343-T345 PolarHBondContact OD1-OG1 3.21Å
346	K	33.8	Very low	33	Very low	209 Å²	209	156.6 Å²	156.6	91%	0.909	85%	0.846	S	S	*	*			trans	-167.7	89.1	168.6	-113.5	163.4	-173	173.1	0	114.3	A344	A344-K346 PolarHBondContact O-N 2.97Å
347	A	32.1	Very low	33.1	Very low	88 Å²	88	153.6 Å²	153.6	73%	0.727	84%	0.842	S	S	*	*			trans	170.4	151.8	141	0	0	0	0	0	113.7
348	K	33.3	Very low	33.4	Very low	206 Å²	206	154.2 Å²	154.2	90%	0.896	85%	0.845	S	S	*	*			trans	63.5	73.3	157.5	-64.7	163	-174.8	173.1	0	118.1
349	L	30.3	Very low	34.5	Very low	174 Å²	174	150.4 Å²	150.4	91%	0.911	84%	0.837	S	S	*	*			trans	-127.9	73.2	147.5	-171.7	69.8	0	0	0	111.5
350	I	32.5	Very low	34.5	Very low	169 Å²	169	150.7 Å²	150.7	87%	0.867	84%	0.836	S	S	*	*			trans	-137.1	138.8	156.9	-61.8	-175.4	0	0	0	108.8
351	S	30.2	Very low	35	Very low	109 Å²	109	155.1 Å²	155.1	76%	0.762	84%	0.843	S	S	*	*			trans	86.3	105.8	170.9	-162	0	0	0	0	118.2
352	R	35.3	Very low	36	Very low	248 Å²	248	152 Å²	152	94%	0.936	83%	0.832	S	S	*	*			trans	-166.9	58.8	139.7	-108.3	168.9	-167.4	-169.8	4.7	113.4
353	M	33.8	Very low	35.4	Very low	195 Å²	195	155.3 Å²	155.3	96%	0.961	83%	0.833	S	S	*	*			trans	-132	73.4	163.2	-71.5	-162.4	82.3	0	0	111.8
354	A	32.9	Very low	35.4	Very low	102 Å²	102	155.6 Å²	155.6	84%	0.843	83%	0.834	S	S	*	*			trans	-172.5	117.5	155.7	0	0	0	0	0	109.1
355	K	39.4	Very low	35.2	Very low	209 Å²	209	156.9 Å²	156.9	91%	0.909	83%	0.832	S	S	*	*			trans	-147.2	70.2	166.2	-164	178.9	179.4	-177.8	0	111.2
356	M	38.3	Very low	34.9	Very low	192 Å²	192	155.1 Å²	155.1	95%	0.946	84%	0.837	S	S	*	*			trans	-109.6	140.8	156.7	-72.1	-70.8	-77.5	0	0	106.5
357	G	33.9	Very low	34.6	Very low	70 Å²	70	149.9 Å²	149.9	72%	0.722	83%	0.833	S	S	*	*			trans	-125.9	145.7	-168.8	0	0	0	0	0	114.2
358	Q	38.3	Very low	34.5	Very low	193 Å²	193	151 Å²	151	90%	0.902	84%	0.842	S	S	*	*			trans	59	161.1	148.6	-70.9	-170.7	-16.4	0	0	119.6
359	P	53.6	Low	34.2	Very low	112 Å²	112	144.5 Å²	144.5	73%	0.727	83%	0.834	S	S	*	*			cis	-136.1	176.2	-42.2	38.5	-24	0	0	0	112.1
360	M	29.8	Very low	34.2	Very low	181 Å²	181	145.3 Å²	145.3	89%	0.892	83%	0.833	S	S	*	*			trans	-160.1	161	148.4	-96.3	-102	77.5	0	0	109.5
361	L	39.9	Very low	35	Very low	157 Å²	157	142 Å²	142	82%	0.822	82%	0.822	S	S	*	*			trans	-114.2	168.5	-169.8	-84.1	168.3	0	0	0	112.5
362	P	49.5	Very low	34.8	Very low	99 Å²	99	145.5 Å²	145.5	64%	0.643	83%	0.826	S	S	*	*			trans	-110.4	179	-158.6	42.7	-37.3	0	0	0	115
363	F	31.6	Very low	34.4	Very low	196 Å²	196	139 Å²	139	86%	0.86	82%	0.819	S	S	*	*			trans	-145.5	127.6	162.6	-79.1	-67.8	0	0	0	115.7
364	L	30.2	Very low	34.4	Very low	141 Å²	141	135.2 Å²	135.2	74%	0.738	81%	0.812	S	S	*	*			trans	53.3	101.1	133.6	-63.6	169.1	0	0	0	123.9
365	T	26.7	Very low	33.9	Very low	128 Å²	128	138 Å²	138	79%	0.785	81%	0.813	S	S	*	*				40.6	124.3	113.2	60.9	0	0	0	0	124.2
366	G	27.6	Very low	33.9	Very low	80 Å²	80	132.2 Å²	132.2	83%	0.825	80%	0.798	S	S	*	*			trans	84.9	165.5	132.8	0	0	0	0	0	119.4
367	A	27.8	Very low	33.6	Very low	99 Å²	99	130.9 Å²	130.9	82%	0.818	79%	0.79	S	S	*	*			cis	-168.1	161.2	-18.2	0	0	0	0	0	111.4
368	A	29	Very low	33.4	Very low	110 Å²	110	135.3 Å²	135.3	91%	0.909	80%	0.796	S	S	*	*			trans	66.7	145.6	170.5	0	0	0	0	0	119.2
369	G	28.6	Very low	33	Very low	71 Å²	71	135.1 Å²	135.1	73%	0.732	80%	0.795	S	S	*	*			cis	166.2	160.5	-13.4	0	0	0	0	0	116.2
370	Q	29	Very low	31.7	Very low	191 Å²	191	136.6 Å²	136.6	89%	0.893	80%	0.797	S	S	*	*			trans	65.4	165.6	158.8	-94.3	-164.9	-47.7	0	0	120.4
371	P	50.3	Low	31.4	Very low	98 Å²	98	133.4 Å²	133.4	64%	0.636	79%	0.788	S	S	*	*			cis	-131	-167.7	-8.3	31.1	-8.3	0	0	0	115.6
372	E	25.5	Very low	30.8	Very low	183 Å²	183	130.2 Å²	130.2	86%	0.855	78%	0.778	S	S	*	*			trans	84.9	132	164.7	-55.7	-156.9	-179.2	0	0	118.6
373	S	27.8	Very low	29.6	Very low	111 Å²	111	132.7 Å²	132.7	78%	0.776	79%	0.785	S	S	*	*			cis	-154.8	161	-19.9	-163.2	0	0	0	0	110.2
374	S	32.4	Very low	29.4	Very low	117 Å²	117	129 Å²	129	82%	0.818	78%	0.783	S	S	*	*			trans	-129.7	136.7	176.1	-66.4	0	0	0	0	111.1
375	D	23	Very low	29.1	Very low	161 Å²	161	133.2 Å²	133.2	86%	0.861	79%	0.789	S	S	*	*			trans	-158	169.8	140.2	-146	-12.5	0	0	0	110.4
376	S	38.7	Very low	29.1	Very low	87 Å²	87	133.1 Å²	133.1	61%	0.608	79%	0.788	S	S	*	*			trans	-128.6	-161.5	179	-58.2	0	0	0	0	109.9
377	E	31.5	Very low	29.1	Very low	163 Å²	163	137.2 Å²	137.2	76%	0.762	78%	0.783	S	S	*	*			cis	-156.4	-159.8	-3.4	-146.8	137.8	86.6	0	0	108.8
378	L	31.7	Very low	29	Very low	163 Å²	163	138.9 Å²	138.9	85%	0.853	78%	0.778	S	S	*	*			trans	81.6	168.8	162.3	-47.9	-175	0	0	0	118.3
379	E	28.6	Very low	28.8	Very low	189 Å²	189	137 Å²	137	88%	0.883	77%	0.77	S	S	*	*			trans	-109.3	146.9	-154.2	-59.3	178	121.8	0	0	115.1
380	D	26	Very low	30	Very low	144 Å²	144	139.5 Å²	139.5	77%	0.77	77%	0.773	S	S	*	*			trans	37.2	146.3	139.4	-145.4	0.2	0	0	0	124
381	T	25	Very low	30	Very low	114 Å²	114	136.5 Å²	136.5	70%	0.699	77%	0.768	S	S	*	*			trans	68.8	155.1	172.1	83.5	0	0	0	0	115.4
382	S	25.8	Very low	29	Very low	89 Å²	89	136.1 Å²	136.1	62%	0.622	77%	0.773	S	S	*	*			cis	-161.8	141.1	34.9	-92.5	0	0	0	0	115.1
383	I	24.9	Very low	30.7	Very low	152 Å²	152	132.7 Å²	132.7	78%	0.779	77%	0.767	S	S	*	*				40.5	121.6	127.6	-49.6	165.8	0	0	0	121.3
384	S	26.9	Very low	31.8	Very low	117 Å²	117	133.6 Å²	133.6	82%	0.818	77%	0.77	S	S	*	*				170.2	149.4	128.6	40.5	0	0	0	0	110.8
385	R	25	Very low	32.1	Very low	231 Å²	231	135 Å²	135	87%	0.872	77%	0.773	S	S	*	*			cis	123.1	148.5	7.6	179.4	-177.2	-92.4	-154.1	-0.7	109.8
386	V	26.1	Very low	32.6	Very low	125 Å²	125	130.5 Å²	130.5	76%	0.758	77%	0.765	S	S	*	*			trans	103.9	109.8	174.4	178.8	0	0	0	0	112.7
387	K	27.1	Very low	33.6	Very low	167 Å²	167	132 Å²	132	73%	0.726	77%	0.773	S	S	*	*				79.1	145.7	78.2	-111.1	177.9	156	-78.3	0	112.3
388	D	25.8	Very low	33.5	Very low	133 Å²	133	131.8 Å²	131.8	71%	0.711	78%	0.775	S	S	*	*			cis	-151.3	169	17	-106.1	-59.3	0	0	0	111.1
389	G	24.7	Very low	33.4	Very low	72 Å²	72	130.2 Å²	130.2	74%	0.742	77%	0.772	S	S	*	*			trans	132.8	121.7	160.2	0	0	0	0	0	118.1
390	P	54.5	Low	33.4	Very low	123 Å²	123	125.5 Å²	125.5	80%	0.799	77%	0.766	S	S	*	*			trans	-131.5	-166.2	-173.6	34.5	-13.5	0	0	0	116.6
391	V	29	Very low	33.4	Very low	127 Å²	127	123.7 Å²	123.7	77%	0.77	77%	0.771	S	S	*	*			trans	109.9	94.4	154.4	-172.1	0	0	0	0	119.3
392	A	28.4	Very low	33.5	Very low	91 Å²	91	122.7 Å²	122.7	75%	0.752	77%	0.774	S	S	*	*				69.6	174.7	117.8	0	0	0	0	0	121.7
393	P	60.9	Low	34.6	Very low	111 Å²	111	124.4 Å²	124.4	72%	0.721	78%	0.783	S	S	*	*			trans	-105.8	-168	-155.9	43.5	-39.4	0	0	0	115.2
394	P	51.8	Low	34.7	Very low	129 Å²	129	121 Å²	121	84%	0.838	78%	0.778	S	S	*	*				-144.2	-177.6	101	40.5	-26.2	0	0	0	115.8
395	V	38.5	Very low	34.6	Very low	147 Å²	147	121.3 Å²	121.3	89%	0.891	78%	0.78	S	S	*	*			trans	-116.7	146	178.7	173.7	0	0	0	0	110.2
396	G	34.3	Very low	34.5	Very low	67 Å²	67	114 Å²	114	69%	0.691	77%	0.769	S	S	*	*			trans	-160.9	158.9	173.6	0	0	0	0	0	113.9
397	P	58.7	Low	34.7	Very low	119 Å²	119	116.8 Å²	116.8	77%	0.773	77%	0.773	S	S	*	*			trans	-129.8	177.7	-152.3	37.3	-19	0	0	0	116
398	I	29.5	Very low	34.7	Very low	158 Å²	158	112.9 Å²	112.9	81%	0.81	77%	0.772	S	S	*	*				167.7	156	129.6	-84	156	0	0	0	111.9
399	T	29.8	Very low	34.8	Very low	129 Å²	129	115.1 Å²	115.1	79%	0.791	78%	0.778	S	S	*	*			trans	-48.4	166.1	-175.4	58.7	0	0	0	0	117.6
400	A	28.5	Very low	35.8	Very low	91 Å²	91	117 Å²	117	75%	0.752	78%	0.777	S	S	*	*			cis	-161.5	164.5	31.1	0	0	0	0	0	117.3
401	A	26.5	Very low	34.4	Very low	105 Å²	105	119.2 Å²	119.2	87%	0.868	78%	0.781	S	S	*	*			trans	73.8	137.7	152.4	0	0	0	0	0	121.6
402	A	26.3	Very low	34.9	Very low	93 Å²	93	118 Å²	118	77%	0.769	78%	0.777	S	S	*	*			trans	-101	-164.9	166.3	0	0	0	0	0	108.9
403	P	49.6	Very low	35.3	Very low	126 Å²	126	121.4 Å²	121.4	82%	0.818	78%	0.776	S	S	*	*			cis	-128.5	-157.1	15.5	42	-22.9	0	0	0	112.7
404	A	26.3	Very low	33.8	Very low	80 Å²	80	121.4 Å²	121.4	66%	0.661	78%	0.775	S	S	*	*				-167.2	170.6	-61.3	0	0	0	0	0	108.3
405	S	24.9	Very low	33	Very low	123 Å²	123	119.1 Å²	119.1	86%	0.86	77%	0.766	S	S	*	*			trans	64.2	164	168.2	74.7	0	0	0	0	117.3
406	A	23.5	Very low	33.7	Very low	78 Å²	78	117.7 Å²	117.7	65%	0.645	76%	0.76	S	S	*	*			cis	-166.2	160.7	-36.1	0	0	0	0	0	109.8
407	H	29.9	Very low	33.5	Very low	183 Å²	183	119.3 Å²	119.3	85%	0.847	76%	0.761	S	S	*	*			trans	63.4	124.2	162.4	-64.5	-4.4	0	0	0	119.8
408	A	26.9	Very low	32.2	Very low	86 Å²	86	119.3 Å²	119.3	71%	0.711	76%	0.763	S	S	*	*			trans	50.5	148.6	133.2	0	0	0	0	0	121.5
409	H	28.6	Very low	32.5	Very low	179 Å²	179	116 Å²	116	83%	0.829	76%	0.759	S	S	*	*			cis	-127	159.2	4.2	-99.9	-85.7	0	0	0	111
410	P	45.5	Very low	32.9	Very low	112 Å²	112	116.9 Å²	116.9	73%	0.727	76%	0.759	S	S	*	*			trans	-84.2	145.6	175.8	34.6	-33.6	0	0	0	112.5
411	L	25	Very low	33.2	Very low	169 Å²	169	119.7 Å²	119.7	89%	0.885	76%	0.761	S	S	*	*			trans	-143.7	117.3	153.5	-102	167.1	0	0	0	107.4	H413	L411-H413 PolarHBondContact O-N 2.74Å
412	P	40.3	Very low	34.4	Very low	103 Å²	103	120 Å²	120	67%	0.669	75%	0.753	S	S	*	*			trans	-76.8	124.5	-165.7	28.3	-34.6	0	0	0	114.2
413	H	35.1	Very low	34.7	Very low	162 Å²	162	121.8 Å²	121.8	75%	0.75	75%	0.754	S	S	*	*				69.2	106.5	117.3	-62.9	-51	0	0	0	119.2	L411	L411-H413 PolarHBondContact O-N 2.74Å
414	T	30.5	Very low	33.9	Very low	111 Å²	111	123.4 Å²	123.4	68%	0.681	76%	0.755	S	S	*	*				67.3	125.2	79.4	61.8	0	0	0	0	113.4
415	A	35.1	Very low	35.6	Very low	80 Å²	80	124.9 Å²	124.9	66%	0.661	76%	0.757	S	S	*	*			cis	64.7	156.5	47.5	0	0	0	0	0	113
416	P	52.3	Low	35.9	Very low	118 Å²	118	124.4 Å²	124.4	77%	0.766	75%	0.754	S	S	*	*			cis	-110	168.7	4.1	9.2	16.8	0	0	0	113.6
417	S	31	Very low	36.2	Very low	101 Å²	101	127.6 Å²	127.6	71%	0.706	77%	0.765	S	S	*	*				74	139.6	51.8	-39.3	0	0	0	0	114.4
418	S	31.9	Very low	36.1	Very low	118 Å²	118	121.7 Å²	121.7	83%	0.825	75%	0.754	S	S	*	*			cis	73.3	152.2	23.6	-51.8	0	0	0	0	114.7
419	A	36.1	Very low	37.2	Very low	88 Å²	88	123.1 Å²	123.1	73%	0.727	76%	0.756	S	S	*	*			cis	-165.5	176.1	7.4	0	0	0	0	0	109.2
420	L	36.8	Very low	37.3	Very low	149 Å²	149	125.1 Å²	125.1	78%	0.78	76%	0.758	S	S	*	*			cis	-174	161.2	-22.5	-107.2	174.1	0	0	0	109.6
421	L	35.1	Very low	37.5	Very low	150 Å²	150	125.6 Å²	125.6	79%	0.785	76%	0.761	S	S	*	*			trans	65.3	-168	158.4	-63.2	164.1	0	0	0	116.4
422	P	52	Low	37.6	Very low	110 Å²	110	120.9 Å²	120.9	71%	0.714	75%	0.753	S	S	*	*			cis	-94.7	-158.5	33.4	5.2	19.1	0	0	0	113.7
423	V	31.5	Very low	37.5	Very low	131 Å²	131	124.5 Å²	124.5	79%	0.794	77%	0.766	S	S	*	*			cis	-156.7	164	24	-146.9	0	0	0	0	112.4
424	I	33.9	Very low	38.3	Very low	160 Å²	160	122.4 Å²	122.4	82%	0.821	77%	0.767	S	S	*	*			trans	-150.1	164.3	168.1	-0.8	173.1	0	0	0	109.4
425	P	60.8	Low	38	Very low	111 Å²	111	121.4 Å²	121.4	72%	0.721	77%	0.769	S	S	*	*				-154.5	-172.7	61.1	42.1	-19.8	0	0	0	118.8
426	S	32.3	Very low	37.8	Very low	114 Å²	114	122.6 Å²	122.6	80%	0.797	77%	0.773	S	S	*	*			trans	79.2	149.9	163.4	-71.7	0	0	0	0	119.2
427	V	30.8	Very low	36.6	Very low	144 Å²	144	121.7 Å²	121.7	87%	0.873	77%	0.769	S	S	*	*			cis	-162.4	177.3	-15.8	70.5	0	0	0	0	110.6
428	G	26.1	Very low	36.5	Very low	60 Å²	60	125.4 Å²	125.4	62%	0.619	78%	0.775	S	S	*	*			trans	-111	-155.3	179.3	0	0	0	0	0	115.6
429	P	51.1	Low	36.3	Very low	115 Å²	115	124 Å²	124	75%	0.747	77%	0.771	S	S	*	*			cis	-141	167.9	13.2	43.4	-25.5	0	0	0	119.1
430	Y	30.5	Very low	36	Very low	222 Å²	222	130 Å²	130	87%	0.871	78%	0.781	S	S	*	*			trans	32.5	165.3	143.7	-72.2	-57.5	0	0	0	124.8
431	P	49.7	Very low	35.5	Very low	121 Å²	121	131.3 Å²	131.3	79%	0.786	78%	0.783	S	S	*	*			cis	-139.2	176.3	-31	39.1	-22	0	0	0	115.7
432	G	27.2	Very low	35	Very low	70 Å²	70	130 Å²	130	72%	0.722	78%	0.782	S	S	*	*			trans	128.7	93.7	136.3	0	0	0	0	0	123.1
433	L	38.1	Very low	33.9	Very low	180 Å²	180	131 Å²	131	94%	0.942	79%	0.791	S	S	*	*			trans	57.6	164.7	137.7	-70.4	174.3	0	0	0	122.6
434	P	50.8	Low	33.8	Very low	118 Å²	118	129 Å²	129	77%	0.766	79%	0.788	S	S	*	*			trans	-126.3	178.5	-148.8	45.6	-34.3	0	0	0	117.1
435	A	25.7	Very low	33.7	Very low	89 Å²	89	126.1 Å²	126.1	74%	0.736	79%	0.788	S	S	*	*			trans	-160.5	152.1	158.2	0	0	0	0	0	113.9
436	S	29.7	Very low	32.9	Very low	105 Å²	105	126.1 Å²	126.1	73%	0.734	79%	0.788	S	S	*	*			trans	33.6	125.2	150.2	58	0	0	0	0	121.4
437	S	27	Very low	32.7	Very low	99 Å²	99	126.6 Å²	126.6	69%	0.692	79%	0.786	S	S	*	*			cis	92.9	129.7	35.2	77.1	0	0	0	0	115.9
438	H	29.2	Very low	32.8	Very low	180 Å²	180	128.8 Å²	128.8	83%	0.833	79%	0.787	S	S	*	*			trans	61.4	125.1	173.6	-64.8	-78	0	0	0	116.7
439	A	28.9	Very low	32.9	Very low	88 Å²	88	134.8 Å²	134.8	73%	0.727	80%	0.801	S	S	*	*			cis	92.7	139	48.6	0	0	0	0	0	112.7
440	F	28.2	Very low	32	Very low	215 Å²	215	138.7 Å²	138.7	94%	0.943	81%	0.81	S	S	*	*			trans	-130.6	129.5	-168	-111.4	-85.5	0	0	0	111.1
441	Q	26.8	Very low	32	Very low	176 Å²	176	132.8 Å²	132.8	82%	0.822	81%	0.806	S	S	*	*			trans	-144.8	130.6	158.3	-140.8	-176.4	21.7	0	0	111.8
442	T	25.7	Very low	31.1	Very low	123 Å²	123	134.3 Å²	134.3	76%	0.755	81%	0.813	S	S	*	*			trans	20.2	121.9	156.1	55	0	0	0	0	121.4
443	S	27.4	Very low	31.1	Very low	131 Å²	131	133.8 Å²	133.8	92%	0.916	81%	0.808	S	S	*	*				-161.3	172.7	121.2	-162.7	0	0	0	0	110.5
444	A	29.1	Very low	30.7	Very low	88 Å²	88	134.4 Å²	134.4	73%	0.727	81%	0.806	S	S	*	*			trans	-137.6	139.2	-168.2	0	0	0	0	0	115.4
445	A	33.2	Very low	29.7	Very low	100 Å²	100	135.4 Å²	135.4	83%	0.826	81%	0.81	S	S	*	*			trans	65.9	169.4	161.1	0	0	0	0	0	116.6
446	P	43.8	Very low	29.9	Very low	110 Å²	110	142 Å²	142	71%	0.714	82%	0.817	S	S	*	*			cis	-130.3	169.5	-0.4	42.2	-27.1	0	0	0	116.6
447	T	28.8	Very low	29.8	Very low	124 Å²	124	141 Å²	141	76%	0.761	82%	0.815	S	S	*	*			trans	48	112.9	147.7	-55	0	0	0	0	120.4
448	Q	31.5	Very low	30.2	Very low	190 Å²	190	142.2 Å²	142.2	89%	0.888	82%	0.821	S	S	*	*				-175.9	165.8	97.8	-148.9	158.8	105.5	0	0	111.1
449	M	28.9	Very low	30.2	Very low	186 Å²	186	142.4 Å²	142.4	92%	0.916	82%	0.822	S	S	*	*			trans	-93.5	140.5	-174.3	-61.2	-176.2	-68.6	0	0	113.7
450	Q	31.1	Very low	30.2	Very low	198 Å²	198	143.6 Å²	143.6	93%	0.925	82%	0.821	S	S	*	*			trans	-148.4	136	141.7	-156.8	164.5	10.2	0	0	110.2
451	A	32.4	Very low	30.6	Very low	97 Å²	97	139.6 Å²	139.6	80%	0.802	81%	0.813	S	S	*	*			trans	-120.9	127.9	-171.3	0	0	0	0	0	112
452	V	28.8	Very low	31.4	Very low	153 Å²	153	135.8 Å²	135.8	93%	0.927	80%	0.804	S	S	*	*			trans	-147.7	141.5	171.9	-176.8	0	0	0	0	108.2
453	G	29.1	Very low	31.7	Very low	60 Å²	60	138.3 Å²	138.3	62%	0.619	80%	0.801	S	S	*	*			trans	110.8	68.9	-179.2	0	0	0	0	0	112.7
454	Q	29.7	Very low	31.9	Very low	193 Å²	193	140.8 Å²	140.8	90%	0.902	80%	0.8	S	S	*	*				62.3	102.4	101.3	-71.7	-165.2	-32.6	0	0	115
455	V	29.3	Very low	32.1	Very low	138 Å²	138	139.8 Å²	139.8	84%	0.836	80%	0.798	S	S	*	*			trans	-105.4	128.6	166	175.6	0	0	0	0	108.7
456	Y	30.5	Very low	32.6	Very low	227 Å²	227	140.1 Å²	140.1	89%	0.89	80%	0.795	S	S	*	*			trans	-84	133.7	163.4	-101.5	-92.1	0	0	0	109.4
457	A	27.5	Very low	32.5	Very low	85 Å²	85	136.5 Å²	136.5	70%	0.702	78%	0.778	S	S	*	*			trans	-123.7	119.6	175.5	0	0	0	0	0	110.5
458	P	34.5	Very low	33.3	Very low	125 Å²	125	138.9 Å²	138.9	81%	0.812	78%	0.78	S	S	*	*			trans	-75.9	155.3	166.6	32.3	-32.8	0	0	0	110.8
459	Q	29.5	Very low	33.9	Very low	184 Å²	184	136.5 Å²	136.5	86%	0.86	77%	0.773	S	S	*	*			trans	-79.3	137.9	-170.1	-64.8	172.1	-23.1	0	0	113.5
460	T	28	Very low	34.8	Very low	113 Å²	113	131.2 Å²	131.2	69%	0.693	75%	0.751	S	S	*	*			trans	-135.8	138.9	156.3	56.3	0	0	0	0	110.1
461	V	36.8	Very low	35.8	Very low	130 Å²	130	126.9 Å²	126.9	79%	0.788	73%	0.734	S	S	*	*			trans	-152.7	137.2	-172.2	-164.4	0	0	0	0	103.9
462	P	45	Very low	36.8	Very low	96 Å²	96	128.9 Å²	128.9	62%	0.623	73%	0.725	S	S	*	*			cis	-149.3	-166	46	42.9	-21.8	0	0	0	117.1
463	Y	30.4	Very low	38.2	Very low	176 Å²	176	126.8 Å²	126.8	69%	0.69	71%	0.708	S	S	*	*			trans	92.9	87.8	151.8	-149.4	-98.1	0	0	0	118.2
464	M	32	Very low	39.5	Very low	183 Å²	183	129 Å²	129	90%	0.901	70%	0.704	S	S	*	*			trans	-128.1	136.4	161.1	-96.2	-72.1	117.2	0	0	110
465	G	33.1	Very low	40.9	Very low	67 Å²	67	123.9 Å²	123.9	69%	0.691	69%	0.686	S	S	*	*			trans	45.9	102.7	156.6	0	0	0	0	0	120	G467	G465-G467 PolarHBondContact O-N 2.68Å
466	S	43.6	Very low	42.5	Very low	107 Å²	107	122.8 Å²	122.8	75%	0.748	67%	0.672	S	S	*	*	S	Bend	trans	-72.7	43	166	47.9	0	0	0	0	114.1	T470	S466-T470 PolarHBondContact O-OG1 2.96Å
467	G	43.3	Very low	44	Very low	35 Å²	35	114.4 Å²	114.4	36%	0.361	65%	0.649	S	S	.	*			trans	-90.6	-52.5	-168	0	0	0	0	0	116.1	G465 N471	G465-G467 PolarHBondContact O-N 2.68Å; G467-N471 PolarHBondContact O-N 2.82Å; G467-N471 PolarHBondContact O-ND2 2.93Å
468	E	44.5	Very low	45.7	Very low	174 Å²	174	118.4 Å²	118.4	81%	0.813	65%	0.646	S	S	*	*	H	α-helix	trans	-82.5	-43.3	-159.7	-63.4	-166.3	125	0	0	114.7	T470 N471 F472	E468-T470 VanDerWaalsContact C-N 3.3Å; E468-T470 PolarHBondContact O-N 2.76Å; E468-N471 PolarHBondContact O-N 3.06Å; E468-N471 VanDerWaalsContact O-N 3.16Å; E468-F472 PolarHBondContact O-N 3.49Å
469	L	43.7	Very low	47.3	Very low	140 Å²	140	119 Å²	119	73%	0.733	64%	0.638	S	S	*	*	H	α-helix	trans	-63.4	-38.2	-178.1	-170.9	64.5	0	0	0	112	F472 L473	L469-F472 PolarHBondContact O-N 3.37Å; L469-L473 PolarHBondContact O-N 2.87Å; L469-L473 VanDerWaalsContact O-N 3.1Å
470	T	48.7	Very low	49.1	Very low	75 Å²	75	115.7 Å²	115.7	46%	0.46	62%	0.622	S	S	.	*	H	α-helix	trans	-63.6	-41.3	175.6	-36.4	0	0	0	0	111.6	S466 E468 M474	S466-T470 PolarHBondContact O-OG1 2.96Å; E468-T470 VanDerWaalsContact C-N 3.3Å; E468-T470 PolarHBondContact O-N 2.76Å; T470-M474 WeakPolarHBondContact O-CB 3.32Å; T470-M474 WeakPolarHBondContact O-CG 3.31Å; T470-M474 PolarHBondContact O-N 3.32Å
471	N	50.6	Low	50.9	Low	107 Å²	107	114.1 Å²	114.1	57%	0.572	61%	0.61	S	S	*	*	H	α-helix	trans	-69	-36.8	176.8	-79.3	-19.3	0	0	0	112.4	G467 E468 T475	G467-N471 PolarHBondContact O-N 2.82Å; G467-N471 PolarHBondContact O-ND2 2.93Å; E468-N471 PolarHBondContact O-N 3.06Å; E468-N471 VanDerWaalsContact O-N 3.16Å; N471-T475 WeakPolarHBondContact O-CB 3.46Å; N471-T475 PolarHBondContact O-N 2.92Å; N471-T475 VanDerWaalsContact O-N 3.1Å; N471-T475 PolarHBondContact O-OG1 2.92Å
472	F	54.8	Low	52.6	Low	139 Å²	139	111.5 Å²	111.5	61%	0.61	59%	0.594	S	S	*	*	H	α-helix	trans	-62.5	-55.2	175.6	-164.1	-91	0	0	0	110.9	E468 L469 M474 T475 E476	E468-F472 PolarHBondContact O-N 3.49Å; L469-F472 PolarHBondContact O-N 3.37Å; F472-M474 PolarHBondContact O-N 3.18Å; F472-T475 PolarHBondContact O-N 3.37Å; F472-T475 VanDerWaalsContact O-N 3.09Å; F472-E476 PolarHBondContact O-N 3.12Å
473	L	58.2	Low	54	Low	109 Å²	109	113.1 Å²	113.1	57%	0.571	59%	0.593	S	S	*	*	H	α-helix	trans	-62.3	-40.4	-179.3	-120.4	72.9	0	0	0	113	L469 T475 A477	L469-L473 PolarHBondContact O-N 2.87Å; L469-L473 VanDerWaalsContact O-N 3.1Å; L473-T475 VanDerWaalsContact C-N 3.28Å; L473-T475 PolarHBondContact O-N 2.88Å; L473-A477 VanDerWaalsContact O-CB 3.26Å; L473-A477 WeakPolarHBondContact O-CB 3.17Å; L473-A477 PolarHBondContact O-N 3.28Å
474	M	56.9	Low	56	Low	106 Å²	106	107.9 Å²	107.9	52%	0.522	58%	0.577	S	S	.	*	H	α-helix	trans	-68.5	-25.6	176.1	-76.9	-156.9	-177.6	0	0	113.4	T470 F472 R478	T470-M474 WeakPolarHBondContact O-CB 3.32Å; T470-M474 WeakPolarHBondContact O-CG 3.31Å; T470-M474 PolarHBondContact O-N 3.32Å; F472-M474 PolarHBondContact O-N 3.18Å; M474-R478 WeakPolarHBondContact O-CB 3.26Å; M474-R478 VanDerWaalsContact O-CD 3.27Å; M474-R478 WeakPolarHBondContact O-CD 3.42Å; M474-R478 WeakPolarHBondContact O-CG 3.45Å; M474-R478 PolarHBondContact O-N 3.4Å
475	T	58.5	Low	58.1	Low	86 Å²	86	107.1 Å²	107.1	53%	0.528	56%	0.563	S	S	.	*	H	α-helix	trans	-77.3	-48	176.6	-57.5	0	0	0	0	110.5	N471 F472 L473 A477 R478 Q479	N471-T475 WeakPolarHBondContact O-CB 3.46Å; N471-T475 PolarHBondContact O-N 2.92Å; N471-T475 VanDerWaalsContact O-N 3.1Å; N471-T475 PolarHBondContact O-OG1 2.92Å; F472-T475 PolarHBondContact O-N 3.37Å; F472-T475 VanDerWaalsContact O-N 3.09Å; L473-T475 VanDerWaalsContact C-N 3.28Å; L473-T475 PolarHBondContact O-N 2.88Å; T475-A477 PolarHBondContact O-N 3.35Å; T475-R478 PolarHBondContact O-N 3.47Å; T475-R478 VanDerWaalsContact O-N 3.17Å; T475-Q479 PolarHBondContact O-N 3.3Å
476	E	62.8	Low	60	Low	115 Å²	115	109 Å²	109	54%	0.537	56%	0.557	S	S	.	*	H	α-helix	trans	-60.6	-45.9	177.6	-172.2	170.5	-156.4	0	0	111.9	F472 R478 Q479 H480	F472-E476 PolarHBondContact O-N 3.12Å; E476-R478 VanDerWaalsContact C-N 3.27Å; E476-R478 PolarHBondContact O-N 3.34Å; E476-Q479 PolarHBondContact O-N 2.76Å; E476-H480 PolarHBondContact O-N 2.88Å
477	A	61.2	Low	61.5	Low	50 Å²	50	106.6 Å²	106.6	41%	0.413	54%	0.54	S	S	.	.	H	α-helix	trans	-62.4	-31.2	176.5	0	0	0	0	0	113.3	L473 T475 N481	L473-A477 VanDerWaalsContact O-CB 3.26Å; L473-A477 WeakPolarHBondContact O-CB 3.17Å; L473-A477 PolarHBondContact O-N 3.28Å; T475-A477 PolarHBondContact O-N 3.35Å; A477-N481 WeakPolarHBondContact O-CB 3.31Å; A477-N481 PolarHBondContact O-N 2.87Å; A477-N481 PolarHBondContact O-ND2 3.45Å
478	R	64.5	Low	63	Low	170 Å²	170	109.9 Å²	109.9	64%	0.642	55%	0.549	S	S	*	.	H	α-helix	trans	-76.3	-37.4	174.8	-76.2	172.2	-176.8	179.5	2.8	112.3	M474 T475 E476 T482	M474-R478 WeakPolarHBondContact O-CB 3.26Å; M474-R478 VanDerWaalsContact O-CD 3.27Å; M474-R478 WeakPolarHBondContact O-CD 3.42Å; M474-R478 WeakPolarHBondContact O-CG 3.45Å; M474-R478 PolarHBondContact O-N 3.4Å; T475-R478 PolarHBondContact O-N 3.47Å; T475-R478 VanDerWaalsContact O-N 3.17Å; E476-R478 VanDerWaalsContact C-N 3.27Å; E476-R478 PolarHBondContact O-N 3.34Å; R478-T482 PolarHBondContact O-N 3.03Å; R478-T482 VanDerWaalsContact O-N 3.1Å; R478-T482 PolarHBondContact O-OG1 2.7Å
479	Q	68.3	Low	64.6	Low	137 Å²	137	103.1 Å²	103.1	64%	0.64	53%	0.525	S	S	*	.	H	α-helix	trans	-63.3	-51.2	174.8	-174.8	167.2	-20.3	0	0	110.6	T475 E476 N481 T482 E483	T475-Q479 PolarHBondContact O-N 3.3Å; E476-Q479 PolarHBondContact O-N 2.76Å; Q479-N481 VanDerWaalsContact C-N 3.33Å; Q479-N481 PolarHBondContact O-N 2.77Å; Q479-T482 WeakPolarHBondContact O-CA 3.34Å; Q479-T482 WeakPolarHBondContact O-CB 3.35Å; Q479-T482 PolarHBondContact O-N 2.75Å; Q479-E483 PolarHBondContact O-N 2.75Å
480	H	67.1	Low	66.2	Low	115 Å²	115	103 Å²	103	53%	0.532	52%	0.519	S	S	.	.	H	α-helix	trans	-60.7	-38.2	177.8	-164.6	-23.2	0	0	0	112.7	E476 T482 E483 I484	E476-H480 PolarHBondContact O-N 2.88Å; H480-T482 VanDerWaalsContact C-N 3.27Å; H480-T482 PolarHBondContact O-N 2.86Å; H480-E483 PolarHBondContact O-N 2.78Å; H480-I484 WeakPolarHBondContact ND1-CD1 3.44Å; H480-I484 WeakPolarHBondContact O-CB 3.33Å; H480-I484 WeakPolarHBondContact O-CG1 3.39Å; H480-I484 PolarHBondContact O-N 3.18Å
481	N	64.1	Low	67.4	Low	80 Å²	80	103.7 Å²	103.7	43%	0.428	52%	0.523	S	S	.	.	H	α-helix	trans	-71.3	-16.9	174	-89.4	-83.3	0	0	0	114.1	A477 Q479 R485	A477-N481 WeakPolarHBondContact O-CB 3.31Å; A477-N481 PolarHBondContact O-N 2.87Å; A477-N481 PolarHBondContact O-ND2 3.45Å; Q479-N481 VanDerWaalsContact C-N 3.33Å; Q479-N481 PolarHBondContact O-N 2.77Å; N481-R485 PolarHBondContact O-NE 2.98Å; N481-R485 PolarHBondContact O-NH2 2.89Å
482	T	73.4	Confident	68.6	Low	75 Å²	75	100.9 Å²	100.9	46%	0.46	52%	0.515	S	S	.	.	H	α-helix	trans	-85.2	-40	173.9	-55.6	0	0	0	0	110.1	R478 Q479 H480 R485 L486	R478-T482 PolarHBondContact O-N 3.03Å; R478-T482 VanDerWaalsContact O-N 3.1Å; R478-T482 PolarHBondContact O-OG1 2.7Å; Q479-T482 WeakPolarHBondContact O-CA 3.34Å; Q479-T482 WeakPolarHBondContact O-CB 3.35Å; Q479-T482 PolarHBondContact O-N 2.75Å; H480-T482 VanDerWaalsContact C-N 3.27Å; H480-T482 PolarHBondContact O-N 2.86Å; T482-R485 PolarHBondContact O-N 2.84Å; T482-L486 HydrophobicContact CG2-CD1 4.25Å; T482-L486 WeakPolarHBondContact O-CG 3.28Å; T482-L486 PolarHBondContact O-N 2.8Å
483	E	73.3	Confident	69.7	Low	130 Å²	130	99 Å²	99	61%	0.607	51%	0.511	S	S	*	.	H	α-helix	trans	-65.5	-39.6	173.2	-174.7	163.9	-154.9	0	0	112.9	Q479 H480 R485 L486 S487	Q479-E483 PolarHBondContact O-N 2.75Å; H480-E483 PolarHBondContact O-N 2.78Å; E483-R485 VanDerWaalsContact C-N 3.33Å; E483-R485 PolarHBondContact O-N 3.47Å; E483-L486 PolarHBondContact O-N 3.34Å; E483-S487 WeakPolarHBondContact O-CB 3.23Å; E483-S487 PolarHBondContact O-N 3.11Å; E483-S487 PolarHBondContact O-OG 2.73Å
484	I	73	Confident	70.7	Confident	66 Å²	66	100.7 Å²	100.7	34%	0.338	51%	0.513	S	S	.	.	H	α-helix	trans	-58.6	-44.1	170.6	-74.7	168.7	0	0	0	110.9	H480 S487 I488	H480-I484 WeakPolarHBondContact ND1-CD1 3.44Å; H480-I484 WeakPolarHBondContact O-CB 3.33Å; H480-I484 WeakPolarHBondContact O-CG1 3.39Å; H480-I484 PolarHBondContact O-N 3.18Å; I484-S487 WeakPolarHBondContact CA-OG 3.46Å; I484-S487 PolarHBondContact O-N 2.73Å; I484-S487 PolarHBondContact O-OG 3.03Å; I484-I488 HydrophobicContact CG2-CD1 3.63Å; I484-I488 HydrophobicContact CG2-CG1 4.36Å; I484-I488 WeakPolarHBondContact O-CB 3.43Å; I484-I488 VanDerWaalsContact O-CG1 3.25Å; I484-I488 WeakPolarHBondContact O-CG1 3.32Å; I484-I488 PolarHBondContact O-N 3.12Å
485	R	76.8	Confident	71.8	Confident	166 Å²	166	99.6 Å²	99.6	63%	0.626	51%	0.512	S	S	*	.	H	α-helix	trans	-70.2	-36.3	179.4	-79.9	177.7	-78	-150.6	3.6	113	N481 T482 E483 G489	N481-R485 PolarHBondContact O-NE 2.98Å; N481-R485 PolarHBondContact O-NH2 2.89Å; T482-R485 PolarHBondContact O-N 2.84Å; E483-R485 VanDerWaalsContact C-N 3.33Å; E483-R485 PolarHBondContact O-N 3.47Å; R485-G489 PolarHBondContact O-N 3.25Å
486	L	73.6	Confident	72.7	Confident	107 Å²	107	100.7 Å²	100.7	56%	0.56	52%	0.515	S	S	*	.	H	α-helix	trans	-68.8	-32.9	173.6	-75.4	166.3	0	0	0	113	T482 E483 K490	T482-L486 HydrophobicContact CG2-CD1 4.25Å; T482-L486 WeakPolarHBondContact O-CG 3.28Å; T482-L486 PolarHBondContact O-N 2.8Å; E483-L486 PolarHBondContact O-N 3.34Å; L486-K490 VanDerWaalsContact O-CG 3.32Å; L486-K490 WeakPolarHBondContact O-CG 3.43Å; L486-K490 PolarHBondContact O-N 3.44Å
487	S	74.2	Confident	73.3	Confident	56 Å²	56	101 Å²	101	39%	0.392	52%	0.517	S	S	.	.	H	α-helix	trans	-78.5	-37.4	175.2	50.5	0	0	0	0	112.3	E483 I484 G489 K490 V491	E483-S487 WeakPolarHBondContact O-CB 3.23Å; E483-S487 PolarHBondContact O-N 3.11Å; E483-S487 PolarHBondContact O-OG 2.73Å; I484-S487 WeakPolarHBondContact CA-OG 3.46Å; I484-S487 PolarHBondContact O-N 2.73Å; I484-S487 PolarHBondContact O-OG 3.03Å; S487-G489 VanDerWaalsContact C-N 3.33Å; S487-G489 PolarHBondContact O-N 2.92Å; S487-K490 PolarHBondContact O-N 2.87Å; S487-V491 WeakPolarHBondContact O-CG2 3.38Å; S487-V491 PolarHBondContact O-N 3.13Å
488	I	74.4	Confident	73.9	Confident	105 Å²	105	103.5 Å²	103.5	54%	0.538	52%	0.523	S	S	.	.	H	α-helix	trans	-60.8	-41.2	169.7	-71.8	170.1	0	0	0	111	I484 K490 V491 A492	I484-I488 HydrophobicContact CG2-CD1 3.63Å; I484-I488 HydrophobicContact CG2-CG1 4.36Å; I484-I488 WeakPolarHBondContact O-CB 3.43Å; I484-I488 VanDerWaalsContact O-CG1 3.25Å; I484-I488 WeakPolarHBondContact O-CG1 3.32Å; I484-I488 PolarHBondContact O-N 3.12Å; I488-K490 PolarHBondContact O-N 3.45Å; I488-V491 WeakPolarHBondContact O-CB 3.44Å; I488-V491 PolarHBondContact O-N 2.87Å; I488-V491 VanDerWaalsContact O-N 3.09Å; I488-A492 PolarHBondContact O-N 2.91Å
489	G	77.6	Confident	74.3	Confident	31 Å²	31	97.9 Å²	97.9	32%	0.32	51%	0.513	S	S	.	.	H	α-helix	trans	-56.2	-50.1	172.2	0	0	0	0	0	112.4	R485 S487 V491 A492 D493	R485-G489 PolarHBondContact O-N 3.25Å; S487-G489 VanDerWaalsContact C-N 3.33Å; S487-G489 PolarHBondContact O-N 2.92Å; G489-V491 PolarHBondContact O-N 3.16Å; G489-A492 WeakPolarHBondContact O-CA 3.23Å; G489-A492 WeakPolarHBondContact O-CB 3.42Å; G489-A492 PolarHBondContact O-N 3.43Å; G489-D493 VanDerWaalsContact O-CG 3.32Å; G489-D493 PolarHBondContact O-N 3.42Å
490	K	79.1	Confident	74.3	Confident	138 Å²	138	94.2 Å²	94.2	60%	0.6	50%	0.502	S	S	*	.	H	α-helix	trans	-63.9	-19.6	175.7	-68.2	167	-175.2	174.9	0	114.3	L486 S487 I488 K494	L486-K490 VanDerWaalsContact O-CG 3.32Å; L486-K490 WeakPolarHBondContact O-CG 3.43Å; L486-K490 PolarHBondContact O-N 3.44Å; S487-K490 PolarHBondContact O-N 2.87Å; I488-K490 PolarHBondContact O-N 3.45Å; K490-K494 WeakPolarHBondContact O-CG 3.36Å
491	V	73.1	Confident	74.3	Confident	90 Å²	90	95.3 Å²	95.3	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-82	-41.8	170.7	170.6	0	0	0	0	110.3	S487 I488 G489 K494 V495	S487-V491 WeakPolarHBondContact O-CG2 3.38Å; S487-V491 PolarHBondContact O-N 3.13Å; I488-V491 WeakPolarHBondContact O-CB 3.44Å; I488-V491 PolarHBondContact O-N 2.87Å; I488-V491 VanDerWaalsContact O-N 3.09Å; G489-V491 PolarHBondContact O-N 3.16Å; V491-K494 CarbonylContact O-C 3.57Å; V491-K494 PolarHBondContact O-N 3.08Å; V491-K494 VanDerWaalsContact O-N 3.15Å; V491-V495 HydrophobicContact CG1-CG2 4.38Å; V491-V495 WeakPolarHBondContact O-CG2 3.43Å; V491-V495 PolarHBondContact O-N 3.42Å
492	A	76.1	Confident	74.6	Confident	48 Å²	48	96 Å²	96	40%	0.397	51%	0.508	S	S	.	.	H	α-helix	trans	-58.8	-48.3	173.2	0	0	0	0	0	111.6	I488 G489 K494 V495 D496	I488-A492 PolarHBondContact O-N 2.91Å; G489-A492 WeakPolarHBondContact O-CA 3.23Å; G489-A492 WeakPolarHBondContact O-CB 3.42Å; G489-A492 PolarHBondContact O-N 3.43Å; A492-K494 PolarHBondContact O-N 3.48Å; A492-K494 VanDerWaalsContact O-N 3.11Å; A492-V495 CarbonylContact O-C 3.55Å; A492-V495 WeakPolarHBondContact O-CA 3.36Å; A492-V495 WeakPolarHBondContact O-CB 3.29Å; A492-V495 PolarHBondContact O-N 3.09Å; A492-D496 PolarHBondContact O-N 2.81Å
493	D	77.5	Confident	73.8	Confident	98 Å²	98	96.3 Å²	96.3	52%	0.524	51%	0.513	S	S	.	.	H	α-helix	trans	-53.4	-36.1	174.8	-62.7	-35.1	0	0	0	112.4	G489 Q497	G489-D493 VanDerWaalsContact O-CG 3.32Å; G489-D493 PolarHBondContact O-N 3.42Å; D493-Q497 WeakPolarHBondContact O-CG 3.23Å; D493-Q497 PolarHBondContact O-N 3Å; D493-Q497 VanDerWaalsContact O-N 3.14Å
494	K	79.1	Confident	72.8	Confident	145 Å²	145	96.7 Å²	96.7	63%	0.63	52%	0.52	S	S	*	.	H	α-helix	trans	-80.2	-30.7	177.4	-78.2	-175.3	174.9	-174.4	0	113.3	K490 V491 A492 L498	K490-K494 WeakPolarHBondContact O-CG 3.36Å; V491-K494 CarbonylContact O-C 3.57Å; V491-K494 PolarHBondContact O-N 3.08Å; V491-K494 VanDerWaalsContact O-N 3.15Å; A492-K494 PolarHBondContact O-N 3.48Å; A492-K494 VanDerWaalsContact O-N 3.11Å; K494-L498 WeakPolarHBondContact O-CB 3.45Å; K494-L498 PolarHBondContact O-N 2.9Å
495	V	80.5	Confident	71.8	Confident	83 Å²	83	100.4 Å²	100.4	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-67.7	-40.2	171.9	168.7	0	0	0	0	109.9	V491 A492 L498 A499	V491-V495 HydrophobicContact CG1-CG2 4.38Å; V491-V495 WeakPolarHBondContact O-CG2 3.43Å; V491-V495 PolarHBondContact O-N 3.42Å; A492-V495 CarbonylContact O-C 3.55Å; A492-V495 WeakPolarHBondContact O-CA 3.36Å; A492-V495 WeakPolarHBondContact O-CB 3.29Å; A492-V495 PolarHBondContact O-N 3.09Å; V495-L498 CarbonylContact O-C 3.59Å; V495-L498 WeakPolarHBondContact O-CA 3.47Å; V495-L498 WeakPolarHBondContact O-CB 3.47Å; V495-L498 PolarHBondContact O-N 3.3Å; V495-A499 WeakPolarHBondContact O-CB 3.4Å; V495-A499 PolarHBondContact O-N 3.13Å
496	D	77.1	Confident	70.5	Confident	109 Å²	109	100.6 Å²	100.6	58%	0.583	55%	0.547	S	S	*	.	H	α-helix	trans	-70	-35.3	175.6	-71.4	-24	0	0	0	112.4	A492 L498 A499 S500	A492-D496 PolarHBondContact O-N 2.81Å; D496-L498 PolarHBondContact O-N 3.27Å; D496-A499 PolarHBondContact O-N 3.2Å; D496-S500 PolarHBondContact O-N 3.4Å; D496-S500 PolarHBondContact O-OG 2.94Å
497	Q	74.8	Confident	69.3	Low	122 Å²	122	104.2 Å²	104.2	57%	0.57	56%	0.559	S	S	*	*	H	α-helix	trans	-66.5	-21.1	167.8	-75.5	-176.8	19.9	0	0	113.8	D493 S500 K501	D493-Q497 WeakPolarHBondContact O-CG 3.23Å; D493-Q497 PolarHBondContact O-N 3Å; D493-Q497 VanDerWaalsContact O-N 3.14Å; Q497-S500 WeakPolarHBondContact CA-OG 3.41Å; Q497-S500 PolarHBondContact O-OG 2.79Å; Q497-K501 WeakPolarHBondContact O-CD 3.33Å; Q497-K501 WeakPolarHBondContact O-CG 3.37Å
498	L	74.9	Confident	67.8	Low	103 Å²	103	110.8 Å²	110.8	54%	0.539	58%	0.583	S	S	.	*	H	α-helix	trans	-85.3	-42.1	171.9	-104.2	155.5	0	0	0	111.4	K494 V495 D496 S500 K501 I502	K494-L498 WeakPolarHBondContact O-CB 3.45Å; K494-L498 PolarHBondContact O-N 2.9Å; V495-L498 CarbonylContact O-C 3.59Å; V495-L498 WeakPolarHBondContact O-CA 3.47Å; V495-L498 WeakPolarHBondContact O-CB 3.47Å; V495-L498 PolarHBondContact O-N 3.3Å; D496-L498 PolarHBondContact O-N 3.27Å; L498-S500 PolarHBondContact O-N 2.99Å; L498-K501 CarbonylContact O-C 3.57Å; L498-K501 PolarHBondContact O-N 3.09Å; L498-I502 HydrophobicContact CD2-CD1 4.42Å; L498-I502 VanDerWaalsContact O-CG1 3.3Å; L498-I502 WeakPolarHBondContact O-CG1 3.38Å; L498-I502 PolarHBondContact O-N 2.91Å
499	A	71.5	Confident	65.9	Low	52 Å²	52	109.5 Å²	109.5	43%	0.43	60%	0.595	S	S	.	*	H	α-helix	trans	-61.9	-42.7	177.8	0	0	0	0	0	111.8	V495 D496 I502 S503	V495-A499 WeakPolarHBondContact O-CB 3.4Å; V495-A499 PolarHBondContact O-N 3.13Å; D496-A499 PolarHBondContact O-N 3.2Å; A499-I502 PolarHBondContact O-N 3.21Å; A499-S503 WeakPolarHBondContact O-CB 3.32Å; A499-S503 PolarHBondContact O-N 3.24Å
500	S	68.4	Low	63.7	Low	60 Å²	60	114.3 Å²	114.3	42%	0.42	62%	0.619	S	S	.	*	H	α-helix	trans	-59.8	-45.7	171.6	46.1	0	0	0	0	112.2	D496 Q497 L498 I502 S503 D504	D496-S500 PolarHBondContact O-N 3.4Å; D496-S500 PolarHBondContact O-OG 2.94Å; Q497-S500 WeakPolarHBondContact CA-OG 3.41Å; Q497-S500 PolarHBondContact O-OG 2.79Å; L498-S500 PolarHBondContact O-N 2.99Å; S500-I502 VanDerWaalsContact C-N 3.32Å; S500-I502 PolarHBondContact O-N 2.94Å; S500-S503 PolarHBondContact O-N 3.14Å; S500-D504 PolarHBondContact O-N 2.94Å; S500-D504 VanDerWaalsContact O-N 3.09Å
501	K	67.3	Low	61.5	Low	137 Å²	137	115.8 Å²	115.8	60%	0.596	63%	0.628	S	S	*	*	H	α-helix	trans	-67.3	-27.5	176.7	-74.8	177.9	179.3	174.6	0	114.5	Q497 L498 L505	Q497-K501 WeakPolarHBondContact O-CD 3.33Å; Q497-K501 WeakPolarHBondContact O-CG 3.37Å; L498-K501 CarbonylContact O-C 3.57Å; L498-K501 PolarHBondContact O-N 3.09Å; K501-L505 PolarHBondContact O-N 3.17Å
502	I	70.8	Confident	59.6	Low	94 Å²	94	116.7 Å²	116.7	48%	0.482	63%	0.634	S	S	.	*	H	α-helix	trans	-75.5	-41.8	172.9	-70.1	164.3	0	0	0	109.9	L498 A499 S500 D504 L505 E506	L498-I502 HydrophobicContact CD2-CD1 4.42Å; L498-I502 VanDerWaalsContact O-CG1 3.3Å; L498-I502 WeakPolarHBondContact O-CG1 3.38Å; L498-I502 PolarHBondContact O-N 2.91Å; A499-I502 PolarHBondContact O-N 3.21Å; S500-I502 VanDerWaalsContact C-N 3.32Å; S500-I502 PolarHBondContact O-N 2.94Å; I502-D504 PolarHBondContact O-N 2.98Å; I502-L505 PolarHBondContact O-N 2.88Å; I502-E506 PolarHBondContact O-N 3.06Å
503	S	57.1	Low	57.5	Low	83 Å²	83	120.6 Å²	120.6	58%	0.58	65%	0.652	S	S	*	*	H	α-helix	trans	-61.8	-25	175.1	-173.9	0	0	0	0	113.9	A499 S500	A499-S503 WeakPolarHBondContact O-CB 3.32Å; A499-S503 PolarHBondContact O-N 3.24Å; S500-S503 PolarHBondContact O-N 3.14Å
504	D	51.8	Low	55.3	Low	138 Å²	138	119.1 Å²	119.1	74%	0.738	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-13.6	172.9	-77.1	-26.6	0	0	0	113.6	S500 I502	S500-D504 PolarHBondContact O-N 2.94Å; S500-D504 VanDerWaalsContact O-N 3.09Å; I502-D504 PolarHBondContact O-N 2.98Å
505	L	51.5	Low	53.1	Low	143 Å²	143	118.4 Å²	118.4	75%	0.749	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-26.5	179.1	-88	165.2	0	0	0	113.9	K501 I502 K507	K501-L505 PolarHBondContact O-N 3.17Å; I502-L505 PolarHBondContact O-N 2.88Å; L505-K507 PolarHBondContact O-N 3.39Å
506	E	49.4	Very low	50.8	Low	170 Å²	170	120.3 Å²	120.3	79%	0.794	69%	0.685	S	S	*	*	S	Bend	trans	-79.5	36.3	-178.2	-156.5	167.4	-148.7	0	0	113.5	I502	I502-E506 PolarHBondContact O-N 3.06Å
507	K	50.2	Low	48.7	Very low	184 Å²	184	118.4 Å²	118.4	80%	0.8	69%	0.691	S	S	*	*	S	Bend	trans	-125.7	21.3	-172.5	-140.2	169.1	-170.1	168.6	0	115.1	L505	L505-K507 PolarHBondContact O-N 3.39Å
508	Q	40.8	Very low	46.7	Very low	194 Å²	194	121.2 Å²	121.2	91%	0.907	71%	0.706	S	S	*	*			trans	-145.1	138.3	167.4	-75.6	-176.4	-2.3	0	0	110.9
509	G	35.8	Very low	45.1	Very low	77 Å²	77	121.7 Å²	121.7	79%	0.794	71%	0.714	S	S	*	*			trans	126.8	123.1	173.2	0	0	0	0	0	113.6
510	T	30.4	Very low	44	Very low	132 Å²	132	127.6 Å²	127.6	81%	0.81	73%	0.734	S	S	*	*			trans	-141.1	170.6	-175.3	-34.8	0	0	0	0	109.8
511	Q	34.6	Very low	43.2	Very low	170 Å²	170	131.9 Å²	131.9	79%	0.794	75%	0.748	S	S	*	*			trans	79.1	149.7	159.9	-75.2	-179	7.6	0	0	118.6
512	T	31.8	Very low	42.5	Very low	109 Å²	109	130.6 Å²	130.6	67%	0.669	75%	0.751	S	S	*	*			cis	-175.3	152.9	-33.1	18.5	0	0	0	0	110
513	V	32.6	Very low	41.8	Very low	130 Å²	130	131.1 Å²	131.1	79%	0.788	76%	0.764	S	S	*	*			trans	64.2	156.7	147.6	171.7	0	0	0	0	116.8	V515	V513-V515 HydrophobicContact CG1-CG2 3.92Å
514	G	30.7	Very low	41.8	Very low	67 Å²	67	134 Å²	134	69%	0.691	77%	0.77	S	S	*	*			cis	135.4	-178.2	-4.9	0	0	0	0	0	113.4
515	V	32.3	Very low	42.2	Very low	129 Å²	129	132.3 Å²	132.3	78%	0.782	76%	0.76	S	S	*	*			trans	91.4	102.2	167.2	-168.4	0	0	0	0	120.5	V513	V513-V515 HydrophobicContact CG1-CG2 3.92Å
516	S	34.2	Very low	42.7	Very low	123 Å²	123	129.4 Å²	129.4	86%	0.86	75%	0.748	S	S	*	*				18.4	147.4	129.5	-44.8	0	0	0	0	125.4
517	G	32.6	Very low	43.6	Very low	70 Å²	70	127 Å²	127	72%	0.722	74%	0.736	S	S	*	*				147.2	98.2	121.6	0	0	0	0	0	121.5
518	M	32.2	Very low	44.4	Very low	181 Å²	181	122.8 Å²	122.8	89%	0.892	72%	0.722	S	S	*	*			trans	61	148.6	152.1	-63	-177.5	119.1	0	0	119.1
519	T	41.2	Very low	45.9	Very low	113 Å²	113	118.1 Å²	118.1	69%	0.693	70%	0.703	S	S	*	*			cis	-157.9	151.6	-5.2	8.6	0	0	0	0	110.9
520	M	48.1	Very low	47.6	Very low	175 Å²	175	117.8 Å²	117.8	86%	0.862	69%	0.688	S	S	*	*	S	Bend	trans	59.8	71	153.9	-75.3	-91.2	-71.2	0	0	120.6
521	E	52.7	Low	50	Low	151 Å²	151	117.6 Å²	117.6	71%	0.706	67%	0.673	S	S	*	*			trans	-153.1	22.3	147	-144.9	174.9	-150.6	0	0	114.6	S523	E521-S523 VanDerWaalsContact C-N 3.26Å; E521-S523 PolarHBondContact O-N 3.23Å
522	T	51.5	Low	51.9	Low	109 Å²	109	114.2 Å²	114.2	67%	0.669	66%	0.659	S	S	*	*	H	α-helix	trans	-58.5	-25	-160.5	-41.9	0	0	0	0	116.3	M524 V526	T522-M524 PolarHBondContact O-N 3.02Å; T522-V526 HydrophobicContact CG2-CG2 4.45Å; T522-V526 WeakPolarHBondContact O-CG2 3.47Å
523	S	56.7	Low	54.3	Low	106 Å²	106	112.8 Å²	112.8	74%	0.741	65%	0.65	S	S	*	*	H	α-helix	trans	-70.6	-35	-167	-157.5	0	0	0	0	114.5	E521	E521-S523 VanDerWaalsContact C-N 3.26Å; E521-S523 PolarHBondContact O-N 3.23Å
524	M	56.1	Low	56.6	Low	143 Å²	143	113.5 Å²	113.5	70%	0.704	64%	0.644	S	S	*	*	H	α-helix	trans	-84.3	-34.3	-174.9	-62.6	-167.2	76.5	0	0	113.4	T522 V526 H527	T522-M524 PolarHBondContact O-N 3.02Å; M524-V526 PolarHBondContact O-N 2.95Å; M524-H527 PolarHBondContact O-N 3Å
525	I	61.1	Low	59	Low	103 Å²	103	115.4 Å²	115.4	53%	0.528	64%	0.635	S	S	.	*	H	α-helix	trans	-64.9	-40.9	-178.4	-64.9	175	0	0	0	111	H527 N528 I529	I525-H527 VanDerWaalsContact C-N 3.28Å; I525-H527 PolarHBondContact O-N 2.82Å; I525-N528 PolarHBondContact O-N 3.05Å; I525-I529 HydrophobicContact CG2-CD1 3.68Å; I525-I529 HydrophobicContact CG2-CG1 4.28Å; I525-I529 WeakPolarHBondContact O-CG1 3.34Å; I525-I529 PolarHBondContact O-N 3.44Å; I525-I529 VanDerWaalsContact O-N 3.09Å
526	V	61.9	Low	61.2	Low	82 Å²	82	113.2 Å²	113.2	50%	0.497	62%	0.619	S	S	.	*	H	α-helix	trans	-58.5	-38.4	179.3	174.3	0	0	0	0	112	T522 M524 S530	T522-V526 HydrophobicContact CG2-CG2 4.45Å; T522-V526 WeakPolarHBondContact O-CG2 3.47Å; M524-V526 PolarHBondContact O-N 2.95Å; V526-S530 PolarHBondContact O-N 2.94Å; V526-S530 PolarHBondContact O-OG 2.93Å
527	H	67.5	Low	63.6	Low	118 Å²	118	112.1 Å²	112.1	55%	0.546	60%	0.601	S	S	.	*	H	α-helix	trans	-66.5	-42.1	-179.6	-173.4	82.4	0	0	0	112.5	M524 I525 R531	M524-H527 PolarHBondContact O-N 3Å; I525-H527 VanDerWaalsContact C-N 3.28Å; I525-H527 PolarHBondContact O-N 2.82Å; H527-R531 PolarHBondContact O-N 3.44Å
528	N	67.6	Low	66	Low	96 Å²	96	112.4 Å²	112.4	51%	0.513	59%	0.591	S	S	.	*	H	α-helix	trans	-69.6	-39.6	178.3	-75.3	-20.4	0	0	0	112.1	I525 R531 I532	I525-N528 PolarHBondContact O-N 3.05Å; N528-R531 PolarHBondContact O-N 3.17Å; N528-I532 WeakPolarHBondContact O-CG1 3.45Å; N528-I532 PolarHBondContact O-N 2.98Å; N528-I532 VanDerWaalsContact O-N 3.09Å
529	I	71.6	Confident	68.4	Low	97 Å²	97	108.4 Å²	108.4	50%	0.497	57%	0.573	S	S	.	*	H	α-helix	trans	-61.3	-46.4	175.2	-67.3	175.3	0	0	0	110.5	I525 R531 I532 V533	I525-I529 HydrophobicContact CG2-CD1 3.68Å; I525-I529 HydrophobicContact CG2-CG1 4.28Å; I525-I529 WeakPolarHBondContact O-CG1 3.34Å; I525-I529 PolarHBondContact O-N 3.44Å; I525-I529 VanDerWaalsContact O-N 3.09Å; I529-R531 VanDerWaalsContact C-N 3.31Å; I529-R531 PolarHBondContact O-N 3Å; I529-I532 PolarHBondContact O-N 3.27Å; I529-V533 HydrophobicContact CG2-CG2 4.28Å; I529-V533 WeakPolarHBondContact O-CG2 3.49Å; I529-V533 PolarHBondContact O-N 2.98Å
530	S	71.8	Confident	70.5	Confident	69 Å²	69	110.4 Å²	110.4	48%	0.483	57%	0.572	S	S	.	*	H	α-helix	trans	-58.6	-39.4	178	-69.1	0	0	0	0	113	V526 V533 Q534	V526-S530 PolarHBondContact O-N 2.94Å; V526-S530 PolarHBondContact O-OG 2.93Å; S530-V533 PolarHBondContact O-N 3.49Å; S530-Q534 WeakPolarHBondContact O-CB 3.48Å; S530-Q534 PolarHBondContact O-N 2.89Å
531	R	80.4	Confident	72.4	Confident	129 Å²	129	108.2 Å²	108.2	49%	0.487	56%	0.558	S	S	.	*	H	α-helix	trans	-64.6	-48.5	175.2	-170.5	-174.9	-56.3	-176.6	4.3	111.8	H527 N528 I529 V533 Q534 E535	H527-R531 PolarHBondContact O-N 3.44Å; N528-R531 PolarHBondContact O-N 3.17Å; I529-R531 VanDerWaalsContact C-N 3.31Å; I529-R531 PolarHBondContact O-N 3Å; R531-V533 VanDerWaalsContact C-N 3.27Å; R531-V533 PolarHBondContact O-N 3.38Å; R531-Q534 PolarHBondContact O-N 2.9Å; R531-Q534 VanDerWaalsContact O-N 3.09Å; R531-E535 WeakPolarHBondContact CD-OE1 3.26Å; R531-E535 HydrophobicContact CG-CG 4.41Å; R531-E535 WeakPolarHBondContact CG-OE1 3.33Å; R531-E535 WeakPolarHBondContact O-CG 3.45Å; R531-E535 PolarHBondContact O-N 2.94Å
532	I	76.4	Confident	74.2	Confident	98 Å²	98	105.3 Å²	105.3	50%	0.503	54%	0.544	S	S	.	.	H	α-helix	trans	-61.6	-37.7	179.9	-67.5	168.5	0	0	0	110.8	N528 I529 N536	N528-I532 WeakPolarHBondContact O-CG1 3.45Å; N528-I532 PolarHBondContact O-N 2.98Å; N528-I532 VanDerWaalsContact O-N 3.09Å; I529-I532 PolarHBondContact O-N 3.27Å; I532-N536 WeakPolarHBondContact O-CB 3.46Å; I532-N536 PolarHBondContact O-N 2.61Å; I532-N536 PolarHBondContact O-ND2 3.18Å
533	V	81.2	Confident	75.8	Confident	80 Å²	80	105.5 Å²	105.5	49%	0.485	54%	0.539	S	S	.	.	H	α-helix	trans	-63.9	-45.1	173.4	171	0	0	0	0	111.1	I529 S530 R531 N536 E537	I529-V533 HydrophobicContact CG2-CG2 4.28Å; I529-V533 WeakPolarHBondContact O-CG2 3.49Å; I529-V533 PolarHBondContact O-N 2.98Å; S530-V533 PolarHBondContact O-N 3.49Å; R531-V533 VanDerWaalsContact C-N 3.27Å; R531-V533 PolarHBondContact O-N 3.38Å; V533-N536 PolarHBondContact O-N 2.91Å; V533-E537 PolarHBondContact O-N 3.05Å
534	Q	81.3	Confident	77.4	Confident	144 Å²	144	107.8 Å²	107.8	67%	0.673	54%	0.536	S	S	*	.	H	α-helix	trans	-66.4	-38.4	179.7	-166.2	172.1	19	0	0	112.8	S530 R531 E537 S538	S530-Q534 WeakPolarHBondContact O-CB 3.48Å; S530-Q534 PolarHBondContact O-N 2.89Å; R531-Q534 PolarHBondContact O-N 2.9Å; R531-Q534 VanDerWaalsContact O-N 3.09Å; Q534-E537 PolarHBondContact O-N 3.14Å; Q534-S538 PolarHBondContact O-N 3.42Å
535	E	79.9	Confident	79	Confident	107 Å²	107	106 Å²	106	50%	0.5	53%	0.526	S	S	.	.	H	α-helix	trans	-66.5	-40.2	172.5	-73	171.2	-171.4	0	0	111.5	R531 E537 S538 L539	R531-E535 WeakPolarHBondContact CD-OE1 3.26Å; R531-E535 HydrophobicContact CG-CG 4.41Å; R531-E535 WeakPolarHBondContact CG-OE1 3.33Å; R531-E535 WeakPolarHBondContact O-CG 3.45Å; R531-E535 PolarHBondContact O-N 2.94Å; E535-E537 PolarHBondContact O-N 3.31Å; E535-S538 WeakPolarHBondContact O-CB 3.46Å; E535-S538 PolarHBondContact O-N 3.28Å; E535-S538 VanDerWaalsContact O-N 3.14Å; E535-L539 PolarHBondContact O-N 2.78Å
536	N	78.5	Confident	80.4	Confident	83 Å²	83	105.7 Å²	105.7	44%	0.444	52%	0.521	S	S	.	.	H	α-helix	trans	-66.3	-33.6	173.4	-87.2	-87.1	0	0	0	112.9	I532 V533 S538 K540	I532-N536 WeakPolarHBondContact O-CB 3.46Å; I532-N536 PolarHBondContact O-N 2.61Å; I532-N536 PolarHBondContact O-ND2 3.18Å; V533-N536 PolarHBondContact O-N 2.91Å; N536-S538 VanDerWaalsContact C-N 3.35Å; N536-K540 WeakPolarHBondContact O-CB 3.35Å; N536-K540 VanDerWaalsContact O-CG 3.31Å; N536-K540 WeakPolarHBondContact O-CG 3.16Å; N536-K540 PolarHBondContact O-N 2.91Å
537	E	84.9	Confident	81.7	Confident	101 Å²	101	104.2 Å²	104.2	47%	0.472	51%	0.514	S	S	.	.	H	α-helix	trans	-65.4	-38.2	169.3	-80.4	-158.4	-175.2	0	0	112.4	V533 Q534 E535 K540 K541	V533-E537 PolarHBondContact O-N 3.05Å; Q534-E537 PolarHBondContact O-N 3.14Å; E535-E537 PolarHBondContact O-N 3.31Å; E537-K540 PolarHBondContact O-N 2.82Å; E537-K541 WeakPolarHBondContact O-CD 3.49Å; E537-K541 VanDerWaalsContact O-CG 3.3Å; E537-K541 WeakPolarHBondContact O-CG 3.44Å; E537-K541 PolarHBondContact O-N 2.97Å; E537-K541 IonicContact OE2-NZ 2.95Å; E537-K541 PolarHBondContact OE2-NZ 3.47Å
538	S	82.4	Confident	82.9	Confident	75 Å²	75	101.3 Å²	101.3	52%	0.524	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-47.7	175.5	-161.7	0	0	0	0	111.1	Q534 E535 N536 K540 K541 E542	Q534-S538 PolarHBondContact O-N 3.42Å; E535-S538 WeakPolarHBondContact O-CB 3.46Å; E535-S538 PolarHBondContact O-N 3.28Å; E535-S538 VanDerWaalsContact O-N 3.14Å; N536-S538 VanDerWaalsContact C-N 3.35Å; S538-K540 VanDerWaalsContact C-N 3.34Å; S538-K540 PolarHBondContact O-N 2.91Å; S538-K541 WeakPolarHBondContact O-CB 3.28Å; S538-K541 PolarHBondContact O-N 3.35Å; S538-K541 VanDerWaalsContact O-N 3.16Å; S538-E542 PolarHBondContact O-N 3.07Å
539	L	84	Confident	84.1	Confident	97 Å²	97	103 Å²	103	51%	0.508	51%	0.506	S	S	.	.	H	α-helix	trans	-63.9	-36.2	175.9	-71.1	170.5	0	0	0	112.6	E535 E542 M543	E535-L539 PolarHBondContact O-N 2.78Å; L539-E542 PolarHBondContact O-N 2.76Å; L539-M543 VanDerWaalsContact O-CB 3.31Å; L539-M543 WeakPolarHBondContact O-CB 3.48Å; L539-M543 WeakPolarHBondContact O-CG 3.4Å; L539-M543 PolarHBondContact O-N 3.31Å
540	K	85.8	Confident	85	Confident	155 Å²	155	102.7 Å²	102.7	67%	0.674	50%	0.504	S	S	*	.	H	α-helix	trans	-63.6	-40.2	171.9	-81.3	177.5	177.8	-180	0	112.3	N536 E537 S538 F544	N536-K540 WeakPolarHBondContact O-CB 3.35Å; N536-K540 VanDerWaalsContact O-CG 3.31Å; N536-K540 WeakPolarHBondContact O-CG 3.16Å; N536-K540 PolarHBondContact O-N 2.91Å; E537-K540 PolarHBondContact O-N 2.82Å; S538-K540 VanDerWaalsContact C-N 3.34Å; S538-K540 PolarHBondContact O-N 2.91Å; K540-F544 VanDerWaalsContact O-CB 3.26Å; K540-F544 WeakPolarHBondContact O-CB 3.44Å; K540-F544 PolarHBondContact O-N 2.72Å
541	K	87.4	Confident	86	Confident	130 Å²	130	104.4 Å²	104.4	57%	0.565	51%	0.505	S	S	*	.	H	α-helix	trans	-65.1	-45.2	175.8	-72.3	159.5	-170.6	156.8	0	110.9	E537 S538 F544 E545	E537-K541 WeakPolarHBondContact O-CD 3.49Å; E537-K541 VanDerWaalsContact O-CG 3.3Å; E537-K541 WeakPolarHBondContact O-CG 3.44Å; E537-K541 PolarHBondContact O-N 2.97Å; E537-K541 IonicContact OE2-NZ 2.95Å; E537-K541 PolarHBondContact OE2-NZ 3.47Å; S538-K541 WeakPolarHBondContact O-CB 3.28Å; S538-K541 PolarHBondContact O-N 3.35Å; S538-K541 VanDerWaalsContact O-N 3.16Å; K541-F544 PolarHBondContact O-N 2.94Å; K541-E545 WeakPolarHBondContact O-CB 3.24Å; K541-E545 PolarHBondContact O-N 2.78Å
542	E	89.8	Confident	86.6	Confident	89 Å²	89	104.7 Å²	104.7	42%	0.416	51%	0.512	S	S	.	.	H	α-helix	trans	-64.5	-42.3	176.8	-164.9	-166.6	151.2	0	0	112.5	S538 L539 E545 K546	S538-E542 PolarHBondContact O-N 3.07Å; L539-E542 PolarHBondContact O-N 2.76Å; E542-E545 PolarHBondContact O-N 3.26Å; E542-K546 HydrophobicContact CG-CD 4.37Å; E542-K546 WeakPolarHBondContact O-CB 3.42Å; E542-K546 WeakPolarHBondContact O-CG 3.22Å; E542-K546 PolarHBondContact O-N 3.06Å; E542-K546 VanDerWaalsContact OE1-CE 3.29Å; E542-K546 WeakPolarHBondContact OE1-CE 3.34Å; E542-K546 IonicContact OE1-NZ 3.05Å; E542-K546 PolarHBondContact OE1-NZ 2.82Å
543	M	84.6	Confident	87.3	Confident	113 Å²	113	105.7 Å²	105.7	56%	0.557	51%	0.514	S	S	*	.	H	α-helix	trans	-65.2	-38.7	174.3	-78.3	-61.4	-58.8	0	0	112.1	L539 K546 S547	L539-M543 VanDerWaalsContact O-CB 3.31Å; L539-M543 WeakPolarHBondContact O-CB 3.48Å; L539-M543 WeakPolarHBondContact O-CG 3.4Å; L539-M543 PolarHBondContact O-N 3.31Å; M543-K546 PolarHBondContact O-N 2.9Å; M543-S547 WeakPolarHBondContact O-CB 3.16Å; M543-S547 PolarHBondContact O-N 3.4Å; M543-S547 PolarHBondContact O-OG 3.38Å; M543-S547 VanDerWaalsContact O-OG 3.09Å
544	F	90.3	Very high	87.7	Confident	154 Å²	154	106.3 Å²	106.3	68%	0.675	52%	0.515	S	S	*	.	H	α-helix	trans	-66.2	-40.9	174.5	-176.5	-96.5	0	0	0	111.8	K540 K541 S547 S548	K540-F544 VanDerWaalsContact O-CB 3.26Å; K540-F544 WeakPolarHBondContact O-CB 3.44Å; K540-F544 PolarHBondContact O-N 2.72Å; K541-F544 PolarHBondContact O-N 2.94Å; F544-S547 PolarHBondContact O-N 2.7Å; F544-S548 VanDerWaalsContact O-CB 3.22Å; F544-S548 WeakPolarHBondContact O-CB 3.42Å; F544-S548 PolarHBondContact O-N 3.17Å
545	E	91.3	Very high	88.3	Confident	105 Å²	105	107.4 Å²	107.4	49%	0.491	51%	0.513	S	S	.	.	H	α-helix	trans	-64.4	-41.1	175	-165.1	-168.7	139.6	0	0	111.7	K541 E542 S548 R549	K541-E545 WeakPolarHBondContact O-CB 3.24Å; K541-E545 PolarHBondContact O-N 2.78Å; E542-E545 PolarHBondContact O-N 3.26Å; E545-S548 PolarHBondContact O-N 2.81Å; E545-R549 WeakPolarHBondContact O-CB 3.35Å; E545-R549 PolarHBondContact O-N 3.44Å; E545-R549 IonicContact OE1-CZ 2.59Å; E545-R549 IonicContact OE1-NH1 2.68Å; E545-R549 IonicContact OE1-NH2 3.58Å; E545-R549 PolarHBondContact OE1-NH2 2.87Å
546	K	90.4	Very high	89	Confident	97 Å²	97	109.2 Å²	109.2	42%	0.422	52%	0.519	S	S	.	.	H	α-helix	trans	-63.5	-46.4	173.6	-77.1	168.6	170	172.2	0	112	E542 M543 R549 I550	E542-K546 HydrophobicContact CG-CD 4.37Å; E542-K546 WeakPolarHBondContact O-CB 3.42Å; E542-K546 WeakPolarHBondContact O-CG 3.22Å; E542-K546 PolarHBondContact O-N 3.06Å; E542-K546 VanDerWaalsContact OE1-CE 3.29Å; E542-K546 WeakPolarHBondContact OE1-CE 3.34Å; E542-K546 IonicContact OE1-NZ 3.05Å; E542-K546 PolarHBondContact OE1-NZ 2.82Å; M543-K546 PolarHBondContact O-N 2.9Å; K546-R549 PolarHBondContact O-N 3.47Å; K546-I550 WeakPolarHBondContact O-CG1 3.48Å; K546-I550 PolarHBondContact O-N 3.42Å
547	S	88.7	Confident	89.6	Confident	51 Å²	51	109.6 Å²	109.6	36%	0.357	52%	0.52	S	S	.	.	H	α-helix	trans	-62.6	-43.6	175.6	-66.9	0	0	0	0	112	M543 F544 R549 I550 E551	M543-S547 WeakPolarHBondContact O-CB 3.16Å; M543-S547 PolarHBondContact O-N 3.4Å; M543-S547 PolarHBondContact O-OG 3.38Å; M543-S547 VanDerWaalsContact O-OG 3.09Å; F544-S547 PolarHBondContact O-N 2.7Å; S547-R549 VanDerWaalsContact C-N 3.33Å; S547-R549 PolarHBondContact O-N 3.31Å; S547-I550 CarbonylContact O-C 3.59Å; S547-I550 WeakPolarHBondContact O-CB 3.34Å; S547-I550 PolarHBondContact O-N 2.71Å; S547-I550 VanDerWaalsContact O-N 3.11Å; S547-E551 PolarHBondContact O-N 2.73Å
548	S	92.9	Very high	90	Very high	57 Å²	57	106 Å²	106	40%	0.399	51%	0.51	S	S	.	.	H	α-helix	trans	-58.7	-43.3	174.5	-179.1	0	0	0	0	111.8	F544 E545 I550 E551 E552	F544-S548 VanDerWaalsContact O-CB 3.22Å; F544-S548 WeakPolarHBondContact O-CB 3.42Å; F544-S548 PolarHBondContact O-N 3.17Å; E545-S548 PolarHBondContact O-N 2.81Å; S548-I550 VanDerWaalsContact C-N 3.33Å; S548-I550 PolarHBondContact O-N 2.79Å; S548-E551 PolarHBondContact O-N 2.94Å; S548-E552 WeakPolarHBondContact O-CB 3.43Å; S548-E552 PolarHBondContact O-N 2.65Å
549	R	93.4	Very high	90.5	Very high	132 Å²	132	107.3 Å²	107.3	50%	0.498	51%	0.511	S	S	.	.	H	α-helix	trans	-66.1	-32.8	175.1	-168.9	169.9	-66.5	142.2	11.5	112.9	E545 K546 S547 Q553	E545-R549 WeakPolarHBondContact O-CB 3.35Å; E545-R549 PolarHBondContact O-N 3.44Å; E545-R549 IonicContact OE1-CZ 2.59Å; E545-R549 IonicContact OE1-NH1 2.68Å; E545-R549 IonicContact OE1-NH2 3.58Å; E545-R549 PolarHBondContact OE1-NH2 2.87Å; K546-R549 PolarHBondContact O-N 3.47Å; S547-R549 VanDerWaalsContact C-N 3.33Å; S547-R549 PolarHBondContact O-N 3.31Å; R549-Q553 WeakPolarHBondContact O-CB 3.29Å; R549-Q553 WeakPolarHBondContact O-CG 3.47Å; R549-Q553 PolarHBondContact O-N 2.81Å
550	I	90.7	Very high	90.9	Very high	90 Å²	90	106.9 Å²	106.9	46%	0.462	51%	0.509	S	S	.	.	H	α-helix	trans	-71.4	-41.3	172.5	-69.9	164.4	0	0	0	110.8	K546 S547 S548 E552 Q553 N554	K546-I550 WeakPolarHBondContact O-CG1 3.48Å; K546-I550 PolarHBondContact O-N 3.42Å; S547-I550 CarbonylContact O-C 3.59Å; S547-I550 WeakPolarHBondContact O-CB 3.34Å; S547-I550 PolarHBondContact O-N 2.71Å; S547-I550 VanDerWaalsContact O-N 3.11Å; S548-I550 VanDerWaalsContact C-N 3.33Å; S548-I550 PolarHBondContact O-N 2.79Å; I550-E552 VanDerWaalsContact C-N 3.34Å; I550-E552 PolarHBondContact O-N 3.27Å; I550-Q553 PolarHBondContact O-N 2.63Å; I550-N554 WeakPolarHBondContact O-CB 3.27Å; I550-N554 PolarHBondContact O-N 2.95Å; I550-N554 PolarHBondContact O-ND2 3.02Å
551	E	90.8	Very high	91.3	Very high	106 Å²	106	104.6 Å²	104.6	50%	0.495	50%	0.503	S	S	.	.	H	α-helix	trans	-61.1	-41.6	172.9	-75.8	-179.5	-148.1	0	0	111.7	S547 S548 N554 R555	S547-E551 PolarHBondContact O-N 2.73Å; S548-E551 PolarHBondContact O-N 2.94Å; E551-N554 PolarHBondContact O-N 3.39Å; E551-R555 WeakPolarHBondContact O-CG 3.49Å; E551-R555 PolarHBondContact O-N 2.71Å
552	E	93.3	Very high	91.5	Very high	135 Å²	135	102.9 Å²	102.9	63%	0.631	50%	0.5	S	S	*	.	H	α-helix	trans	-68.8	-37.9	176.9	-170.9	164.2	-126	0	0	112.4	S548 I550 R555 K556	S548-E552 WeakPolarHBondContact O-CB 3.43Å; S548-E552 PolarHBondContact O-N 2.65Å; I550-E552 VanDerWaalsContact C-N 3.34Å; I550-E552 PolarHBondContact O-N 3.27Å; E552-R555 PolarHBondContact O-N 3.47Å; E552-K556 WeakPolarHBondContact O-CB 3.47Å; E552-K556 PolarHBondContact O-N 3.19Å
553	Q	92.2	Very high	91.7	Very high	118 Å²	118	102.9 Å²	102.9	55%	0.551	50%	0.5	S	S	*	.	H	α-helix	trans	-63.7	-41.8	169.1	-77.6	-177.9	-18.6	0	0	112.1	R549 I550 K556 I557	R549-Q553 WeakPolarHBondContact O-CB 3.29Å; R549-Q553 WeakPolarHBondContact O-CG 3.47Å; R549-Q553 PolarHBondContact O-N 2.81Å; I550-Q553 PolarHBondContact O-N 2.63Å; Q553-K556 PolarHBondContact O-N 2.92Å; Q553-I557 VanDerWaalsContact O-CG1 3.3Å; Q553-I557 WeakPolarHBondContact O-CG1 3.49Å; Q553-I557 PolarHBondContact O-N 3.37Å
554	N	89.8	Confident	91.9	Very high	93 Å²	93	102.5 Å²	102.5	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-67	-37.6	177.4	-74	-23	0	0	0	112.3	I550 E551 I557 G558	I550-N554 WeakPolarHBondContact O-CB 3.27Å; I550-N554 PolarHBondContact O-N 2.95Å; I550-N554 PolarHBondContact O-ND2 3.02Å; E551-N554 PolarHBondContact O-N 3.39Å; N554-I557 PolarHBondContact O-N 3.42Å; N554-G558 PolarHBondContact O-N 2.98Å
555	R	92.5	Very high	92.1	Very high	168 Å²	168	99.1 Å²	99.1	63%	0.634	49%	0.487	S	S	*	.	H	α-helix	trans	-59.1	-50	169.1	-73.8	177.9	-164.4	179.4	8.2	110.6	E551 E552 I557 G558 D559	E551-R555 WeakPolarHBondContact O-CG 3.49Å; E551-R555 PolarHBondContact O-N 2.71Å; E552-R555 PolarHBondContact O-N 3.47Å; R555-I557 VanDerWaalsContact C-N 3.29Å; R555-I557 PolarHBondContact O-N 3.29Å; R555-G558 CarbonylContact O-C 3.59Å; R555-G558 WeakPolarHBondContact O-CA 3.32Å; R555-G558 PolarHBondContact O-N 3.04Å; R555-D559 PolarHBondContact O-N 2.93Å
556	K	95.3	Very high	92.2	Very high	144 Å²	144	100.3 Å²	100.3	63%	0.626	49%	0.49	S	S	*	.	H	α-helix	trans	-62	-34.3	178.9	-169.1	169.5	-175	171.9	0	113.2	E552 Q553 L560	E552-K556 WeakPolarHBondContact O-CB 3.47Å; E552-K556 PolarHBondContact O-N 3.19Å; Q553-K556 PolarHBondContact O-N 2.92Å; K556-L560 HydrophobicContact CG-CD1 4.45Å; K556-L560 WeakPolarHBondContact O-CB 3.36Å; K556-L560 VanDerWaalsContact O-CG 3.25Å; K556-L560 WeakPolarHBondContact O-CG 3.25Å; K556-L560 PolarHBondContact O-N 3.47Å
557	I	91.1	Very high	92.3	Very high	91 Å²	91	102 Å²	102	47%	0.467	50%	0.495	S	S	.	.	H	α-helix	trans	-66.2	-45.4	170.8	-70.4	163	0	0	0	110.3	Q553 N554 R555 D559 L560 I561	Q553-I557 VanDerWaalsContact O-CG1 3.3Å; Q553-I557 WeakPolarHBondContact O-CG1 3.49Å; Q553-I557 PolarHBondContact O-N 3.37Å; N554-I557 PolarHBondContact O-N 3.42Å; R555-I557 VanDerWaalsContact C-N 3.29Å; R555-I557 PolarHBondContact O-N 3.29Å; I557-D559 PolarHBondContact O-N 3.17Å; I557-L560 PolarHBondContact O-N 3.42Å; I557-I561 HydrophobicContact CG2-CD1 3.82Å; I557-I561 VanDerWaalsContact O-CG1 3.29Å; I557-I561 WeakPolarHBondContact O-CG1 3.49Å; I557-I561 PolarHBondContact O-N 3.37Å
558	G	92.7	Very high	92.5	Very high	26 Å²	26	105.3 Å²	105.3	27%	0.268	51%	0.506	S	S	.	.	H	α-helix	trans	-59.1	-43.1	174.1	0	0	0	0	0	113.2	N554 R555 I561 N562	N554-G558 PolarHBondContact O-N 2.98Å; R555-G558 CarbonylContact O-C 3.59Å; R555-G558 WeakPolarHBondContact O-CA 3.32Å; R555-G558 PolarHBondContact O-N 3.04Å; G558-I561 PolarHBondContact O-N 2.9Å; G558-N562 WeakPolarHBondContact O-CB 3.17Å; G558-N562 VanDerWaalsContact O-CG 3.28Å; G558-N562 PolarHBondContact O-N 3.22Å; G558-N562 PolarHBondContact O-ND2 2.92Å; G558-N562 VanDerWaalsContact O-ND2 3.09Å
559	D	93.4	Very high	92.4	Very high	102 Å²	102	107.4 Å²	107.4	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-64	-42	175.7	-67.2	-35.7	0	0	0	111.8	R555 I557 N562 Q563	R555-D559 PolarHBondContact O-N 2.93Å; I557-D559 PolarHBondContact O-N 3.17Å; D559-N562 PolarHBondContact O-N 3.14Å; D559-Q563 VanDerWaalsContact O-CB 3.29Å; D559-Q563 WeakPolarHBondContact O-CB 3.46Å; D559-Q563 PolarHBondContact O-N 3.21Å
560	L	93.4	Very high	92.4	Very high	88 Å²	88	106.1 Å²	106.1	46%	0.461	51%	0.509	S	S	.	.	H	α-helix	trans	-66.8	-33.8	174.8	-74.7	168.6	0	0	0	112.8	K556 I557 N564	K556-L560 HydrophobicContact CG-CD1 4.45Å; K556-L560 WeakPolarHBondContact O-CB 3.36Å; K556-L560 VanDerWaalsContact O-CG 3.25Å; K556-L560 WeakPolarHBondContact O-CG 3.25Å; K556-L560 PolarHBondContact O-N 3.47Å; I557-L560 PolarHBondContact O-N 3.42Å; L560-N564 WeakPolarHBondContact O-CB 3.32Å; L560-N564 PolarHBondContact O-N 2.96Å; L560-N564 PolarHBondContact O-ND2 2.8Å
561	I	92.3	Very high	92.4	Very high	107 Å²	107	105.6 Å²	105.6	55%	0.549	51%	0.513	S	S	.	.	H	α-helix	trans	-68	-49	172.3	-70.6	165.6	0	0	0	109.8	I557 G558 Q563 N564 Q565	I557-I561 HydrophobicContact CG2-CD1 3.82Å; I557-I561 VanDerWaalsContact O-CG1 3.29Å; I557-I561 WeakPolarHBondContact O-CG1 3.49Å; I557-I561 PolarHBondContact O-N 3.37Å; G558-I561 PolarHBondContact O-N 2.9Å; I561-Q563 VanDerWaalsContact C-N 3.25Å; I561-Q563 PolarHBondContact O-N 3.42Å; I561-N564 PolarHBondContact O-N 2.96Å; I561-Q565 WeakPolarHBondContact O-CB 3.45Å; I561-Q565 PolarHBondContact O-N 2.98Å
562	N	93.1	Very high	92.5	Very high	94 Å²	94	105.9 Å²	105.9	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-59.5	-34.7	175.8	-74.7	-39.6	0	0	0	112.5	G558 D559 K566	G558-N562 WeakPolarHBondContact O-CB 3.17Å; G558-N562 VanDerWaalsContact O-CG 3.28Å; G558-N562 PolarHBondContact O-N 3.22Å; G558-N562 PolarHBondContact O-ND2 2.92Å; G558-N562 VanDerWaalsContact O-ND2 3.09Å; D559-N562 PolarHBondContact O-N 3.14Å; N562-K566 WeakPolarHBondContact O-CG 3.27Å; N562-K566 PolarHBondContact O-N 3.47Å; N562-K566 VanDerWaalsContact O-N 3.07Å
563	Q	93.2	Very high	92.6	Very high	90 Å²	90	104.8 Å²	104.8	42%	0.421	51%	0.51	S	S	.	.	H	α-helix	trans	-74.3	-40.6	176.4	-170.2	175.9	-1.9	0	0	112	D559 I561 K566 Y567	D559-Q563 VanDerWaalsContact O-CB 3.29Å; D559-Q563 WeakPolarHBondContact O-CB 3.46Å; D559-Q563 PolarHBondContact O-N 3.21Å; I561-Q563 VanDerWaalsContact C-N 3.25Å; I561-Q563 PolarHBondContact O-N 3.42Å; Q563-K566 PolarHBondContact O-N 2.88Å; Q563-Y567 HydrophobicContact CG-CD2 4.05Å; Q563-Y567 HydrophobicContact CG-CE2 3.57Å; Q563-Y567 PolarHBondContact NE2-OH 2.88Å; Q563-Y567 VanDerWaalsContact NE2-OH 3.1Å; Q563-Y567 VanDerWaalsContact O-CD2 3.23Å; Q563-Y567 WeakPolarHBondContact O-CD2 3.28Å; Q563-Y567 PolarHBondContact O-N 2.96Å
564	N	90.1	Very high	92.6	Very high	105 Å²	105	104.7 Å²	104.7	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-63.5	-41.1	171.7	-87.2	-82.3	0	0	0	112	L560 I561 K566 Y567 M568	L560-N564 WeakPolarHBondContact O-CB 3.32Å; L560-N564 PolarHBondContact O-N 2.96Å; L560-N564 PolarHBondContact O-ND2 2.8Å; I561-N564 PolarHBondContact O-N 2.96Å; N564-K566 PolarHBondContact O-N 2.73Å; N564-Y567 PolarHBondContact O-N 3.24Å; N564-M568 WeakPolarHBondContact O-CB 3.42Å; N564-M568 PolarHBondContact O-N 2.83Å
565	Q	93.5	Very high	92.8	Very high	83 Å²	83	105.8 Å²	105.8	39%	0.388	52%	0.518	S	S	.	.	H	α-helix	trans	-58.4	-47.4	175	-176.2	61.1	29.4	0	0	110.7	I561 Y567 M568 E569	I561-Q565 WeakPolarHBondContact O-CB 3.45Å; I561-Q565 PolarHBondContact O-N 2.98Å; Q565-Y567 PolarHBondContact O-N 2.9Å; Q565-M568 WeakPolarHBondContact O-CB 3.3Å; Q565-M568 PolarHBondContact O-N 2.84Å; Q565-E569 WeakPolarHBondContact CG-OE1 3.31Å; Q565-E569 PolarHBondContact NE2-OE1 3.48Å; Q565-E569 WeakPolarHBondContact O-CB 3.44Å; Q565-E569 VanDerWaalsContact O-CG 3.32Å; Q565-E569 WeakPolarHBondContact O-CG 3.38Å; Q565-E569 PolarHBondContact O-N 3.13Å
566	K	93.3	Very high	92.7	Very high	130 Å²	130	102.6 Å²	102.6	57%	0.565	51%	0.51	S	S	*	.	H	α-helix	trans	-62.4	-38.3	174.4	-75.3	172.9	-179.5	177.5	0	113.5	N562 Q563 N564 E569 Q570	N562-K566 WeakPolarHBondContact O-CG 3.27Å; N562-K566 PolarHBondContact O-N 3.47Å; N562-K566 VanDerWaalsContact O-N 3.07Å; Q563-K566 PolarHBondContact O-N 2.88Å; N564-K566 PolarHBondContact O-N 2.73Å; K566-E569 PolarHBondContact O-N 3.39Å; K566-Q570 WeakPolarHBondContact O-CB 3.49Å; K566-Q570 VanDerWaalsContact O-CG 3.23Å; K566-Q570 WeakPolarHBondContact O-CG 3.5Å; K566-Q570 PolarHBondContact O-N 2.84Å
567	Y	92.6	Very high	92.7	Very high	133 Å²	133	100.9 Å²	100.9	52%	0.522	50%	0.504	S	S	.	.	H	α-helix	trans	-68.1	-36	174.1	-73	-48.3	0	0	0	112.3	Q563 N564 Q565 S571	Q563-Y567 HydrophobicContact CG-CD2 4.05Å; Q563-Y567 HydrophobicContact CG-CE2 3.57Å; Q563-Y567 PolarHBondContact NE2-OH 2.88Å; Q563-Y567 VanDerWaalsContact NE2-OH 3.1Å; Q563-Y567 VanDerWaalsContact O-CD2 3.23Å; Q563-Y567 WeakPolarHBondContact O-CD2 3.28Å; Q563-Y567 PolarHBondContact O-N 2.96Å; N564-Y567 PolarHBondContact O-N 3.24Å; Q565-Y567 PolarHBondContact O-N 2.9Å; Y567-S571 VanDerWaalsContact O-CB 3.24Å; Y567-S571 WeakPolarHBondContact O-CB 3.18Å; Y567-S571 PolarHBondContact O-N 2.73Å
568	M	92.8	Very high	92.8	Very high	120 Å²	120	104.9 Å²	104.9	59%	0.591	51%	0.513	S	S	*	.	H	α-helix	trans	-64.5	-46.8	173.4	-168.3	-165.4	-52.1	0	0	111	N564 Q565 S571 H572	N564-M568 WeakPolarHBondContact O-CB 3.42Å; N564-M568 PolarHBondContact O-N 2.83Å; Q565-M568 WeakPolarHBondContact O-CB 3.3Å; Q565-M568 PolarHBondContact O-N 2.84Å; M568-S571 PolarHBondContact O-N 2.81Å; M568-H572 WeakPolarHBondContact O-CB 3.48Å; M568-H572 PolarHBondContact O-N 2.87Å
569	E	91.9	Very high	92.9	Very high	100 Å²	100	108.5 Å²	108.5	47%	0.467	53%	0.527	S	S	.	.	H	α-helix	trans	-63	-44.1	177.4	-72.7	164.5	-178.7	0	0	111.8	Q565 K566 H572 Q573	Q565-E569 WeakPolarHBondContact CG-OE1 3.31Å; Q565-E569 PolarHBondContact NE2-OE1 3.48Å; Q565-E569 WeakPolarHBondContact O-CB 3.44Å; Q565-E569 VanDerWaalsContact O-CG 3.32Å; Q565-E569 WeakPolarHBondContact O-CG 3.38Å; Q565-E569 PolarHBondContact O-N 3.13Å; K566-E569 PolarHBondContact O-N 3.39Å; E569-H572 PolarHBondContact O-N 2.79Å; E569-Q573 VanDerWaalsContact O-CB 3.32Å; E569-Q573 WeakPolarHBondContact O-CB 3.27Å; E569-Q573 PolarHBondContact O-N 3.18Å
570	Q	92.3	Very high	92.9	Very high	106 Å²	106	108.2 Å²	108.2	50%	0.495	53%	0.525	S	S	.	.	H	α-helix	trans	-62.8	-41.6	173.2	-75.2	174.6	-7.3	0	0	111.9	K566 Q573 L574	K566-Q570 WeakPolarHBondContact O-CB 3.49Å; K566-Q570 VanDerWaalsContact O-CG 3.23Å; K566-Q570 WeakPolarHBondContact O-CG 3.5Å; K566-Q570 PolarHBondContact O-N 2.84Å; Q570-Q573 PolarHBondContact O-N 3.04Å; Q570-L574 WeakPolarHBondContact O-CB 3.49Å; Q570-L574 VanDerWaalsContact O-CG 3.29Å; Q570-L574 WeakPolarHBondContact O-CG 3.16Å; Q570-L574 PolarHBondContact O-N 2.85Å
571	S	91.2	Very high	93	Very high	78 Å²	78	107.6 Å²	107.6	55%	0.545	53%	0.528	S	S	.	.	H	α-helix	trans	-67.4	-35.5	176.6	-171.2	0	0	0	0	112.4	Y567 M568 L575	Y567-S571 VanDerWaalsContact O-CB 3.24Å; Y567-S571 WeakPolarHBondContact O-CB 3.18Å; Y567-S571 PolarHBondContact O-N 2.73Å; M568-S571 PolarHBondContact O-N 2.81Å; S571-L575 WeakPolarHBondContact O-CB 3.4Å; S571-L575 PolarHBondContact O-N 3Å; S571-L575 VanDerWaalsContact O-N 3.07Å
572	H	93.6	Very high	93	Very high	113 Å²	113	107.5 Å²	107.5	52%	0.523	53%	0.528	S	S	.	.	H	α-helix	trans	-67.5	-48	174	-172.1	-78.9	0	0	0	110.6	M568 E569 L574 L575 E576	M568-H572 WeakPolarHBondContact O-CB 3.48Å; M568-H572 PolarHBondContact O-N 2.87Å; E569-H572 PolarHBondContact O-N 2.79Å; H572-L574 VanDerWaalsContact C-N 3.32Å; H572-L574 PolarHBondContact O-N 2.94Å; H572-L575 CarbonylContact O-C 3.53Å; H572-L575 WeakPolarHBondContact O-CA 3.29Å; H572-L575 WeakPolarHBondContact O-CB 3.33Å; H572-L575 PolarHBondContact O-N 3.39Å; H572-L575 VanDerWaalsContact O-N 3.07Å; H572-E576 IonicContact CE1-OE2 2.71Å; H572-E576 IonicContact ND1-OE2 3.16Å; H572-E576 WeakPolarHBondContact O-CB 3.37Å; H572-E576 PolarHBondContact O-N 2.87Å
573	Q	94.1	Very high	93.1	Very high	112 Å²	112	106 Å²	106	52%	0.523	52%	0.517	S	S	.	.	H	α-helix	trans	-63.1	-36.4	179.4	-173.3	170.1	58.4	0	0	112.4	E569 Q570 Q577	E569-Q573 VanDerWaalsContact O-CB 3.32Å; E569-Q573 WeakPolarHBondContact O-CB 3.27Å; E569-Q573 PolarHBondContact O-N 3.18Å; Q570-Q573 PolarHBondContact O-N 3.04Å; Q573-Q577 WeakPolarHBondContact O-CB 3.31Å; Q573-Q577 VanDerWaalsContact O-CG 3.22Å; Q573-Q577 WeakPolarHBondContact O-CG 3.36Å; Q573-Q577 PolarHBondContact O-N 2.98Å
574	L	92.7	Very high	93.1	Very high	115 Å²	115	104.7 Å²	104.7	60%	0.602	52%	0.518	S	S	*	.	H	α-helix	trans	-69.1	-35.1	172.1	-74.4	169.9	0	0	0	112.7	Q570 H572 R578	Q570-L574 WeakPolarHBondContact O-CB 3.49Å; Q570-L574 VanDerWaalsContact O-CG 3.29Å; Q570-L574 WeakPolarHBondContact O-CG 3.16Å; Q570-L574 PolarHBondContact O-N 2.85Å; H572-L574 VanDerWaalsContact C-N 3.32Å; H572-L574 PolarHBondContact O-N 2.94Å; L574-R578 VanDerWaalsContact O-CB 3.24Å; L574-R578 WeakPolarHBondContact O-CB 3.39Å; L574-R578 PolarHBondContact O-N 3.29Å
575	L	92.8	Very high	93.4	Very high	117 Å²	117	102.4 Å²	102.4	61%	0.613	51%	0.51	S	S	*	.	H	α-helix	trans	-68.5	-40.6	174.1	-178.2	64.1	0	0	0	111.4	S571 H572 R578 N579	S571-L575 WeakPolarHBondContact O-CB 3.4Å; S571-L575 PolarHBondContact O-N 3Å; S571-L575 VanDerWaalsContact O-N 3.07Å; H572-L575 CarbonylContact O-C 3.53Å; H572-L575 WeakPolarHBondContact O-CA 3.29Å; H572-L575 WeakPolarHBondContact O-CB 3.33Å; H572-L575 PolarHBondContact O-N 3.39Å; H572-L575 VanDerWaalsContact O-N 3.07Å; L575-R578 PolarHBondContact O-N 2.81Å; L575-N579 WeakPolarHBondContact O-CB 3.39Å; L575-N579 PolarHBondContact O-N 2.76Å
576	E	92.4	Very high	93.4	Very high	100 Å²	100	101.8 Å²	101.8	47%	0.467	52%	0.515	S	S	.	.	H	α-helix	trans	-65.1	-51.2	177.1	-170.1	164.7	-143.2	0	0	111.1	H572 R578 N579 D580	H572-E576 IonicContact CE1-OE2 2.71Å; H572-E576 IonicContact ND1-OE2 3.16Å; H572-E576 WeakPolarHBondContact O-CB 3.37Å; H572-E576 PolarHBondContact O-N 2.87Å; E576-R578 VanDerWaalsContact C-N 3.27Å; E576-R578 PolarHBondContact O-N 3.07Å; E576-N579 WeakPolarHBondContact O-CA 3.43Å; E576-N579 WeakPolarHBondContact O-CB 3.23Å; E576-N579 PolarHBondContact O-N 2.64Å; E576-D580 PolarHBondContact O-N 2.83Å
577	Q	94	Very high	93.4	Very high	109 Å²	109	100 Å²	100	51%	0.509	51%	0.508	S	S	.	.	H	α-helix	trans	-56.5	-38.9	171.8	-74.2	172.5	6.1	0	0	112.6	Q573 S581	Q573-Q577 WeakPolarHBondContact O-CB 3.31Å; Q573-Q577 VanDerWaalsContact O-CG 3.22Å; Q573-Q577 WeakPolarHBondContact O-CG 3.36Å; Q573-Q577 PolarHBondContact O-N 2.98Å; Q577-S581 WeakPolarHBondContact O-CB 3.4Å; Q577-S581 PolarHBondContact O-N 3Å
578	R	94.5	Very high	93.5	Very high	174 Å²	174	100 Å²	100	66%	0.657	51%	0.513	S	S	*	.	H	α-helix	trans	-68.5	-36.6	174.9	-177.6	174.6	-179.8	151.4	2.6	111.9	L574 L575 E576 L582	L574-R578 VanDerWaalsContact O-CB 3.24Å; L574-R578 WeakPolarHBondContact O-CB 3.39Å; L574-R578 PolarHBondContact O-N 3.29Å; L575-R578 PolarHBondContact O-N 2.81Å; E576-R578 VanDerWaalsContact C-N 3.27Å; E576-R578 PolarHBondContact O-N 3.07Å; R578-L582 HydrophobicContact CG-CD1 4.08Å; R578-L582 WeakPolarHBondContact O-CB 3.48Å; R578-L582 VanDerWaalsContact O-CG 3.23Å; R578-L582 WeakPolarHBondContact O-CG 3.44Å; R578-L582 PolarHBondContact O-N 2.9Å
579	N	93.5	Very high	93.5	Very high	103 Å²	103	97.8 Å²	97.8	55%	0.551	50%	0.504	S	S	*	.	H	α-helix	trans	-68	-46.6	177.2	-163.8	9.2	0	0	0	110.7	L575 E576 S581 L582 K583	L575-N579 WeakPolarHBondContact O-CB 3.39Å; L575-N579 PolarHBondContact O-N 2.76Å; E576-N579 WeakPolarHBondContact O-CA 3.43Å; E576-N579 WeakPolarHBondContact O-CB 3.23Å; E576-N579 PolarHBondContact O-N 2.64Å; N579-S581 VanDerWaalsContact C-N 3.35Å; N579-S581 PolarHBondContact O-N 2.81Å; N579-L582 CarbonylContact O-C 3.49Å; N579-L582 PolarHBondContact O-N 2.9Å; N579-K583 VanDerWaalsContact O-CB 3.3Å; N579-K583 WeakPolarHBondContact O-CB 3.5Å; N579-K583 PolarHBondContact O-N 3.37Å
580	D	93.6	Very high	93.7	Very high	95 Å²	95	97.6 Å²	97.6	51%	0.508	50%	0.503	S	S	.	.	H	α-helix	trans	-63.3	-38.8	175.1	-72.6	-25.7	0	0	0	112.3	E576 K583 S584	E576-D580 PolarHBondContact O-N 2.83Å; D580-K583 PolarHBondContact O-N 2.74Å; D580-S584 WeakPolarHBondContact O-CB 3.32Å; D580-S584 PolarHBondContact O-N 3.37Å; D580-S584 PolarHBondContact O-OG 3.12Å
581	S	94.8	Very high	93.8	Very high	76 Å²	76	95.3 Å²	95.3	53%	0.531	50%	0.502	S	S	.	.	H	α-helix	trans	-65.8	-39	173.1	-179.6	0	0	0	0	112.3	Q577 N579 S584 S585	Q577-S581 WeakPolarHBondContact O-CB 3.4Å; Q577-S581 PolarHBondContact O-N 3Å; N579-S581 VanDerWaalsContact C-N 3.35Å; N579-S581 PolarHBondContact O-N 2.81Å; S581-S584 PolarHBondContact O-OG 2.84Å; S581-S585 WeakPolarHBondContact O-CB 3.42Å; S581-S585 PolarHBondContact O-N 2.81Å
582	L	93.9	Very high	94	Very high	104 Å²	104	97.7 Å²	97.7	55%	0.545	50%	0.499	S	S	.	.	H	α-helix	trans	-68.9	-40.1	173.4	-76.4	168.1	0	0	0	112	R578 N579 S586	R578-L582 HydrophobicContact CG-CD1 4.08Å; R578-L582 WeakPolarHBondContact O-CB 3.48Å; R578-L582 VanDerWaalsContact O-CG 3.23Å; R578-L582 WeakPolarHBondContact O-CG 3.44Å; R578-L582 PolarHBondContact O-N 2.9Å; N579-L582 CarbonylContact O-C 3.49Å; N579-L582 PolarHBondContact O-N 2.9Å; L582-S586 VanDerWaalsContact O-CB 3.27Å; L582-S586 WeakPolarHBondContact O-CB 3.35Å; L582-S586 PolarHBondContact O-N 2.91Å
583	K	94.4	Very high	94	Very high	62 Å²	62	97.3 Å²	97.3	27%	0.27	50%	0.5	S	S	.	.	H	α-helix	trans	-64.7	-53.3	178.5	-174.2	174.7	-175	-70.5	0	111.1	N579 D580 S585 S586 E587	N579-K583 VanDerWaalsContact O-CB 3.3Å; N579-K583 WeakPolarHBondContact O-CB 3.5Å; N579-K583 PolarHBondContact O-N 3.37Å; D580-K583 PolarHBondContact O-N 2.74Å; K583-S585 VanDerWaalsContact C-N 3.34Å; K583-S585 PolarHBondContact O-N 2.79Å; K583-S586 WeakPolarHBondContact O-CB 3.3Å; K583-S586 PolarHBondContact O-N 3.06Å; K583-S586 VanDerWaalsContact O-N 3.12Å; K583-E587 WeakPolarHBondContact CG-OE1 3.46Å; K583-E587 IonicContact NZ-OE1 3.7Å; K583-E587 PolarHBondContact NZ-OE1 3.26Å; K583-E587 WeakPolarHBondContact O-CB 3.39Å; K583-E587 WeakPolarHBondContact O-CG 3.4Å; K583-E587 PolarHBondContact O-N 3.45Å
584	S	93.9	Very high	94.1	Very high	63 Å²	63	96.7 Å²	96.7	44%	0.441	50%	0.5	S	S	.	.	H	α-helix	trans	-63.5	-35.7	176.2	54.4	0	0	0	0	112.9	D580 S581 H588	D580-S584 WeakPolarHBondContact O-CB 3.32Å; D580-S584 PolarHBondContact O-N 3.37Å; D580-S584 PolarHBondContact O-OG 3.12Å; S581-S584 PolarHBondContact O-OG 2.84Å; S584-H588 VanDerWaalsContact O-CB 3.28Å; S584-H588 WeakPolarHBondContact O-CB 3.43Å; S584-H588 PolarHBondContact O-N 3.41Å
585	S	94.8	Very high	94.2	Very high	57 Å²	57	96.2 Å²	96.2	40%	0.399	50%	0.495	S	S	.	.	H	α-helix	trans	-64.7	-42.3	170.8	-176.9	0	0	0	0	111.8	S581 K583 H588 N589	S581-S585 WeakPolarHBondContact O-CB 3.42Å; S581-S585 PolarHBondContact O-N 2.81Å; K583-S585 VanDerWaalsContact C-N 3.34Å; K583-S585 PolarHBondContact O-N 2.79Å; S585-H588 PolarHBondContact O-N 2.81Å; S585-N589 WeakPolarHBondContact O-CB 3.24Å; S585-N589 PolarHBondContact O-N 3.36Å; S585-N589 PolarHBondContact O-ND2 2.86Å
586	S	93.7	Very high	94.2	Very high	70 Å²	70	93.4 Å²	93.4	49%	0.49	49%	0.488	S	S	.	.	H	α-helix	trans	-64.2	-45.5	175.8	-169.2	0	0	0	0	111.9	L582 K583 N589 Q590	L582-S586 VanDerWaalsContact O-CB 3.27Å; L582-S586 WeakPolarHBondContact O-CB 3.35Å; L582-S586 PolarHBondContact O-N 2.91Å; K583-S586 WeakPolarHBondContact O-CB 3.3Å; K583-S586 PolarHBondContact O-N 3.06Å; K583-S586 VanDerWaalsContact O-N 3.12Å; S586-N589 PolarHBondContact O-N 2.97Å; S586-Q590 WeakPolarHBondContact O-CB 3.43Å; S586-Q590 PolarHBondContact O-N 2.82Å
587	E	93.9	Very high	94.3	Very high	92 Å²	92	94 Å²	94	43%	0.43	49%	0.491	S	S	.	.	H	α-helix	trans	-60.6	-44.1	175.6	-72.2	165.4	178.3	0	0	111	K583 Q590 A591	K583-E587 WeakPolarHBondContact CG-OE1 3.46Å; K583-E587 IonicContact NZ-OE1 3.7Å; K583-E587 PolarHBondContact NZ-OE1 3.26Å; K583-E587 WeakPolarHBondContact O-CB 3.39Å; K583-E587 WeakPolarHBondContact O-CG 3.4Å; K583-E587 PolarHBondContact O-N 3.45Å; E587-Q590 PolarHBondContact O-N 3.4Å; E587-A591 WeakPolarHBondContact O-CB 3.28Å; E587-A591 PolarHBondContact O-N 3.39Å
588	H	94.5	Very high	94.3	Very high	133 Å²	133	94.8 Å²	94.8	62%	0.616	50%	0.495	S	S	*	.	H	α-helix	trans	-66.6	-37.3	175.2	-175.6	67.2	0	0	0	113	S584 S585 R592	S584-H588 VanDerWaalsContact O-CB 3.28Å; S584-H588 WeakPolarHBondContact O-CB 3.43Å; S584-H588 PolarHBondContact O-N 3.41Å; S585-H588 PolarHBondContact O-N 2.81Å; H588-R592 PolarHBondContact CD2-NE 2.97Å; H588-R592 PolarHBondContact NE2-NE 3.46Å; H588-R592 PolarHBondContact NE2-NH1 3.27Å; H588-R592 WeakPolarHBondContact O-CB 3.26Å; H588-R592 WeakPolarHBondContact O-CG 3.22Å; H588-R592 PolarHBondContact O-N 3.26Å
589	N	93.9	Very high	94.3	Very high	74 Å²	74	89 Å²	89	40%	0.396	48%	0.477	S	S	.	.	H	α-helix	trans	-66.7	-41.7	174	-72	-34.1	0	0	0	111.7	S585 S586 R592 L593	S585-N589 WeakPolarHBondContact O-CB 3.24Å; S585-N589 PolarHBondContact O-N 3.36Å; S585-N589 PolarHBondContact O-ND2 2.86Å; S586-N589 PolarHBondContact O-N 2.97Å; N589-R592 PolarHBondContact O-N 2.88Å; N589-R592 PolarHBondContact OD1-NH2 2.95Å; N589-L593 PolarHBondContact O-N 3.3Å
590	Q	94.8	Very high	94.4	Very high	97 Å²	97	91 Å²	91	45%	0.453	48%	0.481	S	S	.	.	H	α-helix	trans	-66.1	-42.4	176.8	-172.8	174.2	10.3	0	0	111.8	S586 E587 R592 L593 L594	S586-Q590 WeakPolarHBondContact O-CB 3.43Å; S586-Q590 PolarHBondContact O-N 2.82Å; E587-Q590 PolarHBondContact O-N 3.4Å; Q590-R592 PolarHBondContact O-N 2.87Å; Q590-L593 PolarHBondContact O-N 2.93Å; Q590-L594 WeakPolarHBondContact O-CB 3.43Å; Q590-L594 PolarHBondContact O-N 3.04Å
591	A	93.8	Very high	94.6	Very high	57 Å²	57	90.8 Å²	90.8	47%	0.471	48%	0.482	S	S	.	.	H	α-helix	trans	-61.7	-41.8	174.4	0	0	0	0	0	112	E587 L594 Q595	E587-A591 WeakPolarHBondContact O-CB 3.28Å; E587-A591 PolarHBondContact O-N 3.39Å; A591-L594 PolarHBondContact O-N 3.28Å; A591-Q595 WeakPolarHBondContact O-CB 3.49Å; A591-Q595 PolarHBondContact O-N 2.91Å
592	R	95.3	Very high	94.7	Very high	129 Å²	129	92.8 Å²	92.8	49%	0.487	48%	0.478	S	S	.	.	H	α-helix	trans	-66.8	-36.2	175	-73.8	-170.3	-63.2	-176.3	2	113.2	H588 N589 Q590 A596	H588-R592 PolarHBondContact CD2-NE 2.97Å; H588-R592 PolarHBondContact NE2-NE 3.46Å; H588-R592 PolarHBondContact NE2-NH1 3.27Å; H588-R592 WeakPolarHBondContact O-CB 3.26Å; H588-R592 WeakPolarHBondContact O-CG 3.22Å; H588-R592 PolarHBondContact O-N 3.26Å; N589-R592 PolarHBondContact O-N 2.88Å; N589-R592 PolarHBondContact OD1-NH2 2.95Å; Q590-R592 PolarHBondContact O-N 2.87Å; R592-A596 WeakPolarHBondContact O-CB 3.43Å; R592-A596 PolarHBondContact O-N 3.46Å
593	L	95.2	Very high	94.8	Very high	104 Å²	104	92.5 Å²	92.5	55%	0.545	48%	0.477	S	S	.	.	H	α-helix	trans	-64.5	-49.3	174.3	179.7	62.4	0	0	0	110.9	N589 Q590 Q595 A596 E597	N589-L593 PolarHBondContact O-N 3.3Å; Q590-L593 PolarHBondContact O-N 2.93Å; L593-Q595 VanDerWaalsContact C-N 3.35Å; L593-Q595 PolarHBondContact O-N 3.43Å; L593-A596 PolarHBondContact O-N 3.2Å; L593-A596 VanDerWaalsContact O-N 3.12Å; L593-E597 WeakPolarHBondContact O-CG 3.29Å; L593-E597 PolarHBondContact O-N 3.44Å
594	L	95	Very high	94.9	Very high	100 Å²	100	93.2 Å²	93.2	52%	0.524	49%	0.487	S	S	.	.	H	α-helix	trans	-63.2	-40.6	-179.7	-162.3	158.8	0	0	0	111.4	Q590 A591 E597 Q598	Q590-L594 WeakPolarHBondContact O-CB 3.43Å; Q590-L594 PolarHBondContact O-N 3.04Å; A591-L594 PolarHBondContact O-N 3.28Å; L594-E597 PolarHBondContact O-N 3Å; L594-Q598 WeakPolarHBondContact O-CB 3.21Å; L594-Q598 PolarHBondContact O-N 3.49Å
595	Q	94.6	Very high	95	Very high	104 Å²	104	96.8 Å²	96.8	49%	0.486	50%	0.496	S	S	.	.	H	α-helix	trans	-59.8	-45.8	171.4	-177.8	62.3	48.9	0	0	111.8	A591 L593 E597 Q598 D599	A591-Q595 WeakPolarHBondContact O-CB 3.49Å; A591-Q595 PolarHBondContact O-N 2.91Å; L593-Q595 VanDerWaalsContact C-N 3.35Å; L593-Q595 PolarHBondContact O-N 3.43Å; Q595-E597 VanDerWaalsContact C-N 3.35Å; Q595-E597 PolarHBondContact O-N 3.43Å; Q595-Q598 PolarHBondContact O-N 2.87Å; Q595-D599 PolarHBondContact NE2-OD2 2.88Å; Q595-D599 WeakPolarHBondContact O-CB 3.28Å; Q595-D599 PolarHBondContact O-N 3.2Å
596	A	93.9	Very high	95.1	Very high	58 Å²	58	98.5 Å²	98.5	48%	0.479	50%	0.498	S	S	.	.	H	α-helix	trans	-66.9	-33.5	178.7	0	0	0	0	0	113	R592 L593 K600	R592-A596 WeakPolarHBondContact O-CB 3.43Å; R592-A596 PolarHBondContact O-N 3.46Å; L593-A596 PolarHBondContact O-N 3.2Å; L593-A596 VanDerWaalsContact O-N 3.12Å; A596-K600 VanDerWaalsContact O-CB 3.23Å; A596-K600 WeakPolarHBondContact O-CB 3.33Å; A596-K600 PolarHBondContact O-N 2.97Å
597	E	93.8	Very high	95.2	Very high	113 Å²	113	100.4 Å²	100.4	53%	0.528	50%	0.502	S	S	.	.	H	α-helix	trans	-66.6	-41.9	171.2	-72.6	-177.8	153.3	0	0	111.5	L593 L594 Q595 K600 V601	L593-E597 WeakPolarHBondContact O-CG 3.29Å; L593-E597 PolarHBondContact O-N 3.44Å; L594-E597 PolarHBondContact O-N 3Å; Q595-E597 VanDerWaalsContact C-N 3.35Å; Q595-E597 PolarHBondContact O-N 3.43Å; E597-K600 WeakPolarHBondContact O-CB 3.28Å; E597-K600 PolarHBondContact O-N 3.29Å; E597-V601 WeakPolarHBondContact O-CG2 3.47Å; E597-V601 PolarHBondContact O-N 2.95Å
598	Q	94.7	Very high	95.3	Very high	125 Å²	125	98.9 Å²	98.9	58%	0.584	51%	0.505	S	S	*	.	H	α-helix	trans	-71	-39.5	178.8	-168.8	159.6	1.3	0	0	112.5	L594 Q595 V601 R602	L594-Q598 WeakPolarHBondContact O-CB 3.21Å; L594-Q598 PolarHBondContact O-N 3.49Å; Q595-Q598 PolarHBondContact O-N 2.87Å; Q598-V601 PolarHBondContact O-N 3.47Å; Q598-R602 WeakPolarHBondContact O-CB 3.19Å; Q598-R602 PolarHBondContact O-N 2.63Å
599	D	95.1	Very high	95.4	Very high	52 Å²	52	95.1 Å²	95.1	28%	0.278	49%	0.494	S	S	.	.	H	α-helix	trans	-66.2	-36	171.8	-79	-44.1	0	0	0	112	Q595 R602 L603	Q595-D599 PolarHBondContact NE2-OD2 2.88Å; Q595-D599 WeakPolarHBondContact O-CB 3.28Å; Q595-D599 PolarHBondContact O-N 3.2Å; D599-R602 PolarHBondContact O-N 2.96Å; D599-R602 IonicContact OD1-NH1 3.59Å; D599-R602 PolarHBondContact OD1-NH1 3.28Å; D599-L603 WeakPolarHBondContact O-CB 3.4Å; D599-L603 VanDerWaalsContact O-CG 3.28Å; D599-L603 WeakPolarHBondContact O-CG 3Å; D599-L603 PolarHBondContact O-N 3.27Å
600	K	95.8	Very high	95.5	Very high	147 Å²	147	94.6 Å²	94.6	64%	0.639	50%	0.496	S	S	*	.	H	α-helix	trans	-60	-47.2	170.9	173.8	-169.4	171.1	-168.5	0	111.2	A596 E597 L603 T604	A596-K600 VanDerWaalsContact O-CB 3.23Å; A596-K600 WeakPolarHBondContact O-CB 3.33Å; A596-K600 PolarHBondContact O-N 2.97Å; E597-K600 WeakPolarHBondContact O-CB 3.28Å; E597-K600 PolarHBondContact O-N 3.29Å; K600-L603 PolarHBondContact O-N 2.89Å; K600-T604 PolarHBondContact O-N 3.33Å; K600-T604 PolarHBondContact O-OG1 3.46Å
601	V	96.2	Very high	95.7	Very high	89 Å²	89	93.7 Å²	93.7	54%	0.539	50%	0.497	S	S	.	.	H	α-helix	trans	-59.3	-48	176.5	170.2	0	0	0	0	110.3	E597 Q598 L603 T604 E605	E597-V601 WeakPolarHBondContact O-CG2 3.47Å; E597-V601 PolarHBondContact O-N 2.95Å; Q598-V601 PolarHBondContact O-N 3.47Å; V601-L603 PolarHBondContact O-N 2.94Å; V601-T604 WeakPolarHBondContact CA-OG1 3.31Å; V601-T604 PolarHBondContact O-N 2.94Å; V601-T604 VanDerWaalsContact O-N 3.12Å; V601-T604 PolarHBondContact O-OG1 3.35Å; V601-E605 PolarHBondContact O-N 3.44Å
602	R	96.6	Very high	95.8	Very high	119 Å²	119	93.8 Å²	93.8	45%	0.449	50%	0.498	S	S	.	.	H	α-helix	trans	-58	-45.1	178.2	-149.7	-166.4	85.6	-132.2	-0.3	112.2	Q598 D599 T604 E605 E606	Q598-R602 WeakPolarHBondContact O-CB 3.19Å; Q598-R602 PolarHBondContact O-N 2.63Å; D599-R602 PolarHBondContact O-N 2.96Å; D599-R602 IonicContact OD1-NH1 3.59Å; D599-R602 PolarHBondContact OD1-NH1 3.28Å; R602-T604 PolarHBondContact O-N 3.01Å; R602-E605 PolarHBondContact O-N 3.23Å; R602-E606 IonicContact CZ-OE1 3.87Å; R602-E606 IonicContact NE-OE1 2.68Å; R602-E606 PolarHBondContact NE-OE1 3.36Å; R602-E606 IonicContact NH2-OE1 2.65Å; R602-E606 PolarHBondContact NH2-OE1 3.22Å; R602-E606 IonicContact NH2-OE2 3.43Å; R602-E606 WeakPolarHBondContact O-CB 3.46Å; R602-E606 WeakPolarHBondContact O-CG 3.5Å; R602-E606 PolarHBondContact O-N 3.41Å
603	L	96.6	Very high	95.9	Very high	97 Å²	97	94.7 Å²	94.7	51%	0.508	50%	0.501	S	S	.	.	H	α-helix	trans	-66.2	-34	176.6	-73.1	169.1	0	0	0	112.8	D599 K600 V601 L607	D599-L603 WeakPolarHBondContact O-CB 3.4Å; D599-L603 VanDerWaalsContact O-CG 3.28Å; D599-L603 WeakPolarHBondContact O-CG 3Å; D599-L603 PolarHBondContact O-N 3.27Å; K600-L603 PolarHBondContact O-N 2.89Å; V601-L603 PolarHBondContact O-N 2.94Å; L603-L607 VanDerWaalsContact O-CB 3.24Å; L603-L607 WeakPolarHBondContact O-CB 3.39Å; L603-L607 PolarHBondContact O-N 2.81Å
604	T	96.1	Very high	96	Very high	78 Å²	78	93.9 Å²	93.9	48%	0.479	50%	0.501	S	S	.	.	H	α-helix	trans	-70.5	-32.4	172.9	50.7	0	0	0	0	113	K600 V601 R602 A608	K600-T604 PolarHBondContact O-N 3.33Å; K600-T604 PolarHBondContact O-OG1 3.46Å; V601-T604 WeakPolarHBondContact CA-OG1 3.31Å; V601-T604 PolarHBondContact O-N 2.94Å; V601-T604 VanDerWaalsContact O-N 3.12Å; V601-T604 PolarHBondContact O-OG1 3.35Å; R602-T604 PolarHBondContact O-N 3.01Å; T604-A608 WeakPolarHBondContact O-CB 3.33Å; T604-A608 PolarHBondContact O-N 3.11Å
605	E	96.3	Very high	96.1	Very high	137 Å²	137	92.6 Å²	92.6	64%	0.64	50%	0.5	S	S	*	.	H	α-helix	trans	-71.8	-44.5	173.7	-173.4	176.5	-167.8	0	0	111.6	V601 R602 L607 A608 S609	V601-E605 PolarHBondContact O-N 3.44Å; R602-E605 PolarHBondContact O-N 3.23Å; E605-L607 VanDerWaalsContact C-N 3.32Å; E605-L607 PolarHBondContact O-N 3.46Å; E605-A608 PolarHBondContact O-N 2.91Å; E605-S609 VanDerWaalsContact O-CB 3.28Å; E605-S609 WeakPolarHBondContact O-CB 3.45Å; E605-S609 PolarHBondContact O-N 2.65Å
606	E	96.9	Very high	96.2	Very high	93 Å²	93	92.8 Å²	92.8	44%	0.435	50%	0.501	S	S	.	.	H	α-helix	trans	-57.4	-44.3	171.7	-74.6	174.3	-155.4	0	0	111.3	R602 S609 S610	R602-E606 IonicContact CZ-OE1 3.87Å; R602-E606 IonicContact NE-OE1 2.68Å; R602-E606 PolarHBondContact NE-OE1 3.36Å; R602-E606 IonicContact NH2-OE1 2.65Å; R602-E606 PolarHBondContact NH2-OE1 3.22Å; R602-E606 IonicContact NH2-OE2 3.43Å; R602-E606 WeakPolarHBondContact O-CB 3.46Å; R602-E606 WeakPolarHBondContact O-CG 3.5Å; R602-E606 PolarHBondContact O-N 3.41Å; E606-S609 PolarHBondContact O-N 3.01Å; E606-S610 WeakPolarHBondContact O-CB 3.46Å; E606-S610 PolarHBondContact O-N 2.93Å
607	L	96	Very high	96.4	Very high	111 Å²	111	95.1 Å²	95.1	58%	0.581	51%	0.505	S	S	*	.	H	α-helix	trans	-63.5	-48.7	176.2	-179.6	61.2	0	0	0	111.8	L603 E605 S609 S610 T611	L603-L607 VanDerWaalsContact O-CB 3.24Å; L603-L607 WeakPolarHBondContact O-CB 3.39Å; L603-L607 PolarHBondContact O-N 2.81Å; E605-L607 VanDerWaalsContact C-N 3.32Å; E605-L607 PolarHBondContact O-N 3.46Å; L607-S609 VanDerWaalsContact C-N 3.33Å; L607-S609 PolarHBondContact O-N 2.86Å; L607-S610 WeakPolarHBondContact O-CB 3.3Å; L607-S610 PolarHBondContact O-N 3.45Å; L607-S610 VanDerWaalsContact O-N 3.11Å; L607-T611 PolarHBondContact O-N 3.32Å; L607-T611 PolarHBondContact O-OG1 2.83Å
608	A	96.3	Very high	96.5	Very high	60 Å²	60	96.1 Å²	96.1	50%	0.496	51%	0.509	S	S	.	.	H	α-helix	trans	-61	-41.2	177.7	0	0	0	0	0	112	T604 E605 S610 T611 A612	T604-A608 WeakPolarHBondContact O-CB 3.33Å; T604-A608 PolarHBondContact O-N 3.11Å; E605-A608 PolarHBondContact O-N 2.91Å; A608-S610 VanDerWaalsContact C-N 3.3Å; A608-S610 PolarHBondContact O-N 3.09Å; A608-T611 PolarHBondContact O-N 2.87Å; A608-A612 WeakPolarHBondContact O-CB 3.12Å; A608-A612 PolarHBondContact O-N 3.13Å
609	S	97	Very high	96.6	Very high	53 Å²	53	96 Å²	96	37%	0.371	51%	0.512	S	S	.	.	H	α-helix	trans	-64.5	-32.8	174.7	-163.7	0	0	0	0	112.6	E605 E606 L607 R613	E605-S609 VanDerWaalsContact O-CB 3.28Å; E605-S609 WeakPolarHBondContact O-CB 3.45Å; E605-S609 PolarHBondContact O-N 2.65Å; E606-S609 PolarHBondContact O-N 3.01Å; L607-S609 VanDerWaalsContact C-N 3.33Å; L607-S609 PolarHBondContact O-N 2.86Å; S609-R613 WeakPolarHBondContact O-CG 3.23Å; S609-R613 PolarHBondContact O-N 3.08Å; S609-R613 PolarHBondContact O-NH1 3.41Å; S609-R613 PolarHBondContact OG-NH1 3.48Å
610	S	96.6	Very high	96.8	Very high	64 Å²	64	97.5 Å²	97.5	45%	0.448	52%	0.517	S	S	.	.	H	α-helix	trans	-71.7	-49.8	174	-168.1	0	0	0	0	111.5	E606 L607 A608 A612 R613 V614	E606-S610 WeakPolarHBondContact O-CB 3.46Å; E606-S610 PolarHBondContact O-N 2.93Å; L607-S610 WeakPolarHBondContact O-CB 3.3Å; L607-S610 PolarHBondContact O-N 3.45Å; L607-S610 VanDerWaalsContact O-N 3.11Å; A608-S610 VanDerWaalsContact C-N 3.3Å; A608-S610 PolarHBondContact O-N 3.09Å; S610-A612 VanDerWaalsContact C-N 3.3Å; S610-A612 PolarHBondContact O-N 2.81Å; S610-R613 PolarHBondContact O-N 3.28Å; S610-R613 VanDerWaalsContact O-N 3.12Å; S610-V614 WeakPolarHBondContact O-CG2 3.48Å; S610-V614 PolarHBondContact O-N 3.5Å
611	T	97.4	Very high	96.8	Very high	78 Å²	78	93 Å²	93	48%	0.479	51%	0.508	S	S	.	.	H	α-helix	trans	-59.1	-39.2	176.2	-58.7	0	0	0	0	112.2	L607 A608 V614 S615	L607-T611 PolarHBondContact O-N 3.32Å; L607-T611 PolarHBondContact O-OG1 2.83Å; A608-T611 PolarHBondContact O-N 2.87Å; T611-V614 PolarHBondContact O-N 3.08Å; T611-S615 WeakPolarHBondContact O-CB 3.3Å; T611-S615 PolarHBondContact O-N 2.92Å; T611-S615 PolarHBondContact O-OG 2.97Å
612	A	96.4	Very high	96.8	Very high	58 Å²	58	90.7 Å²	90.7	48%	0.479	50%	0.496	S	S	.	.	H	α-helix	trans	-62.1	-44.7	174.3	0	0	0	0	0	112.1	A608 S610 S615 Q616	A608-A612 WeakPolarHBondContact O-CB 3.12Å; A608-A612 PolarHBondContact O-N 3.13Å; S610-A612 VanDerWaalsContact C-N 3.3Å; S610-A612 PolarHBondContact O-N 2.81Å; A612-S615 PolarHBondContact O-N 2.97Å; A612-Q616 PolarHBondContact O-N 3.26Å
613	R	97.6	Very high	96.8	Very high	148 Å²	148	86.7 Å²	86.7	56%	0.558	49%	0.488	S	S	*	.	H	α-helix	trans	-63.1	-41.7	174.2	-77.2	-174.3	-172.2	79.9	-3.5	112.7	S609 S610 S615 Q616 L617	S609-R613 WeakPolarHBondContact O-CG 3.23Å; S609-R613 PolarHBondContact O-N 3.08Å; S609-R613 PolarHBondContact O-NH1 3.41Å; S609-R613 PolarHBondContact OG-NH1 3.48Å; S610-R613 PolarHBondContact O-N 3.28Å; S610-R613 VanDerWaalsContact O-N 3.12Å; R613-S615 VanDerWaalsContact C-N 3.31Å; R613-S615 PolarHBondContact O-N 3.26Å; R613-Q616 PolarHBondContact O-N 3.14Å; R613-L617 WeakPolarHBondContact O-CB 3.46Å; R613-L617 VanDerWaalsContact O-CG 3.31Å; R613-L617 WeakPolarHBondContact O-CG 3.31Å; R613-L617 PolarHBondContact O-N 2.91Å
614	V	97.4	Very high	96.8	Very high	88 Å²	88	88 Å²	88	53%	0.533	49%	0.491	S	S	.	.	H	α-helix	trans	-62.1	-41.6	176.3	172.7	0	0	0	0	110.6	S610 T611 L617 Q618	S610-V614 WeakPolarHBondContact O-CG2 3.48Å; S610-V614 PolarHBondContact O-N 3.5Å; T611-V614 PolarHBondContact O-N 3.08Å; V614-L617 PolarHBondContact O-N 3.36Å; V614-Q618 VanDerWaalsContact O-CB 3.32Å; V614-Q618 WeakPolarHBondContact O-CB 3.38Å; V614-Q618 PolarHBondContact O-N 3.5Å
615	S	96.8	Very high	96.9	Very high	72 Å²	72	91.3 Å²	91.3	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-65.3	-40.8	176.7	-54.4	0	0	0	0	112.3	T611 A612 R613 Q618 L619	T611-S615 WeakPolarHBondContact O-CB 3.3Å; T611-S615 PolarHBondContact O-N 2.92Å; T611-S615 PolarHBondContact O-OG 2.97Å; A612-S615 PolarHBondContact O-N 2.97Å; R613-S615 VanDerWaalsContact C-N 3.31Å; R613-S615 PolarHBondContact O-N 3.26Å; S615-Q618 PolarHBondContact O-N 3.34Å; S615-L619 PolarHBondContact O-N 2.87Å
616	Q	97.6	Very high	96.9	Very high	109 Å²	109	91.4 Å²	91.4	51%	0.509	50%	0.501	S	S	.	.	H	α-helix	trans	-62.8	-49.7	173.8	179.1	-179.2	-11.8	0	0	111.5	A612 R613 Q618 L619 E620	A612-Q616 PolarHBondContact O-N 3.26Å; R613-Q616 PolarHBondContact O-N 3.14Å; Q616-Q618 VanDerWaalsContact C-N 3.28Å; Q616-Q618 PolarHBondContact O-N 2.98Å; Q616-L619 WeakPolarHBondContact O-CB 3.35Å; Q616-L619 PolarHBondContact O-N 3.13Å; Q616-L619 VanDerWaalsContact O-N 3.12Å; Q616-E620 HydrophobicContact CG-CG 4.46Å; Q616-E620 WeakPolarHBondContact CG-OE1 3.46Å; Q616-E620 PolarHBondContact NE2-OE1 2.94Å; Q616-E620 WeakPolarHBondContact O-CG 3.5Å; Q616-E620 PolarHBondContact O-N 3.43Å
617	L	96.7	Very high	96.9	Very high	107 Å²	107	93.1 Å²	93.1	56%	0.56	51%	0.507	S	S	*	.	H	α-helix	trans	-63.7	-33.9	179.5	-71.2	169.5	0	0	0	112.1	R613 V614 A621	R613-L617 WeakPolarHBondContact O-CB 3.46Å; R613-L617 VanDerWaalsContact O-CG 3.31Å; R613-L617 WeakPolarHBondContact O-CG 3.31Å; R613-L617 PolarHBondContact O-N 2.91Å; V614-L617 PolarHBondContact O-N 3.36Å; L617-A621 VanDerWaalsContact O-CB 3.23Å; L617-A621 WeakPolarHBondContact O-CB 3.46Å; L617-A621 PolarHBondContact O-N 3.47Å
618	Q	97	Very high	96.9	Very high	134 Å²	134	90.6 Å²	90.6	63%	0.626	50%	0.502	S	S	*	.	H	α-helix	trans	-65.8	-40.8	173.1	-174.6	63	35.5	0	0	111.8	V614 S615 Q616 S622	V614-Q618 VanDerWaalsContact O-CB 3.32Å; V614-Q618 WeakPolarHBondContact O-CB 3.38Å; V614-Q618 PolarHBondContact O-N 3.5Å; S615-Q618 PolarHBondContact O-N 3.34Å; Q616-Q618 VanDerWaalsContact C-N 3.28Å; Q616-Q618 PolarHBondContact O-N 2.98Å; Q618-S622 PolarHBondContact O-N 2.93Å
619	L	97.3	Very high	96.9	Very high	122 Å²	122	91 Å²	91	64%	0.639	50%	0.502	S	S	*	.	H	α-helix	trans	-65.4	-48	174.9	-174.6	68.2	0	0	0	111	S615 Q616 A621 S622 A623	S615-L619 PolarHBondContact O-N 2.87Å; Q616-L619 WeakPolarHBondContact O-CB 3.35Å; Q616-L619 PolarHBondContact O-N 3.13Å; Q616-L619 VanDerWaalsContact O-N 3.12Å; L619-A621 PolarHBondContact O-N 3.26Å; L619-S622 PolarHBondContact O-N 2.84Å; L619-S622 VanDerWaalsContact O-N 3.16Å; L619-S622 PolarHBondContact O-OG 3.33Å; L619-A623 PolarHBondContact O-N 2.89Å
620	E	97.4	Very high	97	Very high	83 Å²	83	95 Å²	95	39%	0.388	51%	0.512	S	S	.	.	H	α-helix	trans	-58.7	-44.8	176.5	-72.7	172.8	-171.1	0	0	111.5	Q616 S622 A623 H624	Q616-E620 HydrophobicContact CG-CG 4.46Å; Q616-E620 WeakPolarHBondContact CG-OE1 3.46Å; Q616-E620 PolarHBondContact NE2-OE1 2.94Å; Q616-E620 WeakPolarHBondContact O-CG 3.5Å; Q616-E620 PolarHBondContact O-N 3.43Å; E620-S622 PolarHBondContact O-N 2.96Å; E620-A623 PolarHBondContact O-N 2.78Å; E620-H624 PolarHBondContact O-CD2 3.02Å; E620-H624 PolarHBondContact O-N 3.07Å
621	A	96.3	Very high	97	Very high	53 Å²	53	97.1 Å²	97.1	44%	0.438	52%	0.518	S	S	.	.	H	α-helix	trans	-59.3	-43.8	174.5	0	0	0	0	0	112.2	L617 L619 H624 Q625	L617-A621 VanDerWaalsContact O-CB 3.23Å; L617-A621 WeakPolarHBondContact O-CB 3.46Å; L617-A621 PolarHBondContact O-N 3.47Å; L619-A621 PolarHBondContact O-N 3.26Å; A621-H624 PolarHBondContact O-N 2.63Å; A621-Q625 WeakPolarHBondContact O-CB 3.36Å; A621-Q625 PolarHBondContact O-N 2.64Å
622	S	97.5	Very high	97	Very high	41 Å²	41	99.8 Å²	99.8	29%	0.287	53%	0.525	S	S	.	.	H	α-helix	trans	-65.6	-37.9	176.8	74.5	0	0	0	0	112.7	Q618 L619 E620 Q625 Q626	Q618-S622 PolarHBondContact O-N 2.93Å; L619-S622 PolarHBondContact O-N 2.84Å; L619-S622 VanDerWaalsContact O-N 3.16Å; L619-S622 PolarHBondContact O-OG 3.33Å; E620-S622 PolarHBondContact O-N 2.96Å; S622-Q625 PolarHBondContact O-N 2.99Å; S622-Q626 WeakPolarHBondContact O-CG 3.3Å; S622-Q626 PolarHBondContact O-N 2.9Å
623	A	96.7	Very high	97	Very high	34 Å²	34	99 Å²	99	28%	0.281	52%	0.523	S	S	.	.	H	α-helix	trans	-68.9	-35.1	175.3	0	0	0	0	0	112	L619 E620 K627	L619-A623 PolarHBondContact O-N 2.89Å; E620-A623 PolarHBondContact O-N 2.78Å; A623-K627 WeakPolarHBondContact O-CB 3.47Å; A623-K627 VanDerWaalsContact O-CG 3.26Å; A623-K627 WeakPolarHBondContact O-CG 3.34Å; A623-K627 PolarHBondContact O-N 3.3Å
624	H	96.4	Very high	97	Very high	126 Å²	126	96.3 Å²	96.3	58%	0.583	52%	0.517	S	S	*	.	H	α-helix	trans	-67.3	-39	170.7	-81.5	-69	0	0	0	112.1	E620 A621 K627 A628	E620-H624 PolarHBondContact O-CD2 3.02Å; E620-H624 PolarHBondContact O-N 3.07Å; A621-H624 PolarHBondContact O-N 2.63Å; H624-K627 PolarHBondContact O-N 2.74Å; H624-A628 WeakPolarHBondContact O-CB 3.29Å; H624-A628 PolarHBondContact O-N 3.16Å
625	Q	96.8	Very high	97	Very high	147 Å²	147	97.2 Å²	97.2	69%	0.687	52%	0.518	S	S	*	.	H	α-helix	trans	-63.5	-44.9	175	-173.2	176.5	-2.6	0	0	111.8	A621 S622 K627 A628 S629	A621-Q625 WeakPolarHBondContact O-CB 3.36Å; A621-Q625 PolarHBondContact O-N 2.64Å; S622-Q625 PolarHBondContact O-N 2.99Å; Q625-K627 PolarHBondContact O-N 2.88Å; Q625-A628 WeakPolarHBondContact O-CB 3.4Å; Q625-A628 PolarHBondContact O-N 3.08Å; Q625-S629 PolarHBondContact O-N 2.85Å; Q625-S629 PolarHBondContact O-OG 3.14Å
626	Q	97.2	Very high	97	Very high	138 Å²	138	96.6 Å²	96.6	65%	0.645	51%	0.514	S	S	*	.	H	α-helix	trans	-62.6	-40.5	175	-73.9	179.1	-10.7	0	0	112.6	S622 S629 K630	S622-Q626 WeakPolarHBondContact O-CG 3.3Å; S622-Q626 PolarHBondContact O-N 2.9Å; Q626-S629 WeakPolarHBondContact CA-OG 3.45Å; Q626-S629 PolarHBondContact O-N 3.39Å; Q626-S629 PolarHBondContact O-OG 3.13Å; Q626-K630 WeakPolarHBondContact O-CB 3.33Å; Q626-K630 PolarHBondContact O-N 3.21Å
627	K	97.3	Very high	97	Very high	130 Å²	130	94.7 Å²	94.7	57%	0.565	51%	0.512	S	S	*	.	H	α-helix	trans	-63.5	-40.5	173.6	-74.9	169.9	-177.5	176.6	0	111.7	A623 H624 Q625 K630 L631	A623-K627 WeakPolarHBondContact O-CB 3.47Å; A623-K627 VanDerWaalsContact O-CG 3.26Å; A623-K627 WeakPolarHBondContact O-CG 3.34Å; A623-K627 PolarHBondContact O-N 3.3Å; H624-K627 PolarHBondContact O-N 2.74Å; Q625-K627 PolarHBondContact O-N 2.88Å; K627-K630 PolarHBondContact O-N 3.49Å; K627-L631 WeakPolarHBondContact O-CB 3.45Å; K627-L631 VanDerWaalsContact O-CG 3.31Å; K627-L631 WeakPolarHBondContact O-CG 3.27Å; K627-L631 PolarHBondContact O-N 3.49Å
628	A	95.8	Very high	96.9	Very high	57 Å²	57	92.3 Å²	92.3	47%	0.471	51%	0.508	S	S	.	.	H	α-helix	trans	-63.3	-45.1	176.1	0	0	0	0	0	111.9	H624 Q625 K630 L631 Q632	H624-A628 WeakPolarHBondContact O-CB 3.29Å; H624-A628 PolarHBondContact O-N 3.16Å; Q625-A628 WeakPolarHBondContact O-CB 3.4Å; Q625-A628 PolarHBondContact O-N 3.08Å; A628-K630 PolarHBondContact O-N 3.36Å; A628-L631 PolarHBondContact O-N 2.94Å; A628-Q632 WeakPolarHBondContact O-CB 3.2Å; A628-Q632 PolarHBondContact O-N 3.31Å
629	S	96.5	Very high	96.9	Very high	70 Å²	70	90.4 Å²	90.4	49%	0.49	50%	0.502	S	S	.	.	H	α-helix	trans	-66.1	-34.6	175.9	52.5	0	0	0	0	113.1	Q625 Q626 Q632 G633	Q625-S629 PolarHBondContact O-N 2.85Å; Q625-S629 PolarHBondContact O-OG 3.14Å; Q626-S629 WeakPolarHBondContact CA-OG 3.45Å; Q626-S629 PolarHBondContact O-N 3.39Å; Q626-S629 PolarHBondContact O-OG 3.13Å; S629-Q632 PolarHBondContact O-N 2.77Å; S629-G633 PolarHBondContact O-N 3.02Å
630	K	97.6	Very high	96.9	Very high	136 Å²	136	91.2 Å²	91.2	59%	0.591	50%	0.502	S	S	*	.	H	α-helix	trans	-65.5	-48.2	174.5	-170	175.3	-169.6	-76.5	0	111.4	Q626 K627 A628 Q632 G633 E634	Q626-K630 WeakPolarHBondContact O-CB 3.33Å; Q626-K630 PolarHBondContact O-N 3.21Å; K627-K630 PolarHBondContact O-N 3.49Å; A628-K630 PolarHBondContact O-N 3.36Å; K630-Q632 VanDerWaalsContact C-N 3.27Å; K630-Q632 PolarHBondContact O-N 3.42Å; K630-G633 PolarHBondContact O-N 2.96Å; K630-G633 VanDerWaalsContact O-N 3.17Å; K630-E634 IonicContact NZ-OE1 2.81Å; K630-E634 PolarHBondContact NZ-OE1 3.32Å; K630-E634 WeakPolarHBondContact O-CG 3.25Å; K630-E634 PolarHBondContact O-N 2.89Å
631	L	96.9	Very high	96.8	Very high	109 Å²	109	90.8 Å²	90.8	57%	0.571	50%	0.503	S	S	*	.	H	α-helix	trans	-62.6	-32.8	175.9	-71.5	167.6	0	0	0	112.4	K627 A628 L635	K627-L631 WeakPolarHBondContact O-CB 3.45Å; K627-L631 VanDerWaalsContact O-CG 3.31Å; K627-L631 WeakPolarHBondContact O-CG 3.27Å; K627-L631 PolarHBondContact O-N 3.49Å; A628-L631 PolarHBondContact O-N 2.94Å; L631-L635 VanDerWaalsContact O-CB 3.3Å; L631-L635 WeakPolarHBondContact O-CB 3.45Å; L631-L635 PolarHBondContact O-N 3.45Å
632	Q	97.1	Very high	96.9	Very high	133 Å²	133	96.4 Å²	96.4	62%	0.621	51%	0.512	S	S	*	.	H	α-helix	trans	-66.9	-42.9	173.3	-174.9	177.2	-6	0	0	111.8	A628 S629 K630 L635 S636	A628-Q632 WeakPolarHBondContact O-CB 3.2Å; A628-Q632 PolarHBondContact O-N 3.31Å; S629-Q632 PolarHBondContact O-N 2.77Å; K630-Q632 VanDerWaalsContact C-N 3.27Å; K630-Q632 PolarHBondContact O-N 3.42Å; Q632-L635 PolarHBondContact O-N 3.08Å; Q632-S636 PolarHBondContact O-N 2.8Å; Q632-S636 PolarHBondContact O-OG 2.95Å
633	G	97.4	Very high	96.9	Very high	42 Å²	42	100.4 Å²	100.4	43%	0.433	53%	0.527	S	S	.	.	H	α-helix	trans	-64.5	-42.6	174.3	0	0	0	0	0	113	S629 K630 L635 S636 S637	S629-G633 PolarHBondContact O-N 3.02Å; K630-G633 PolarHBondContact O-N 2.96Å; K630-G633 VanDerWaalsContact O-N 3.17Å; G633-L635 VanDerWaalsContact C-N 3.32Å; G633-L635 PolarHBondContact O-N 2.94Å; G633-S636 PolarHBondContact O-N 2.92Å; G633-S637 WeakPolarHBondContact O-CB 3.28Å; G633-S637 PolarHBondContact O-N 3.39Å
634	E	97.5	Very high	96.9	Very high	91 Å²	91	102.1 Å²	102.1	43%	0.425	54%	0.536	S	S	.	.	H	α-helix	trans	-61	-39.8	173.6	-72.6	169.6	-171.8	0	0	111.9	K630 A638	K630-E634 IonicContact NZ-OE1 2.81Å; K630-E634 PolarHBondContact NZ-OE1 3.32Å; K630-E634 WeakPolarHBondContact O-CG 3.25Å; K630-E634 PolarHBondContact O-N 2.89Å; E634-A638 VanDerWaalsContact O-CB 3.28Å; E634-A638 WeakPolarHBondContact O-CB 3.18Å; E634-A638 PolarHBondContact O-N 2.98Å
635	L	97.1	Very high	96.9	Very high	107 Å²	107	103 Å²	103	56%	0.56	54%	0.535	S	S	*	.	H	α-helix	trans	-66.8	-44	175	179	61.8	0	0	0	112.4	L631 Q632 G633 A638 L639	L631-L635 VanDerWaalsContact O-CB 3.3Å; L631-L635 WeakPolarHBondContact O-CB 3.45Å; L631-L635 PolarHBondContact O-N 3.45Å; Q632-L635 PolarHBondContact O-N 3.08Å; G633-L635 VanDerWaalsContact C-N 3.32Å; G633-L635 PolarHBondContact O-N 2.94Å; L635-A638 PolarHBondContact O-N 3.35Å; L635-L639 HydrophobicContact CD1-CD1 4.24Å; L635-L639 HydrophobicContact CD1-CG 4.39Å; L635-L639 HydrophobicContact CG-CD1 4.11Å; L635-L639 VanDerWaalsContact O-CG 3.29Å; L635-L639 WeakPolarHBondContact O-CG 3.44Å; L635-L639 PolarHBondContact O-N 3.43Å
636	S	96.9	Very high	96.9	Very high	60 Å²	60	98.8 Å²	98.8	42%	0.42	52%	0.521	S	S	.	.	H	α-helix	trans	-60.6	-48.8	175.7	-76.7	0	0	0	0	111.6	Q632 G633 A638 L639 E640	Q632-S636 PolarHBondContact O-N 2.8Å; Q632-S636 PolarHBondContact O-OG 2.95Å; G633-S636 PolarHBondContact O-N 2.92Å; S636-A638 VanDerWaalsContact C-N 3.34Å; S636-A638 PolarHBondContact O-N 2.93Å; S636-L639 WeakPolarHBondContact O-CB 3.43Å; S636-L639 PolarHBondContact O-N 3.3Å; S636-L639 VanDerWaalsContact O-N 3.09Å; S636-E640 PolarHBondContact O-N 3.41Å
637	S	97.3	Very high	96.9	Very high	68 Å²	68	98.1 Å²	98.1	48%	0.476	52%	0.518	S	S	.	.	H	α-helix	trans	-58.9	-44.6	175.8	176.8	0	0	0	0	111.5	G633 L639 E640 D641	G633-S637 WeakPolarHBondContact O-CB 3.28Å; G633-S637 PolarHBondContact O-N 3.39Å; S637-L639 VanDerWaalsContact C-N 3.25Å; S637-L639 PolarHBondContact O-N 3.46Å; S637-E640 PolarHBondContact O-N 2.67Å; S637-D641 VanDerWaalsContact O-CB 3.28Å; S637-D641 WeakPolarHBondContact O-CB 3.48Å; S637-D641 PolarHBondContact O-N 3.49Å
638	A	95	Very high	96.9	Very high	57 Å²	57	100.1 Å²	100.1	47%	0.471	52%	0.522	S	S	.	.	H	α-helix	trans	-65.5	-23.6	177.2	0	0	0	0	0	114.3	E634 L635 S636 R642	E634-A638 VanDerWaalsContact O-CB 3.28Å; E634-A638 WeakPolarHBondContact O-CB 3.18Å; E634-A638 PolarHBondContact O-N 2.98Å; L635-A638 PolarHBondContact O-N 3.35Å; S636-A638 VanDerWaalsContact C-N 3.34Å; S636-A638 PolarHBondContact O-N 2.93Å; A638-R642 WeakPolarHBondContact O-CB 3.47Å; A638-R642 PolarHBondContact O-N 3.5Å; A638-R642 VanDerWaalsContact O-N 3.15Å
639	L	97	Very high	96.9	Very high	94 Å²	94	101.5 Å²	101.5	49%	0.492	52%	0.52	S	S	.	.	H	α-helix	trans	-79	-43.1	173.5	-73.3	165.1	0	0	0	111.6	L635 S636 S637 D641 R642 E643	L635-L639 HydrophobicContact CD1-CD1 4.24Å; L635-L639 HydrophobicContact CD1-CG 4.39Å; L635-L639 HydrophobicContact CG-CD1 4.11Å; L635-L639 VanDerWaalsContact O-CG 3.29Å; L635-L639 WeakPolarHBondContact O-CG 3.44Å; L635-L639 PolarHBondContact O-N 3.43Å; S636-L639 WeakPolarHBondContact O-CB 3.43Å; S636-L639 PolarHBondContact O-N 3.3Å; S636-L639 VanDerWaalsContact O-N 3.09Å; S637-L639 VanDerWaalsContact C-N 3.25Å; S637-L639 PolarHBondContact O-N 3.46Å; L639-D641 VanDerWaalsContact C-N 3.33Å; L639-D641 PolarHBondContact O-N 3.43Å; L639-R642 WeakPolarHBondContact O-CB 3.19Å; L639-R642 PolarHBondContact O-N 2.89Å; L639-E643 WeakPolarHBondContact O-CB 3.35Å; L639-E643 PolarHBondContact O-N 2.93Å
640	E	97.6	Very high	96.9	Very high	140 Å²	140	102.4 Å²	102.4	65%	0.654	52%	0.523	S	S	*	.	H	α-helix	trans	-61.2	-42.9	172.7	-69.5	170.4	-173.9	0	0	111.2	S636 S637 R642 E643 S644	S636-E640 PolarHBondContact O-N 3.41Å; S637-E640 PolarHBondContact O-N 2.67Å; E640-R642 VanDerWaalsContact C-N 3.31Å; E640-R642 PolarHBondContact O-N 3.19Å; E640-E643 PolarHBondContact O-N 3.23Å; E640-S644 WeakPolarHBondContact O-CB 3.5Å; E640-S644 PolarHBondContact O-N 3.16Å
641	D	95.8	Very high	96.9	Very high	74 Å²	74	98.5 Å²	98.5	40%	0.396	52%	0.516	S	S	.	.	H	α-helix	trans	-64.9	-35.9	177.1	-144.3	72.5	0	0	0	111.7	S637 L639 R645	S637-D641 VanDerWaalsContact O-CB 3.28Å; S637-D641 WeakPolarHBondContact O-CB 3.48Å; S637-D641 PolarHBondContact O-N 3.49Å; L639-D641 VanDerWaalsContact C-N 3.33Å; L639-D641 PolarHBondContact O-N 3.43Å; D641-R645 WeakPolarHBondContact O-CD 3.1Å; D641-R645 WeakPolarHBondContact O-CG 3.19Å; D641-R645 PolarHBondContact O-N 2.87Å; D641-R645 VanDerWaalsContact O-N 3.16Å; D641-R645 PolarHBondContact O-NE 3.15Å; D641-R645 IonicContact OD2-CZ 3.72Å; D641-R645 IonicContact OD2-NE 3.94Å; D641-R645 PolarHBondContact OD2-NE 3.25Å; D641-R645 IonicContact OD2-NH2 3.95Å; D641-R645 PolarHBondContact OD2-NH2 3.42Å
642	R	97.2	Very high	96.9	Very high	170 Å²	170	97.5 Å²	97.5	64%	0.642	51%	0.511	S	S	*	.	H	α-helix	trans	-66.1	-45.7	170.6	172.6	-174.8	170.3	128.2	4.1	111.7	A638 L639 E640 R645 C646	A638-R642 WeakPolarHBondContact O-CB 3.47Å; A638-R642 PolarHBondContact O-N 3.5Å; A638-R642 VanDerWaalsContact O-N 3.15Å; L639-R642 WeakPolarHBondContact O-CB 3.19Å; L639-R642 PolarHBondContact O-N 2.89Å; E640-R642 VanDerWaalsContact C-N 3.31Å; E640-R642 PolarHBondContact O-N 3.19Å; R642-R645 WeakPolarHBondContact O-CB 3.32Å; R642-R645 PolarHBondContact O-N 3.09Å; R642-C646 PolarHBondContact O-N 2.69Å; R642-C646 PolarHBondContact O-SG 3.02Å
643	E	97.7	Very high	96.8	Very high	125 Å²	125	96.4 Å²	96.4	58%	0.584	51%	0.506	S	S	*	.	H	α-helix	trans	-63.9	-44	-178.4	-176.5	127.7	-138.7	0	0	111.1	L639 E640 R645 C646 Q647	L639-E643 WeakPolarHBondContact O-CB 3.35Å; L639-E643 PolarHBondContact O-N 2.93Å; E640-E643 PolarHBondContact O-N 3.23Å; E643-R645 VanDerWaalsContact C-N 3.34Å; E643-R645 PolarHBondContact O-N 3.19Å; E643-C646 WeakPolarHBondContact O-CB 3.42Å; E643-C646 PolarHBondContact O-N 3.01Å; E643-C646 VanDerWaalsContact O-N 3.14Å; E643-Q647 WeakPolarHBondContact O-CG 3.49Å; E643-Q647 PolarHBondContact O-N 3.41Å
644	S	96.9	Very high	96.8	Very high	70 Å²	70	97.4 Å²	97.4	49%	0.49	51%	0.51	S	S	.	.	H	α-helix	trans	-56.8	-44.2	171.3	-178.1	0	0	0	0	112.4	E640 Q647 R648	E640-S644 WeakPolarHBondContact O-CB 3.5Å; E640-S644 PolarHBondContact O-N 3.16Å; S644-Q647 PolarHBondContact O-N 3.26Å; S644-R648 PolarHBondContact O-N 2.67Å
645	R	97.1	Very high	96.8	Very high	146 Å²	146	98.2 Å²	98.2	55%	0.551	51%	0.514	S	S	*	.	H	α-helix	trans	-63.9	-40	175.1	-68	161.6	-165.3	-136.3	8.1	111.9	D641 R642 E643 R648 I649	D641-R645 WeakPolarHBondContact O-CD 3.1Å; D641-R645 WeakPolarHBondContact O-CG 3.19Å; D641-R645 PolarHBondContact O-N 2.87Å; D641-R645 VanDerWaalsContact O-N 3.16Å; D641-R645 PolarHBondContact O-NE 3.15Å; D641-R645 IonicContact OD2-CZ 3.72Å; D641-R645 IonicContact OD2-NE 3.94Å; D641-R645 PolarHBondContact OD2-NE 3.25Å; D641-R645 IonicContact OD2-NH2 3.95Å; D641-R645 PolarHBondContact OD2-NH2 3.42Å; R642-R645 WeakPolarHBondContact O-CB 3.32Å; R642-R645 PolarHBondContact O-N 3.09Å; E643-R645 VanDerWaalsContact C-N 3.34Å; E643-R645 PolarHBondContact O-N 3.19Å; R645-R648 PolarHBondContact O-N 3.13Å; R645-I649 VanDerWaalsContact O-CG1 3.3Å; R645-I649 WeakPolarHBondContact O-CG1 3.4Å; R645-I649 PolarHBondContact O-N 3.01Å
646	C	96.1	Very high	96.6	Very high	58 Å²	58	98.7 Å²	98.7	39%	0.392	52%	0.516	S	S	.	.	H	α-helix	trans	-64	-47.2	175.2	-75.6	0	0	0	0	112.1	R642 E643 R648 I649 T650	R642-C646 PolarHBondContact O-N 2.69Å; R642-C646 PolarHBondContact O-SG 3.02Å; E643-C646 WeakPolarHBondContact O-CB 3.42Å; E643-C646 PolarHBondContact O-N 3.01Å; E643-C646 VanDerWaalsContact O-N 3.14Å; C646-R648 VanDerWaalsContact C-N 3.29Å; C646-R648 PolarHBondContact O-N 3.5Å; C646-I649 WeakPolarHBondContact O-CB 3.27Å; C646-I649 PolarHBondContact O-N 2.86Å; C646-I649 VanDerWaalsContact O-N 3.07Å; C646-T650 PolarHBondContact O-N 3.27Å; C646-T650 PolarHBondContact O-OG1 3.35Å
647	Q	97.4	Very high	96.6	Very high	124 Å²	124	100.1 Å²	100.1	58%	0.579	52%	0.516	S	S	*	.	H	α-helix	trans	-57.5	-42.3	175.8	-69.3	169.9	12	0	0	111.7	E643 S644 T650 A651	E643-Q647 WeakPolarHBondContact O-CG 3.49Å; E643-Q647 PolarHBondContact O-N 3.41Å; S644-Q647 PolarHBondContact O-N 3.26Å; Q647-T650 PolarHBondContact O-N 3.3Å; Q647-A651 PolarHBondContact O-N 2.86Å
648	R	97.7	Very high	96.6	Very high	171 Å²	171	102.9 Å²	102.9	65%	0.645	52%	0.522	S	S	*	.	H	α-helix	trans	-67.3	-33.2	175.7	-169.3	173.6	67.9	-179.8	1	113.1	S644 R645 C646 L652	S644-R648 PolarHBondContact O-N 2.67Å; R645-R648 PolarHBondContact O-N 3.13Å; C646-R648 VanDerWaalsContact C-N 3.29Å; C646-R648 PolarHBondContact O-N 3.5Å; R648-L652 HydrophobicContact CG-CD1 4.45Å; R648-L652 WeakPolarHBondContact O-CG 3.3Å; R648-L652 PolarHBondContact O-N 3.37Å; R648-L652 VanDerWaalsContact O-N 3.14Å
649	I	96.1	Very high	96.6	Very high	87 Å²	87	105.7 Å²	105.7	45%	0.446	53%	0.528	S	S	.	.	H	α-helix	trans	-64.9	-49.6	172.6	-72.3	162.7	0	0	0	109.7	R645 C646 A651 L652 E653	R645-I649 VanDerWaalsContact O-CG1 3.3Å; R645-I649 WeakPolarHBondContact O-CG1 3.4Å; R645-I649 PolarHBondContact O-N 3.01Å; C646-I649 WeakPolarHBondContact O-CB 3.27Å; C646-I649 PolarHBondContact O-N 2.86Å; C646-I649 VanDerWaalsContact O-N 3.07Å; I649-A651 VanDerWaalsContact C-N 3.3Å; I649-A651 PolarHBondContact O-N 2.88Å; I649-L652 CarbonylContact O-C 3.56Å; I649-L652 WeakPolarHBondContact O-CB 3.45Å; I649-L652 PolarHBondContact O-N 2.86Å; I649-E653 HydrophobicContact CG2-CG 4.22Å; I649-E653 WeakPolarHBondContact O-CG 3.37Å; I649-E653 PolarHBondContact O-N 3.37Å
650	T	96.3	Very high	96.6	Very high	88 Å²	88	105.5 Å²	105.5	54%	0.54	52%	0.523	S	S	.	.	H	α-helix	trans	-61.8	-35	178.7	-57.5	0	0	0	0	112.9	C646 Q647 E653 A654	C646-T650 PolarHBondContact O-N 3.27Å; C646-T650 PolarHBondContact O-OG1 3.35Å; Q647-T650 PolarHBondContact O-N 3.3Å; T650-E653 WeakPolarHBondContact CA-OE2 3.49Å; T650-E653 PolarHBondContact O-N 2.8Å; T650-A654 PolarHBondContact O-N 2.9Å
651	A	96.8	Very high	96.6	Very high	54 Å²	54	103.9 Å²	103.9	45%	0.446	52%	0.516	S	S	.	.	H	α-helix	trans	-64.8	-39.5	172.3	0	0	0	0	0	112.8	Q647 I649 Q655	Q647-A651 PolarHBondContact O-N 2.86Å; I649-A651 VanDerWaalsContact C-N 3.3Å; I649-A651 PolarHBondContact O-N 2.88Å; A651-Q655 WeakPolarHBondContact O-CG 3.29Å; A651-Q655 PolarHBondContact O-N 2.81Å; A651-Q655 VanDerWaalsContact O-N 3.15Å
652	L	96.4	Very high	96.7	Very high	89 Å²	89	102 Å²	102	47%	0.466	51%	0.511	S	S	.	.	H	α-helix	trans	-71.5	-34.5	175.1	-70.7	167.6	0	0	0	112.3	R648 I649 Q655 L656	R648-L652 HydrophobicContact CG-CD1 4.45Å; R648-L652 WeakPolarHBondContact O-CG 3.3Å; R648-L652 PolarHBondContact O-N 3.37Å; R648-L652 VanDerWaalsContact O-N 3.14Å; I649-L652 CarbonylContact O-C 3.56Å; I649-L652 WeakPolarHBondContact O-CB 3.45Å; I649-L652 PolarHBondContact O-N 2.86Å; L652-Q655 PolarHBondContact O-N 2.84Å; L652-L656 WeakPolarHBondContact O-CB 3.34Å; L652-L656 VanDerWaalsContact O-CG 3.3Å; L652-L656 WeakPolarHBondContact O-CG 3.41Å; L652-L656 PolarHBondContact O-N 3.38Å
653	E	96.3	Very high	96.5	Very high	109 Å²	109	96.8 Å²	96.8	51%	0.509	50%	0.504	S	S	.	.	H	α-helix	trans	-63.7	-42.2	173.8	-71.8	169.8	152.7	0	0	111.2	I649 T650 L656 E657	I649-E653 HydrophobicContact CG2-CG 4.22Å; I649-E653 WeakPolarHBondContact O-CG 3.37Å; I649-E653 PolarHBondContact O-N 3.37Å; T650-E653 WeakPolarHBondContact CA-OE2 3.49Å; T650-E653 PolarHBondContact O-N 2.8Å; E653-L656 PolarHBondContact O-N 3.22Å; E653-E657 PolarHBondContact O-N 2.82Å; E653-E657 VanDerWaalsContact O-N 3.07Å
654	A	96.6	Very high	96.5	Very high	63 Å²	63	95.5 Å²	95.5	52%	0.521	50%	0.498	S	S	.	.	H	α-helix	trans	-62.2	-44.7	173.5	0	0	0	0	0	112.5	T650 L656 E657 E658	T650-A654 PolarHBondContact O-N 2.9Å; A654-L656 VanDerWaalsContact C-N 3.33Å; A654-L656 PolarHBondContact O-N 2.85Å; A654-E657 PolarHBondContact O-N 2.81Å; A654-E658 PolarHBondContact O-N 2.84Å
655	Q	97.2	Very high	96.5	Very high	109 Å²	109	99 Å²	99	51%	0.509	50%	0.5	S	S	.	.	H	α-helix	trans	-63.8	-36	175.9	-73.7	179.4	-16	0	0	112.8	A651 L652 L659	A651-Q655 WeakPolarHBondContact O-CG 3.29Å; A651-Q655 PolarHBondContact O-N 2.81Å; A651-Q655 VanDerWaalsContact O-N 3.15Å; L652-Q655 PolarHBondContact O-N 2.84Å; Q655-L659 WeakPolarHBondContact O-CB 3.38Å; Q655-L659 VanDerWaalsContact O-CG 3.24Å; Q655-L659 WeakPolarHBondContact O-CG 3.38Å; Q655-L659 PolarHBondContact O-N 2.87Å
656	L	94.1	Very high	96.4	Very high	117 Å²	117	96.3 Å²	96.3	61%	0.613	50%	0.5	S	S	*	.	H	α-helix	trans	-67.6	-36.6	175.7	-76.8	170.7	0	0	0	112.3	L652 E653 A654 K660	L652-L656 WeakPolarHBondContact O-CB 3.34Å; L652-L656 VanDerWaalsContact O-CG 3.3Å; L652-L656 WeakPolarHBondContact O-CG 3.41Å; L652-L656 PolarHBondContact O-N 3.38Å; E653-L656 PolarHBondContact O-N 3.22Å; A654-L656 VanDerWaalsContact C-N 3.33Å; A654-L656 PolarHBondContact O-N 2.85Å; L656-K660 WeakPolarHBondContact O-CB 3.27Å; L656-K660 PolarHBondContact O-N 2.87Å
657	E	96.5	Very high	96.4	Very high	89 Å²	89	98.1 Å²	98.1	42%	0.416	50%	0.503	S	S	.	.	H	α-helix	trans	-73.2	-39.7	176.7	-168	63.8	-174.7	0	0	111.6	E653 A654 L659 K660 E661	E653-E657 PolarHBondContact O-N 2.82Å; E653-E657 VanDerWaalsContact O-N 3.07Å; A654-E657 PolarHBondContact O-N 2.81Å; E657-L659 PolarHBondContact O-N 2.94Å; E657-K660 CarbonylContact O-C 3.53Å; E657-K660 WeakPolarHBondContact O-CB 3.38Å; E657-K660 PolarHBondContact O-N 2.88Å; E657-K660 VanDerWaalsContact O-N 3.1Å; E657-K660 IonicContact OE1-NZ 3.61Å; E657-K660 PolarHBondContact OE1-NZ 3.44Å; E657-K660 IonicContact OE2-NZ 3.69Å; E657-K660 PolarHBondContact OE2-NZ 2.85Å; E657-E661 PolarHBondContact O-N 2.86Å
658	E	96.9	Very high	96.4	Very high	127 Å²	127	96.2 Å²	96.2	59%	0.593	50%	0.497	S	S	*	.	H	α-helix	trans	-59.3	-44.7	171.8	-174.6	-174.6	-178.9	0	0	111.9	A654 K660 E661 A662	A654-E658 PolarHBondContact O-N 2.84Å; E658-K660 VanDerWaalsContact C-N 3.28Å; E658-K660 PolarHBondContact O-N 2.95Å; E658-E661 PolarHBondContact O-N 2.9Å; E658-A662 WeakPolarHBondContact O-CB 3.46Å; E658-A662 PolarHBondContact O-N 2.85Å
659	L	95.4	Very high	96.3	Very high	116 Å²	116	94.1 Å²	94.1	61%	0.607	49%	0.494	S	S	*	.	H	α-helix	trans	-63.9	-32.8	175	-74.9	170.3	0	0	0	112.3	Q655 E657 A663	Q655-L659 WeakPolarHBondContact O-CB 3.38Å; Q655-L659 VanDerWaalsContact O-CG 3.24Å; Q655-L659 WeakPolarHBondContact O-CG 3.38Å; Q655-L659 PolarHBondContact O-N 2.87Å; E657-L659 PolarHBondContact O-N 2.94Å; L659-A663 WeakPolarHBondContact O-CB 3.37Å; L659-A663 PolarHBondContact O-N 2.77Å
660	K	97.1	Very high	96.2	Very high	89 Å²	89	97.2 Å²	97.2	39%	0.387	50%	0.501	S	S	.	.	H	α-helix	trans	-70.9	-44.2	174.6	178.8	170.6	136.6	-71.6	0	111.6	L656 E657 E658 A662 A663 E664	L656-K660 WeakPolarHBondContact O-CB 3.27Å; L656-K660 PolarHBondContact O-N 2.87Å; E657-K660 CarbonylContact O-C 3.53Å; E657-K660 WeakPolarHBondContact O-CB 3.38Å; E657-K660 PolarHBondContact O-N 2.88Å; E657-K660 VanDerWaalsContact O-N 3.1Å; E657-K660 IonicContact OE1-NZ 3.61Å; E657-K660 PolarHBondContact OE1-NZ 3.44Å; E657-K660 IonicContact OE2-NZ 3.69Å; E657-K660 PolarHBondContact OE2-NZ 2.85Å; E658-K660 VanDerWaalsContact C-N 3.28Å; E658-K660 PolarHBondContact O-N 2.95Å; K660-A662 VanDerWaalsContact C-N 3.29Å; K660-A662 PolarHBondContact O-N 2.85Å; K660-A663 PolarHBondContact O-N 2.88Å; K660-E664 WeakPolarHBondContact CE-OE1 3.23Å; K660-E664 IonicContact NZ-OE1 2.64Å; K660-E664 WeakPolarHBondContact O-CG 3.26Å; K660-E664 PolarHBondContact O-N 3.04Å
661	E	97.7	Very high	96.2	Very high	106 Å²	106	99.5 Å²	99.5	50%	0.495	50%	0.5	S	S	.	.	H	α-helix	trans	-61.7	-36	171.7	-71.4	-173.2	177.8	0	0	112.4	E657 E658 R665	E657-E661 PolarHBondContact O-N 2.86Å; E658-E661 PolarHBondContact O-N 2.9Å; E661-R665 WeakPolarHBondContact O-CB 3.44Å; E661-R665 VanDerWaalsContact O-CG 3.29Å; E661-R665 WeakPolarHBondContact O-CG 3.24Å; E661-R665 PolarHBondContact O-N 3.14Å; E661-R665 PolarHBondContact O-NE 3.37Å; E661-R665 VanDerWaalsContact O-NE 3.14Å
662	A	96.5	Very high	96.2	Very high	36 Å²	36	100.3 Å²	100.3	30%	0.298	50%	0.502	S	S	.	.	H	α-helix	trans	-64.9	-44.5	172.3	0	0	0	0	0	111.7	E658 K660 R665 V666	E658-A662 WeakPolarHBondContact O-CB 3.46Å; E658-A662 PolarHBondContact O-N 2.85Å; K660-A662 VanDerWaalsContact C-N 3.29Å; K660-A662 PolarHBondContact O-N 2.85Å; A662-R665 PolarHBondContact O-N 2.87Å; A662-V666 WeakPolarHBondContact O-CG2 3.38Å; A662-V666 PolarHBondContact O-N 3.21Å
663	A	94.5	Very high	96.1	Very high	60 Å²	60	100.2 Å²	100.2	50%	0.496	50%	0.5	S	S	.	.	H	α-helix	trans	-64.2	-39.1	176.1	0	0	0	0	0	112.7	L659 K660 V666 Q667	L659-A663 WeakPolarHBondContact O-CB 3.37Å; L659-A663 PolarHBondContact O-N 2.77Å; K660-A663 PolarHBondContact O-N 2.88Å; A663-V666 PolarHBondContact O-N 3.4Å; A663-Q667 WeakPolarHBondContact O-CB 3.24Å; A663-Q667 PolarHBondContact O-N 2.98Å
664	E	97.4	Very high	96.1	Very high	98 Å²	98	100.6 Å²	100.6	46%	0.458	50%	0.499	S	S	.	.	H	α-helix	trans	-68.2	-38.9	175.3	-72.4	-175.2	-150.4	0	0	112	K660 Q667 N668	K660-E664 WeakPolarHBondContact CE-OE1 3.23Å; K660-E664 IonicContact NZ-OE1 2.64Å; K660-E664 WeakPolarHBondContact O-CG 3.26Å; K660-E664 PolarHBondContact O-N 3.04Å; E664-Q667 PolarHBondContact O-N 3.28Å; E664-N668 WeakPolarHBondContact O-CB 3.34Å; E664-N668 PolarHBondContact O-N 2.79Å; E664-N668 PolarHBondContact O-ND2 3.37Å
665	R	96.4	Very high	96.1	Very high	142 Å²	142	104.2 Å²	104.2	54%	0.536	51%	0.506	S	S	.	.	H	α-helix	trans	-58.4	-49.7	170.6	-79.4	178.1	-75.7	168.3	-7.3	111.8	E661 A662 Q667 N668 Q669	E661-R665 WeakPolarHBondContact O-CB 3.44Å; E661-R665 VanDerWaalsContact O-CG 3.29Å; E661-R665 WeakPolarHBondContact O-CG 3.24Å; E661-R665 PolarHBondContact O-N 3.14Å; E661-R665 PolarHBondContact O-NE 3.37Å; E661-R665 VanDerWaalsContact O-NE 3.14Å; A662-R665 PolarHBondContact O-N 2.87Å; R665-Q667 PolarHBondContact O-N 3.22Å; R665-N668 PolarHBondContact O-N 3.03Å; R665-Q669 WeakPolarHBondContact O-CG 3.3Å; R665-Q669 PolarHBondContact O-N 2.95Å
666	V	95.4	Very high	96	Very high	90 Å²	90	105.1 Å²	105.1	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-63.9	-39.2	177.3	172.4	0	0	0	0	111.6	A662 A663 N668 Q669 Y670	A662-V666 WeakPolarHBondContact O-CG2 3.38Å; A662-V666 PolarHBondContact O-N 3.21Å; A663-V666 PolarHBondContact O-N 3.4Å; V666-N668 VanDerWaalsContact C-N 3.31Å; V666-N668 PolarHBondContact O-N 2.93Å; V666-Q669 PolarHBondContact O-N 2.97Å; V666-Y670 WeakPolarHBondContact O-CB 3.43Å; V666-Y670 PolarHBondContact O-N 2.95Å
667	Q	95.9	Very high	96	Very high	96 Å²	96	107.1 Å²	107.1	45%	0.449	50%	0.504	S	S	.	.	H	α-helix	trans	-63.3	-37.7	175.6	-173.3	-179.8	84.4	0	0	111.9	A663 E664 R665 R671	A663-Q667 WeakPolarHBondContact O-CB 3.24Å; A663-Q667 PolarHBondContact O-N 2.98Å; E664-Q667 PolarHBondContact O-N 3.28Å; R665-Q667 PolarHBondContact O-N 3.22Å; Q667-R671 VanDerWaalsContact CD-NH2 3.34Å; Q667-R671 WeakPolarHBondContact O-CG 3.45Å; Q667-R671 PolarHBondContact O-N 2.87Å
668	N	96.5	Very high	96	Very high	85 Å²	85	109 Å²	109	46%	0.455	51%	0.511	S	S	.	.	H	α-helix	trans	-71.5	-40.2	176.4	-72.6	-28.2	0	0	0	112.3	E664 R665 V666 Y670 R671 S672	E664-N668 WeakPolarHBondContact O-CB 3.34Å; E664-N668 PolarHBondContact O-N 2.79Å; E664-N668 PolarHBondContact O-ND2 3.37Å; R665-N668 PolarHBondContact O-N 3.03Å; V666-N668 VanDerWaalsContact C-N 3.31Å; V666-N668 PolarHBondContact O-N 2.93Å; N668-Y670 VanDerWaalsContact C-N 3.33Å; N668-Y670 PolarHBondContact O-N 3.44Å; N668-R671 WeakPolarHBondContact O-CB 3.38Å; N668-R671 PolarHBondContact O-N 3.27Å; N668-R671 VanDerWaalsContact O-N 3.14Å; N668-R671 PolarHBondContact OD1-NH1 3.07Å; N668-S672 PolarHBondContact O-N 3.45Å; N668-S672 PolarHBondContact O-OG 3.5Å
669	Q	95.9	Very high	96	Very high	126 Å²	126	107.3 Å²	107.3	59%	0.589	50%	0.503	S	S	*	.	H	α-helix	trans	-59.6	-41.9	170.9	-72.6	173	-20.3	0	0	112	R665 V666 R671 S672 E673	R665-Q669 WeakPolarHBondContact O-CG 3.3Å; R665-Q669 PolarHBondContact O-N 2.95Å; V666-Q669 PolarHBondContact O-N 2.97Å; Q669-R671 VanDerWaalsContact C-N 3.32Å; Q669-R671 PolarHBondContact O-N 3.03Å; Q669-S672 PolarHBondContact O-N 3.35Å; Q669-S672 PolarHBondContact O-OG 3.45Å; Q669-E673 VanDerWaalsContact O-CB 3.3Å; Q669-E673 WeakPolarHBondContact O-CB 3.39Å; Q669-E673 PolarHBondContact O-N 2.96Å
670	Y	95.5	Very high	95.9	Very high	152 Å²	152	105.7 Å²	105.7	60%	0.596	49%	0.493	S	S	*	.	H	α-helix	trans	-65.1	-33.1	174.5	174.8	-115.7	0	0	0	112.8	V666 N668 K674	V666-Y670 WeakPolarHBondContact O-CB 3.43Å; V666-Y670 PolarHBondContact O-N 2.95Å; N668-Y670 VanDerWaalsContact C-N 3.33Å; N668-Y670 PolarHBondContact O-N 3.44Å; Y670-K674 WeakPolarHBondContact O-CB 3.47Å; Y670-K674 PolarHBondContact O-N 3.14Å
671	R	95.9	Very high	95.8	Very high	136 Å²	136	106 Å²	106	51%	0.513	50%	0.496	S	S	.	.	H	α-helix	trans	-66.5	-47.3	173.7	-74.4	169.8	176.4	132.9	4.9	111.9	Q667 N668 Q669 K674 Q675	Q667-R671 VanDerWaalsContact CD-NH2 3.34Å; Q667-R671 WeakPolarHBondContact O-CG 3.45Å; Q667-R671 PolarHBondContact O-N 2.87Å; N668-R671 WeakPolarHBondContact O-CB 3.38Å; N668-R671 PolarHBondContact O-N 3.27Å; N668-R671 VanDerWaalsContact O-N 3.14Å; N668-R671 PolarHBondContact OD1-NH1 3.07Å; Q669-R671 VanDerWaalsContact C-N 3.32Å; Q669-R671 PolarHBondContact O-N 3.03Å; R671-K674 PolarHBondContact O-N 2.71Å; R671-Q675 PolarHBondContact O-N 3.14Å
672	S	95.4	Very high	95.7	Very high	71 Å²	71	107.3 Å²	107.3	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-66.7	-41	178.1	53.3	0	0	0	0	111.7	N668 Q669 K674 Q675 R676	N668-S672 PolarHBondContact O-N 3.45Å; N668-S672 PolarHBondContact O-OG 3.5Å; Q669-S672 PolarHBondContact O-N 3.35Å; Q669-S672 PolarHBondContact O-OG 3.45Å; S672-K674 VanDerWaalsContact C-N 3.35Å; S672-K674 PolarHBondContact O-N 3Å; S672-Q675 WeakPolarHBondContact O-CA 3.4Å; S672-Q675 WeakPolarHBondContact O-CB 3.08Å; S672-Q675 PolarHBondContact O-N 3.14Å; S672-Q675 VanDerWaalsContact O-N 3.08Å; S672-R676 PolarHBondContact O-N 3.34Å
673	E	94.4	Very high	95.8	Very high	88 Å²	88	112.3 Å²	112.3	41%	0.411	52%	0.517	S	S	.	.	H	α-helix	trans	-65.2	-37.7	176	-177.8	55.6	-160.3	0	0	112.1	Q669 Q675 R676 R677	Q669-E673 VanDerWaalsContact O-CB 3.3Å; Q669-E673 WeakPolarHBondContact O-CB 3.39Å; Q669-E673 PolarHBondContact O-N 2.96Å; E673-Q675 VanDerWaalsContact C-N 3.28Å; E673-Q675 PolarHBondContact O-N 2.88Å; E673-R676 PolarHBondContact O-N 3.46Å; E673-R676 IonicContact OE1-CZ 2.73Å; E673-R676 IonicContact OE1-NE 3.12Å; E673-R676 PolarHBondContact OE1-NE 2.87Å; E673-R676 IonicContact OE1-NH2 3.16Å; E673-R676 PolarHBondContact OE1-NH2 3.14Å; E673-R676 IonicContact OE2-CZ 3.88Å; E673-R676 IonicContact OE2-NE 3.97Å; E673-R676 PolarHBondContact OE2-NE 3.49Å; E673-R676 IonicContact OE2-NH2 2.64Å; E673-R677 WeakPolarHBondContact O-CB 3.29Å; E673-R677 PolarHBondContact O-N 3Å
674	K	96.3	Very high	95.7	Very high	116 Å²	116	113 Å²	113	50%	0.504	52%	0.515	S	S	.	.	H	α-helix	trans	-64.4	-30.9	171.6	-177.5	171	-178.5	171.7	0	112.8	Y670 R671 S672 K678	Y670-K674 WeakPolarHBondContact O-CB 3.47Å; Y670-K674 PolarHBondContact O-N 3.14Å; R671-K674 PolarHBondContact O-N 2.71Å; S672-K674 VanDerWaalsContact C-N 3.35Å; S672-K674 PolarHBondContact O-N 3Å; K674-K678 PolarHBondContact O-N 2.72Å
675	Q	96.6	Very high	95.6	Very high	139 Å²	139	109.4 Å²	109.4	65%	0.65	50%	0.504	S	S	*	.	H	α-helix	trans	-73.9	-45.4	173	-178.4	170.4	-24.2	0	0	111.3	R671 S672 E673 R677 K678 E679	R671-Q675 PolarHBondContact O-N 3.14Å; S672-Q675 WeakPolarHBondContact O-CA 3.4Å; S672-Q675 WeakPolarHBondContact O-CB 3.08Å; S672-Q675 PolarHBondContact O-N 3.14Å; S672-Q675 VanDerWaalsContact O-N 3.08Å; E673-Q675 VanDerWaalsContact C-N 3.28Å; E673-Q675 PolarHBondContact O-N 2.88Å; Q675-R677 VanDerWaalsContact C-N 3.29Å; Q675-R677 PolarHBondContact O-N 3.25Å; Q675-K678 WeakPolarHBondContact O-CB 3.45Å; Q675-K678 PolarHBondContact O-N 3.42Å; Q675-K678 VanDerWaalsContact O-N 3.12Å; Q675-E679 PolarHBondContact O-N 3.41Å
676	R	96.7	Very high	95.6	Very high	129 Å²	129	104.7 Å²	104.7	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-57.2	-41.8	174.3	-166	-171.3	73.5	86.4	0.4	111.6	S672 E673 E679 M680	S672-R676 PolarHBondContact O-N 3.34Å; E673-R676 PolarHBondContact O-N 3.46Å; E673-R676 IonicContact OE1-CZ 2.73Å; E673-R676 IonicContact OE1-NE 3.12Å; E673-R676 PolarHBondContact OE1-NE 2.87Å; E673-R676 IonicContact OE1-NH2 3.16Å; E673-R676 PolarHBondContact OE1-NH2 3.14Å; E673-R676 IonicContact OE2-CZ 3.88Å; E673-R676 IonicContact OE2-NE 3.97Å; E673-R676 PolarHBondContact OE2-NE 3.49Å; E673-R676 IonicContact OE2-NH2 2.64Å; R676-E679 WeakPolarHBondContact O-CB 3.33Å; R676-E679 PolarHBondContact O-N 2.65Å; R676-M680 WeakPolarHBondContact O-CG 3.33Å; R676-M680 PolarHBondContact O-N 3.44Å
677	R	93.9	Very high	95.6	Very high	159 Å²	159	103.9 Å²	103.9	60%	0.6	49%	0.491	S	S	*	.	H	α-helix	trans	-59.9	-46.8	173.9	177.8	176.8	161.8	152.8	6.1	112	E673 Q675 E679 M680 E681	E673-R677 WeakPolarHBondContact O-CB 3.29Å; E673-R677 PolarHBondContact O-N 3Å; Q675-R677 VanDerWaalsContact C-N 3.29Å; Q675-R677 PolarHBondContact O-N 3.25Å; R677-E679 VanDerWaalsContact C-N 3.29Å; R677-E679 PolarHBondContact O-N 2.89Å; R677-M680 PolarHBondContact O-N 2.89Å; R677-E681 HydrophobicContact CG-CG 4.36Å; R677-E681 IonicContact CZ-OE1 2.71Å; R677-E681 IonicContact NE-OE1 2.65Å; R677-E681 PolarHBondContact NE-OE1 2.87Å; R677-E681 IonicContact NH2-OE1 2.72Å; R677-E681 PolarHBondContact NH2-OE1 2.88Å; R677-E681 WeakPolarHBondContact O-CG 3.46Å; R677-E681 PolarHBondContact O-N 2.7Å
678	K	96.4	Very high	95.5	Very high	128 Å²	128	105.3 Å²	105.3	56%	0.557	50%	0.497	S	S	*	.	H	α-helix	trans	-60.4	-39.4	176.4	-78.6	-177.1	166.8	-159.7	0	112.6	K674 Q675 M680 E681 L682	K674-K678 PolarHBondContact O-N 2.72Å; Q675-K678 WeakPolarHBondContact O-CB 3.45Å; Q675-K678 PolarHBondContact O-N 3.42Å; Q675-K678 VanDerWaalsContact O-N 3.12Å; K678-M680 VanDerWaalsContact C-N 3.35Å; K678-E681 PolarHBondContact O-N 2.82Å; K678-L682 WeakPolarHBondContact O-CG 3.49Å; K678-L682 PolarHBondContact O-N 3.46Å
679	E	96.8	Very high	95.5	Very high	91 Å²	91	108 Å²	108	43%	0.425	51%	0.507	S	S	.	.	H	α-helix	trans	-64.3	-41.2	176.7	-169.1	-176.6	168.5	0	0	111.3	Q675 R676 R677 L682 R683	Q675-E679 PolarHBondContact O-N 3.41Å; R676-E679 WeakPolarHBondContact O-CB 3.33Å; R676-E679 PolarHBondContact O-N 2.65Å; R677-E679 VanDerWaalsContact C-N 3.29Å; R677-E679 PolarHBondContact O-N 2.89Å; E679-L682 PolarHBondContact O-N 2.91Å; E679-R683 VanDerWaalsContact O-CG 3.31Å; E679-R683 WeakPolarHBondContact O-CG 3.36Å; E679-R683 PolarHBondContact O-N 2.79Å; E679-R683 IonicContact OE1-CZ 2.7Å; E679-R683 IonicContact OE1-NE 2.82Å; E679-R683 IonicContact OE1-NH2 3.97Å; E679-R683 PolarHBondContact OE1-NH2 3.35Å
680	M	93.4	Very high	95.5	Very high	83 Å²	83	107.9 Å²	107.9	41%	0.409	51%	0.506	S	S	.	.	H	α-helix	trans	-66.6	-39.1	172.4	-67.5	-59.7	-59.9	0	0	112.7	R676 R677 K678 L682 R683 V684	R676-M680 WeakPolarHBondContact O-CG 3.33Å; R676-M680 PolarHBondContact O-N 3.44Å; R677-M680 PolarHBondContact O-N 2.89Å; K678-M680 VanDerWaalsContact C-N 3.35Å; M680-L682 VanDerWaalsContact C-N 3.34Å; M680-L682 PolarHBondContact O-N 2.95Å; M680-R683 PolarHBondContact O-N 3.01Å; M680-V684 WeakPolarHBondContact O-CG2 3.49Å; M680-V684 PolarHBondContact O-N 2.89Å
681	E	93.4	Very high	95.3	Very high	94 Å²	94	105.7 Å²	105.7	44%	0.439	50%	0.504	S	S	.	.	H	α-helix	trans	-62	-39.8	174.7	-73.9	169.1	160.3	0	0	111.6	R677 K678 V684 G685	R677-E681 HydrophobicContact CG-CG 4.36Å; R677-E681 IonicContact CZ-OE1 2.71Å; R677-E681 IonicContact NE-OE1 2.65Å; R677-E681 PolarHBondContact NE-OE1 2.87Å; R677-E681 IonicContact NH2-OE1 2.72Å; R677-E681 PolarHBondContact NH2-OE1 2.88Å; R677-E681 WeakPolarHBondContact O-CG 3.46Å; R677-E681 PolarHBondContact O-N 2.7Å; K678-E681 PolarHBondContact O-N 2.82Å; E681-V684 PolarHBondContact O-N 3.3Å; E681-G685 PolarHBondContact O-N 2.74Å
682	L	97.1	Very high	95.3	Very high	135 Å²	135	104.3 Å²	104.3	71%	0.707	50%	0.504	S	S	*	.	H	α-helix	trans	-66.3	-40.7	173.3	-72	169.6	0	0	0	112.6	K678 E679 M680 G685 A686	K678-L682 WeakPolarHBondContact O-CG 3.49Å; K678-L682 PolarHBondContact O-N 3.46Å; E679-L682 PolarHBondContact O-N 2.91Å; M680-L682 VanDerWaalsContact C-N 3.34Å; M680-L682 PolarHBondContact O-N 2.95Å; L682-G685 PolarHBondContact O-N 2.97Å; L682-A686 PolarHBondContact O-N 3.36Å
683	R	97.1	Very high	95.4	Very high	140 Å²	140	106.1 Å²	106.1	53%	0.528	51%	0.508	S	S	.	.	H	α-helix	trans	-65.4	-37.9	175.8	-70.8	170.5	-174.3	-170.5	0.1	112.3	E679 M680 V687	E679-R683 VanDerWaalsContact O-CG 3.31Å; E679-R683 WeakPolarHBondContact O-CG 3.36Å; E679-R683 PolarHBondContact O-N 2.79Å; E679-R683 IonicContact OE1-CZ 2.7Å; E679-R683 IonicContact OE1-NE 2.82Å; E679-R683 IonicContact OE1-NH2 3.97Å; E679-R683 PolarHBondContact OE1-NH2 3.35Å; M680-R683 PolarHBondContact O-N 3.01Å; R683-V687 WeakPolarHBondContact O-CG2 3.46Å; R683-V687 PolarHBondContact O-N 2.93Å
684	V	93.5	Very high	95.4	Very high	75 Å²	75	107.4 Å²	107.4	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-64.3	-46.6	173.9	169.4	0	0	0	0	110.3	M680 E681 A686 V687 E688	M680-V684 WeakPolarHBondContact O-CG2 3.49Å; M680-V684 PolarHBondContact O-N 2.89Å; E681-V684 PolarHBondContact O-N 3.3Å; V684-A686 VanDerWaalsContact C-N 3.34Å; V684-A686 PolarHBondContact O-N 3.15Å; V684-V687 PolarHBondContact O-N 3.45Å; V684-V687 VanDerWaalsContact O-N 3.12Å; V684-E688 HydrophobicContact CG1-CG 4.26Å; V684-E688 WeakPolarHBondContact O-CG 3.32Å; V684-E688 PolarHBondContact O-N 3.31Å
685	G	95.6	Very high	95.3	Very high	23 Å²	23	106.9 Å²	106.9	24%	0.237	52%	0.515	C	S	.	.	H	α-helix	trans	-56.7	-43.6	176.5	0	0	0	0	0	113.3	E681 L682 V687 E688 E689	E681-G685 PolarHBondContact O-N 2.74Å; L682-G685 PolarHBondContact O-N 2.97Å; G685-V687 PolarHBondContact O-N 3.34Å; G685-E688 PolarHBondContact O-N 3.41Å; G685-E689 WeakPolarHBondContact O-CG 3.3Å; G685-E689 PolarHBondContact O-N 2.84Å
686	A	96.2	Very high	95.3	Very high	43 Å²	43	102.3 Å²	102.3	36%	0.355	50%	0.498	S	S	.	.	H	α-helix	trans	-62	-40	175.7	0	0	0	0	0	112.9	L682 V684 E689 E690	L682-A686 PolarHBondContact O-N 3.36Å; V684-A686 VanDerWaalsContact C-N 3.34Å; V684-A686 PolarHBondContact O-N 3.15Å; A686-E689 PolarHBondContact O-N 3.04Å; A686-E690 WeakPolarHBondContact O-CG 3.43Å; A686-E690 PolarHBondContact O-N 3.01Å
687	V	94.9	Very high	95.2	Very high	73 Å²	73	100.6 Å²	100.6	44%	0.442	50%	0.499	S	S	.	.	H	α-helix	trans	-70.7	-31.8	175.6	173.4	0	0	0	0	111.8	R683 V684 G685 L691	R683-V687 WeakPolarHBondContact O-CG2 3.46Å; R683-V687 PolarHBondContact O-N 2.93Å; V684-V687 PolarHBondContact O-N 3.45Å; V684-V687 VanDerWaalsContact O-N 3.12Å; G685-V687 PolarHBondContact O-N 3.34Å; V687-L691 HydrophobicContact CG1-CD1 4.12Å; V687-L691 HydrophobicContact CG1-CG 4.48Å; V687-L691 WeakPolarHBondContact O-CB 3.21Å; V687-L691 VanDerWaalsContact O-CG 3.22Å; V687-L691 WeakPolarHBondContact O-CG 3.25Å; V687-L691 PolarHBondContact O-N 3.4Å
688	E	93.8	Very high	95.2	Very high	125 Å²	125	100.7 Å²	100.7	58%	0.584	50%	0.503	S	S	*	.	H	α-helix	trans	-68	-37.2	172.5	-72.2	177.5	163.2	0	0	112	V684 G685 Q692	V684-E688 HydrophobicContact CG1-CG 4.26Å; V684-E688 WeakPolarHBondContact O-CG 3.32Å; V684-E688 PolarHBondContact O-N 3.31Å; G685-E688 PolarHBondContact O-N 3.41Å; E688-Q692 WeakPolarHBondContact O-CB 3.25Å; E688-Q692 PolarHBondContact O-N 3.06Å
689	E	96.4	Very high	95.1	Very high	141 Å²	141	99.9 Å²	99.9	66%	0.659	50%	0.502	S	S	*	.	H	α-helix	trans	-64.2	-50.9	171.2	-72.2	175.4	172.9	0	0	111.2	G685 A686 L691 Q692 D693	G685-E689 WeakPolarHBondContact O-CG 3.3Å; G685-E689 PolarHBondContact O-N 2.84Å; A686-E689 PolarHBondContact O-N 3.04Å; E689-L691 VanDerWaalsContact C-N 3.3Å; E689-L691 PolarHBondContact O-N 3.21Å; E689-Q692 PolarHBondContact O-N 3.29Å; E689-Q692 VanDerWaalsContact O-N 3.08Å; E689-D693 PolarHBondContact O-N 2.83Å
690	E	96.4	Very high	95	Very high	124 Å²	124	98.6 Å²	98.6	58%	0.579	50%	0.498	S	S	*	.	H	α-helix	trans	-55.9	-41.2	175.2	-74.5	179.9	-171.3	0	0	112.6	A686 L694	A686-E690 WeakPolarHBondContact O-CG 3.43Å; A686-E690 PolarHBondContact O-N 3.01Å; E690-L694 WeakPolarHBondContact O-CB 3.41Å; E690-L694 VanDerWaalsContact O-CG 3.26Å; E690-L694 WeakPolarHBondContact O-CG 3.23Å; E690-L694 PolarHBondContact O-N 3.23Å
691	L	91.9	Very high	95	Very high	106 Å²	106	100 Å²	100	56%	0.555	51%	0.507	S	S	*	.	H	α-helix	trans	-67.5	-35.1	177.2	-78.2	170.2	0	0	0	112.9	V687 E689 K695	V687-L691 HydrophobicContact CG1-CD1 4.12Å; V687-L691 HydrophobicContact CG1-CG 4.48Å; V687-L691 WeakPolarHBondContact O-CB 3.21Å; V687-L691 VanDerWaalsContact O-CG 3.22Å; V687-L691 WeakPolarHBondContact O-CG 3.25Å; V687-L691 PolarHBondContact O-N 3.4Å; E689-L691 VanDerWaalsContact C-N 3.3Å; E689-L691 PolarHBondContact O-N 3.21Å; L691-K695 VanDerWaalsContact O-CB 3.3Å; L691-K695 WeakPolarHBondContact O-CB 3.44Å; L691-K695 PolarHBondContact O-N 3.42Å
692	Q	95.9	Very high	95	Very high	107 Å²	107	97.4 Å²	97.4	50%	0.5	50%	0.504	S	S	.	.	H	α-helix	trans	-73.3	-37.5	177.5	176.2	60	16.4	0	0	111.5	E688 E689 K695 S696	E688-Q692 WeakPolarHBondContact O-CB 3.25Å; E688-Q692 PolarHBondContact O-N 3.06Å; E689-Q692 PolarHBondContact O-N 3.29Å; E689-Q692 VanDerWaalsContact O-N 3.08Å; Q692-K695 PolarHBondContact O-N 3.46Å; Q692-S696 PolarHBondContact O-N 2.64Å
693	D	95.7	Very high	94.9	Very high	110 Å²	110	98.7 Å²	98.7	59%	0.588	50%	0.5	S	S	*	.	H	α-helix	trans	-63.8	-50.4	172.3	-81.9	-6.4	0	0	0	111.2	E689 K695 S696 D697	E689-D693 PolarHBondContact O-N 2.83Å; D693-K695 PolarHBondContact O-N 3.01Å; D693-S696 WeakPolarHBondContact O-CA 3.34Å; D693-S696 WeakPolarHBondContact O-CB 3.26Å; D693-S696 PolarHBondContact O-N 3.35Å; D693-S696 PolarHBondContact O-OG 2.85Å; D693-D697 PolarHBondContact O-N 3.07Å
694	L	95	Very high	94.7	Very high	114 Å²	114	94.5 Å²	94.5	60%	0.597	50%	0.495	S	S	*	.	H	α-helix	trans	-58.1	-33.5	175.4	-74.9	170.7	0	0	0	112.9	E690 K698	E690-L694 WeakPolarHBondContact O-CB 3.41Å; E690-L694 VanDerWaalsContact O-CG 3.26Å; E690-L694 WeakPolarHBondContact O-CG 3.23Å; E690-L694 PolarHBondContact O-N 3.23Å; L694-K698 WeakPolarHBondContact O-CB 3.43Å; L694-K698 PolarHBondContact O-N 3.28Å
695	K	95.3	Very high	94.7	Very high	105 Å²	105	95.7 Å²	95.7	46%	0.457	50%	0.498	S	S	.	.	H	α-helix	trans	-69.1	-42.7	172.8	179.5	-173.3	165.7	-162.8	0	111.5	L691 Q692 D693 D697 K698 E699	L691-K695 VanDerWaalsContact O-CB 3.3Å; L691-K695 WeakPolarHBondContact O-CB 3.44Å; L691-K695 PolarHBondContact O-N 3.42Å; Q692-K695 PolarHBondContact O-N 3.46Å; D693-K695 PolarHBondContact O-N 3.01Å; K695-D697 VanDerWaalsContact C-N 3.31Å; K695-D697 PolarHBondContact O-N 3.24Å; K695-K698 WeakPolarHBondContact O-CB 3.36Å; K695-K698 PolarHBondContact O-N 3.32Å; K695-E699 WeakPolarHBondContact CE-OE1 3.3Å; K695-E699 WeakPolarHBondContact O-CG 3.24Å; K695-E699 PolarHBondContact O-N 3.39Å
696	S	95.6	Very high	94.6	Very high	44 Å²	44	97.5 Å²	97.5	31%	0.308	51%	0.511	S	S	.	.	H	α-helix	trans	-61.6	-41.3	175.9	86.8	0	0	0	0	111.3	Q692 D693 E699 N700	Q692-S696 PolarHBondContact O-N 2.64Å; D693-S696 WeakPolarHBondContact O-CA 3.34Å; D693-S696 WeakPolarHBondContact O-CB 3.26Å; D693-S696 PolarHBondContact O-N 3.35Å; D693-S696 PolarHBondContact O-OG 2.85Å; S696-E699 CarbonylContact O-C 3.59Å; S696-E699 PolarHBondContact O-N 3.31Å; S696-E699 VanDerWaalsContact O-N 3.16Å; S696-N700 WeakPolarHBondContact O-CB 3.46Å; S696-N700 PolarHBondContact O-N 2.67Å; S696-N700 PolarHBondContact O-ND2 2.76Å; S696-N700 VanDerWaalsContact O-ND2 3.17Å; S696-N700 PolarHBondContact O-OD1 3.45Å
697	D	94.8	Very high	94.4	Very high	92 Å²	92	100.5 Å²	100.5	49%	0.492	52%	0.518	S	S	.	.	H	α-helix	trans	-65.8	-39	175.7	-95.3	-8.4	0	0	0	112.6	D693 K695 E699 N700 L701	D693-D697 PolarHBondContact O-N 3.07Å; K695-D697 VanDerWaalsContact C-N 3.31Å; K695-D697 PolarHBondContact O-N 3.24Å; D697-E699 VanDerWaalsContact C-N 3.31Å; D697-E699 PolarHBondContact O-N 2.8Å; D697-N700 PolarHBondContact O-N 3.15Å; D697-L701 WeakPolarHBondContact O-CB 3.49Å; D697-L701 VanDerWaalsContact O-CG 3.26Å; D697-L701 WeakPolarHBondContact O-CG 3.34Å; D697-L701 PolarHBondContact O-N 2.87Å
698	K	93.5	Very high	94.4	Very high	161 Å²	161	105.4 Å²	105.4	70%	0.7	53%	0.528	S	S	*	.	H	α-helix	trans	-59.8	-40.7	171.3	-179.8	-177.8	176.6	-178	0	111.9	L694 K695 G702	L694-K698 WeakPolarHBondContact O-CB 3.43Å; L694-K698 PolarHBondContact O-N 3.28Å; K695-K698 WeakPolarHBondContact O-CB 3.36Å; K695-K698 PolarHBondContact O-N 3.32Å; K698-G702 PolarHBondContact O-N 3.41Å
699	E	95.6	Very high	94.3	Very high	111 Å²	111	106 Å²	106	52%	0.519	53%	0.529	S	S	.	.	H	α-helix	trans	-70.8	-37.2	176	-70.5	175.3	-158.5	0	0	111.9	K695 S696 D697 G702 R703	K695-E699 WeakPolarHBondContact CE-OE1 3.3Å; K695-E699 WeakPolarHBondContact O-CG 3.24Å; K695-E699 PolarHBondContact O-N 3.39Å; S696-E699 CarbonylContact O-C 3.59Å; S696-E699 PolarHBondContact O-N 3.31Å; S696-E699 VanDerWaalsContact O-N 3.16Å; D697-E699 VanDerWaalsContact C-N 3.31Å; D697-E699 PolarHBondContact O-N 2.8Å; E699-G702 PolarHBondContact O-N 2.85Å; E699-R703 WeakPolarHBondContact O-CG 3.38Å; E699-R703 PolarHBondContact O-N 3.28Å
700	N	94.1	Very high	94.3	Very high	64 Å²	64	106.9 Å²	106.9	34%	0.342	53%	0.531	S	S	.	.	H	α-helix	trans	-62.5	-49.3	173.3	-65.9	-27.6	0	0	0	111.9	S696 D697 G702 R703 A704	S696-N700 WeakPolarHBondContact O-CB 3.46Å; S696-N700 PolarHBondContact O-N 2.67Å; S696-N700 PolarHBondContact O-ND2 2.76Å; S696-N700 VanDerWaalsContact O-ND2 3.17Å; S696-N700 PolarHBondContact O-OD1 3.45Å; D697-N700 PolarHBondContact O-N 3.15Å; N700-G702 VanDerWaalsContact C-N 3.33Å; N700-G702 PolarHBondContact O-N 3.1Å; N700-R703 PolarHBondContact O-N 3.07Å; N700-R703 PolarHBondContact OD1-NH2 3.01Å; N700-A704 WeakPolarHBondContact O-CB 3.17Å; N700-A704 PolarHBondContact O-N 3.01Å
701	L	93.9	Very high	94.1	Very high	114 Å²	114	107.2 Å²	107.2	60%	0.597	53%	0.53	S	S	*	.	H	α-helix	trans	-63.3	-38.9	175.7	-70.2	169.2	0	0	0	111.5	D697 A704 L705	D697-L701 WeakPolarHBondContact O-CB 3.49Å; D697-L701 VanDerWaalsContact O-CG 3.26Å; D697-L701 WeakPolarHBondContact O-CG 3.34Å; D697-L701 PolarHBondContact O-N 2.87Å; L701-A704 PolarHBondContact O-N 3.34Å; L701-L705 WeakPolarHBondContact O-CB 3.43Å; L701-L705 VanDerWaalsContact O-CG 3.3Å; L701-L705 WeakPolarHBondContact O-CG 3.26Å; L701-L705 PolarHBondContact O-N 2.94Å
702	G	93.4	Very high	94	Very high	38 Å²	38	108.1 Å²	108.1	39%	0.392	53%	0.526	S	S	.	.	H	α-helix	trans	-58.8	-46.5	172.9	0	0	0	0	0	112.7	K698 E699 N700 L705 A706	K698-G702 PolarHBondContact O-N 3.41Å; E699-G702 PolarHBondContact O-N 2.85Å; N700-G702 VanDerWaalsContact C-N 3.33Å; N700-G702 PolarHBondContact O-N 3.1Å; G702-L705 PolarHBondContact O-N 2.87Å; G702-A706 WeakPolarHBondContact O-CB 3.39Å; G702-A706 PolarHBondContact O-N 2.98Å
703	R	94.5	Very high	93.8	Very high	163 Å²	163	107.5 Å²	107.5	62%	0.615	52%	0.524	S	S	*	.	H	α-helix	trans	-62.2	-46.8	174.3	-72.2	-172.7	-71.3	170.8	-3.6	111.9	E699 N700 L705 A706 E707	E699-R703 WeakPolarHBondContact O-CG 3.38Å; E699-R703 PolarHBondContact O-N 3.28Å; N700-R703 PolarHBondContact O-N 3.07Å; N700-R703 PolarHBondContact OD1-NH2 3.01Å; R703-L705 VanDerWaalsContact C-N 3.33Å; R703-L705 PolarHBondContact O-N 3.33Å; R703-A706 PolarHBondContact O-N 2.8Å; R703-E707 PolarHBondContact O-N 3.11Å
704	A	93.4	Very high	93.5	Very high	52 Å²	52	104.7 Å²	104.7	43%	0.43	52%	0.516	S	S	.	.	H	α-helix	trans	-62.1	-37.5	178.9	0	0	0	0	0	113	N700 L701 R708	N700-A704 WeakPolarHBondContact O-CB 3.17Å; N700-A704 PolarHBondContact O-N 3.01Å; L701-A704 PolarHBondContact O-N 3.34Å; A704-R708 WeakPolarHBondContact O-CB 3.43Å; A704-R708 PolarHBondContact O-N 3.34Å
705	L	91.9	Very high	93.2	Very high	99 Å²	99	104.9 Å²	104.9	52%	0.518	51%	0.514	S	S	.	.	H	α-helix	trans	-69.1	-41.2	173.8	-73.3	171.3	0	0	0	112.1	L701 G702 R703 R708 K709	L701-L705 WeakPolarHBondContact O-CB 3.43Å; L701-L705 VanDerWaalsContact O-CG 3.3Å; L701-L705 WeakPolarHBondContact O-CG 3.26Å; L701-L705 PolarHBondContact O-N 2.94Å; G702-L705 PolarHBondContact O-N 2.87Å; R703-L705 VanDerWaalsContact C-N 3.33Å; R703-L705 PolarHBondContact O-N 3.33Å; L705-R708 PolarHBondContact O-N 3.26Å; L705-K709 WeakPolarHBondContact O-CB 3.43Å; L705-K709 PolarHBondContact O-N 3.44Å
706	A	93.3	Very high	92.9	Very high	61 Å²	61	106.5 Å²	106.5	50%	0.504	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-41.7	175.2	0	0	0	0	0	111.9	G702 R703 K709 K710	G702-A706 WeakPolarHBondContact O-CB 3.39Å; G702-A706 PolarHBondContact O-N 2.98Å; R703-A706 PolarHBondContact O-N 2.8Å; A706-K709 PolarHBondContact O-N 2.81Å; A706-K710 WeakPolarHBondContact O-CB 3.36Å; A706-K710 PolarHBondContact O-N 2.89Å
707	E	93.9	Very high	92.6	Very high	106 Å²	106	110.1 Å²	110.1	50%	0.495	53%	0.529	S	S	.	.	H	α-helix	trans	-62.5	-46.3	172.3	-83.3	-167.8	-143.9	0	0	112.9	R703 K709 K710 K711	R703-E707 PolarHBondContact O-N 3.11Å; E707-K709 VanDerWaalsContact C-N 3.29Å; E707-K709 PolarHBondContact O-N 3.45Å; E707-K710 PolarHBondContact O-N 3.47Å; E707-K711 WeakPolarHBondContact O-CB 3.43Å; E707-K711 WeakPolarHBondContact O-CG 3.38Å; E707-K711 PolarHBondContact O-N 2.74Å; E707-K711 IonicContact OE2-NZ 2.89Å; E707-K711 PolarHBondContact OE2-NZ 2.74Å
708	R	93.5	Very high	92.4	Very high	176 Å²	176	110.8 Å²	110.8	66%	0.664	53%	0.529	S	S	*	.	H	α-helix	trans	-60.3	-41.4	177.5	-177.6	175.9	-74.2	142.4	-2.4	110.9	A704 L705 K711 W712	A704-R708 WeakPolarHBondContact O-CB 3.43Å; A704-R708 PolarHBondContact O-N 3.34Å; L705-R708 PolarHBondContact O-N 3.26Å; R708-K711 PolarHBondContact O-N 2.89Å; R708-W712 PolarHBondContact O-N 3.14Å
709	K	93	Very high	91.9	Very high	138 Å²	138	107.5 Å²	107.5	60%	0.6	51%	0.512	S	S	*	.	H	α-helix	trans	-61.5	-46.8	173.4	-174.9	-179.4	176.6	-177.5	0	111.7	L705 A706 E707 K711 W712 Q713	L705-K709 WeakPolarHBondContact O-CB 3.43Å; L705-K709 PolarHBondContact O-N 3.44Å; A706-K709 PolarHBondContact O-N 2.81Å; E707-K709 VanDerWaalsContact C-N 3.29Å; E707-K709 PolarHBondContact O-N 3.45Å; K709-K711 PolarHBondContact O-N 3.14Å; K709-W712 PolarHBondContact O-N 3Å; K709-Q713 WeakPolarHBondContact O-CB 3.48Å; K709-Q713 WeakPolarHBondContact O-CG 3.49Å; K709-Q713 PolarHBondContact O-N 3.35Å
710	K	94.6	Very high	91.4	Very high	159 Å²	159	106.5 Å²	106.5	69%	0.691	51%	0.51	S	S	*	.	H	α-helix	trans	-62	-42.2	177.3	-174.3	178.5	179	-178.9	0	112.1	A706 E707 Q713 A714	A706-K710 WeakPolarHBondContact O-CB 3.36Å; A706-K710 PolarHBondContact O-N 2.89Å; E707-K710 PolarHBondContact O-N 3.47Å; K710-Q713 PolarHBondContact O-N 2.99Å; K710-A714 WeakPolarHBondContact O-CB 3.38Å; K710-A714 PolarHBondContact O-N 3.35Å
711	K	93.3	Very high	91.2	Very high	132 Å²	132	109.3 Å²	109.3	57%	0.574	52%	0.521	S	S	*	.	H	α-helix	trans	-60.8	-49	176.2	-75.9	161.8	175.8	156.8	0	111.1	E707 R708 K709 Q713 A714 E715	E707-K711 WeakPolarHBondContact O-CB 3.43Å; E707-K711 WeakPolarHBondContact O-CG 3.38Å; E707-K711 PolarHBondContact O-N 2.74Å; E707-K711 IonicContact OE2-NZ 2.89Å; E707-K711 PolarHBondContact OE2-NZ 2.74Å; R708-K711 PolarHBondContact O-N 2.89Å; K709-K711 PolarHBondContact O-N 3.14Å; K711-Q713 PolarHBondContact O-N 2.97Å; K711-A714 PolarHBondContact O-N 2.87Å; K711-E715 WeakPolarHBondContact O-CB 3.48Å; K711-E715 PolarHBondContact O-N 3.36Å
712	W	90.2	Very high	90.9	Very high	124 Å²	124	107.5 Å²	107.5	47%	0.47	51%	0.509	S	S	.	.	H	α-helix	trans	-62.9	-38.2	175.9	-176.6	86.7	0	0	0	113.2	R708 K709 R716 L789	R708-W712 PolarHBondContact O-N 3.14Å; K709-W712 PolarHBondContact O-N 3Å; W712-R716 WeakPolarHBondContact O-CB 3.43Å; W712-R716 PolarHBondContact O-N 2.91Å; W712-L789 HydrophobicContact CZ2-CD1 4.48Å
713	Q	90.9	Very high	90.5	Very high	95 Å²	95	110.3 Å²	110.3	44%	0.444	52%	0.519	S	S	.	.	H	α-helix	trans	-65.1	-42.1	174.8	-73.6	179.6	-72.5	0	0	112.1	K709 K710 K711 R716 Q717	K709-Q713 WeakPolarHBondContact O-CB 3.48Å; K709-Q713 WeakPolarHBondContact O-CG 3.49Å; K709-Q713 PolarHBondContact O-N 3.35Å; K710-Q713 PolarHBondContact O-N 2.99Å; K711-Q713 PolarHBondContact O-N 2.97Å; Q713-R716 PolarHBondContact O-N 3.41Å; Q713-Q717 WeakPolarHBondContact O-CG 3.31Å; Q713-Q717 PolarHBondContact O-N 3.48Å
714	A	90.5	Very high	90.1	Very high	51 Å²	51	106.8 Å²	106.8	42%	0.421	51%	0.509	S	S	.	.	H	α-helix	trans	-68.3	-40.4	177	0	0	0	0	0	112.4	K710 K711 R716 Q717 H718	K710-A714 WeakPolarHBondContact O-CB 3.38Å; K710-A714 PolarHBondContact O-N 3.35Å; K711-A714 PolarHBondContact O-N 2.87Å; A714-R716 VanDerWaalsContact C-N 3.32Å; A714-R716 PolarHBondContact O-N 3.46Å; A714-Q717 PolarHBondContact O-N 3.18Å; A714-H718 PolarHBondContact O-N 2.61Å
715	E	88.8	Confident	90	Very high	118 Å²	118	110.5 Å²	110.5	55%	0.551	52%	0.518	S	S	*	.	H	α-helix	trans	-63.5	-38.4	174.5	-177.8	168.3	-154.3	0	0	111.7	K711 H718 R719	K711-E715 WeakPolarHBondContact O-CB 3.48Å; K711-E715 PolarHBondContact O-N 3.36Å; E715-H718 PolarHBondContact O-N 3.42Å; E715-R719 WeakPolarHBondContact O-CG 3.27Å; E715-R719 PolarHBondContact O-N 2.92Å
716	R	88.3	Confident	89.6	Confident	138 Å²	138	110.7 Å²	110.7	52%	0.521	52%	0.519	S	S	.	.	H	α-helix	trans	-64.2	-43.9	171.7	-176.5	176.5	-179.1	131.7	4.9	112.4	W712 Q713 A714 H718 R719 D720	W712-R716 WeakPolarHBondContact O-CB 3.43Å; W712-R716 PolarHBondContact O-N 2.91Å; Q713-R716 PolarHBondContact O-N 3.41Å; A714-R716 VanDerWaalsContact C-N 3.32Å; A714-R716 PolarHBondContact O-N 3.46Å; R716-H718 VanDerWaalsContact C-N 3.31Å; R716-H718 PolarHBondContact O-N 2.86Å; R716-R719 WeakPolarHBondContact O-CB 3.45Å; R716-R719 PolarHBondContact O-N 3.02Å; R716-D720 PolarHBondContact O-N 2.98Å
717	Q	90.1	Very high	89.3	Confident	120 Å²	120	114.8 Å²	114.8	56%	0.561	52%	0.521	S	S	*	.	H	α-helix	trans	-60	-42.4	174.9	-74.1	172.8	-49.1	0	0	111.2	Q713 A714 R719 D720 E721	Q713-Q717 WeakPolarHBondContact O-CG 3.31Å; Q713-Q717 PolarHBondContact O-N 3.48Å; A714-Q717 PolarHBondContact O-N 3.18Å; Q717-R719 PolarHBondContact O-N 2.67Å; Q717-D720 PolarHBondContact O-N 2.76Å; Q717-E721 WeakPolarHBondContact O-CB 3.38Å; Q717-E721 WeakPolarHBondContact O-CG 3.24Å; Q717-E721 PolarHBondContact O-N 2.78Å
718	H	88.9	Confident	89	Confident	106 Å²	106	114.7 Å²	114.7	49%	0.491	52%	0.516	S	S	.	.	H	α-helix	trans	-62.2	-41.4	174.7	-168.6	-76	0	0	0	112.6	A714 E715 R716 E721 E722	A714-H718 PolarHBondContact O-N 2.61Å; E715-H718 PolarHBondContact O-N 3.42Å; R716-H718 VanDerWaalsContact C-N 3.31Å; R716-H718 PolarHBondContact O-N 2.86Å; H718-E721 PolarHBondContact O-N 3.36Å; H718-E722 IonicContact CE1-OE1 3.05Å; H718-E722 PolarHBondContact CE1-OE1 3.3Å; H718-E722 IonicContact ND1-OE1 3.99Å; H718-E722 PolarHBondContact ND1-OE1 2.91Å; H718-E722 VanDerWaalsContact ND1-OE1 3.14Å; H718-E722 WeakPolarHBondContact O-CB 3.37Å; H718-E722 VanDerWaalsContact O-CG 3.3Å; H718-E722 WeakPolarHBondContact O-CG 3.41Å; H718-E722 PolarHBondContact O-N 3.17Å
719	R	83.2	Confident	88.7	Confident	93 Å²	93	108.4 Å²	108.4	35%	0.351	50%	0.5	S	S	.	.	H	α-helix	trans	-60.1	-45.3	172.2	-73.5	-82	95.1	89.7	3.1	111.9	E715 R716 Q717 E722 V723	E715-R719 WeakPolarHBondContact O-CG 3.27Å; E715-R719 PolarHBondContact O-N 2.92Å; R716-R719 WeakPolarHBondContact O-CB 3.45Å; R716-R719 PolarHBondContact O-N 3.02Å; Q717-R719 PolarHBondContact O-N 2.67Å; R719-E722 IonicContact CZ-OE1 2.8Å; R719-E722 IonicContact CZ-OE2 3.27Å; R719-E722 IonicContact NE-OE2 2.79Å; R719-E722 PolarHBondContact NE-OE2 3.46Å; R719-E722 IonicContact NH2-OE1 2.61Å; R719-E722 PolarHBondContact NH2-OE1 2.8Å; R719-E722 IonicContact NH2-OE2 3.64Å; R719-E722 PolarHBondContact NH2-OE2 2.83Å; R719-V723 VanDerWaalsContact O-CG2 3.3Å; R719-V723 WeakPolarHBondContact O-CG2 3.29Å; R719-V723 PolarHBondContact O-N 2.81Å
720	D	86.4	Confident	88	Confident	89 Å²	89	103.4 Å²	103.4	48%	0.476	48%	0.482	S	S	.	.	H	α-helix	trans	-67	-37	179.4	-69.5	-33.7	0	0	0	111.1	R716 Q717 V723 E724	R716-D720 PolarHBondContact O-N 2.98Å; Q717-D720 PolarHBondContact O-N 2.76Å; D720-V723 PolarHBondContact O-N 2.61Å; D720-E724 PolarHBondContact O-N 2.76Å
721	E	90.1	Very high	87.7	Confident	124 Å²	124	99.3 Å²	99.3	58%	0.579	47%	0.465	S	S	*	.	H	α-helix	trans	-67.9	-42.9	174.3	-75.8	175.4	-174.3	0	0	113.3	Q717 H718 V723 E724 E725	Q717-E721 WeakPolarHBondContact O-CB 3.38Å; Q717-E721 WeakPolarHBondContact O-CG 3.24Å; Q717-E721 PolarHBondContact O-N 2.78Å; H718-E721 PolarHBondContact O-N 3.36Å; E721-V723 VanDerWaalsContact C-N 3.34Å; E721-V723 PolarHBondContact O-N 2.76Å; E721-E724 PolarHBondContact O-N 3.35Å; E721-E725 PolarHBondContact O-N 3.41Å
722	E	87.9	Confident	87.5	Confident	75 Å²	75	99.7 Å²	99.7	35%	0.35	47%	0.469	S	S	.	.	H	α-helix	trans	-57.7	-45.2	171.6	-78.3	171.6	168.7	0	0	111.4	H718 R719 E725 L726	H718-E722 IonicContact CE1-OE1 3.05Å; H718-E722 PolarHBondContact CE1-OE1 3.3Å; H718-E722 IonicContact ND1-OE1 3.99Å; H718-E722 PolarHBondContact ND1-OE1 2.91Å; H718-E722 VanDerWaalsContact ND1-OE1 3.14Å; H718-E722 WeakPolarHBondContact O-CB 3.37Å; H718-E722 VanDerWaalsContact O-CG 3.3Å; H718-E722 WeakPolarHBondContact O-CG 3.41Å; H718-E722 PolarHBondContact O-N 3.17Å; R719-E722 IonicContact CZ-OE1 2.8Å; R719-E722 IonicContact CZ-OE2 3.27Å; R719-E722 IonicContact NE-OE2 2.79Å; R719-E722 PolarHBondContact NE-OE2 3.46Å; R719-E722 IonicContact NH2-OE1 2.61Å; R719-E722 PolarHBondContact NH2-OE1 2.8Å; R719-E722 IonicContact NH2-OE2 3.64Å; R719-E722 PolarHBondContact NH2-OE2 2.83Å; E722-E725 PolarHBondContact O-N 2.99Å; E722-L726 WeakPolarHBondContact O-CB 3.48Å; E722-L726 PolarHBondContact O-N 3.43Å
723	V	83.3	Confident	87.2	Confident	98 Å²	98	99.6 Å²	99.6	59%	0.594	47%	0.474	S	S	*	.	H	α-helix	trans	-65.8	-40.3	178.5	167.9	0	0	0	0	110.9	R719 D720 E721 R727	R719-V723 VanDerWaalsContact O-CG2 3.3Å; R719-V723 WeakPolarHBondContact O-CG2 3.29Å; R719-V723 PolarHBondContact O-N 2.81Å; D720-V723 PolarHBondContact O-N 2.61Å; E721-V723 VanDerWaalsContact C-N 3.34Å; E721-V723 PolarHBondContact O-N 2.76Å; V723-R727 WeakPolarHBondContact O-CB 3.47Å; V723-R727 PolarHBondContact O-N 2.7Å
724	E	87.8	Confident	86.6	Confident	88 Å²	88	97.3 Å²	97.3	41%	0.411	47%	0.465	S	S	.	.	H	α-helix	trans	-64.2	-42.3	171.9	-80	-127.4	145.3	0	0	112.7	D720 E721 R727 R728	D720-E724 PolarHBondContact O-N 2.76Å; E721-E724 PolarHBondContact O-N 3.35Å; E724-R727 WeakPolarHBondContact O-CB 3.48Å; E724-R727 PolarHBondContact O-N 2.91Å; E724-R728 VanDerWaalsContact CB-NH2 3.26Å; E724-R728 VanDerWaalsContact O-CG 3.26Å; E724-R728 WeakPolarHBondContact O-CG 3.16Å; E724-R728 PolarHBondContact O-N 3.46Å; E724-R728 IonicContact OE2-CZ 2.87Å; E724-R728 IonicContact OE2-NE 2.74Å; E724-R728 IonicContact OE2-NH2 2.61Å; E724-R728 PolarHBondContact OE2-NH2 3.22Å
725	E	91.1	Very high	86.2	Confident	130 Å²	130	98.1 Å²	98.1	61%	0.607	46%	0.462	S	S	*	.	H	α-helix	trans	-64.8	-43.1	178.5	-177.2	162.6	-124.8	0	0	111.5	E721 E722 R727 R728 S729	E721-E725 PolarHBondContact O-N 3.41Å; E722-E725 PolarHBondContact O-N 2.99Å; E725-R727 VanDerWaalsContact C-N 3.26Å; E725-R727 PolarHBondContact O-N 3.02Å; E725-R728 PolarHBondContact O-N 3.14Å; E725-R728 VanDerWaalsContact O-N 3.09Å; E725-S729 PolarHBondContact O-N 2.95Å; E725-S729 PolarHBondContact O-OG 3.4Å
726	L	83.3	Confident	86.1	Confident	103 Å²	103	95.4 Å²	95.4	54%	0.539	46%	0.456	S	S	.	.	H	α-helix	trans	-61.1	-35.8	173.3	-173.1	62	0	0	0	111.9	E722 S729 S730 M774	E722-L726 WeakPolarHBondContact O-CB 3.48Å; E722-L726 PolarHBondContact O-N 3.43Å; L726-S729 WeakPolarHBondContact CA-OG 3.4Å; L726-S729 PolarHBondContact O-OG 2.95Å; L726-S729 VanDerWaalsContact O-OG 3.13Å; L726-S730 VanDerWaalsContact O-CB 3.24Å; L726-S730 WeakPolarHBondContact O-CB 3.35Å; L726-S730 PolarHBondContact O-N 3.35Å; L726-M774 HydrophobicContact CD2-CE 4.48Å
727	R	85.9	Confident	85.8	Confident	147 Å²	147	92.6 Å²	92.6	56%	0.555	45%	0.451	S	S	*	.	H	α-helix	trans	-67.3	-40.6	172.3	-168.2	-171	68.8	76.2	-4.2	111.9	V723 E724 E725 Q731	V723-R727 WeakPolarHBondContact O-CB 3.47Å; V723-R727 PolarHBondContact O-N 2.7Å; E724-R727 WeakPolarHBondContact O-CB 3.48Å; E724-R727 PolarHBondContact O-N 2.91Å; E725-R727 VanDerWaalsContact C-N 3.26Å; E725-R727 PolarHBondContact O-N 3.02Å; R727-Q731 VanDerWaalsContact O-CB 3.29Å; R727-Q731 WeakPolarHBondContact O-CB 3.37Å; R727-Q731 PolarHBondContact O-N 3.27Å
728	R	88.9	Confident	85.3	Confident	104 Å²	104	92.5 Å²	92.5	39%	0.392	45%	0.445	S	S	.	.	H	α-helix	trans	-67.1	-45.7	178.1	-69.9	173	-141.2	130.8	-5.1	111.3	E724 E725 Q731 Q732	E724-R728 VanDerWaalsContact CB-NH2 3.26Å; E724-R728 VanDerWaalsContact O-CG 3.26Å; E724-R728 WeakPolarHBondContact O-CG 3.16Å; E724-R728 PolarHBondContact O-N 3.46Å; E724-R728 IonicContact OE2-CZ 2.87Å; E724-R728 IonicContact OE2-NE 2.74Å; E724-R728 IonicContact OE2-NH2 2.61Å; E724-R728 PolarHBondContact OE2-NH2 3.22Å; E725-R728 PolarHBondContact O-N 3.14Å; E725-R728 VanDerWaalsContact O-N 3.09Å; R728-Q731 PolarHBondContact O-N 2.73Å; R728-Q732 WeakPolarHBondContact O-CG 3.33Å; R728-Q732 PolarHBondContact O-N 2.84Å
729	S	87.3	Confident	84.9	Confident	45 Å²	45	88.9 Å²	88.9	32%	0.315	43%	0.433	S	S	.	.	H	α-helix	trans	-66.2	-46.6	178.4	60.9	0	0	0	0	111.6	E725 L726 Q731 Q732 E733	E725-S729 PolarHBondContact O-N 2.95Å; E725-S729 PolarHBondContact O-OG 3.4Å; L726-S729 WeakPolarHBondContact CA-OG 3.4Å; L726-S729 PolarHBondContact O-OG 2.95Å; L726-S729 VanDerWaalsContact O-OG 3.13Å; S729-Q731 VanDerWaalsContact C-N 3.29Å; S729-Q731 PolarHBondContact O-N 2.73Å; S729-Q732 WeakPolarHBondContact O-CB 3.36Å; S729-Q732 PolarHBondContact O-N 3.34Å; S729-Q732 VanDerWaalsContact O-N 3.07Å; S729-E733 PolarHBondContact O-N 3.4Å
730	S	78	Confident	84.6	Confident	32 Å²	32	89.5 Å²	89.5	22%	0.224	44%	0.441	C	S	.	.	H	α-helix	trans	-60.7	-37	174.9	-169.6	0	0	0	0	112.5	L726 E733 L734	L726-S730 VanDerWaalsContact O-CB 3.24Å; L726-S730 WeakPolarHBondContact O-CB 3.35Å; L726-S730 PolarHBondContact O-N 3.35Å; S730-E733 PolarHBondContact O-N 3.42Å; S730-L734 WeakPolarHBondContact O-CB 3.37Å; S730-L734 VanDerWaalsContact O-CG 3.31Å; S730-L734 WeakPolarHBondContact O-CG 3.39Å; S730-L734 PolarHBondContact O-N 3.06Å
731	Q	87.3	Confident	83.9	Confident	74 Å²	74	87.9 Å²	87.9	35%	0.346	43%	0.431	S	S	.	.	H	α-helix	trans	-64.7	-40.9	173.4	-175.8	55.7	60.6	0	0	112.3	R727 R728 S729 L734 D735 R738	R727-Q731 VanDerWaalsContact O-CB 3.29Å; R727-Q731 WeakPolarHBondContact O-CB 3.37Å; R727-Q731 PolarHBondContact O-N 3.27Å; R728-Q731 PolarHBondContact O-N 2.73Å; S729-Q731 VanDerWaalsContact C-N 3.29Å; S729-Q731 PolarHBondContact O-N 2.73Å; Q731-L734 PolarHBondContact O-N 3.29Å; Q731-D735 VanDerWaalsContact NE2-CG 3.31Å; Q731-D735 PolarHBondContact NE2-OD2 3.47Å; Q731-D735 PolarHBondContact O-N 3.26Å; Q731-R738 VanDerWaalsContact NE2-NH1 3.13Å
732	Q	89.4	Confident	83.1	Confident	140 Å²	140	89.1 Å²	89.1	65%	0.654	43%	0.431	S	S	*	.	H	α-helix	trans	-65.5	-40.8	175.5	-71.1	173.7	15.3	0	0	112.2	R728 S729 D735 S736	R728-Q732 WeakPolarHBondContact O-CG 3.33Å; R728-Q732 PolarHBondContact O-N 2.84Å; S729-Q732 WeakPolarHBondContact O-CB 3.36Å; S729-Q732 PolarHBondContact O-N 3.34Å; S729-Q732 VanDerWaalsContact O-N 3.07Å; Q732-D735 PolarHBondContact O-N 2.9Å; Q732-S736 WeakPolarHBondContact O-CB 3.4Å; Q732-S736 PolarHBondContact O-N 2.89Å
733	E	84.2	Confident	82.5	Confident	121 Å²	121	92.8 Å²	92.8	57%	0.565	45%	0.446	S	S	*	.	H	α-helix	trans	-60.5	-48.6	173.1	-72.6	-176.3	165.8	0	0	111.2	S729 S730 D735 S736 L737	S729-E733 PolarHBondContact O-N 3.4Å; S730-E733 PolarHBondContact O-N 3.42Å; E733-D735 VanDerWaalsContact C-N 3.32Å; E733-D735 PolarHBondContact O-N 3.33Å; E733-S736 WeakPolarHBondContact O-CB 3.42Å; E733-S736 PolarHBondContact O-N 2.95Å; E733-L737 WeakPolarHBondContact O-CB 3.45Å; E733-L737 WeakPolarHBondContact O-CG 3.5Å; E733-L737 PolarHBondContact O-N 3.07Å
734	L	77.4	Confident	81.7	Confident	48 Å²	48	89.4 Å²	89.4	25%	0.251	43%	0.428	S	S	.	.	H	α-helix	trans	-58.3	-42.4	176.3	-74.6	170.8	0	0	0	111.8	S730 Q731 L737 R738	S730-L734 WeakPolarHBondContact O-CB 3.37Å; S730-L734 VanDerWaalsContact O-CG 3.31Å; S730-L734 WeakPolarHBondContact O-CG 3.39Å; S730-L734 PolarHBondContact O-N 3.06Å; Q731-L734 PolarHBondContact O-N 3.29Å; L734-L737 PolarHBondContact O-N 2.77Å; L734-R738 VanDerWaalsContact O-CB 3.3Å; L734-R738 WeakPolarHBondContact O-CB 3.3Å; L734-R738 VanDerWaalsContact O-CD 3.29Å; L734-R738 WeakPolarHBondContact O-CD 3.41Å; L734-R738 WeakPolarHBondContact O-CG 3.48Å; L734-R738 PolarHBondContact O-N 2.89Å
735	D	83.6	Confident	80.6	Confident	68 Å²	68	94 Å²	94	36%	0.364	44%	0.441	S	S	.	.	H	α-helix	trans	-74.2	-30.1	178.9	-74.2	-36.1	0	0	0	113.7	Q731 Q732 E733 R738 A739	Q731-D735 VanDerWaalsContact NE2-CG 3.31Å; Q731-D735 PolarHBondContact NE2-OD2 3.47Å; Q731-D735 PolarHBondContact O-N 3.26Å; Q732-D735 PolarHBondContact O-N 2.9Å; E733-D735 VanDerWaalsContact C-N 3.32Å; E733-D735 PolarHBondContact O-N 3.33Å; D735-R738 VanDerWaalsContact OD1-CD 3.25Å; D735-R738 WeakPolarHBondContact OD1-CD 3.17Å; D735-R738 IonicContact OD1-CZ 3.44Å; D735-R738 IonicContact OD1-NE 2.67Å; D735-R738 IonicContact OD1-NH1 2.76Å; D735-R738 PolarHBondContact OD1-NH1 2.9Å; D735-R738 IonicContact OD2-NH1 3.6Å; D735-A739 VanDerWaalsContact O-CB 3.31Å; D735-A739 WeakPolarHBondContact O-CB 3.24Å; D735-A739 PolarHBondContact O-N 2.81Å
736	S	85.5	Confident	79.2	Confident	61 Å²	61	93.5 Å²	93.5	43%	0.427	45%	0.448	S	S	.	.	H	α-helix	trans	-64	-49.4	167.6	-179.4	0	0	0	0	111.4	Q732 E733 R738 A739 Q740	Q732-S736 WeakPolarHBondContact O-CB 3.4Å; Q732-S736 PolarHBondContact O-N 2.89Å; E733-S736 WeakPolarHBondContact O-CB 3.42Å; E733-S736 PolarHBondContact O-N 2.95Å; S736-R738 PolarHBondContact O-N 3.08Å; S736-A739 CarbonylContact O-C 3.57Å; S736-A739 WeakPolarHBondContact O-CA 3.36Å; S736-A739 WeakPolarHBondContact O-CB 3.26Å; S736-A739 PolarHBondContact O-N 3.27Å; S736-Q740 WeakPolarHBondContact O-CG 3.34Å; S736-Q740 PolarHBondContact O-N 3.49Å; S736-Q740 PolarHBondContact OG-NE2 2.76Å
737	L	81.8	Confident	78	Confident	78 Å²	78	93 Å²	93	41%	0.408	45%	0.451	S	S	.	.	H	α-helix	trans	-62.5	-43.1	176.7	-70.7	170.2	0	0	0	111.4	E733 L734 A739 Q740 L741	E733-L737 WeakPolarHBondContact O-CB 3.45Å; E733-L737 WeakPolarHBondContact O-CG 3.5Å; E733-L737 PolarHBondContact O-N 3.07Å; L734-L737 PolarHBondContact O-N 2.77Å; L737-A739 VanDerWaalsContact C-N 3.26Å; L737-A739 PolarHBondContact O-N 2.95Å; L737-Q740 PolarHBondContact O-N 3.23Å; L737-L741 WeakPolarHBondContact O-CB 3.44Å; L737-L741 PolarHBondContact O-N 3.14Å
738	R	80.6	Confident	76.5	Confident	118 Å²	118	92.3 Å²	92.3	45%	0.445	47%	0.469	S	S	.	.	H	α-helix	trans	-59.7	-34.8	171.7	-71.8	160.1	-179.8	166	1.9	112	Q731 L734 D735 S736 R742	Q731-R738 VanDerWaalsContact NE2-NH1 3.13Å; L734-R738 VanDerWaalsContact O-CB 3.3Å; L734-R738 WeakPolarHBondContact O-CB 3.3Å; L734-R738 VanDerWaalsContact O-CD 3.29Å; L734-R738 WeakPolarHBondContact O-CD 3.41Å; L734-R738 WeakPolarHBondContact O-CG 3.48Å; L734-R738 PolarHBondContact O-N 2.89Å; D735-R738 VanDerWaalsContact OD1-CD 3.25Å; D735-R738 WeakPolarHBondContact OD1-CD 3.17Å; D735-R738 IonicContact OD1-CZ 3.44Å; D735-R738 IonicContact OD1-NE 2.67Å; D735-R738 IonicContact OD1-NH1 2.76Å; D735-R738 PolarHBondContact OD1-NH1 2.9Å; D735-R738 IonicContact OD2-NH1 3.6Å; S736-R738 PolarHBondContact O-N 3.08Å; R738-R742 WeakPolarHBondContact O-CB 3.42Å; R738-R742 WeakPolarHBondContact O-CG 3.42Å; R738-R742 PolarHBondContact O-N 3.46Å; R738-R742 PolarHBondContact O-NE 2.85Å
739	A	79.3	Confident	75	Confident	30 Å²	30	92.6 Å²	92.6	25%	0.248	48%	0.479	C	S	.	.	H	α-helix	trans	-74.7	-35.9	176.3	0	0	0	0	0	112.4	D735 S736 L737 R742 K743	D735-A739 VanDerWaalsContact O-CB 3.31Å; D735-A739 WeakPolarHBondContact O-CB 3.24Å; D735-A739 PolarHBondContact O-N 2.81Å; S736-A739 CarbonylContact O-C 3.57Å; S736-A739 WeakPolarHBondContact O-CA 3.36Å; S736-A739 WeakPolarHBondContact O-CB 3.26Å; S736-A739 PolarHBondContact O-N 3.27Å; L737-A739 VanDerWaalsContact C-N 3.26Å; L737-A739 PolarHBondContact O-N 2.95Å; A739-R742 PolarHBondContact O-N 3.21Å; A739-K743 WeakPolarHBondContact O-CG 3.46Å; A739-K743 PolarHBondContact O-N 3.41Å
740	Q	76.8	Confident	73.7	Confident	107 Å²	107	95.2 Å²	95.2	50%	0.5	50%	0.497	S	S	.	.	H	α-helix	trans	-66.3	-45.2	172.2	-68.5	175.8	55.8	0	0	111.2	S736 L737 R742 K743 A744	S736-Q740 WeakPolarHBondContact O-CG 3.34Å; S736-Q740 PolarHBondContact O-N 3.49Å; S736-Q740 PolarHBondContact OG-NE2 2.76Å; L737-Q740 PolarHBondContact O-N 3.23Å; Q740-R742 VanDerWaalsContact C-N 3.33Å; Q740-R742 PolarHBondContact O-N 2.99Å; Q740-K743 WeakPolarHBondContact O-CB 3.35Å; Q740-K743 PolarHBondContact O-N 3.3Å; Q740-K743 VanDerWaalsContact O-N 3.09Å; Q740-A744 PolarHBondContact O-N 3Å
741	L	72.3	Confident	72.9	Confident	54 Å²	54	96.6 Å²	96.6	28%	0.283	51%	0.511	S	S	.	.	H	α-helix	trans	-62.2	-38.4	174.5	-172.7	64.4	0	0	0	111.9	L737 A744 R745	L737-L741 WeakPolarHBondContact O-CB 3.44Å; L737-L741 PolarHBondContact O-N 3.14Å; L741-A744 PolarHBondContact O-N 2.84Å; L741-R745 WeakPolarHBondContact O-CB 3.47Å; L741-R745 VanDerWaalsContact O-CG 3.32Å; L741-R745 WeakPolarHBondContact O-CG 3.23Å; L741-R745 PolarHBondContact O-N 3.33Å
742	R	74.4	Confident	71.7	Confident	150 Å²	150	94.8 Å²	94.8	57%	0.566	51%	0.508	S	S	*	.	H	α-helix	trans	-62.3	-37.5	171.4	-85.3	175.2	-83.4	139.7	-8.3	112.8	R738 A739 Q740	R738-R742 WeakPolarHBondContact O-CB 3.42Å; R738-R742 WeakPolarHBondContact O-CG 3.42Å; R738-R742 PolarHBondContact O-N 3.46Å; R738-R742 PolarHBondContact O-NE 2.85Å; A739-R742 PolarHBondContact O-N 3.21Å; Q740-R742 VanDerWaalsContact C-N 3.33Å; Q740-R742 PolarHBondContact O-N 2.99Å
743	K	75.3	Confident	70.7	Confident	152 Å²	152	91.7 Å²	91.7	66%	0.661	50%	0.502	S	S	*	.	H	α-helix	trans	-68	-48.1	172.4	-69.7	169	-178.9	178.2	0	111.4	A739 Q740 R745 T746	A739-K743 WeakPolarHBondContact O-CG 3.46Å; A739-K743 PolarHBondContact O-N 3.41Å; Q740-K743 WeakPolarHBondContact O-CB 3.35Å; Q740-K743 PolarHBondContact O-N 3.3Å; Q740-K743 VanDerWaalsContact O-N 3.09Å; K743-R745 VanDerWaalsContact C-N 3.31Å; K743-R745 PolarHBondContact O-N 3.37Å; K743-T746 PolarHBondContact O-N 3.04Å; K743-T746 PolarHBondContact O-OG1 3.19Å
744	A	65.6	Low	70	Confident	27 Å²	27	93.1 Å²	93.1	22%	0.223	51%	0.509	C	S	.	.	H	α-helix	trans	-59.2	-39	179.1	0	0	0	0	0	112.4	Q740 L741 T746 C747 L756	Q740-A744 PolarHBondContact O-N 3Å; L741-A744 PolarHBondContact O-N 2.84Å; A744-T746 PolarHBondContact O-N 2.96Å; A744-C747 PolarHBondContact O-N 2.94Å; A744-C747 VanDerWaalsContact O-N 3.13Å; A744-C747 PolarHBondContact O-SG 3.12Å; A744-L756 HydrophobicContact CB-CD1 4.3Å
745	R	64.5	Low	69.8	Low	184 Å²	184	97.4 Å²	97.4	69%	0.694	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	0.3	174.3	-72.4	176.7	-178.6	-172.4	1.1	114.9	L741 K743	L741-R745 WeakPolarHBondContact O-CB 3.47Å; L741-R745 VanDerWaalsContact O-CG 3.32Å; L741-R745 WeakPolarHBondContact O-CG 3.23Å; L741-R745 PolarHBondContact O-N 3.33Å; K743-R745 VanDerWaalsContact C-N 3.31Å; K743-R745 PolarHBondContact O-N 3.37Å
746	T	62.2	Low	69.1	Low	121 Å²	121	97.5 Å²	97.5	74%	0.742	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-6.8	173	65.7	0	0	0	0	114.8	K743 A744	K743-T746 PolarHBondContact O-N 3.04Å; K743-T746 PolarHBondContact O-OG1 3.19Å; A744-T746 PolarHBondContact O-N 2.96Å
747	C	58.3	Low	68.8	Low	91 Å²	91	98.2 Å²	98.2	62%	0.615	53%	0.533	S	S	*	.	S	Bend	trans	-91.3	120.1	166.3	54.2	0	0	0	0	110.5	A744 D749	A744-C747 PolarHBondContact O-N 2.94Å; A744-C747 VanDerWaalsContact O-N 3.13Å; A744-C747 PolarHBondContact O-SG 3.12Å; C747-D749 PolarHBondContact O-N 2.78Å
748	S	53.3	Low	68.6	Low	133 Å²	133	100.5 Å²	100.5	93%	0.93	54%	0.541	S	S	*	.			trans	-88.1	89.2	-172	170.7	0	0	0	0	112.2
749	D	57.6	Low	68.4	Low	110 Å²	110	99.9 Å²	99.9	59%	0.588	55%	0.546	S	S	*	.			trans	-140.4	133.6	160.4	-162.1	-21	0	0	0	110.9	C747 A751 A752	C747-D749 PolarHBondContact O-N 2.78Å; D749-A751 PolarHBondContact OD1-N 2.71Å; D749-A752 HydrophobicContact CB-CB 4.18Å
750	S	60.3	Low	68.3	Low	100 Å²	100	101.6 Å²	101.6	70%	0.699	55%	0.549	S	S	*	.	H	α-helix	trans	-74.6	-35.3	-174.3	-166	0	0	0	0	112.5	A752 S753	S750-A752 VanDerWaalsContact C-N 3.33Å; S750-S753 WeakPolarHBondContact O-CB 3.44Å; S750-S753 PolarHBondContact O-N 2.95Å
751	A	61.8	Low	68.4	Low	62 Å²	62	99.1 Å²	99.1	51%	0.512	55%	0.547	S	S	.	.	H	α-helix	trans	-70.5	-33.4	179.4	0	0	0	0	0	111.6	D749 S753 Q755	D749-A751 PolarHBondContact OD1-N 2.71Å; A751-S753 VanDerWaalsContact C-N 3.26Å; A751-S753 PolarHBondContact O-N 3.5Å; A751-Q755 PolarHBondContact O-N 3.33Å
752	A	62.6	Low	68.6	Low	36 Å²	36	101.6 Å²	101.6	30%	0.298	56%	0.557	S	S	.	*	H	α-helix	trans	-64	-31.2	173.2	0	0	0	0	0	112	D749 S750 Q755 L756	D749-A752 HydrophobicContact CB-CB 4.18Å; S750-A752 VanDerWaalsContact C-N 3.33Å; A752-Q755 PolarHBondContact O-N 3.39Å; A752-L756 VanDerWaalsContact O-CB 3.24Å; A752-L756 WeakPolarHBondContact O-CB 3.41Å; A752-L756 WeakPolarHBondContact O-CG 3.43Å; A752-L756 PolarHBondContact O-N 3.45Å
753	S	66.6	Low	68.9	Low	75 Å²	75	98.9 Å²	98.9	52%	0.524	55%	0.553	S	S	.	*	H	α-helix	trans	-67.9	-34.9	-178.9	-167.2	0	0	0	0	113.5	S750 A751 S757	S750-S753 WeakPolarHBondContact O-CB 3.44Å; S750-S753 PolarHBondContact O-N 2.95Å; A751-S753 VanDerWaalsContact C-N 3.26Å; A751-S753 PolarHBondContact O-N 3.5Å; S753-S757 WeakPolarHBondContact O-CB 3.5Å; S753-S757 PolarHBondContact O-N 2.83Å
754	E	71.3	Confident	69.1	Low	151 Å²	151	97 Å²	97	71%	0.706	55%	0.547	S	S	*	.	H	α-helix	trans	-72.6	-44.8	175.9	-69.4	-173.6	144.8	0	0	110.9	L756 S757 Q758	E754-L756 VanDerWaalsContact C-N 3.33Å; E754-L756 PolarHBondContact O-N 2.8Å; E754-S757 WeakPolarHBondContact O-CB 3.37Å; E754-S757 PolarHBondContact O-N 3.45Å; E754-S757 VanDerWaalsContact O-N 3.11Å; E754-Q758 PolarHBondContact O-N 2.81Å
755	Q	71.6	Confident	69.9	Low	137 Å²	137	99.7 Å²	99.7	64%	0.64	56%	0.555	S	S	*	*	H	α-helix	trans	-62.3	-38.5	175	-66.9	-167.9	-40.6	0	0	112.4	A751 A752 Q758 L759	A751-Q755 PolarHBondContact O-N 3.33Å; A752-Q755 PolarHBondContact O-N 3.39Å; Q755-Q758 PolarHBondContact O-N 2.85Å; Q755-L759 WeakPolarHBondContact O-CB 3.5Å; Q755-L759 WeakPolarHBondContact O-CG 3.36Å; Q755-L759 PolarHBondContact O-N 2.87Å
756	L	69.8	Low	70.6	Confident	71 Å²	71	95.9 Å²	95.9	37%	0.372	55%	0.545	S	S	.	.	H	α-helix	trans	-66.4	-36.4	172.8	-76.3	169.3	0	0	0	112.3	A744 A752 E754 Q758 Q760	A744-L756 HydrophobicContact CB-CD1 4.3Å; A752-L756 VanDerWaalsContact O-CB 3.24Å; A752-L756 WeakPolarHBondContact O-CB 3.41Å; A752-L756 WeakPolarHBondContact O-CG 3.43Å; A752-L756 PolarHBondContact O-N 3.45Å; E754-L756 VanDerWaalsContact C-N 3.33Å; E754-L756 PolarHBondContact O-N 2.8Å; L756-Q758 VanDerWaalsContact C-N 3.33Å; L756-Q760 WeakPolarHBondContact O-CB 3.38Å; L756-Q760 PolarHBondContact O-N 3.4Å
757	S	78	Confident	71.3	Confident	76 Å²	76	96.2 Å²	96.2	53%	0.531	53%	0.533	S	S	.	.	H	α-helix	trans	-68.7	-33.5	174.7	-168.5	0	0	0	0	112.3	S753 E754 A761	S753-S757 WeakPolarHBondContact O-CB 3.5Å; S753-S757 PolarHBondContact O-N 2.83Å; E754-S757 WeakPolarHBondContact O-CB 3.37Å; E754-S757 PolarHBondContact O-N 3.45Å; E754-S757 VanDerWaalsContact O-N 3.11Å; S757-A761 PolarHBondContact O-N 3.41Å
758	Q	77.8	Confident	72.4	Confident	126 Å²	126	97.8 Å²	97.8	59%	0.589	53%	0.526	S	S	*	.	H	α-helix	trans	-74.1	-45.6	178.6	-161.6	159.7	14.2	0	0	110.9	E754 Q755 L756 Q760 A761 E762	E754-Q758 PolarHBondContact O-N 2.81Å; Q755-Q758 PolarHBondContact O-N 2.85Å; L756-Q758 VanDerWaalsContact C-N 3.33Å; Q758-Q760 VanDerWaalsContact C-N 3.3Å; Q758-Q760 PolarHBondContact O-N 2.87Å; Q758-A761 PolarHBondContact O-N 2.97Å; Q758-E762 WeakPolarHBondContact O-CG 3.34Å; Q758-E762 PolarHBondContact O-N 3.19Å
759	L	77.6	Confident	73.8	Confident	104 Å²	104	96.7 Å²	96.7	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-61.7	-34.4	169.8	-73.5	168.7	0	0	0	112.7	Q755 L763	Q755-L759 WeakPolarHBondContact O-CB 3.5Å; Q755-L759 WeakPolarHBondContact O-CG 3.36Å; Q755-L759 PolarHBondContact O-N 2.87Å; L759-L763 WeakPolarHBondContact O-CB 3.44Å; L759-L763 PolarHBondContact O-N 3.23Å
760	Q	77.4	Confident	74.8	Confident	66 Å²	66	96.8 Å²	96.8	31%	0.308	50%	0.499	S	S	.	.	H	α-helix	trans	-64.3	-45.8	173.5	-176.5	-177.7	-29.5	0	0	110.7	L756 Q758 L763 E764	L756-Q760 WeakPolarHBondContact O-CB 3.38Å; L756-Q760 PolarHBondContact O-N 3.4Å; Q758-Q760 VanDerWaalsContact C-N 3.3Å; Q758-Q760 PolarHBondContact O-N 2.87Å; Q760-L763 PolarHBondContact O-N 2.65Å; Q760-E764 HydrophobicContact CG-CG 4.43Å; Q760-E764 VanDerWaalsContact CG-OE1 3.32Å; Q760-E764 WeakPolarHBondContact CG-OE1 3.34Å; Q760-E764 PolarHBondContact NE2-OE1 3.47Å; Q760-E764 WeakPolarHBondContact O-CB 3.37Å; Q760-E764 VanDerWaalsContact O-CG 3.3Å; Q760-E764 WeakPolarHBondContact O-CG 3.22Å; Q760-E764 PolarHBondContact O-N 2.87Å
761	A	77.7	Confident	75.3	Confident	55 Å²	55	94.7 Å²	94.7	46%	0.455	48%	0.484	S	S	.	.	H	α-helix	trans	-64.7	-41.5	177.8	0	0	0	0	0	112.6	S757 Q758 E764 E765	S757-A761 PolarHBondContact O-N 3.41Å; Q758-A761 PolarHBondContact O-N 2.97Å; A761-E764 PolarHBondContact O-N 3.12Å; A761-E765 WeakPolarHBondContact O-CB 3.3Å; A761-E765 PolarHBondContact O-N 3.45Å
762	E	77.9	Confident	76.2	Confident	106 Å²	106	96.8 Å²	96.8	50%	0.495	48%	0.484	S	S	.	.	H	α-helix	trans	-63.8	-42.6	175.5	-72.4	171.1	-176.3	0	0	111.7	Q758 E765 E766	Q758-E762 WeakPolarHBondContact O-CG 3.34Å; Q758-E762 PolarHBondContact O-N 3.19Å; E762-E765 PolarHBondContact O-N 3.02Å; E762-E766 PolarHBondContact O-N 3.02Å
763	L	80.6	Confident	77.2	Confident	94 Å²	94	101.7 Å²	101.7	49%	0.492	50%	0.5	S	S	.	.	H	α-helix	trans	-68.4	-38.7	176.7	-171.2	69.6	0	0	0	112.4	L759 Q760 W767	L759-L763 WeakPolarHBondContact O-CB 3.44Å; L759-L763 PolarHBondContact O-N 3.23Å; Q760-L763 PolarHBondContact O-N 2.65Å; L763-W767 VanDerWaalsContact O-CB 3.28Å; L763-W767 WeakPolarHBondContact O-CB 3.3Å; L763-W767 PolarHBondContact O-N 3.08Å
764	E	78.1	Confident	77.6	Confident	112 Å²	112	103.7 Å²	103.7	52%	0.523	50%	0.503	S	S	.	.	H	α-helix	trans	-65.6	-38.1	173.6	-77.2	175	-167.7	0	0	111.5	Q760 A761 R768	Q760-E764 HydrophobicContact CG-CG 4.43Å; Q760-E764 VanDerWaalsContact CG-OE1 3.32Å; Q760-E764 WeakPolarHBondContact CG-OE1 3.34Å; Q760-E764 PolarHBondContact NE2-OE1 3.47Å; Q760-E764 WeakPolarHBondContact O-CB 3.37Å; Q760-E764 VanDerWaalsContact O-CG 3.3Å; Q760-E764 WeakPolarHBondContact O-CG 3.22Å; Q760-E764 PolarHBondContact O-N 2.87Å; A761-E764 PolarHBondContact O-N 3.12Å; E764-R768 WeakPolarHBondContact O-CB 3.38Å; E764-R768 PolarHBondContact O-N 3.36Å
765	E	82.9	Confident	78	Confident	84 Å²	84	100.8 Å²	100.8	39%	0.393	49%	0.492	S	S	.	.	H	α-helix	trans	-71.1	-40.5	175.4	-155	-167	141.7	0	0	112.3	A761 E762 R768 K769	A761-E765 WeakPolarHBondContact O-CB 3.3Å; A761-E765 PolarHBondContact O-N 3.45Å; E762-E765 PolarHBondContact O-N 3.02Å; E765-R768 PolarHBondContact O-N 3.38Å; E765-R768 IonicContact OE1-NH2 2.73Å; E765-K769 HydrophobicContact CG-CD 4.4Å; E765-K769 WeakPolarHBondContact O-CB 3.46Å; E765-K769 WeakPolarHBondContact O-CG 3.26Å; E765-K769 PolarHBondContact O-N 2.78Å; E765-K769 WeakPolarHBondContact OE1-CE 3.43Å; E765-K769 IonicContact OE1-NZ 2.6Å; E765-K769 PolarHBondContact OE1-NZ 3.43Å
766	E	78.6	Confident	78.4	Confident	104 Å²	104	97 Å²	97	49%	0.486	48%	0.484	S	S	.	.	H	α-helix	trans	-60.8	-44.5	171.3	-87.7	-155.8	-164	0	0	112	E762 K769 K770	E762-E766 PolarHBondContact O-N 3.02Å; E766-K769 PolarHBondContact O-N 3.41Å; E766-K770 WeakPolarHBondContact O-CB 3.42Å; E766-K770 WeakPolarHBondContact O-CD 3.17Å; E766-K770 VanDerWaalsContact O-CG 3.26Å; E766-K770 WeakPolarHBondContact O-CG 3.31Å; E766-K770 PolarHBondContact O-N 3.06Å; E766-K770 WeakPolarHBondContact OE2-CE 3.43Å; E766-K770 IonicContact OE2-NZ 2.78Å; E766-K770 PolarHBondContact OE2-NZ 3.48Å
767	W	77.4	Confident	79	Confident	127 Å²	127	97.6 Å²	97.6	48%	0.481	49%	0.49	S	S	.	.	H	α-helix	trans	-66.1	-42.3	179	-172.3	85.2	0	0	0	111.2	L763 K770 S771	L763-W767 VanDerWaalsContact O-CB 3.28Å; L763-W767 WeakPolarHBondContact O-CB 3.3Å; L763-W767 PolarHBondContact O-N 3.08Å; W767-K770 PolarHBondContact O-N 3.3Å; W767-S771 VanDerWaalsContact O-CB 3.28Å; W767-S771 WeakPolarHBondContact O-CB 3.41Å; W767-S771 PolarHBondContact O-N 2.93Å
768	R	82.6	Confident	79	Confident	125 Å²	125	96.7 Å²	96.7	47%	0.472	49%	0.487	S	S	.	.	H	α-helix	trans	-58.8	-49.5	172.3	-173.7	-173.8	68.6	-161.7	-6.7	111.2	E764 E765 K770 S771 E772	E764-R768 WeakPolarHBondContact O-CB 3.38Å; E764-R768 PolarHBondContact O-N 3.36Å; E765-R768 PolarHBondContact O-N 3.38Å; E765-R768 IonicContact OE1-NH2 2.73Å; R768-K770 PolarHBondContact O-N 3.2Å; R768-S771 PolarHBondContact O-N 3.07Å; R768-E772 VanDerWaalsContact CD-OE1 3.32Å; R768-E772 WeakPolarHBondContact CD-OE1 3.26Å; R768-E772 HydrophobicContact CG-CG 4.24Å; R768-E772 VanDerWaalsContact CG-OE1 3.28Å; R768-E772 WeakPolarHBondContact CG-OE1 3.48Å; R768-E772 IonicContact NE-OE1 2.62Å; R768-E772 WeakPolarHBondContact O-CB 3.35Å; R768-E772 WeakPolarHBondContact O-CG 3.41Å; R768-E772 PolarHBondContact O-N 3.37Å
769	K	82.3	Confident	79.1	Confident	109 Å²	109	97.1 Å²	97.1	47%	0.474	49%	0.487	S	S	.	.	H	α-helix	trans	-59	-43.9	178	-81.1	165	163.5	162.8	0	112.3	E765 E766 Q773	E765-K769 HydrophobicContact CG-CD 4.4Å; E765-K769 WeakPolarHBondContact O-CB 3.46Å; E765-K769 WeakPolarHBondContact O-CG 3.26Å; E765-K769 PolarHBondContact O-N 2.78Å; E765-K769 WeakPolarHBondContact OE1-CE 3.43Å; E765-K769 IonicContact OE1-NZ 2.6Å; E765-K769 PolarHBondContact OE1-NZ 3.43Å; E766-K769 PolarHBondContact O-N 3.41Å; K769-Q773 VanDerWaalsContact O-CB 3.24Å; K769-Q773 WeakPolarHBondContact O-CB 3.44Å; K769-Q773 PolarHBondContact O-N 2.92Å
770	K	77.4	Confident	79.4	Confident	112 Å²	112	95.3 Å²	95.3	49%	0.487	48%	0.476	S	S	.	.	H	α-helix	trans	-64.6	-41.7	175.8	-71.8	164.3	-172	165.8	0	111.5	E766 W767 R768 Q773 M774	E766-K770 WeakPolarHBondContact O-CB 3.42Å; E766-K770 WeakPolarHBondContact O-CD 3.17Å; E766-K770 VanDerWaalsContact O-CG 3.26Å; E766-K770 WeakPolarHBondContact O-CG 3.31Å; E766-K770 PolarHBondContact O-N 3.06Å; E766-K770 WeakPolarHBondContact OE2-CE 3.43Å; E766-K770 IonicContact OE2-NZ 2.78Å; E766-K770 PolarHBondContact OE2-NZ 3.48Å; W767-K770 PolarHBondContact O-N 3.3Å; R768-K770 PolarHBondContact O-N 3.2Å; K770-Q773 PolarHBondContact O-N 3.28Å; K770-M774 WeakPolarHBondContact O-CB 3.43Å; K770-M774 VanDerWaalsContact O-CG 3.26Å; K770-M774 WeakPolarHBondContact O-CG 3.42Å; K770-M774 PolarHBondContact O-N 2.9Å
771	S	71.4	Confident	79.5	Confident	56 Å²	56	95.9 Å²	95.9	39%	0.392	48%	0.478	S	S	.	.	H	α-helix	trans	-64.8	-47.3	176.2	-172	0	0	0	0	112.2	W767 R768 Q773 M774 L775	W767-S771 VanDerWaalsContact O-CB 3.28Å; W767-S771 WeakPolarHBondContact O-CB 3.41Å; W767-S771 PolarHBondContact O-N 2.93Å; R768-S771 PolarHBondContact O-N 3.07Å; S771-Q773 PolarHBondContact O-N 2.9Å; S771-M774 PolarHBondContact O-N 2.81Å; S771-L775 VanDerWaalsContact O-CB 3.23Å; S771-L775 WeakPolarHBondContact O-CB 3.48Å; S771-L775 PolarHBondContact O-N 2.9Å
772	E	80.5	Confident	79.6	Confident	107 Å²	107	98 Å²	98	50%	0.5	48%	0.479	S	S	.	.	H	α-helix	trans	-61	-42	175.4	-74.3	170.4	177.6	0	0	111.7	R768 L775 A776	R768-E772 VanDerWaalsContact CD-OE1 3.32Å; R768-E772 WeakPolarHBondContact CD-OE1 3.26Å; R768-E772 HydrophobicContact CG-CG 4.24Å; R768-E772 VanDerWaalsContact CG-OE1 3.28Å; R768-E772 WeakPolarHBondContact CG-OE1 3.48Å; R768-E772 IonicContact NE-OE1 2.62Å; R768-E772 WeakPolarHBondContact O-CB 3.35Å; R768-E772 WeakPolarHBondContact O-CG 3.41Å; R768-E772 PolarHBondContact O-N 3.37Å; E772-L775 PolarHBondContact O-N 3.38Å; E772-A776 VanDerWaalsContact O-CB 3.3Å; E772-A776 WeakPolarHBondContact O-CB 3.43Å; E772-A776 PolarHBondContact O-N 3.4Å
773	Q	83.6	Confident	79.9	Confident	138 Å²	138	99.6 Å²	99.6	65%	0.645	48%	0.48	S	S	*	.	H	α-helix	trans	-67.4	-45.1	177.3	-174	174.5	1.6	0	0	112.2	K769 K770 S771 A776 V777	K769-Q773 VanDerWaalsContact O-CB 3.24Å; K769-Q773 WeakPolarHBondContact O-CB 3.44Å; K769-Q773 PolarHBondContact O-N 2.92Å; K770-Q773 PolarHBondContact O-N 3.28Å; S771-Q773 PolarHBondContact O-N 2.9Å; Q773-A776 PolarHBondContact O-N 3.5Å; Q773-V777 WeakPolarHBondContact O-CG2 3.4Å; Q773-V777 PolarHBondContact O-N 2.87Å
774	M	74.9	Confident	80.1	Confident	117 Å²	117	100.9 Å²	100.9	58%	0.576	48%	0.479	S	S	*	.	H	α-helix	trans	-62	-43	174.6	-74.1	-65.7	-69.1	0	0	111.4	L726 K770 S771 A776 V777 A778	L726-M774 HydrophobicContact CD2-CE 4.48Å; K770-M774 WeakPolarHBondContact O-CB 3.43Å; K770-M774 VanDerWaalsContact O-CG 3.26Å; K770-M774 WeakPolarHBondContact O-CG 3.42Å; K770-M774 PolarHBondContact O-N 2.9Å; S771-M774 PolarHBondContact O-N 2.81Å; M774-A776 VanDerWaalsContact C-N 3.33Å; M774-A776 PolarHBondContact O-N 3.2Å; M774-V777 PolarHBondContact O-N 2.94Å; M774-A778 WeakPolarHBondContact O-CB 3.44Å; M774-A778 PolarHBondContact O-N 3.48Å
775	L	80.4	Confident	80.3	Confident	91 Å²	91	98.9 Å²	98.9	48%	0.476	47%	0.469	S	S	.	.	H	α-helix	trans	-64.8	-36.3	176.5	-176.5	63.7	0	0	0	112.2	S771 E772 K779	S771-L775 VanDerWaalsContact O-CB 3.23Å; S771-L775 WeakPolarHBondContact O-CB 3.48Å; S771-L775 PolarHBondContact O-N 2.9Å; E772-L775 PolarHBondContact O-N 3.38Å; L775-K779 HydrophobicContact CD1-CD 4.43Å; L775-K779 HydrophobicContact CD1-CG 4.5Å; L775-K779 HydrophobicContact CG-CD 4.19Å; L775-K779 WeakPolarHBondContact O-CB 3.38Å; L775-K779 WeakPolarHBondContact O-CG 3.47Å; L775-K779 PolarHBondContact O-N 3.42Å
776	A	80.3	Confident	80.4	Confident	56 Å²	56	99.2 Å²	99.2	46%	0.463	47%	0.473	S	S	.	.	H	α-helix	trans	-67	-45	174.6	0	0	0	0	0	111.7	E772 Q773 M774 K779 E780	E772-A776 VanDerWaalsContact O-CB 3.3Å; E772-A776 WeakPolarHBondContact O-CB 3.43Å; E772-A776 PolarHBondContact O-N 3.4Å; Q773-A776 PolarHBondContact O-N 3.5Å; M774-A776 VanDerWaalsContact C-N 3.33Å; M774-A776 PolarHBondContact O-N 3.2Å; A776-K779 PolarHBondContact O-N 3Å; A776-E780 VanDerWaalsContact O-CB 3.24Å; A776-E780 WeakPolarHBondContact O-CB 3.47Å; A776-E780 PolarHBondContact O-N 3.27Å
777	V	82.1	Confident	80.7	Confident	85 Å²	85	96.6 Å²	96.6	52%	0.515	47%	0.467	S	S	.	.	H	α-helix	trans	-62.7	-45.5	176	171.9	0	0	0	0	111.1	Q773 M774 E780 Q781	Q773-V777 WeakPolarHBondContact O-CG2 3.4Å; Q773-V777 PolarHBondContact O-N 2.87Å; M774-V777 PolarHBondContact O-N 2.94Å; V777-E780 PolarHBondContact O-N 3.01Å; V777-Q781 WeakPolarHBondContact O-CB 3.45Å; V777-Q781 PolarHBondContact O-N 3.46Å
778	A	77.6	Confident	81.1	Confident	56 Å²	56	96.4 Å²	96.4	46%	0.463	47%	0.471	S	S	.	.	H	α-helix	trans	-63.3	-43.4	178	0	0	0	0	0	112.5	M774 Q781 H782	M774-A778 WeakPolarHBondContact O-CB 3.44Å; M774-A778 PolarHBondContact O-N 3.48Å; A778-Q781 PolarHBondContact O-N 3.4Å; A778-H782 WeakPolarHBondContact O-CB 3.37Å; A778-H782 PolarHBondContact O-N 2.93Å
779	K	78.9	Confident	81.2	Confident	136 Å²	136	94.8 Å²	94.8	59%	0.591	47%	0.471	S	S	*	.	H	α-helix	trans	-62.2	-42.1	174.5	-77.9	172.2	177.5	175.9	0	112.4	L775 A776 H782 R783	L775-K779 HydrophobicContact CD1-CD 4.43Å; L775-K779 HydrophobicContact CD1-CG 4.5Å; L775-K779 HydrophobicContact CG-CD 4.19Å; L775-K779 WeakPolarHBondContact O-CB 3.38Å; L775-K779 WeakPolarHBondContact O-CG 3.47Å; L775-K779 PolarHBondContact O-N 3.42Å; A776-K779 PolarHBondContact O-N 3Å; K779-H782 PolarHBondContact O-N 3.43Å; K779-R783 WeakPolarHBondContact O-CB 3.46Å; K779-R783 PolarHBondContact O-N 3.16Å
780	E	84.3	Confident	81.4	Confident	65 Å²	65	93 Å²	93	30%	0.304	47%	0.47	S	S	.	.	H	α-helix	trans	-71.6	-34.4	179.6	167.3	57.9	-163.5	0	0	112.2	A776 V777 R783 R784	A776-E780 VanDerWaalsContact O-CB 3.24Å; A776-E780 WeakPolarHBondContact O-CB 3.47Å; A776-E780 PolarHBondContact O-N 3.27Å; V777-E780 PolarHBondContact O-N 3.01Å; E780-R783 VanDerWaalsContact CD-NH2 3.26Å; E780-R783 IonicContact OE1-CZ 2.7Å; E780-R783 IonicContact OE1-NH2 2.76Å; E780-R783 PolarHBondContact OE1-NH2 2.97Å; E780-R783 IonicContact OE2-CZ 3.56Å; E780-R783 VanDerWaalsContact OE2-CZ 3.24Å; E780-R783 IonicContact OE2-NE 3.43Å; E780-R783 PolarHBondContact OE2-NE 2.95Å; E780-R783 IonicContact OE2-NH2 3.59Å; E780-R783 PolarHBondContact OE2-NH2 2.99Å; E780-R784 PolarHBondContact O-N 2.96Å; E780-R784 IonicContact OE1-CZ 3.35Å; E780-R784 VanDerWaalsContact OE1-CZ 3.27Å; E780-R784 IonicContact OE1-NE 2.73Å; E780-R784 PolarHBondContact OE1-NE 3.48Å; E780-R784 IonicContact OE1-NH2 3.17Å; E780-R784 PolarHBondContact OE1-NH2 2.73Å
781	Q	80.6	Confident	81.9	Confident	78 Å²	78	92.9 Å²	92.9	36%	0.364	47%	0.471	S	S	.	.	H	α-helix	trans	-64.5	-51.3	169.4	178.6	178	-32.2	0	0	110.6	V777 A778 R783 R784 E785	V777-Q781 WeakPolarHBondContact O-CB 3.45Å; V777-Q781 PolarHBondContact O-N 3.46Å; A778-Q781 PolarHBondContact O-N 3.4Å; Q781-R783 PolarHBondContact O-N 2.99Å; Q781-R784 WeakPolarHBondContact O-CA 3.4Å; Q781-R784 WeakPolarHBondContact O-CB 3.48Å; Q781-R784 PolarHBondContact O-N 3.27Å; Q781-E785 HydrophobicContact CG-CG 4.44Å; Q781-E785 WeakPolarHBondContact CG-OE1 3.47Å; Q781-E785 PolarHBondContact NE2-OE1 2.82Å; Q781-E785 PolarHBondContact O-N 2.92Å
782	H	79.6	Confident	82.6	Confident	100 Å²	100	93.4 Å²	93.4	46%	0.463	47%	0.474	S	S	.	.	H	α-helix	trans	-61.5	-31	179.6	-166	53	0	0	0	112.7	A778 K779 R784 E785 L786	A778-H782 WeakPolarHBondContact O-CB 3.37Å; A778-H782 PolarHBondContact O-N 2.93Å; K779-H782 PolarHBondContact O-N 3.43Å; H782-R784 VanDerWaalsContact C-N 3.31Å; H782-R784 PolarHBondContact O-N 2.98Å; H782-E785 IonicContact CG-OE2 3.26Å; H782-E785 IonicContact ND1-OE2 3.02Å; H782-E785 PolarHBondContact ND1-OE2 3.38Å; H782-E785 VanDerWaalsContact ND1-OE2 3.08Å; H782-E785 PolarHBondContact O-N 2.96Å; H782-L786 WeakPolarHBondContact O-CB 3.47Å; H782-L786 VanDerWaalsContact O-CG 3.26Å; H782-L786 WeakPolarHBondContact O-CG 3.3Å; H782-L786 PolarHBondContact O-N 3.24Å
783	R	83.8	Confident	82.9	Confident	139 Å²	139	94.5 Å²	94.5	53%	0.525	48%	0.477	S	S	.	.	H	α-helix	trans	-63.8	-32.8	171.6	-167.9	-170.7	64.8	71.2	2.5	112.9	K779 E780 Q781 S787	K779-R783 WeakPolarHBondContact O-CB 3.46Å; K779-R783 PolarHBondContact O-N 3.16Å; E780-R783 VanDerWaalsContact CD-NH2 3.26Å; E780-R783 IonicContact OE1-CZ 2.7Å; E780-R783 IonicContact OE1-NH2 2.76Å; E780-R783 PolarHBondContact OE1-NH2 2.97Å; E780-R783 IonicContact OE2-CZ 3.56Å; E780-R783 VanDerWaalsContact OE2-CZ 3.24Å; E780-R783 IonicContact OE2-NE 3.43Å; E780-R783 PolarHBondContact OE2-NE 2.95Å; E780-R783 IonicContact OE2-NH2 3.59Å; E780-R783 PolarHBondContact OE2-NH2 2.99Å; Q781-R783 PolarHBondContact O-N 2.99Å; R783-S787 PolarHBondContact O-N 2.79Å
784	R	83.7	Confident	83.1	Confident	122 Å²	122	93.8 Å²	93.8	46%	0.46	47%	0.474	S	S	.	.	H	α-helix	trans	-76.8	-46.3	174.3	-64.4	-179.3	-150.6	125.9	-0.8	111.5	E780 Q781 H782 L786 S787 E788	E780-R784 PolarHBondContact O-N 2.96Å; E780-R784 IonicContact OE1-CZ 3.35Å; E780-R784 VanDerWaalsContact OE1-CZ 3.27Å; E780-R784 IonicContact OE1-NE 2.73Å; E780-R784 PolarHBondContact OE1-NE 3.48Å; E780-R784 IonicContact OE1-NH2 3.17Å; E780-R784 PolarHBondContact OE1-NH2 2.73Å; Q781-R784 WeakPolarHBondContact O-CA 3.4Å; Q781-R784 WeakPolarHBondContact O-CB 3.48Å; Q781-R784 PolarHBondContact O-N 3.27Å; H782-R784 VanDerWaalsContact C-N 3.31Å; H782-R784 PolarHBondContact O-N 2.98Å; R784-L786 PolarHBondContact O-N 3.17Å; R784-S787 CarbonylContact O-C 3.6Å; R784-S787 WeakPolarHBondContact O-CA 3.47Å; R784-S787 WeakPolarHBondContact O-CB 3.34Å; R784-S787 PolarHBondContact O-N 3.46Å; R784-E788 WeakPolarHBondContact O-CG 3.42Å; R784-E788 PolarHBondContact O-N 3.29Å
785	E	83.7	Confident	83.7	Confident	70 Å²	70	91 Å²	91	33%	0.327	47%	0.469	S	S	.	.	H	α-helix	trans	-53.4	-40.9	173.8	-65.6	167	178.4	0	0	111.3	Q781 H782 L789	Q781-E785 HydrophobicContact CG-CG 4.44Å; Q781-E785 WeakPolarHBondContact CG-OE1 3.47Å; Q781-E785 PolarHBondContact NE2-OE1 2.82Å; Q781-E785 PolarHBondContact O-N 2.92Å; H782-E785 IonicContact CG-OE2 3.26Å; H782-E785 IonicContact ND1-OE2 3.02Å; H782-E785 PolarHBondContact ND1-OE2 3.38Å; H782-E785 VanDerWaalsContact ND1-OE2 3.08Å; H782-E785 PolarHBondContact O-N 2.96Å; E785-L789 WeakPolarHBondContact O-CB 3.35Å; E785-L789 PolarHBondContact O-N 2.81Å
786	L	83.9	Confident	84	Confident	90 Å²	90	91.2 Å²	91.2	47%	0.471	47%	0.471	S	S	.	.	H	α-helix	trans	-69.5	-34.4	173.5	-73.7	170.6	0	0	0	113.6	H782 R784 V790	H782-L786 WeakPolarHBondContact O-CB 3.47Å; H782-L786 VanDerWaalsContact O-CG 3.26Å; H782-L786 WeakPolarHBondContact O-CG 3.3Å; H782-L786 PolarHBondContact O-N 3.24Å; R784-L786 PolarHBondContact O-N 3.17Å; L786-V790 WeakPolarHBondContact O-CB 3.26Å; L786-V790 VanDerWaalsContact O-CG2 3.25Å; L786-V790 WeakPolarHBondContact O-CG2 3.36Å; L786-V790 PolarHBondContact O-N 3.06Å
787	S	85.1	Confident	84.4	Confident	50 Å²	50	93.3 Å²	93.3	35%	0.35	47%	0.471	S	S	.	.	H	α-helix	trans	-65.3	-52.4	174.3	-157.8	0	0	0	0	110.5	R783 R784 L789 V790 E791	R783-S787 PolarHBondContact O-N 2.79Å; R784-S787 CarbonylContact O-C 3.6Å; R784-S787 WeakPolarHBondContact O-CA 3.47Å; R784-S787 WeakPolarHBondContact O-CB 3.34Å; R784-S787 PolarHBondContact O-N 3.46Å; S787-L789 VanDerWaalsContact C-N 3.26Å; S787-L789 PolarHBondContact O-N 2.94Å; S787-V790 CarbonylContact O-C 3.59Å; S787-V790 PolarHBondContact O-N 3.41Å; S787-E791 WeakPolarHBondContact CB-OE1 3.4Å; S787-E791 WeakPolarHBondContact O-CB 3.3Å; S787-E791 VanDerWaalsContact O-CG 3.32Å; S787-E791 WeakPolarHBondContact O-CG 3.41Å; S787-E791 PolarHBondContact O-N 3.33Å; S787-E791 PolarHBondContact OG-OE1 2.91Å
788	E	85.6	Confident	84.7	Confident	123 Å²	123	93.1 Å²	93.1	58%	0.575	47%	0.467	S	S	*	.	H	α-helix	trans	-59.7	-36.1	179.3	-67.9	167.1	-151.9	0	0	111.8	R784 S792	R784-E788 WeakPolarHBondContact O-CG 3.42Å; R784-E788 PolarHBondContact O-N 3.29Å; E788-S792 VanDerWaalsContact O-CB 3.27Å; E788-S792 WeakPolarHBondContact O-CB 3.33Å; E788-S792 PolarHBondContact O-N 2.97Å
789	L	85.5	Confident	85.2	Confident	91 Å²	91	96 Å²	96	48%	0.476	47%	0.471	S	S	.	.	H	α-helix	trans	-76.1	-31.7	176.7	-157.7	153.8	0	0	0	112.4	W712 E785 S787 K793	W712-L789 HydrophobicContact CZ2-CD1 4.48Å; E785-L789 WeakPolarHBondContact O-CB 3.35Å; E785-L789 PolarHBondContact O-N 2.81Å; S787-L789 VanDerWaalsContact C-N 3.26Å; S787-L789 PolarHBondContact O-N 2.94Å; L789-K793 VanDerWaalsContact O-CB 3.28Å; L789-K793 WeakPolarHBondContact O-CB 3.43Å; L789-K793 PolarHBondContact O-N 2.94Å
790	V	86.2	Confident	85.6	Confident	72 Å²	72	94.4 Å²	94.4	44%	0.436	47%	0.468	S	S	.	.	H	α-helix	trans	-68.1	-47.9	169.1	166.1	0	0	0	0	110.8	L786 S787 S792 K793 E794	L786-V790 WeakPolarHBondContact O-CB 3.26Å; L786-V790 VanDerWaalsContact O-CG2 3.25Å; L786-V790 WeakPolarHBondContact O-CG2 3.36Å; L786-V790 PolarHBondContact O-N 3.06Å; S787-V790 CarbonylContact O-C 3.59Å; S787-V790 PolarHBondContact O-N 3.41Å; V790-S792 VanDerWaalsContact C-N 3.35Å; V790-S792 PolarHBondContact O-N 3.13Å; V790-K793 CarbonylContact O-C 3.57Å; V790-K793 WeakPolarHBondContact O-CA 3.48Å; V790-K793 WeakPolarHBondContact O-CB 3.36Å; V790-K793 PolarHBondContact O-N 3.36Å; V790-E794 HydrophobicContact CG1-CG 4.48Å; V790-E794 WeakPolarHBondContact O-CG 3.34Å; V790-E794 PolarHBondContact O-N 3.39Å
791	E	87.6	Confident	85.8	Confident	109 Å²	109	94 Å²	94	51%	0.509	47%	0.47	S	S	.	.	H	α-helix	trans	-60	-43.1	177	-69.8	162.1	-130.9	0	0	111.1	S787 K793 E794 A795	S787-E791 WeakPolarHBondContact CB-OE1 3.4Å; S787-E791 WeakPolarHBondContact O-CB 3.3Å; S787-E791 VanDerWaalsContact O-CG 3.32Å; S787-E791 WeakPolarHBondContact O-CG 3.41Å; S787-E791 PolarHBondContact O-N 3.33Å; S787-E791 PolarHBondContact OG-OE1 2.91Å; E791-K793 VanDerWaalsContact C-N 3.32Å; E791-K793 PolarHBondContact O-N 2.93Å; E791-E794 PolarHBondContact O-N 3.46Å; E791-A795 WeakPolarHBondContact O-CB 3.41Å; E791-A795 PolarHBondContact O-N 3.27Å
792	S	85.9	Confident	86.1	Confident	67 Å²	67	96.9 Å²	96.9	47%	0.469	48%	0.478	S	S	.	.	H	α-helix	trans	-66.6	-30.3	172.8	-178.5	0	0	0	0	113.2	E788 V790 L796	E788-S792 VanDerWaalsContact O-CB 3.27Å; E788-S792 WeakPolarHBondContact O-CB 3.33Å; E788-S792 PolarHBondContact O-N 2.97Å; V790-S792 VanDerWaalsContact C-N 3.35Å; V790-S792 PolarHBondContact O-N 3.13Å; S792-L796 WeakPolarHBondContact O-CD1 3.45Å; S792-L796 WeakPolarHBondContact O-CG 3.5Å; S792-L796 PolarHBondContact O-N 2.97Å
793	K	86.8	Confident	86.5	Confident	130 Å²	130	97.5 Å²	97.5	57%	0.565	48%	0.484	S	S	*	.	H	α-helix	trans	-72.1	-43.3	174.8	-179.3	-162.1	169.8	-161.2	0	110.3	L789 V790 E791 L796 Q797	L789-K793 VanDerWaalsContact O-CB 3.28Å; L789-K793 WeakPolarHBondContact O-CB 3.43Å; L789-K793 PolarHBondContact O-N 2.94Å; V790-K793 CarbonylContact O-C 3.57Å; V790-K793 WeakPolarHBondContact O-CA 3.48Å; V790-K793 WeakPolarHBondContact O-CB 3.36Å; V790-K793 PolarHBondContact O-N 3.36Å; E791-K793 VanDerWaalsContact C-N 3.32Å; E791-K793 PolarHBondContact O-N 2.93Å; K793-L796 PolarHBondContact O-N 3.43Å; K793-Q797 WeakPolarHBondContact O-CB 3.48Å; K793-Q797 PolarHBondContact O-N 2.95Å
794	E	88.5	Confident	86.6	Confident	122 Å²	122	96.9 Å²	96.9	57%	0.57	49%	0.487	S	S	*	.	H	α-helix	trans	-63.1	-43.2	177	-72.4	177.7	179.7	0	0	110.8	V790 E791 L796 Q797 D798	V790-E794 HydrophobicContact CG1-CG 4.48Å; V790-E794 WeakPolarHBondContact O-CG 3.34Å; V790-E794 PolarHBondContact O-N 3.39Å; E791-E794 PolarHBondContact O-N 3.46Å; E794-L796 VanDerWaalsContact C-N 3.31Å; E794-L796 PolarHBondContact O-N 2.9Å; E794-Q797 WeakPolarHBondContact O-CB 3.44Å; E794-Q797 PolarHBondContact O-N 3.35Å; E794-Q797 VanDerWaalsContact O-N 3.13Å; E794-D798 WeakPolarHBondContact O-CB 3.5Å; E794-D798 PolarHBondContact O-N 2.83Å
795	A	87.1	Confident	86.9	Confident	58 Å²	58	97.1 Å²	97.1	48%	0.479	49%	0.493	S	S	.	.	H	α-helix	trans	-60.3	-36.5	173	0	0	0	0	0	113.6	E791 Q799	E791-A795 WeakPolarHBondContact O-CB 3.41Å; E791-A795 PolarHBondContact O-N 3.27Å; A795-Q799 WeakPolarHBondContact O-CG 3.37Å; A795-Q799 PolarHBondContact O-N 2.93Å; A795-Q799 VanDerWaalsContact O-N 3.1Å
796	L	87.4	Confident	87.1	Confident	97 Å²	97	100.6 Å²	100.6	51%	0.508	51%	0.507	S	S	.	.	H	α-helix	trans	-73.6	-34.5	173.8	-77.9	166.7	0	0	0	112.5	S792 K793 E794 D798 Q799 L800	S792-L796 WeakPolarHBondContact O-CD1 3.45Å; S792-L796 WeakPolarHBondContact O-CG 3.5Å; S792-L796 PolarHBondContact O-N 2.97Å; K793-L796 PolarHBondContact O-N 3.43Å; E794-L796 VanDerWaalsContact C-N 3.31Å; E794-L796 PolarHBondContact O-N 2.9Å; L796-D798 VanDerWaalsContact C-N 3.33Å; L796-Q799 PolarHBondContact O-N 3.49Å; L796-L800 WeakPolarHBondContact O-CB 3.28Å; L796-L800 PolarHBondContact O-N 2.84Å
797	Q	87.9	Confident	87.1	Confident	100 Å²	100	103.7 Å²	103.7	47%	0.467	51%	0.514	S	S	.	.	H	α-helix	trans	-62.5	-43	173	-164.3	81.5	45.5	0	0	110.2	K793 E794 L800 T801	K793-Q797 WeakPolarHBondContact O-CB 3.48Å; K793-Q797 PolarHBondContact O-N 2.95Å; E794-Q797 WeakPolarHBondContact O-CB 3.44Å; E794-Q797 PolarHBondContact O-N 3.35Å; E794-Q797 VanDerWaalsContact O-N 3.13Å; Q797-L800 WeakPolarHBondContact O-CB 3.46Å; Q797-L800 PolarHBondContact O-N 3.27Å; Q797-T801 PolarHBondContact O-N 2.91Å; Q797-T801 PolarHBondContact O-OG1 3.39Å
798	D	89.2	Confident	87.1	Confident	81 Å²	81	103.4 Å²	103.4	43%	0.433	51%	0.511	S	S	.	.	H	α-helix	trans	-66.5	-31.8	175.5	-112.8	42.7	0	0	0	113.5	E794 L796 T801 R802	E794-D798 WeakPolarHBondContact O-CB 3.5Å; E794-D798 PolarHBondContact O-N 2.83Å; L796-D798 VanDerWaalsContact C-N 3.33Å; D798-T801 WeakPolarHBondContact CA-OG1 3.37Å; D798-T801 PolarHBondContact O-OG1 3.42Å; D798-T801 VanDerWaalsContact O-OG1 3.09Å; D798-R802 WeakPolarHBondContact O-CB 3.31Å; D798-R802 VanDerWaalsContact O-CD 3.31Å; D798-R802 WeakPolarHBondContact O-CD 3.49Å; D798-R802 WeakPolarHBondContact O-CG 3.16Å; D798-R802 PolarHBondContact O-N 3.37Å; D798-R802 PolarHBondContact O-NE 3.45Å; D798-R802 IonicContact OD2-CZ 2.87Å; D798-R802 IonicContact OD2-NE 2.75Å; D798-R802 IonicContact OD2-NH2 3.84Å; D798-R802 PolarHBondContact OD2-NH2 2.88Å
799	Q	88.4	Confident	87.2	Confident	116 Å²	116	100.1 Å²	100.1	54%	0.542	51%	0.505	S	S	.	.	H	α-helix	trans	-71.7	-40	170.2	-75.7	-176	-13.4	0	0	111.4	A795 L796 R802 L803	A795-Q799 WeakPolarHBondContact O-CG 3.37Å; A795-Q799 PolarHBondContact O-N 2.93Å; A795-Q799 VanDerWaalsContact O-N 3.1Å; L796-Q799 PolarHBondContact O-N 3.49Å; Q799-R802 PolarHBondContact O-N 3.42Å; Q799-L803 WeakPolarHBondContact O-CD1 3.44Å; Q799-L803 PolarHBondContact O-N 3.19Å
800	L	85.9	Confident	87.1	Confident	102 Å²	102	101.5 Å²	101.5	53%	0.534	51%	0.513	S	S	.	.	H	α-helix	trans	-64.4	-44.5	178.6	-171.5	70.4	0	0	0	111.9	L796 Q797 L803 Q804	L796-L800 WeakPolarHBondContact O-CB 3.28Å; L796-L800 PolarHBondContact O-N 2.84Å; Q797-L800 WeakPolarHBondContact O-CB 3.46Å; Q797-L800 PolarHBondContact O-N 3.27Å; L800-L803 PolarHBondContact O-N 3.44Å; L800-Q804 WeakPolarHBondContact O-CB 3.49Å; L800-Q804 PolarHBondContact O-N 3.2Å
801	T	89.1	Confident	87.1	Confident	56 Å²	56	104 Å²	104	34%	0.344	52%	0.52	S	S	.	.	H	α-helix	trans	-62	-46.7	176.2	50.6	0	0	0	0	111.4	Q797 D798 L803 Q804 E805	Q797-T801 PolarHBondContact O-N 2.91Å; Q797-T801 PolarHBondContact O-OG1 3.39Å; D798-T801 WeakPolarHBondContact CA-OG1 3.37Å; D798-T801 PolarHBondContact O-OG1 3.42Å; D798-T801 VanDerWaalsContact O-OG1 3.09Å; T801-L803 VanDerWaalsContact C-N 3.29Å; T801-L803 PolarHBondContact O-N 2.93Å; T801-Q804 CarbonylContact O-C 3.58Å; T801-Q804 PolarHBondContact O-N 3.13Å; T801-E805 WeakPolarHBondContact O-CG 3.37Å; T801-E805 PolarHBondContact O-N 3.09Å
802	R	87.5	Confident	87	Confident	139 Å²	139	105.8 Å²	105.8	53%	0.525	53%	0.528	S	S	.	.	H	α-helix	trans	-62.2	-32.9	176.2	-68.2	171.1	-156.4	-176.4	9	113.2	D798 Q799 K806	D798-R802 WeakPolarHBondContact O-CB 3.31Å; D798-R802 VanDerWaalsContact O-CD 3.31Å; D798-R802 WeakPolarHBondContact O-CD 3.49Å; D798-R802 WeakPolarHBondContact O-CG 3.16Å; D798-R802 PolarHBondContact O-N 3.37Å; D798-R802 PolarHBondContact O-NE 3.45Å; D798-R802 IonicContact OD2-CZ 2.87Å; D798-R802 IonicContact OD2-NE 2.75Å; D798-R802 IonicContact OD2-NH2 3.84Å; D798-R802 PolarHBondContact OD2-NH2 2.88Å; Q799-R802 PolarHBondContact O-N 3.42Å; R802-K806 WeakPolarHBondContact O-CB 3.46Å; R802-K806 VanDerWaalsContact O-CG 3.3Å; R802-K806 WeakPolarHBondContact O-CG 3.4Å; R802-K806 PolarHBondContact O-N 2.97Å; R802-K806 VanDerWaalsContact O-N 3.13Å
803	L	86.9	Confident	86.9	Confident	113 Å²	113	108.4 Å²	108.4	59%	0.592	53%	0.533	S	S	*	.	H	α-helix	trans	-71	-38.7	172.1	-99.6	70.1	0	0	0	111.8	Q799 L800 T801 K806 Y807	Q799-L803 WeakPolarHBondContact O-CD1 3.44Å; Q799-L803 PolarHBondContact O-N 3.19Å; L800-L803 PolarHBondContact O-N 3.44Å; T801-L803 VanDerWaalsContact C-N 3.29Å; T801-L803 PolarHBondContact O-N 2.93Å; L803-K806 PolarHBondContact O-N 2.81Å; L803-Y807 WeakPolarHBondContact O-CB 3.44Å; L803-Y807 PolarHBondContact O-N 3.38Å
804	Q	87	Confident	86.8	Confident	127 Å²	127	104 Å²	104	59%	0.593	52%	0.524	S	S	*	.	H	α-helix	trans	-69.7	-37	177.6	-171.9	171	-15.6	0	0	112.3	L800 T801 Y807 S808	L800-Q804 WeakPolarHBondContact O-CB 3.49Å; L800-Q804 PolarHBondContact O-N 3.2Å; T801-Q804 CarbonylContact O-C 3.58Å; T801-Q804 PolarHBondContact O-N 3.13Å; Q804-Y807 PolarHBondContact O-N 3.34Å; Q804-S808 WeakPolarHBondContact O-CB 3.36Å; Q804-S808 PolarHBondContact O-N 2.88Å; Q804-S808 PolarHBondContact O-OG 3.02Å
805	E	89.3	Confident	86.5	Confident	127 Å²	127	100 Å²	100	59%	0.593	52%	0.515	S	S	*	.	H	α-helix	trans	-61.4	-48	169.8	-73	170.9	167.9	0	0	111.2	T801 Y807 S808 A809	T801-E805 WeakPolarHBondContact O-CG 3.37Å; T801-E805 PolarHBondContact O-N 3.09Å; E805-Y807 VanDerWaalsContact C-N 3.35Å; E805-Y807 PolarHBondContact O-N 3.29Å; E805-S808 PolarHBondContact O-N 3.21Å; E805-A809 WeakPolarHBondContact O-CB 3.34Å; E805-A809 PolarHBondContact O-N 2.99Å
806	K	88.3	Confident	86.4	Confident	142 Å²	142	100.2 Å²	100.2	62%	0.617	51%	0.513	S	S	*	.	H	α-helix	trans	-60.2	-42	174.5	-77.9	178.8	176.4	-169.6	0	112.6	R802 L803 A809 L810	R802-K806 WeakPolarHBondContact O-CB 3.46Å; R802-K806 VanDerWaalsContact O-CG 3.3Å; R802-K806 WeakPolarHBondContact O-CG 3.4Å; R802-K806 PolarHBondContact O-N 2.97Å; R802-K806 VanDerWaalsContact O-N 3.13Å; L803-K806 PolarHBondContact O-N 2.81Å; K806-A809 PolarHBondContact O-N 3.44Å; K806-L810 WeakPolarHBondContact O-CB 3.42Å; K806-L810 WeakPolarHBondContact O-CG 3.47Å; K806-L810 PolarHBondContact O-N 3.23Å
807	Y	83.7	Confident	86.3	Confident	156 Å²	156	98.9 Å²	98.9	61%	0.612	51%	0.509	S	S	*	.	H	α-helix	trans	-63.4	-45.1	176.3	-174.1	-93.6	0	0	0	111.2	L803 Q804 E805 A809 L810 E811	L803-Y807 WeakPolarHBondContact O-CB 3.44Å; L803-Y807 PolarHBondContact O-N 3.38Å; Q804-Y807 PolarHBondContact O-N 3.34Å; E805-Y807 VanDerWaalsContact C-N 3.35Å; E805-Y807 PolarHBondContact O-N 3.29Å; Y807-A809 VanDerWaalsContact C-N 3.31Å; Y807-A809 PolarHBondContact O-N 2.82Å; Y807-L810 PolarHBondContact O-N 3.32Å; Y807-E811 WeakPolarHBondContact O-CB 3.26Å; Y807-E811 PolarHBondContact O-N 3.2Å
808	S	85.8	Confident	86.2	Confident	43 Å²	43	99.7 Å²	99.7	30%	0.301	51%	0.511	S	S	.	.	H	α-helix	trans	-63.5	-36	177	-53.7	0	0	0	0	112.2	Q804 E805 E811 Q812	Q804-S808 WeakPolarHBondContact O-CB 3.36Å; Q804-S808 PolarHBondContact O-N 2.88Å; Q804-S808 PolarHBondContact O-OG 3.02Å; E805-S808 PolarHBondContact O-N 3.21Å; S808-E811 PolarHBondContact O-N 3.37Å; S808-Q812 WeakPolarHBondContact O-CB 3.26Å; S808-Q812 VanDerWaalsContact O-CG 3.26Å; S808-Q812 WeakPolarHBondContact O-CG 3.35Å; S808-Q812 PolarHBondContact O-N 3.47Å
809	A	86.6	Confident	86	Confident	54 Å²	54	100.3 Å²	100.3	45%	0.446	51%	0.512	S	S	.	.	H	α-helix	trans	-68.7	-39.6	174	0	0	0	0	0	112.3	E805 K806 Y807 Q812 H813	E805-A809 WeakPolarHBondContact O-CB 3.34Å; E805-A809 PolarHBondContact O-N 2.99Å; K806-A809 PolarHBondContact O-N 3.44Å; Y807-A809 VanDerWaalsContact C-N 3.31Å; Y807-A809 PolarHBondContact O-N 2.82Å; A809-Q812 PolarHBondContact O-N 2.83Å; A809-H813 WeakPolarHBondContact O-CB 3.25Å; A809-H813 PolarHBondContact O-N 3.34Å
810	L	84.9	Confident	85.8	Confident	121 Å²	121	100.1 Å²	100.1	63%	0.634	51%	0.51	S	S	*	.	H	α-helix	trans	-67.2	-36.7	173.2	-77.4	164.3	0	0	0	112.2	K806 Y807 H813 G814	K806-L810 WeakPolarHBondContact O-CB 3.42Å; K806-L810 WeakPolarHBondContact O-CG 3.47Å; K806-L810 PolarHBondContact O-N 3.23Å; Y807-L810 PolarHBondContact O-N 3.32Å; L810-H813 PolarHBondContact O-N 3.1Å; L810-G814 PolarHBondContact O-N 2.95Å
811	E	85.5	Confident	85.5	Confident	124 Å²	124	100.1 Å²	100.1	58%	0.579	51%	0.511	S	S	*	.	H	α-helix	trans	-67.1	-43.1	174.6	-175.1	173.3	-146.3	0	0	111.3	Y807 S808 G814 G815	Y807-E811 WeakPolarHBondContact O-CB 3.26Å; Y807-E811 PolarHBondContact O-N 3.2Å; S808-E811 PolarHBondContact O-N 3.37Å; E811-G814 PolarHBondContact O-N 3.31Å; E811-G815 PolarHBondContact O-N 3.47Å
812	Q	84.9	Confident	85.3	Confident	146 Å²	146	102 Å²	102	68%	0.682	52%	0.515	S	S	*	.	H	α-helix	trans	-63.6	-40.3	172	-73.8	172	20.2	0	0	112.3	S808 A809 G815 S816	S808-Q812 WeakPolarHBondContact O-CB 3.26Å; S808-Q812 VanDerWaalsContact O-CG 3.26Å; S808-Q812 WeakPolarHBondContact O-CG 3.35Å; S808-Q812 PolarHBondContact O-N 3.47Å; A809-Q812 PolarHBondContact O-N 2.83Å; Q812-G815 PolarHBondContact O-N 3.24Å; Q812-S816 WeakPolarHBondContact O-CB 3.43Å; Q812-S816 PolarHBondContact O-N 2.94Å
813	H	85.1	Confident	85.2	Confident	123 Å²	123	101.7 Å²	101.7	57%	0.569	51%	0.514	S	S	*	.	H	α-helix	trans	-65.5	-45.3	175	-176.3	-89.5	0	0	0	111.6	A809 L810 G815 S816 V817	A809-H813 WeakPolarHBondContact O-CB 3.25Å; A809-H813 PolarHBondContact O-N 3.34Å; L810-H813 PolarHBondContact O-N 3.1Å; H813-G815 VanDerWaalsContact C-N 3.31Å; H813-G815 PolarHBondContact O-N 2.93Å; H813-S816 PolarHBondContact O-N 3.49Å; H813-V817 WeakPolarHBondContact O-CG2 3.47Å; H813-V817 PolarHBondContact O-N 3.48Å
814	G	83.8	Confident	85	Confident	37 Å²	37	101.2 Å²	101.2	38%	0.381	51%	0.509	S	S	.	.	H	α-helix	trans	-61.6	-38.5	174.1	0	0	0	0	0	112.5	L810 E811 K818	L810-G814 PolarHBondContact O-N 2.95Å; E811-G814 PolarHBondContact O-N 3.31Å; G814-K818 VanDerWaalsContact O-CB 3.23Å; G814-K818 WeakPolarHBondContact O-CB 3.45Å; G814-K818 PolarHBondContact O-N 2.97Å
815	G	82.3	Confident	84.7	Confident	38 Å²	38	98.4 Å²	98.4	39%	0.392	50%	0.5	S	S	.	.	H	α-helix	trans	-61.8	-46.8	171.3	0	0	0	0	0	112.5	E811 Q812 H813 K818 E819	E811-G815 PolarHBondContact O-N 3.47Å; Q812-G815 PolarHBondContact O-N 3.24Å; H813-G815 VanDerWaalsContact C-N 3.31Å; H813-G815 PolarHBondContact O-N 2.93Å; G815-K818 PolarHBondContact O-N 3.23Å; G815-E819 VanDerWaalsContact O-CB 3.3Å; G815-E819 WeakPolarHBondContact O-CB 3.21Å; G815-E819 PolarHBondContact O-N 2.84Å
816	S	84.2	Confident	84.3	Confident	62 Å²	62	95.5 Å²	95.5	43%	0.434	49%	0.494	S	S	.	.	H	α-helix	trans	-62.6	-45.4	176.5	-173.9	0	0	0	0	112.3	Q812 H813 K818 E819 Q820	Q812-S816 WeakPolarHBondContact O-CB 3.43Å; Q812-S816 PolarHBondContact O-N 2.94Å; H813-S816 PolarHBondContact O-N 3.49Å; S816-K818 PolarHBondContact O-N 3.25Å; S816-E819 PolarHBondContact O-N 3.22Å; S816-Q820 WeakPolarHBondContact O-CB 3.32Å; S816-Q820 PolarHBondContact O-N 3.45Å
817	V	87	Confident	84	Confident	70 Å²	70	94.5 Å²	94.5	42%	0.424	49%	0.492	S	S	.	.	H	α-helix	trans	-62.9	-42.6	175	171.2	0	0	0	0	111	H813 Q820 L821	H813-V817 WeakPolarHBondContact O-CG2 3.47Å; H813-V817 PolarHBondContact O-N 3.48Å; V817-Q820 PolarHBondContact O-N 2.85Å; V817-L821 WeakPolarHBondContact O-CB 3.41Å; V817-L821 PolarHBondContact O-N 2.9Å
818	K	85	Confident	83.6	Confident	116 Å²	116	92.6 Å²	92.6	50%	0.504	49%	0.492	S	S	.	.	H	α-helix	trans	-62.5	-46.4	175	178.9	177.8	175.5	-77.3	0	111.3	G814 G815 S816 Q820 L821 E822	G814-K818 VanDerWaalsContact O-CB 3.23Å; G814-K818 WeakPolarHBondContact O-CB 3.45Å; G814-K818 PolarHBondContact O-N 2.97Å; G815-K818 PolarHBondContact O-N 3.23Å; S816-K818 PolarHBondContact O-N 3.25Å; K818-Q820 VanDerWaalsContact C-N 3.31Å; K818-Q820 PolarHBondContact O-N 2.85Å; K818-L821 CarbonylContact O-C 3.57Å; K818-L821 WeakPolarHBondContact O-CB 3.39Å; K818-L821 PolarHBondContact O-N 3.38Å; K818-L821 VanDerWaalsContact O-N 3.14Å; K818-E822 WeakPolarHBondContact CE-OE1 3.29Å; K818-E822 HydrophobicContact CG-CG 4.43Å; K818-E822 IonicContact NZ-OE1 2.97Å; K818-E822 PolarHBondContact NZ-OE1 2.9Å; K818-E822 IonicContact NZ-OE2 2.63Å; K818-E822 PolarHBondContact NZ-OE2 3.01Å; K818-E822 WeakPolarHBondContact O-CB 3.36Å; K818-E822 WeakPolarHBondContact O-CG 3.3Å; K818-E822 PolarHBondContact O-N 2.77Å
819	E	84.6	Confident	83.2	Confident	95 Å²	95	95.8 Å²	95.8	44%	0.444	50%	0.502	S	S	.	.	H	α-helix	trans	-67.5	-31.7	179.6	-159.6	-160.5	-161.2	0	0	111.5	G815 S816 R823	G815-E819 VanDerWaalsContact O-CB 3.3Å; G815-E819 WeakPolarHBondContact O-CB 3.21Å; G815-E819 PolarHBondContact O-N 2.84Å; S816-E819 PolarHBondContact O-N 3.22Å; E819-R823 WeakPolarHBondContact O-CB 3.25Å; E819-R823 VanDerWaalsContact O-CG 3.26Å; E819-R823 WeakPolarHBondContact O-CG 3.29Å; E819-R823 PolarHBondContact O-N 3.06Å; E819-R823 IonicContact OE1-CZ 3.88Å; E819-R823 IonicContact OE1-NH1 3.24Å; E819-R823 IonicContact OE1-NH2 3.67Å; E819-R823 PolarHBondContact OE1-NH2 2.88Å; E819-R823 IonicContact OE2-CZ 2.86Å; E819-R823 IonicContact OE2-NH1 3.14Å; E819-R823 PolarHBondContact OE2-NH1 2.72Å; E819-R823 IonicContact OE2-NH2 3.15Å; E819-R823 PolarHBondContact OE2-NH2 2.8Å
820	Q	83.8	Confident	82.7	Confident	111 Å²	111	98.9 Å²	98.9	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-70.3	-36.7	170.5	-174.6	169.3	-2.7	0	0	112	S816 V817 K818 R823 Q824	S816-Q820 WeakPolarHBondContact O-CB 3.32Å; S816-Q820 PolarHBondContact O-N 3.45Å; V817-Q820 PolarHBondContact O-N 2.85Å; K818-Q820 VanDerWaalsContact C-N 3.31Å; K818-Q820 PolarHBondContact O-N 2.85Å; Q820-R823 PolarHBondContact O-N 3.43Å; Q820-Q824 WeakPolarHBondContact O-CG 3.27Å; Q820-Q824 PolarHBondContact O-N 3.4Å
821	L	80.7	Confident	82	Confident	103 Å²	103	95.4 Å²	95.4	54%	0.539	49%	0.486	S	S	.	.	H	α-helix	trans	-69.2	-39.9	173.3	-146.9	77.7	0	0	0	111.4	V817 K818 Q824 V825	V817-L821 WeakPolarHBondContact O-CB 3.41Å; V817-L821 PolarHBondContact O-N 2.9Å; K818-L821 CarbonylContact O-C 3.57Å; K818-L821 WeakPolarHBondContact O-CB 3.39Å; K818-L821 PolarHBondContact O-N 3.38Å; K818-L821 VanDerWaalsContact O-N 3.14Å; L821-Q824 PolarHBondContact O-N 3.27Å; L821-V825 WeakPolarHBondContact O-CB 3.24Å; L821-V825 WeakPolarHBondContact O-CG2 3.4Å; L821-V825 PolarHBondContact O-N 2.93Å
822	E	83.8	Confident	81.2	Confident	94 Å²	94	92.7 Å²	92.7	44%	0.439	48%	0.478	S	S	.	.	H	α-helix	trans	-65.5	-38	173.7	-75.4	176.3	146.7	0	0	111.1	K818 V825 S826	K818-E822 WeakPolarHBondContact CE-OE1 3.29Å; K818-E822 HydrophobicContact CG-CG 4.43Å; K818-E822 IonicContact NZ-OE1 2.97Å; K818-E822 PolarHBondContact NZ-OE1 2.9Å; K818-E822 IonicContact NZ-OE2 2.63Å; K818-E822 PolarHBondContact NZ-OE2 3.01Å; K818-E822 WeakPolarHBondContact O-CB 3.36Å; K818-E822 WeakPolarHBondContact O-CG 3.3Å; K818-E822 PolarHBondContact O-N 2.77Å; E822-V825 PolarHBondContact O-N 2.98Å; E822-S826 WeakPolarHBondContact O-CB 3.49Å; E822-S826 PolarHBondContact O-N 3.08Å; E822-S826 PolarHBondContact O-OG 3.49Å
823	R	85.4	Confident	80.1	Confident	134 Å²	134	91.9 Å²	91.9	51%	0.506	47%	0.474	S	S	.	.	H	α-helix	trans	-62.1	-44.2	168.7	-76	175.6	-171.4	103.7	0	112.5	E819 Q820 S826 E827	E819-R823 WeakPolarHBondContact O-CB 3.25Å; E819-R823 VanDerWaalsContact O-CG 3.26Å; E819-R823 WeakPolarHBondContact O-CG 3.29Å; E819-R823 PolarHBondContact O-N 3.06Å; E819-R823 IonicContact OE1-CZ 3.88Å; E819-R823 IonicContact OE1-NH1 3.24Å; E819-R823 IonicContact OE1-NH2 3.67Å; E819-R823 PolarHBondContact OE1-NH2 2.88Å; E819-R823 IonicContact OE2-CZ 2.86Å; E819-R823 IonicContact OE2-NH1 3.14Å; E819-R823 PolarHBondContact OE2-NH1 2.72Å; E819-R823 IonicContact OE2-NH2 3.15Å; E819-R823 PolarHBondContact OE2-NH2 2.8Å; Q820-R823 PolarHBondContact O-N 3.43Å; R823-S826 PolarHBondContact O-N 3.46Å; R823-E827 WeakPolarHBondContact O-CB 3.3Å; R823-E827 PolarHBondContact O-N 2.92Å
824	Q	83.5	Confident	78.9	Confident	103 Å²	103	90.6 Å²	90.6	48%	0.481	47%	0.468	S	S	.	.	H	α-helix	trans	-64.9	-38.6	176.7	-77.2	-178.2	-14.3	0	0	112.2	Q820 L821 E827 L828	Q820-Q824 WeakPolarHBondContact O-CG 3.27Å; Q820-Q824 PolarHBondContact O-N 3.4Å; L821-Q824 PolarHBondContact O-N 3.27Å; Q824-E827 PolarHBondContact O-N 3.04Å; Q824-L828 WeakPolarHBondContact O-CB 3.31Å; Q824-L828 VanDerWaalsContact O-CG 3.24Å; Q824-L828 WeakPolarHBondContact O-CG 3.34Å; Q824-L828 PolarHBondContact O-N 2.98Å
825	V	79.8	Confident	77.5	Confident	67 Å²	67	95.6 Å²	95.6	41%	0.406	48%	0.481	S	S	.	.	H	α-helix	trans	-65.8	-47.8	172.7	169.8	0	0	0	0	110.2	L821 E822 E827 L828 E829	L821-V825 WeakPolarHBondContact O-CB 3.24Å; L821-V825 WeakPolarHBondContact O-CG2 3.4Å; L821-V825 PolarHBondContact O-N 2.93Å; E822-V825 PolarHBondContact O-N 2.98Å; V825-E827 VanDerWaalsContact C-N 3.27Å; V825-E827 PolarHBondContact O-N 3.23Å; V825-L828 CarbonylContact O-C 3.55Å; V825-L828 PolarHBondContact O-N 3.5Å; V825-L828 VanDerWaalsContact O-N 3.17Å; V825-E829 HydrophobicContact CG1-CG 4.25Å; V825-E829 WeakPolarHBondContact O-CB 3.35Å; V825-E829 VanDerWaalsContact O-CG 3.31Å; V825-E829 WeakPolarHBondContact O-CG 3.23Å; V825-E829 PolarHBondContact O-N 2.79Å
826	S	82	Confident	76	Confident	67 Å²	67	100.2 Å²	100.2	47%	0.469	49%	0.493	S	S	.	.	H	α-helix	trans	-61.4	-31.9	175.9	-64.1	0	0	0	0	113.1	E822 R823 R830	E822-S826 WeakPolarHBondContact O-CB 3.49Å; E822-S826 PolarHBondContact O-N 3.08Å; E822-S826 PolarHBondContact O-OG 3.49Å; R823-S826 PolarHBondContact O-N 3.46Å; S826-R830 WeakPolarHBondContact O-CB 3.22Å; S826-R830 PolarHBondContact O-N 2.98Å
827	E	81.1	Confident	74.2	Confident	121 Å²	121	101.3 Å²	101.3	57%	0.565	50%	0.5	S	S	*	.	H	α-helix	trans	-79.8	-31.3	176	-171.8	157	-142.1	0	0	112.5	R823 Q824 V825 T831	R823-E827 WeakPolarHBondContact O-CB 3.3Å; R823-E827 PolarHBondContact O-N 2.92Å; Q824-E827 PolarHBondContact O-N 3.04Å; V825-E827 VanDerWaalsContact C-N 3.27Å; V825-E827 PolarHBondContact O-N 3.23Å; E827-T831 WeakPolarHBondContact O-CB 3.44Å; E827-T831 WeakPolarHBondContact O-CG2 3.37Å; E827-T831 PolarHBondContact O-N 3.36Å; E827-T831 PolarHBondContact O-OG1 3.07Å
828	L	76.2	Confident	72.5	Confident	116 Å²	116	102.2 Å²	102.2	61%	0.607	51%	0.51	S	S	*	.	H	α-helix	trans	-68.1	-40.1	167.5	-74	167.8	0	0	0	111.7	Q824 V825 T831 V832	Q824-L828 WeakPolarHBondContact O-CB 3.31Å; Q824-L828 VanDerWaalsContact O-CG 3.24Å; Q824-L828 WeakPolarHBondContact O-CG 3.34Å; Q824-L828 PolarHBondContact O-N 2.98Å; V825-L828 CarbonylContact O-C 3.55Å; V825-L828 PolarHBondContact O-N 3.5Å; V825-L828 VanDerWaalsContact O-N 3.17Å; L828-T831 WeakPolarHBondContact CA-OG1 3.45Å; L828-T831 PolarHBondContact O-N 3.43Å; L828-T831 PolarHBondContact O-OG1 3.06Å; L828-V832 WeakPolarHBondContact O-CB 3.38Å; L828-V832 VanDerWaalsContact O-CG2 3.24Å; L828-V832 WeakPolarHBondContact O-CG2 3.44Å; L828-V832 PolarHBondContact O-N 3.38Å
829	E	76.3	Confident	71.1	Confident	110 Å²	110	104.4 Å²	104.4	51%	0.514	52%	0.519	S	S	.	.	H	α-helix	trans	-65.4	-47.2	172.7	-73.2	172.4	157.7	0	0	110.2	V825 T831 V832 E833	V825-E829 HydrophobicContact CG1-CG 4.25Å; V825-E829 WeakPolarHBondContact O-CB 3.35Å; V825-E829 VanDerWaalsContact O-CG 3.31Å; V825-E829 WeakPolarHBondContact O-CG 3.23Å; V825-E829 PolarHBondContact O-N 2.79Å; E829-T831 VanDerWaalsContact C-N 3.31Å; E829-T831 PolarHBondContact O-N 2.74Å; E829-V832 CarbonylContact O-C 3.57Å; E829-V832 WeakPolarHBondContact O-CA 3.34Å; E829-V832 WeakPolarHBondContact O-CB 3.49Å; E829-V832 PolarHBondContact O-N 2.73Å; E829-V832 VanDerWaalsContact O-N 3.11Å; E829-E833 WeakPolarHBondContact O-CB 3.41Å; E829-E833 WeakPolarHBondContact O-CG 3.31Å; E829-E833 PolarHBondContact O-N 2.72Å
830	R	77.4	Confident	69.6	Low	118 Å²	118	104.6 Å²	104.6	45%	0.445	52%	0.523	S	S	.	.	H	α-helix	trans	-61.7	-35.9	176.1	-159.5	-169.9	83.3	70.1	14.7	112.6	S826 E833 E834	S826-R830 WeakPolarHBondContact O-CB 3.22Å; S826-R830 PolarHBondContact O-N 2.98Å; R830-E833 PolarHBondContact O-N 2.84Å; R830-E834 VanDerWaalsContact CZ-CD 3.5Å; R830-E834 IonicContact CZ-OE1 2.79Å; R830-E834 VanDerWaalsContact CZ-OE1 3.26Å; R830-E834 IonicContact CZ-OE2 2.81Å; R830-E834 IonicContact NH1-OE1 2.74Å; R830-E834 PolarHBondContact NH1-OE1 3.03Å; R830-E834 IonicContact NH1-OE2 3.18Å; R830-E834 IonicContact NH2-OE1 3.18Å; R830-E834 PolarHBondContact NH2-OE1 3.13Å; R830-E834 IonicContact NH2-OE2 3.58Å; R830-E834 PolarHBondContact NH2-OE2 3.38Å; R830-E834 WeakPolarHBondContact O-CB 3.32Å; R830-E834 WeakPolarHBondContact O-CG 3.44Å; R830-E834 PolarHBondContact O-N 3.36Å
831	T	70.1	Confident	68.5	Low	48 Å²	48	103.7 Å²	103.7	29%	0.294	53%	0.526	S	S	.	.	H	α-helix	trans	-77.8	-26.9	174.9	49.5	0	0	0	0	113	E827 L828 E829 Q835	E827-T831 WeakPolarHBondContact O-CB 3.44Å; E827-T831 WeakPolarHBondContact O-CG2 3.37Å; E827-T831 PolarHBondContact O-N 3.36Å; E827-T831 PolarHBondContact O-OG1 3.07Å; L828-T831 WeakPolarHBondContact CA-OG1 3.45Å; L828-T831 PolarHBondContact O-N 3.43Å; L828-T831 PolarHBondContact O-OG1 3.06Å; E829-T831 VanDerWaalsContact C-N 3.31Å; E829-T831 PolarHBondContact O-N 2.74Å; T831-Q835 WeakPolarHBondContact O-CB 3.47Å; T831-Q835 VanDerWaalsContact O-CG 3.27Å; T831-Q835 WeakPolarHBondContact O-CG 3.45Å; T831-Q835 PolarHBondContact O-N 3.02Å
832	V	67.8	Low	67.5	Low	68 Å²	68	102 Å²	102	41%	0.412	53%	0.526	S	S	.	.	H	α-helix	trans	-69.7	-38.4	166.4	166	0	0	0	0	110.9	L828 E829 Q835 Q836	L828-V832 WeakPolarHBondContact O-CB 3.38Å; L828-V832 VanDerWaalsContact O-CG2 3.24Å; L828-V832 WeakPolarHBondContact O-CG2 3.44Å; L828-V832 PolarHBondContact O-N 3.38Å; E829-V832 CarbonylContact O-C 3.57Å; E829-V832 WeakPolarHBondContact O-CA 3.34Å; E829-V832 WeakPolarHBondContact O-CB 3.49Å; E829-V832 PolarHBondContact O-N 2.73Å; E829-V832 VanDerWaalsContact O-N 3.11Å; V832-Q835 CarbonylContact O-C 3.47Å; V832-Q835 PolarHBondContact O-N 3.32Å; V832-Q836 HydrophobicContact CG1-CG 4.43Å; V832-Q836 VanDerWaalsContact CG1-NE2 3.33Å; V832-Q836 WeakPolarHBondContact O-CB 3.33Å; V832-Q836 VanDerWaalsContact O-CG 3.26Å; V832-Q836 WeakPolarHBondContact O-CG 3.38Å; V832-Q836 PolarHBondContact O-N 3.02Å
833	E	62.8	Low	66.5	Low	129 Å²	129	99.4 Å²	99.4	60%	0.603	52%	0.521	S	S	*	.	H	α-helix	trans	-71.8	-33.8	174.2	-72	-173.9	140.2	0	0	112.3	E829 R830 Q836 S837	E829-E833 WeakPolarHBondContact O-CB 3.41Å; E829-E833 WeakPolarHBondContact O-CG 3.31Å; E829-E833 PolarHBondContact O-N 2.72Å; R830-E833 PolarHBondContact O-N 2.84Å; E833-Q836 PolarHBondContact O-N 3.09Å; E833-S837 WeakPolarHBondContact O-CB 3.09Å; E833-S837 PolarHBondContact O-N 3.2Å; E833-S837 PolarHBondContact O-OG 2.9Å
834	E	59.1	Low	65.6	Low	96 Å²	96	97.1 Å²	97.1	45%	0.449	52%	0.516	S	S	.	.	H	α-helix	trans	-65.7	-36.9	167.7	-78.7	179.7	149.1	0	0	111.7	R830 S837 S838	R830-E834 VanDerWaalsContact CZ-CD 3.5Å; R830-E834 IonicContact CZ-OE1 2.79Å; R830-E834 VanDerWaalsContact CZ-OE1 3.26Å; R830-E834 IonicContact CZ-OE2 2.81Å; R830-E834 IonicContact NH1-OE1 2.74Å; R830-E834 PolarHBondContact NH1-OE1 3.03Å; R830-E834 IonicContact NH1-OE2 3.18Å; R830-E834 IonicContact NH2-OE1 3.18Å; R830-E834 PolarHBondContact NH2-OE1 3.13Å; R830-E834 IonicContact NH2-OE2 3.58Å; R830-E834 PolarHBondContact NH2-OE2 3.38Å; R830-E834 WeakPolarHBondContact O-CB 3.32Å; R830-E834 WeakPolarHBondContact O-CG 3.44Å; R830-E834 PolarHBondContact O-N 3.36Å; E834-S837 WeakPolarHBondContact CA-OG 3.36Å; E834-S837 PolarHBondContact O-OG 3.29Å; E834-S838 PolarHBondContact O-N 2.89Å
835	Q	55	Low	65	Low	142 Å²	142	96.6 Å²	96.6	66%	0.664	52%	0.52	S	S	*	.	H	α-helix	trans	-71	-34.7	172.6	-74.4	176.2	41	0	0	112.9	T831 V832 S838	T831-Q835 WeakPolarHBondContact O-CB 3.47Å; T831-Q835 VanDerWaalsContact O-CG 3.27Å; T831-Q835 WeakPolarHBondContact O-CG 3.45Å; T831-Q835 PolarHBondContact O-N 3.02Å; V832-Q835 CarbonylContact O-C 3.47Å; V832-Q835 PolarHBondContact O-N 3.32Å; Q835-S838 PolarHBondContact O-OG 3.14Å
836	Q	49.5	Very low	64.9	Low	135 Å²	135	99.7 Å²	99.7	63%	0.631	53%	0.528	S	S	*	.	H	α-helix	trans	-79.1	-38.8	177.8	-72.6	175.1	13.3	0	0	112.5	V832 E833 S838 K839	V832-Q836 HydrophobicContact CG1-CG 4.43Å; V832-Q836 VanDerWaalsContact CG1-NE2 3.33Å; V832-Q836 WeakPolarHBondContact O-CB 3.33Å; V832-Q836 VanDerWaalsContact O-CG 3.26Å; V832-Q836 WeakPolarHBondContact O-CG 3.38Å; V832-Q836 PolarHBondContact O-N 3.02Å; E833-Q836 PolarHBondContact O-N 3.09Å; Q836-S838 PolarHBondContact O-N 3.12Å; Q836-K839 PolarHBondContact O-N 2.94Å; Q836-K839 VanDerWaalsContact O-N 3.15Å
837	S	46.3	Very low	64.7	Low	85 Å²	85	103.6 Å²	103.6	59%	0.594	53%	0.532	S	S	*	.	H	α-helix	trans	-67.6	-20.9	175.7	56.3	0	0	0	0	112.9	E833 E834 K839	E833-S837 WeakPolarHBondContact O-CB 3.09Å; E833-S837 PolarHBondContact O-N 3.2Å; E833-S837 PolarHBondContact O-OG 2.9Å; E834-S837 WeakPolarHBondContact CA-OG 3.36Å; E834-S837 PolarHBondContact O-OG 3.29Å; S837-K839 PolarHBondContact O-N 3.17Å
838	S	51.4	Low	64.6	Low	88 Å²	88	99.9 Å²	99.9	62%	0.615	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-11.1	168.8	82	0	0	0	0	115.3	E834 Q835 Q836	E834-S838 PolarHBondContact O-N 2.89Å; Q835-S838 PolarHBondContact O-OG 3.14Å; Q836-S838 PolarHBondContact O-N 3.12Å
839	K	56.6	Low	64.6	Low	162 Å²	162	100 Å²	100	70%	0.704	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.8	64	178.1	-72.3	-173.4	178.8	173.3	0	113.2	Q836 S837 T841	Q836-K839 PolarHBondContact O-N 2.94Å; Q836-K839 VanDerWaalsContact O-N 3.15Å; S837-K839 PolarHBondContact O-N 3.17Å; K839-T841 HydrophobicContact CB-CG2 4.18Å; K839-T841 PolarHBondContact O-N 2.89Å
840	D	53.8	Low	64.7	Low	99 Å²	99	98.4 Å²	98.4	53%	0.529	51%	0.512	S	S	.	.			trans	-66	79.6	150.3	-173.5	-7.7	0	0	0	109.6	A842 A843 E844	D840-A842 PolarHBondContact O-N 3Å; D840-A842 WeakPolarHBondContact OD1-CA 3.3Å; D840-A842 WeakPolarHBondContact OD1-CB 3.44Å; D840-A842 PolarHBondContact OD1-N 2.66Å; D840-A843 HydrophobicContact CB-CB 4.03Å; D840-A843 VanDerWaalsContact CG-CB 3.41Å; D840-A843 PolarHBondContact O-N 3.32Å; D840-A843 PolarHBondContact OD1-N 2.91Å; D840-A843 VanDerWaalsContact OD2-CB 3.23Å; D840-A843 WeakPolarHBondContact OD2-CB 3.46Å; D840-E844 PolarHBondContact O-N 3.49Å
841	T	60.5	Low	64.7	Low	93 Å²	93	94.4 Å²	94.4	57%	0.571	51%	0.507	S	S	*	.	H	α-helix	trans	-61.5	-22.9	177.1	55.1	0	0	0	0	112.4	K839 V845	K839-T841 HydrophobicContact CB-CG2 4.18Å; K839-T841 PolarHBondContact O-N 2.89Å; T841-V845 VanDerWaalsContact O-CB 3.25Å; T841-V845 WeakPolarHBondContact O-CB 3.45Å; T841-V845 WeakPolarHBondContact O-CG2 3.45Å; T841-V845 PolarHBondContact O-N 2.92Å
842	A	59.2	Low	65.2	Low	67 Å²	67	93.4 Å²	93.4	55%	0.554	50%	0.501	S	S	*	.	H	α-helix	trans	-75.2	-42.7	175.6	0	0	0	0	0	111.1	D840 K846	D840-A842 PolarHBondContact O-N 3Å; D840-A842 WeakPolarHBondContact OD1-CA 3.3Å; D840-A842 WeakPolarHBondContact OD1-CB 3.44Å; D840-A842 PolarHBondContact OD1-N 2.66Å; A842-K846 WeakPolarHBondContact O-CB 3.39Å; A842-K846 PolarHBondContact O-N 2.96Å
843	A	62.9	Low	65.7	Low	40 Å²	40	95.7 Å²	95.7	33%	0.331	51%	0.506	S	S	.	.	H	α-helix	trans	-64.9	-39.6	171.2	0	0	0	0	0	112.2	D840 K846 R847	D840-A843 HydrophobicContact CB-CB 4.03Å; D840-A843 VanDerWaalsContact CG-CB 3.41Å; D840-A843 PolarHBondContact O-N 3.32Å; D840-A843 PolarHBondContact OD1-N 2.91Å; D840-A843 VanDerWaalsContact OD2-CB 3.23Å; D840-A843 WeakPolarHBondContact OD2-CB 3.46Å; A843-K846 PolarHBondContact O-N 3.34Å; A843-R847 WeakPolarHBondContact O-CB 3.42Å; A843-R847 PolarHBondContact O-N 3Å
844	E	67.3	Low	66.6	Low	85 Å²	85	95.4 Å²	95.4	40%	0.397	50%	0.504	S	S	.	.	H	α-helix	trans	-62.7	-52.9	176.9	-160.9	61.7	-141.5	0	0	111.3	D840 K846 R847 V848	D840-E844 PolarHBondContact O-N 3.49Å; E844-K846 VanDerWaalsContact C-N 3.3Å; E844-K846 PolarHBondContact O-N 3.22Å; E844-R847 WeakPolarHBondContact O-CB 3.48Å; E844-R847 PolarHBondContact O-N 2.83Å; E844-R847 VanDerWaalsContact O-N 3.14Å; E844-R847 IonicContact OE1-CZ 3.58Å; E844-R847 IonicContact OE1-NH1 3.63Å; E844-R847 PolarHBondContact OE1-NH1 2.86Å; E844-R847 IonicContact OE1-NH2 2.73Å; E844-R847 IonicContact OE2-CZ 3.53Å; E844-R847 IonicContact OE2-NH1 2.88Å; E844-R847 PolarHBondContact OE2-NH1 2.89Å; E844-R847 IonicContact OE2-NH2 3.47Å; E844-R847 PolarHBondContact OE2-NH2 2.81Å; E844-V848 WeakPolarHBondContact O-CG2 3.33Å; E844-V848 PolarHBondContact O-N 3.47Å
845	V	70.6	Confident	67.6	Low	92 Å²	92	93.5 Å²	93.5	56%	0.558	50%	0.501	S	S	*	.	H	α-helix	trans	-61.1	-38.1	175.6	168.4	0	0	0	0	111.4	T841 V848 M849	T841-V845 VanDerWaalsContact O-CB 3.25Å; T841-V845 WeakPolarHBondContact O-CB 3.45Å; T841-V845 WeakPolarHBondContact O-CG2 3.45Å; T841-V845 PolarHBondContact O-N 2.92Å; V845-V848 PolarHBondContact O-N 3.43Å; V845-M849 WeakPolarHBondContact O-CB 3.34Å; V845-M849 PolarHBondContact O-N 2.9Å
846	K	76.6	Confident	68.9	Low	133 Å²	133	88.3 Å²	88.3	58%	0.578	48%	0.478	S	S	*	.	H	α-helix	trans	-67.2	-36.3	175.9	-172.2	174.7	-177.6	-179.8	0	112.2	A842 A843 E844 N850	A842-K846 WeakPolarHBondContact O-CB 3.39Å; A842-K846 PolarHBondContact O-N 2.96Å; A843-K846 PolarHBondContact O-N 3.34Å; E844-K846 VanDerWaalsContact C-N 3.3Å; E844-K846 PolarHBondContact O-N 3.22Å; K846-N850 WeakPolarHBondContact O-CB 3.32Å; K846-N850 PolarHBondContact O-N 2.86Å; K846-N850 PolarHBondContact O-ND2 3.5Å; K846-N850 PolarHBondContact O-OD1 2.83Å
847	R	78.4	Confident	70.3	Confident	149 Å²	149	89.9 Å²	89.9	56%	0.562	48%	0.478	S	S	*	.	H	α-helix	trans	-64.6	-47.3	173.8	-158	-170.6	-48.1	122.3	14.9	110.7	A843 E844 G851	A843-R847 WeakPolarHBondContact O-CB 3.42Å; A843-R847 PolarHBondContact O-N 3Å; E844-R847 WeakPolarHBondContact O-CB 3.48Å; E844-R847 PolarHBondContact O-N 2.83Å; E844-R847 VanDerWaalsContact O-N 3.14Å; E844-R847 IonicContact OE1-CZ 3.58Å; E844-R847 IonicContact OE1-NH1 3.63Å; E844-R847 PolarHBondContact OE1-NH1 2.86Å; E844-R847 IonicContact OE1-NH2 2.73Å; E844-R847 IonicContact OE2-CZ 3.53Å; E844-R847 IonicContact OE2-NH1 2.88Å; E844-R847 PolarHBondContact OE2-NH1 2.89Å; E844-R847 IonicContact OE2-NH2 3.47Å; E844-R847 PolarHBondContact OE2-NH2 2.81Å; R847-G851 PolarHBondContact O-N 2.82Å
848	V	77.8	Confident	71.8	Confident	43 Å²	43	90 Å²	90	26%	0.261	48%	0.483	S	S	.	.	H	α-helix	trans	-61.4	-50.4	176.1	170.9	0	0	0	0	111.6	E844 V845 N850 G851 V852 V882 L886	E844-V848 WeakPolarHBondContact O-CG2 3.33Å; E844-V848 PolarHBondContact O-N 3.47Å; V845-V848 PolarHBondContact O-N 3.43Å; V848-N850 VanDerWaalsContact C-N 3.35Å; V848-N850 PolarHBondContact O-N 3.01Å; V848-G851 WeakPolarHBondContact O-CA 3.28Å; V848-G851 PolarHBondContact O-N 3.2Å; V848-G851 VanDerWaalsContact O-N 3.08Å; V848-V852 WeakPolarHBondContact O-CG2 3.37Å; V848-V852 PolarHBondContact O-N 3.45Å; V848-V882 HydrophobicContact CG1-CG1 4.23Å; V848-L886 HydrophobicContact CB-CD1 4.42Å; V848-L886 HydrophobicContact CG1-CD1 3.72Å; V848-L886 HydrophobicContact CG2-CD1 3.74Å; V848-L886 HydrophobicContact CG2-CD2 3.79Å; V848-L886 HydrophobicContact CG2-CG 4.39Å
849	M	76.9	Confident	73.1	Confident	119 Å²	119	91.5 Å²	91.5	59%	0.586	48%	0.481	S	S	*	.	H	α-helix	trans	-64.2	-39.3	-178.5	-173.2	175.2	68.4	0	0	111.8	V845 F853	V845-M849 WeakPolarHBondContact O-CB 3.34Å; V845-M849 PolarHBondContact O-N 2.9Å; M849-F853 WeakPolarHBondContact O-CB 3.35Å; M849-F853 PolarHBondContact O-N 2.95Å
850	N	79.8	Confident	74.2	Confident	76 Å²	76	86.2 Å²	86.2	41%	0.406	46%	0.458	S	S	.	.	H	α-helix	trans	-63.8	-40.4	171.3	-74.4	-6.9	0	0	0	111.5	K846 V848 F853 H854	K846-N850 WeakPolarHBondContact O-CB 3.32Å; K846-N850 PolarHBondContact O-N 2.86Å; K846-N850 PolarHBondContact O-ND2 3.5Å; K846-N850 PolarHBondContact O-OD1 2.83Å; V848-N850 VanDerWaalsContact C-N 3.35Å; V848-N850 PolarHBondContact O-N 3.01Å; N850-F853 PolarHBondContact O-N 2.96Å; N850-H854 PolarHBondContact O-N 3.43Å; N850-H854 PolarHBondContact O-ND1 3.05Å
851	G	76.9	Confident	75.2	Confident	34 Å²	34	85.9 Å²	85.9	35%	0.351	46%	0.456	S	S	.	.	H	α-helix	trans	-59.1	-53.6	174.7	0	0	0	0	0	112.1	R847 V848 F853 H854 S855	R847-G851 PolarHBondContact O-N 2.82Å; V848-G851 WeakPolarHBondContact O-CA 3.28Å; V848-G851 PolarHBondContact O-N 3.2Å; V848-G851 VanDerWaalsContact O-N 3.08Å; G851-F853 VanDerWaalsContact C-N 3.28Å; G851-F853 PolarHBondContact O-N 2.83Å; G851-H854 PolarHBondContact O-N 2.88Å; G851-H854 VanDerWaalsContact O-N 3.14Å; G851-S855 PolarHBondContact O-N 3.09Å; G851-S855 PolarHBondContact O-OG 3.33Å
852	V	80.3	Confident	75.8	Confident	27 Å²	27	89.8 Å²	89.8	16%	0.164	47%	0.473	C	S	.	.	H	α-helix	trans	-54.9	-43.8	175.3	175.2	0	0	0	0	111.1	V848 H854 S855 L856 I879 V882	V848-V852 WeakPolarHBondContact O-CG2 3.37Å; V848-V852 PolarHBondContact O-N 3.45Å; V852-H854 PolarHBondContact O-N 2.69Å; V852-S855 PolarHBondContact O-N 3.48Å; V852-L856 HydrophobicContact CG1-CD1 3.82Å; V852-L856 HydrophobicContact CG1-CG 4.26Å; V852-L856 WeakPolarHBondContact O-CB 3.4Å; V852-L856 VanDerWaalsContact O-CG 3.28Å; V852-L856 WeakPolarHBondContact O-CG 3.24Å; V852-L856 PolarHBondContact O-N 2.85Å; V852-I879 HydrophobicContact CG1-CG1 4.43Å; V852-V882 HydrophobicContact CG2-CB 4.06Å; V852-V882 HydrophobicContact CG2-CG1 3.84Å; V852-V882 HydrophobicContact CG2-CG2 4.05Å
853	F	78.5	Confident	76.4	Confident	116 Å²	116	91.4 Å²	91.4	51%	0.509	48%	0.48	S	S	.	.	H	α-helix	trans	-62.1	-42	178.3	179.8	-99.8	0	0	0	112.9	M849 N850 G851 R857	M849-F853 WeakPolarHBondContact O-CB 3.35Å; M849-F853 PolarHBondContact O-N 2.95Å; N850-F853 PolarHBondContact O-N 2.96Å; G851-F853 VanDerWaalsContact C-N 3.28Å; G851-F853 PolarHBondContact O-N 2.83Å; F853-R857 VanDerWaalsContact O-CB 3.24Å; F853-R857 WeakPolarHBondContact O-CB 3.32Å; F853-R857 PolarHBondContact O-N 3.24Å
854	H	80.9	Confident	76.9	Confident	123 Å²	123	95.5 Å²	95.5	57%	0.569	49%	0.492	S	S	*	.	H	α-helix	trans	-70.5	-40.6	177.5	-73.1	81.5	0	0	0	112.2	N850 G851 V852 R857 A858	N850-H854 PolarHBondContact O-N 3.43Å; N850-H854 PolarHBondContact O-ND1 3.05Å; G851-H854 PolarHBondContact O-N 2.88Å; G851-H854 VanDerWaalsContact O-N 3.14Å; V852-H854 PolarHBondContact O-N 2.69Å; H854-R857 PolarHBondContact O-N 3.23Å; H854-A858 PolarHBondContact O-N 2.89Å
855	S	80.9	Confident	77	Confident	55 Å²	55	97.2 Å²	97.2	39%	0.385	51%	0.514	S	S	.	.	H	α-helix	trans	-61.7	-45.4	174.3	-62.2	0	0	0	0	112	G851 V852 R857 A858 E859	G851-S855 PolarHBondContact O-N 3.09Å; G851-S855 PolarHBondContact O-OG 3.33Å; V852-S855 PolarHBondContact O-N 3.48Å; S855-R857 VanDerWaalsContact C-N 3.34Å; S855-R857 PolarHBondContact O-N 2.87Å; S855-A858 PolarHBondContact O-N 2.87Å; S855-E859 WeakPolarHBondContact O-CG 3.3Å; S855-E859 PolarHBondContact O-N 3.43Å
856	L	81.6	Confident	77.4	Confident	34 Å²	34	96.6 Å²	96.6	18%	0.178	50%	0.502	C	S	.	.	H	α-helix	trans	-64.1	-38.1	175.5	-69.2	175.6	0	0	0	112.3	V852 A858 E859 F860 V874 I875 T878	V852-L856 HydrophobicContact CG1-CD1 3.82Å; V852-L856 HydrophobicContact CG1-CG 4.26Å; V852-L856 WeakPolarHBondContact O-CB 3.4Å; V852-L856 VanDerWaalsContact O-CG 3.28Å; V852-L856 WeakPolarHBondContact O-CG 3.24Å; V852-L856 PolarHBondContact O-N 2.85Å; L856-A858 VanDerWaalsContact C-N 3.26Å; L856-A858 PolarHBondContact O-N 2.75Å; L856-E859 PolarHBondContact O-N 3.06Å; L856-F860 WeakPolarHBondContact O-CD2 3.3Å; L856-V874 HydrophobicContact CD2-CG1 4.25Å; L856-I875 HydrophobicContact CD1-CG1 4.37Å; L856-I875 HydrophobicContact CD2-CB 4.45Å; L856-I875 HydrophobicContact CD2-CG1 3.96Å; L856-T878 HydrophobicContact CD2-CG2 3.86Å; L856-T878 HydrophobicContact CG-CG2 4.03Å
857	R	78.9	Confident	77.6	Confident	168 Å²	168	93.1 Å²	93.1	63%	0.634	50%	0.495	S	S	*	.	H	α-helix	trans	-69.3	-21.8	177.8	-173.1	171.8	-178.8	171.3	1.5	113.4	F853 H854 S855	F853-R857 VanDerWaalsContact O-CB 3.24Å; F853-R857 WeakPolarHBondContact O-CB 3.32Å; F853-R857 PolarHBondContact O-N 3.24Å; H854-R857 PolarHBondContact O-N 3.23Å; S855-R857 VanDerWaalsContact C-N 3.34Å; S855-R857 PolarHBondContact O-N 2.87Å
858	A	77.6	Confident	77.3	Confident	86 Å²	86	88.9 Å²	88.9	71%	0.711	50%	0.498	S	S	*	.	H	α-helix	trans	-80.2	-22.9	174.5	0	0	0	0	0	113.3	H854 S855 L856	H854-A858 PolarHBondContact O-N 2.89Å; S855-A858 PolarHBondContact O-N 2.87Å; L856-A858 VanDerWaalsContact C-N 3.26Å; L856-A858 PolarHBondContact O-N 2.75Å
859	E	79.6	Confident	77.2	Confident	121 Å²	121	94.9 Å²	94.9	57%	0.565	52%	0.522	S	S	*	.	S	Bend	trans	-91	-1	-177.9	-64.1	-77.4	175	0	0	113.5	S855 L856 V874	S855-E859 WeakPolarHBondContact O-CG 3.3Å; S855-E859 PolarHBondContact O-N 3.43Å; L856-E859 PolarHBondContact O-N 3.06Å; E859-V874 HydrophobicContact CB-CG1 3.72Å; E859-V874 HydrophobicContact CG-CG1 4.14Å
860	F	79.9	Confident	77.2	Confident	50 Å²	50	92.6 Å²	92.6	22%	0.219	52%	0.515	C	S	.	.			trans	-133.8	115.9	-179.9	-60.4	-59.6	0	0	0	112	L856 Y866 V871 V874	L856-F860 WeakPolarHBondContact O-CD2 3.3Å; F860-Y866 HydrophobicContact CB-CD2 4.44Å; F860-Y866 HydrophobicContact CB-CE2 3.89Å; F860-Y866 HydrophobicContact CD1-CD1 4.45Å; F860-Y866 AromaticContact CD1-CD2 3.67Å; F860-Y866 HydrophobicContact CD1-CD2 3.67Å; F860-Y866 AromaticContact CD1-CE2 3.73Å; F860-Y866 HydrophobicContact CD1-CE2 3.73Å; F860-Y866 HydrophobicContact CD1-CG 4.05Å; F860-Y866 HydrophobicContact CE1-CD2 4.41Å; F860-Y866 HydrophobicContact CE1-CG 4.43Å; F860-Y866 HydrophobicContact CG-CD2 4.44Å; F860-Y866 HydrophobicContact CG-CE2 4.27Å; F860-V871 HydrophobicContact CE1-CB 4.38Å; F860-V871 HydrophobicContact CE1-CG1 4.5Å; F860-V871 HydrophobicContact CE1-CG2 3.95Å; F860-V871 HydrophobicContact CZ-CB 4.23Å; F860-V871 HydrophobicContact CZ-CG1 3.96Å; F860-V871 HydrophobicContact CZ-CG2 4.23Å; F860-V874 HydrophobicContact CE1-CB 4.21Å; F860-V874 HydrophobicContact CE1-CG1 4.22Å; F860-V874 HydrophobicContact CE1-CG2 4.32Å; F860-V874 HydrophobicContact CE2-CG1 4.05Å; F860-V874 HydrophobicContact CZ-CB 3.75Å; F860-V874 HydrophobicContact CZ-CG1 3.64Å; F860-V874 HydrophobicContact CZ-CG2 4.37Å
861	D	75.1	Confident	77.3	Confident	93 Å²	93	91 Å²	91	50%	0.497	51%	0.509	S	S	.	.			trans	-79.3	139.9	170.5	-165	-55.5	0	0	0	110.4	S863 E864 Y866	D861-S863 VanDerWaalsContact CG-OG 3.32Å; D861-S863 PolarHBondContact O-N 3.34Å; D861-S863 WeakPolarHBondContact OD1-CB 3.33Å; D861-S863 PolarHBondContact OD1-N 2.96Å; D861-S863 PolarHBondContact OD1-OG 2.88Å; D861-E864 HydrophobicContact CB-CG 4.33Å; D861-Y866 PolarHBondContact N-OH 3.49Å; D861-Y866 WeakPolarHBondContact O-CE2 3.33Å
862	L	73.3	Confident	77.4	Confident	174 Å²	174	94.7 Å²	94.7	91%	0.911	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-6.5	178.8	-67.6	171.7	0	0	0	113.7
863	S	70.1	Confident	77.4	Confident	102 Å²	102	95 Å²	95	71%	0.713	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-7.9	179.1	66.2	0	0	0	0	114.6	D861	D861-S863 VanDerWaalsContact CG-OG 3.32Å; D861-S863 PolarHBondContact O-N 3.34Å; D861-S863 WeakPolarHBondContact OD1-CB 3.33Å; D861-S863 PolarHBondContact OD1-N 2.96Å; D861-S863 PolarHBondContact OD1-OG 2.88Å
864	E	74.7	Confident	77.6	Confident	125 Å²	125	91 Å²	91	58%	0.584	51%	0.513	S	S	*	.	S	Bend	trans	-105.3	152.6	-178.9	-66.6	-164.7	137.2	0	0	113.4	D861 Y866	D861-E864 HydrophobicContact CB-CG 4.33Å; E864-Y866 HydrophobicContact CB-CE1 4.05Å; E864-Y866 HydrophobicContact CB-CE2 4Å; E864-Y866 WeakPolarHBondContact CB-OH 3.28Å; E864-Y866 WeakPolarHBondContact OE2-CE1 3.26Å; E864-Y866 VanDerWaalsContact OE2-CZ 3.29Å; E864-Y866 PolarHBondContact OE2-OH 3.46Å
865	S	68	Low	77.7	Confident	122 Å²	122	87.8 Å²	87.8	85%	0.853	50%	0.5	S	S	*	.			trans	-104.9	97.5	178.4	62.6	0	0	0	0	111.8
866	Y	79.8	Confident	77.6	Confident	78 Å²	78	89.2 Å²	89.2	31%	0.306	51%	0.506	S	S	.	.			trans	-81.8	147.5	-178.6	-57.5	-68.7	0	0	0	113.7	F860 D861 E864 V871	F860-Y866 HydrophobicContact CB-CD2 4.44Å; F860-Y866 HydrophobicContact CB-CE2 3.89Å; F860-Y866 HydrophobicContact CD1-CD1 4.45Å; F860-Y866 AromaticContact CD1-CD2 3.67Å; F860-Y866 HydrophobicContact CD1-CD2 3.67Å; F860-Y866 AromaticContact CD1-CE2 3.73Å; F860-Y866 HydrophobicContact CD1-CE2 3.73Å; F860-Y866 HydrophobicContact CD1-CG 4.05Å; F860-Y866 HydrophobicContact CE1-CD2 4.41Å; F860-Y866 HydrophobicContact CE1-CG 4.43Å; F860-Y866 HydrophobicContact CG-CD2 4.44Å; F860-Y866 HydrophobicContact CG-CE2 4.27Å; D861-Y866 PolarHBondContact N-OH 3.49Å; D861-Y866 WeakPolarHBondContact O-CE2 3.33Å; E864-Y866 HydrophobicContact CB-CE1 4.05Å; E864-Y866 HydrophobicContact CB-CE2 4Å; E864-Y866 WeakPolarHBondContact CB-OH 3.28Å; E864-Y866 WeakPolarHBondContact OE2-CE1 3.26Å; E864-Y866 VanDerWaalsContact OE2-CZ 3.29Å; E864-Y866 PolarHBondContact OE2-OH 3.46Å; Y866-V871 HydrophobicContact CG-CG2 4.48Å
867	S	80	Confident	77.7	Confident	61 Å²	61	91.1 Å²	91.1	43%	0.427	52%	0.519	S	S	.	.			trans	-76.7	146	170.6	94.7	0	0	0	0	110.9	Q869 T870 V871	S867-Q869 PolarHBondContact O-N 3.29Å; S867-T870 WeakPolarHBondContact O-CA 3.38Å; S867-T870 WeakPolarHBondContact O-CB 3.19Å; S867-T870 PolarHBondContact O-N 2.79Å; S867-T870 PolarHBondContact OG-N 2.75Å; S867-T870 VanDerWaalsContact OG-N 3.11Å; S867-T870 PolarHBondContact OG-OG1 2.88Å; S867-V871 WeakPolarHBondContact O-CG2 3.28Å; S867-V871 PolarHBondContact O-N 3.05Å
868	G	73.6	Confident	77.9	Confident	60 Å²	60	83.8 Å²	83.8	62%	0.619	49%	0.493	S	S	*	.	H	α-helix	trans	-58.5	-30.9	179.3	0	0	0	0	0	113.9	L872	G868-L872 WeakPolarHBondContact O-CB 3.39Å; G868-L872 PolarHBondContact O-N 2.89Å
869	Q	75.4	Confident	78.1	Confident	168 Å²	168	83.4 Å²	83.4	79%	0.785	48%	0.478	S	S	*	.	H	α-helix	trans	-73.5	-35.3	175.8	-167.2	172.7	5	0	0	112	S867 G873	S867-Q869 PolarHBondContact O-N 3.29Å; Q869-G873 PolarHBondContact O-N 3.38Å
870	T	77.4	Confident	78.1	Confident	71 Å²	71	83.9 Å²	83.9	44%	0.436	48%	0.478	S	S	.	.	H	α-helix	trans	-64.4	-49	171.3	-48.3	0	0	0	0	110.6	S867 L872 G873 V874	S867-T870 WeakPolarHBondContact O-CA 3.38Å; S867-T870 WeakPolarHBondContact O-CB 3.19Å; S867-T870 PolarHBondContact O-N 2.79Å; S867-T870 PolarHBondContact OG-N 2.75Å; S867-T870 VanDerWaalsContact OG-N 3.11Å; S867-T870 PolarHBondContact OG-OG1 2.88Å; T870-L872 PolarHBondContact O-N 3.43Å; T870-G873 PolarHBondContact O-N 2.8Å; T870-V874 WeakPolarHBondContact O-CG2 3.42Å; T870-V874 PolarHBondContact O-N 2.85Å
871	V	81.3	Confident	78.1	Confident	44 Å²	44	85.8 Å²	85.8	27%	0.267	49%	0.491	S	S	.	.	H	α-helix	trans	-58.9	-46.6	178.8	174.2	0	0	0	0	110.9	F860 Y866 S867 G873 V874 I875	F860-V871 HydrophobicContact CE1-CB 4.38Å; F860-V871 HydrophobicContact CE1-CG1 4.5Å; F860-V871 HydrophobicContact CE1-CG2 3.95Å; F860-V871 HydrophobicContact CZ-CB 4.23Å; F860-V871 HydrophobicContact CZ-CG1 3.96Å; F860-V871 HydrophobicContact CZ-CG2 4.23Å; Y866-V871 HydrophobicContact CG-CG2 4.48Å; S867-V871 WeakPolarHBondContact O-CG2 3.28Å; S867-V871 PolarHBondContact O-N 3.05Å; V871-G873 PolarHBondContact O-N 3.2Å; V871-V874 PolarHBondContact O-N 2.87Å; V871-I875 HydrophobicContact CG1-CD1 3.69Å; V871-I875 HydrophobicContact CG1-CG1 4.46Å; V871-I875 WeakPolarHBondContact O-CB 3.14Å; V871-I875 VanDerWaalsContact O-CG1 3.27Å; V871-I875 WeakPolarHBondContact O-CG1 3.36Å; V871-I875 PolarHBondContact O-N 2.91Å
872	L	79.4	Confident	78.2	Confident	110 Å²	110	82.5 Å²	82.5	58%	0.576	47%	0.474	S	S	*	.	H	α-helix	trans	-63.1	-40.5	177	-174.1	63.7	0	0	0	112.2	G868 T870 I875 V876	G868-L872 WeakPolarHBondContact O-CB 3.39Å; G868-L872 PolarHBondContact O-N 2.89Å; T870-L872 PolarHBondContact O-N 3.43Å; L872-I875 PolarHBondContact O-N 2.87Å; L872-V876 HydrophobicContact CD1-CG2 4.22Å; L872-V876 HydrophobicContact CG-CG2 4.44Å; L872-V876 WeakPolarHBondContact O-CB 3.46Å; L872-V876 WeakPolarHBondContact O-CG2 3.36Å; L872-V876 PolarHBondContact O-N 2.91Å
873	G	78.6	Confident	78.3	Confident	34 Å²	34	77.5 Å²	77.5	35%	0.351	45%	0.451	S	S	.	.	H	α-helix	trans	-61.6	-45.3	176.7	0	0	0	0	0	113.1	Q869 T870 V871 T877	Q869-G873 PolarHBondContact O-N 3.38Å; T870-G873 PolarHBondContact O-N 2.8Å; V871-G873 PolarHBondContact O-N 3.2Å; G873-T877 VanDerWaalsContact O-CB 3.28Å; G873-T877 WeakPolarHBondContact O-CB 3.32Å; G873-T877 PolarHBondContact O-N 3.47Å; G873-T877 PolarHBondContact O-OG1 3.38Å
874	V	83.3	Confident	78.6	Confident	32 Å²	32	77.2 Å²	77.2	19%	0.194	44%	0.441	C	S	.	.	H	α-helix	trans	-63	-47.8	174.2	171.6	0	0	0	0	110.6	L856 E859 F860 T870 V871 V876 T877 T878	L856-V874 HydrophobicContact CD2-CG1 4.25Å; E859-V874 HydrophobicContact CB-CG1 3.72Å; E859-V874 HydrophobicContact CG-CG1 4.14Å; F860-V874 HydrophobicContact CE1-CB 4.21Å; F860-V874 HydrophobicContact CE1-CG1 4.22Å; F860-V874 HydrophobicContact CE1-CG2 4.32Å; F860-V874 HydrophobicContact CE2-CG1 4.05Å; F860-V874 HydrophobicContact CZ-CB 3.75Å; F860-V874 HydrophobicContact CZ-CG1 3.64Å; F860-V874 HydrophobicContact CZ-CG2 4.37Å; T870-V874 WeakPolarHBondContact O-CG2 3.42Å; T870-V874 PolarHBondContact O-N 2.85Å; V871-V874 PolarHBondContact O-N 2.87Å; V874-V876 PolarHBondContact O-N 3.47Å; V874-T877 PolarHBondContact O-N 3.48Å; V874-T878 PolarHBondContact O-N 2.92Å; V874-T878 PolarHBondContact O-OG1 2.99Å
875	I	82.6	Confident	78.3	Confident	56 Å²	56	76.2 Å²	76.2	29%	0.287	44%	0.436	S	S	.	.	H	α-helix	trans	-57.9	-50.2	179.4	-71.4	169.8	0	0	0	111.8	L856 V871 L872 T877 T878 I879	L856-I875 HydrophobicContact CD1-CG1 4.37Å; L856-I875 HydrophobicContact CD2-CB 4.45Å; L856-I875 HydrophobicContact CD2-CG1 3.96Å; V871-I875 HydrophobicContact CG1-CD1 3.69Å; V871-I875 HydrophobicContact CG1-CG1 4.46Å; V871-I875 WeakPolarHBondContact O-CB 3.14Å; V871-I875 VanDerWaalsContact O-CG1 3.27Å; V871-I875 WeakPolarHBondContact O-CG1 3.36Å; V871-I875 PolarHBondContact O-N 2.91Å; L872-I875 PolarHBondContact O-N 2.87Å; I875-T877 VanDerWaalsContact C-N 3.31Å; I875-T877 PolarHBondContact O-N 3.41Å; I875-T878 PolarHBondContact O-N 3.27Å; I875-I879 HydrophobicContact CG2-CD1 3.7Å; I875-I879 WeakPolarHBondContact O-CB 3.26Å; I875-I879 VanDerWaalsContact O-CG1 3.26Å; I875-I879 WeakPolarHBondContact O-CG1 3.24Å; I875-I879 PolarHBondContact O-N 3.35Å
876	V	80.6	Confident	78.5	Confident	84 Å²	84	75 Å²	75	51%	0.509	42%	0.42	S	S	.	.	H	α-helix	trans	-64.2	-37.4	179.2	171.7	0	0	0	0	111.4	L872 V874 K880	L872-V876 HydrophobicContact CD1-CG2 4.22Å; L872-V876 HydrophobicContact CG-CG2 4.44Å; L872-V876 WeakPolarHBondContact O-CB 3.46Å; L872-V876 WeakPolarHBondContact O-CG2 3.36Å; L872-V876 PolarHBondContact O-N 2.91Å; V874-V876 PolarHBondContact O-N 3.47Å; V876-K880 WeakPolarHBondContact O-CB 3.48Å; V876-K880 PolarHBondContact O-N 2.62Å
877	T	82.1	Confident	77.8	Confident	74 Å²	74	78 Å²	78	45%	0.454	44%	0.44	S	S	.	.	H	α-helix	trans	-68.2	-46	178.8	-58.3	0	0	0	0	111.8	G873 V874 I875 K880 N881	G873-T877 VanDerWaalsContact O-CB 3.28Å; G873-T877 WeakPolarHBondContact O-CB 3.32Å; G873-T877 PolarHBondContact O-N 3.47Å; G873-T877 PolarHBondContact O-OG1 3.38Å; V874-T877 PolarHBondContact O-N 3.48Å; I875-T877 VanDerWaalsContact C-N 3.31Å; I875-T877 PolarHBondContact O-N 3.41Å; T877-K880 PolarHBondContact O-N 3.05Å; T877-N881 WeakPolarHBondContact O-CB 3.48Å; T877-N881 PolarHBondContact O-N 2.86Å; T877-N881 PolarHBondContact O-OD1 3.39Å
878	T	83.3	Confident	77	Confident	14 Å²	14	78.9 Å²	78.9	9%	0.086	45%	0.446	C	S	.	.	H	α-helix	trans	-66.1	-41.8	178.3	-61.2	0	0	0	0	111.8	L856 V874 I875 K880 N881 V882	L856-T878 HydrophobicContact CD2-CG2 3.86Å; L856-T878 HydrophobicContact CG-CG2 4.03Å; V874-T878 PolarHBondContact O-N 2.92Å; V874-T878 PolarHBondContact O-OG1 2.99Å; I875-T878 PolarHBondContact O-N 3.27Å; T878-K880 PolarHBondContact O-N 2.93Å; T878-N881 PolarHBondContact O-N 3.13Å; T878-V882 WeakPolarHBondContact O-CG2 3.5Å; T878-V882 PolarHBondContact O-N 2.96Å
879	I	81.1	Confident	75.9	Confident	79 Å²	79	79.3 Å²	79.3	41%	0.405	45%	0.451	S	S	.	.	H	α-helix	trans	-60.3	-46	172.9	-69.3	169.5	0	0	0	110.6	V852 I875 N881 T883	V852-I879 HydrophobicContact CG1-CG1 4.43Å; I875-I879 HydrophobicContact CG2-CD1 3.7Å; I875-I879 WeakPolarHBondContact O-CB 3.26Å; I875-I879 VanDerWaalsContact O-CG1 3.26Å; I875-I879 WeakPolarHBondContact O-CG1 3.24Å; I875-I879 PolarHBondContact O-N 3.35Å; I879-N881 PolarHBondContact O-N 3.1Å; I879-T883 VanDerWaalsContact O-CB 3.28Å; I879-T883 WeakPolarHBondContact O-CB 3.41Å; I879-T883 PolarHBondContact O-N 3.38Å; I879-T883 PolarHBondContact O-OG1 2.85Å
880	K	80.4	Confident	74.2	Confident	131 Å²	131	74.2 Å²	74.2	57%	0.57	44%	0.437	S	S	*	.	H	α-helix	trans	-60.5	-44.9	177.5	-178.3	-178	177.6	-174.3	0	111.8	V876 T877 T878 T883 L884	V876-K880 WeakPolarHBondContact O-CB 3.48Å; V876-K880 PolarHBondContact O-N 2.62Å; T877-K880 PolarHBondContact O-N 3.05Å; T878-K880 PolarHBondContact O-N 2.93Å; K880-T883 PolarHBondContact O-N 2.9Å; K880-L884 HydrophobicContact CG-CD1 4.11Å; K880-L884 WeakPolarHBondContact O-CG 3.19Å; K880-L884 PolarHBondContact O-N 3.01Å
881	N	79	Confident	72.3	Confident	89 Å²	89	78.1 Å²	78.1	48%	0.476	46%	0.455	S	S	.	.	H	α-helix	trans	-66.2	-46.2	-178.5	-70.5	-8.9	0	0	0	111.9	T877 T878 I879 T883 L884 Q885	T877-N881 WeakPolarHBondContact O-CB 3.48Å; T877-N881 PolarHBondContact O-N 2.86Å; T877-N881 PolarHBondContact O-OD1 3.39Å; T878-N881 PolarHBondContact O-N 3.13Å; I879-N881 PolarHBondContact O-N 3.1Å; N881-T883 VanDerWaalsContact C-N 3.33Å; N881-T883 PolarHBondContact O-N 3.24Å; N881-L884 PolarHBondContact O-N 3.45Å; N881-Q885 WeakPolarHBondContact O-CB 3.44Å; N881-Q885 PolarHBondContact O-N 2.9Å
882	V	79.1	Confident	70.1	Confident	24 Å²	24	81.6 Å²	81.6	15%	0.145	48%	0.481	C	S	.	.	H	α-helix	trans	-65.6	-37.3	176	175.7	0	0	0	0	111.2	V848 V852 T878 Q885 L886	V848-V882 HydrophobicContact CG1-CG1 4.23Å; V852-V882 HydrophobicContact CG2-CB 4.06Å; V852-V882 HydrophobicContact CG2-CG1 3.84Å; V852-V882 HydrophobicContact CG2-CG2 4.05Å; T878-V882 WeakPolarHBondContact O-CG2 3.5Å; T878-V882 PolarHBondContact O-N 2.96Å; V882-Q885 PolarHBondContact O-N 3.2Å; V882-L886 HydrophobicContact CG1-CD1 4.04Å; V882-L886 HydrophobicContact CG1-CG 4.48Å; V882-L886 WeakPolarHBondContact O-CG 3.24Å; V882-L886 PolarHBondContact O-N 2.89Å
883	T	73.8	Confident	68	Low	69 Å²	69	81.3 Å²	81.3	42%	0.423	49%	0.488	S	S	.	.	H	α-helix	trans	-62.8	-43.9	175	-56.1	0	0	0	0	111.5	I879 K880 N881 L886 L887	I879-T883 VanDerWaalsContact O-CB 3.28Å; I879-T883 WeakPolarHBondContact O-CB 3.41Å; I879-T883 PolarHBondContact O-N 3.38Å; I879-T883 PolarHBondContact O-OG1 2.85Å; K880-T883 PolarHBondContact O-N 2.9Å; N881-T883 VanDerWaalsContact C-N 3.33Å; N881-T883 PolarHBondContact O-N 3.24Å; T883-L886 PolarHBondContact O-N 3.41Å; T883-L887 HydrophobicContact CG2-CD1 4.03Å; T883-L887 WeakPolarHBondContact O-CB 3.2Å; T883-L887 VanDerWaalsContact O-CG 3.29Å; T883-L887 WeakPolarHBondContact O-CG 3.41Å; T883-L887 PolarHBondContact O-N 3.41Å
884	L	76.5	Confident	65.9	Low	96 Å²	96	84.7 Å²	84.7	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-64.2	-39.8	175.1	-74.3	168.1	0	0	0	111.8	K880 N881 L886 L887 S888	K880-L884 HydrophobicContact CG-CD1 4.11Å; K880-L884 WeakPolarHBondContact O-CG 3.19Å; K880-L884 PolarHBondContact O-N 3.01Å; N881-L884 PolarHBondContact O-N 3.45Å; L884-L886 PolarHBondContact O-N 2.85Å; L884-L887 PolarHBondContact O-N 2.94Å; L884-S888 WeakPolarHBondContact O-CB 3.5Å; L884-S888 PolarHBondContact O-N 3.36Å; L884-S888 PolarHBondContact O-OG 2.92Å
885	Q	69.2	Low	63.4	Low	105 Å²	105	91.4 Å²	91.4	49%	0.491	54%	0.54	S	S	.	.	H	α-helix	trans	-63.9	-40.9	178.9	-163.1	167.8	10.3	0	0	111.8	N881 V882 S888	N881-Q885 WeakPolarHBondContact O-CB 3.44Å; N881-Q885 PolarHBondContact O-N 2.9Å; V882-Q885 PolarHBondContact O-N 3.2Å; Q885-S888 PolarHBondContact O-N 3.11Å; Q885-S888 PolarHBondContact O-OG 2.85Å
886	L	71.8	Confident	60.9	Low	96 Å²	96	97.8 Å²	97.8	50%	0.503	57%	0.565	S	S	.	*	H	α-helix	trans	-66.7	-38.4	173.2	-69.8	166	0	0	0	113.1	V848 V882 T883 L884 S888	V848-L886 HydrophobicContact CB-CD1 4.42Å; V848-L886 HydrophobicContact CG1-CD1 3.72Å; V848-L886 HydrophobicContact CG2-CD1 3.74Å; V848-L886 HydrophobicContact CG2-CD2 3.79Å; V848-L886 HydrophobicContact CG2-CG 4.39Å; V882-L886 HydrophobicContact CG1-CD1 4.04Å; V882-L886 HydrophobicContact CG1-CG 4.48Å; V882-L886 WeakPolarHBondContact O-CG 3.24Å; V882-L886 PolarHBondContact O-N 2.89Å; T883-L886 PolarHBondContact O-N 3.41Å; L884-L886 PolarHBondContact O-N 2.85Å; L886-S888 VanDerWaalsContact C-N 3.28Å; L886-S888 PolarHBondContact O-N 3.4Å
887	L	65.3	Low	58.7	Low	142 Å²	142	99.6 Å²	99.6	74%	0.743	58%	0.579	S	S	*	*	H	α-helix	trans	-72.9	-19.4	176.3	-70.8	170.2	0	0	0	113.4	T883 L884	T883-L887 HydrophobicContact CG2-CD1 4.03Å; T883-L887 WeakPolarHBondContact O-CB 3.2Å; T883-L887 VanDerWaalsContact O-CG 3.29Å; T883-L887 WeakPolarHBondContact O-CG 3.41Å; T883-L887 PolarHBondContact O-N 3.41Å; L884-L887 PolarHBondContact O-N 2.94Å
888	S	62.8	Low	56.2	Low	79 Å²	79	102.8 Å²	102.8	55%	0.552	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-6.9	-178.5	71.6	0	0	0	0	115.1	L884 Q885 L886 A890	L884-S888 WeakPolarHBondContact O-CB 3.5Å; L884-S888 PolarHBondContact O-N 3.36Å; L884-S888 PolarHBondContact O-OG 2.92Å; Q885-S888 PolarHBondContact O-N 3.11Å; Q885-S888 PolarHBondContact O-OG 2.85Å; L886-S888 VanDerWaalsContact C-N 3.28Å; L886-S888 PolarHBondContact O-N 3.4Å; S888-A890 VanDerWaalsContact C-N 3.28Å; S888-A890 PolarHBondContact O-N 2.92Å
889	G	49.8	Very low	53.8	Low	69 Å²	69	110 Å²	110	71%	0.711	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.6	23.2	175	0	0	0	0	0	115.4
890	A	40.6	Very low	51.5	Low	61 Å²	61	115 Å²	115	50%	0.504	65%	0.65	S	S	.	*			trans	-88.4	114.6	-179.4	0	0	0	0	0	111.7	S888 C892	S888-A890 VanDerWaalsContact C-N 3.28Å; S888-A890 PolarHBondContact O-N 2.92Å; A890-C892 PolarHBondContact O-N 2.6Å
891	D	38.2	Very low	49.1	Very low	152 Å²	152	117.2 Å²	117.2	81%	0.813	66%	0.662	S	S	*	*			trans	-56.2	120.4	177.3	-79	-50.8	0	0	0	112.3	S893	D891-S893 VanDerWaalsContact C-N 3.29Å; D891-S893 PolarHBondContact O-N 3.4Å
892	C	34.6	Very low	46.9	Very low	118 Å²	118	121.1 Å²	121.1	80%	0.797	68%	0.678	S	S	*	*			trans	-85.7	67	-178.4	-159.8	0	0	0	0	111.3	A890	A890-C892 PolarHBondContact O-N 2.6Å
893	S	36.3	Very low	44.5	Very low	103 Å²	103	126.1 Å²	126.1	72%	0.72	70%	0.704	S	S	*	*			trans	-113.3	45.1	-170.7	66.8	0	0	0	0	114.5	D891	D891-S893 VanDerWaalsContact C-N 3.29Å; D891-S893 PolarHBondContact O-N 3.4Å
894	S	34.4	Very low	42.5	Very low	105 Å²	105	128.7 Å²	128.7	73%	0.734	72%	0.715	S	S	*	*			trans	-155.8	55.5	-179.9	55.9	0	0	0	0	117.2
895	L	29.4	Very low	40.4	Very low	174 Å²	174	131.2 Å²	131.2	91%	0.911	72%	0.722	S	S	*	*			trans	-137.1	101.9	154.9	-77.5	-177.8	0	0	0	111.9
896	K	30.9	Very low	38.6	Very low	189 Å²	189	133 Å²	133	82%	0.822	74%	0.735	S	S	*	*			trans	-83.9	131	156.7	-89.5	-171.3	172.1	-171.5	0	108.8
897	P	34.6	Very low	36.7	Very low	123 Å²	123	135.1 Å²	135.1	80%	0.799	75%	0.747	S	S	*	*			trans	-80.7	110.1	151.6	31.4	-26.6	0	0	0	108.5
898	D	29.9	Very low	35.3	Very low	141 Å²	141	137 Å²	137	75%	0.754	75%	0.752	S	S	*	*			trans	-73.4	127.9	152.3	-95.1	-50.5	0	0	0	107.4
899	N	32.6	Very low	33.9	Very low	165 Å²	165	136.7 Å²	136.7	88%	0.882	76%	0.76	S	S	*	*			trans	-154	130.4	152.7	-111.6	-5.2	0	0	0	108.8
900	K	32.6	Very low	33.3	Very low	183 Å²	183	143 Å²	143	80%	0.796	77%	0.772	S	S	*	*			trans	-108.7	137.3	169.1	-65.6	179.2	178.3	-177.7	0	108.2
901	E	30.7	Very low	33	Very low	178 Å²	178	146.3 Å²	146.3	83%	0.832	78%	0.781	S	S	*	*			trans	-175.3	126.5	143.8	-97.5	151.8	-148.9	0	0	102.8
902	E	31.6	Very low	32.8	Very low	172 Å²	172	142.6 Å²	142.6	80%	0.804	78%	0.778	S	S	*	*				60.5	121.9	67.5	-63.7	-179.6	-163.1	0	0	110.1
903	D	28.8	Very low	32.7	Very low	129 Å²	129	144.5 Å²	144.5	69%	0.69	77%	0.773	S	S	*	*			cis	-158	-178.4	3.6	-151.5	-16.6	0	0	0	110
904	D	32	Very low	32.5	Very low	122 Å²	122	147.5 Å²	147.5	65%	0.652	78%	0.775	S	S	*	*			trans	66.7	148.7	163.5	-72.3	-25.5	0	0	0	119.7
905	K	32.4	Very low	32.2	Very low	149 Å²	149	149.2 Å²	149.2	65%	0.648	77%	0.772	S	S	*	*			cis	-170.6	172.1	-33.6	-125.8	-178.7	-156.5	69.4	0	109.4
906	D	31.8	Very low	32.3	Very low	143 Å²	143	147.8 Å²	147.8	77%	0.765	76%	0.76	S	S	*	*			trans	66	145.5	162.5	-49	-19.4	0	0	0	118.7
907	D	31.9	Very low	32.2	Very low	140 Å²	140	147.6 Å²	147.6	75%	0.749	76%	0.762	S	S	*	*			cis	-160.9	165.6	-33.8	-152.5	-9.2	0	0	0	110.3
908	E	36.6	Very low	31.8	Very low	183 Å²	183	147.8 Å²	147.8	86%	0.855	77%	0.766	S	S	*	*			trans	56.3	134.4	168.6	-56.2	-168.3	175.1	0	0	119.9
909	G	32	Very low	31.6	Very low	71 Å²	71	146 Å²	146	73%	0.732	77%	0.765	S	S	*	*			cis	175	142.9	-8	0	0	0	0	0	114.8
910	E	37.2	Very low	31.1	Very low	203 Å²	203	146.3 Å²	146.3	95%	0.949	76%	0.761	S	S	*	*			trans	41.1	145.2	153.2	-54.4	-170	134	0	0	122.6
911	D	35.2	Very low	30.9	Very low	130 Å²	130	142.3 Å²	142.3	70%	0.695	75%	0.752	S	S	*	*			cis	-159	146.6	-14.5	161.5	60.9	0	0	0	106.5	K913	D911-K913 PolarHBondContact OD1-N 3.47Å
912	G	33.8	Very low	30.6	Very low	73 Å²	73	142 Å²	142	75%	0.753	75%	0.75	S	S	*	*			cis	146.4	-91.1	-5	0	0	0	0	0	112.4
913	K	33.1	Very low	30.6	Very low	158 Å²	158	139 Å²	139	69%	0.687	74%	0.743	S	S	*	*			trans	19.3	96.3	180	-82.5	-172.5	177.2	174.1	0	120.8	D911	D911-K913 PolarHBondContact OD1-N 3.47Å
914	Q	30.6	Very low	30.6	Very low	166 Å²	166	140.4 Å²	140.4	78%	0.776	75%	0.751	S	S	*	*				65.2	146.3	115.9	-69.6	170.6	-17.6	0	0	122.1
915	Q	29.9	Very low	30.5	Very low	141 Å²	141	137.9 Å²	137.9	66%	0.659	75%	0.753	S	S	*	*			cis	177.6	134.9	-43.2	165.5	169.7	19.3	0	0	108.8
916	E	31.3	Very low	30.2	Very low	144 Å²	144	138.5 Å²	138.5	67%	0.673	76%	0.758	S	S	*	*			trans	55.8	127.2	162.2	-73.1	154.4	-142.9	0	0	119.4
917	H	28.6	Very low	30.2	Very low	186 Å²	186	139.2 Å²	139.2	86%	0.861	76%	0.757	S	S	*	*				60.6	111.6	68.7	-71.5	-69.9	0	0	0	115.3
918	S	24.8	Very low	30.1	Very low	126 Å²	126	138.6 Å²	138.6	88%	0.881	75%	0.753	S	S	*	*			trans	-160.2	178	131.6	-160.9	0	0	0	0	110
919	S	25.8	Very low	29.8	Very low	104 Å²	104	134.9 Å²	134.9	73%	0.727	74%	0.743	S	S	*	*			trans	-140.5	165.8	-162	60.4	0	0	0	0	114.6
920	H	23.6	Very low	29.5	Very low	171 Å²	171	138.8 Å²	138.8	79%	0.792	74%	0.742	S	S	*	*			trans	90.1	129.3	142.3	-149.2	58.7	0	0	0	120
921	V	27.5	Very low	29.2	Very low	100 Å²	100	137 Å²	137	61%	0.606	73%	0.734	S	S	*	*			trans	93.8	107.4	137.8	120.8	0	0	0	0	122.3
922	H	24.9	Very low	28.9	Very low	172 Å²	172	138.9 Å²	138.9	80%	0.796	74%	0.739	S	S	*	*				69.7	129	124.9	-91	25.2	0	0	0	124.9
923	V	31.6	Very low	28.7	Very low	109 Å²	109	143.6 Å²	143.6	66%	0.661	74%	0.741	S	S	*	*				122.1	132.4	111.4	142.1	0	0	0	0	121
924	N	28.2	Very low	28.4	Very low	158 Å²	158	141.9 Å²	141.9	85%	0.845	74%	0.744	S	S	*	*			trans	59.9	150.2	169	-64.9	-3.3	0	0	0	118.5
925	G	29.3	Very low	28.3	Very low	68 Å²	68	139.3 Å²	139.3	70%	0.701	74%	0.739	S	S	*	*			cis	178.3	172.5	-1.9	0	0	0	0	0	108.3
926	E	27.4	Very low	28.3	Very low	163 Å²	163	140.6 Å²	140.6	76%	0.762	75%	0.745	S	S	*	*			cis	-155.9	156.9	7.3	-81.2	172.5	89.5	0	0	109.4
927	Q	30.7	Very low	28.1	Very low	158 Å²	158	141.6 Å²	141.6	74%	0.738	75%	0.75	S	S	*	*			trans	57.8	149.8	146.6	-66.8	169.3	-9.9	0	0	120.3
928	D	29.6	Very low	28.1	Very low	126 Å²	126	140.3 Å²	140.3	67%	0.674	74%	0.744	S	S	*	*			cis	-153.6	129.3	-4.2	-109	-10.9	0	0	0	107.4
929	V	30.3	Very low	28.3	Very low	105 Å²	105	142.6 Å²	142.6	64%	0.636	74%	0.741	S	S	*	*				88.5	129.1	93.2	168.1	0	0	0	0	115.6
930	Q	26.4	Very low	28.4	Very low	154 Å²	154	144.1 Å²	144.1	72%	0.72	75%	0.745	S	S	*	*			trans	69.3	134.1	168.1	-76.5	156.2	-13.1	0	0	116.5
931	E	29.9	Very low	28.7	Very low	166 Å²	166	139.7 Å²	139.7	78%	0.776	74%	0.739	S	S	*	*				66.8	133.3	53.2	-57	170	159.6	0	0	110.9
932	E	29.6	Very low	28.7	Very low	169 Å²	169	143.1 Å²	143.1	79%	0.79	75%	0.753	S	S	*	*			cis	-154.4	172.7	10.1	-150.5	174.9	-174.3	0	0	112.3
933	E	30.6	Very low	28.9	Very low	171 Å²	171	139.3 Å²	139.3	80%	0.799	75%	0.752	S	S	*	*			trans	75.2	172.3	148.6	-108.9	-173.4	171.6	0	0	122.5
934	T	26.5	Very low	28.7	Very low	122 Å²	122	141.9 Å²	141.9	75%	0.748	76%	0.762	S	S	*	*			trans	-120.1	-171.9	-158.4	47.5	0	0	0	0	112.9
935	V	28	Very low	28.9	Very low	113 Å²	113	141.9 Å²	141.9	69%	0.685	76%	0.757	S	S	*	*			trans	110.4	114.2	161.2	-176.6	0	0	0	0	114.8
936	E	29.3	Very low	29	Very low	167 Å²	167	146.4 Å²	146.4	78%	0.78	76%	0.759	S	S	*	*				27.3	151.3	122.3	-46.9	163.8	153.6	0	0	118.2
937	E	28.3	Very low	29.4	Very low	165 Å²	165	146.5 Å²	146.5	77%	0.771	76%	0.759	S	S	*	*			cis	-164.1	170.8	28.9	-151.5	172.9	-163.3	0	0	111.6
938	E	28.5	Very low	29.5	Very low	159 Å²	159	144.6 Å²	144.6	74%	0.743	75%	0.754	S	S	*	*			trans	42.7	130.6	159.5	-84.2	-167.6	170.7	0	0	123.2
939	H	28.2	Very low	29.6	Very low	175 Å²	175	144.3 Å²	144.3	81%	0.81	75%	0.753	S	S	*	*				52.5	132.9	97.1	-81.9	52.9	0	0	0	115.3
940	V	27.6	Very low	29.6	Very low	135 Å²	135	148.2 Å²	148.2	82%	0.818	76%	0.761	S	S	*	*				-153.1	158.7	55.7	165	0	0	0	0	111.5
941	A	30	Very low	30	Very low	79 Å²	79	145.2 Å²	145.2	65%	0.653	76%	0.763	S	S	*	*			trans	-83.4	159.4	-179.5	0	0	0	0	0	115.8
942	N	27.3	Very low	30.3	Very low	171 Å²	171	145.5 Å²	145.5	91%	0.914	76%	0.764	S	S	*	*				-169.1	166.9	124.5	-102.5	-56.4	0	0	0	112.8
943	A	30.3	Very low	30.4	Very low	92 Å²	92	144.8 Å²	144.8	76%	0.76	76%	0.762	S	S	*	*			trans	-103	169.9	-172	0	0	0	0	0	114
944	D	26.8	Very low	30.4	Very low	163 Å²	163	141.9 Å²	141.9	87%	0.872	76%	0.756	S	S	*	*				-161.9	-173.6	128.2	-133.8	-34.7	0	0	0	114.9
945	H	32.7	Very low	31.1	Very low	159 Å²	159	143.3 Å²	143.3	74%	0.736	75%	0.754	S	S	*	*			trans	-104.7	132.8	-152.4	-128.8	59.6	0	0	0	118.2
946	H	32	Very low	31.4	Very low	162 Å²	162	146 Å²	146	75%	0.75	76%	0.757	S	S	*	*				60.7	167.6	126.2	-110.9	43.1	0	0	0	125.8
947	Q	34.2	Very low	31.9	Very low	165 Å²	165	144 Å²	144	77%	0.771	76%	0.756	S	S	*	*			trans	74.9	150.1	171.4	-55.4	-153.5	-102.4	0	0	117.5
948	D	33.1	Very low	32.3	Very low	118 Å²	118	144.4 Å²	144.4	63%	0.631	76%	0.755	S	S	*	*			cis	-167	166	-4.4	-120.5	46.3	0	0	0	107.7
949	N	31.3	Very low	33.6	Very low	121 Å²	121	142.6 Å²	142.6	65%	0.647	76%	0.757	S	S	*	*			cis	-170.4	171.6	-14.3	-148.6	-50.3	0	0	0	110.7
950	K	31.7	Very low	34.2	Very low	187 Å²	187	141.8 Å²	141.8	81%	0.813	75%	0.754	S	S	*	*			trans	68.4	139.7	164.1	-68.7	172.7	-179.1	169.7	0	118.6
951	A	35	Very low	35.9	Very low	91 Å²	91	140 Å²	140	75%	0.752	75%	0.745	S	S	*	*			cis	110.4	153.7	29.4	0	0	0	0	0	111.4
952	Q	35.6	Very low	36.1	Very low	171 Å²	171	142.4 Å²	142.4	80%	0.799	75%	0.751	S	S	*	*			cis	-168.6	161.3	19.3	-156	-176.8	-1	0	0	114
953	M	31.6	Very low	36.6	Very low	154 Å²	154	138.7 Å²	138.7	76%	0.759	74%	0.739	S	S	*	*			trans	100.1	138.2	132.9	-126.7	171.1	68.1	0	0	126.3
954	V	30.3	Very low	36.6	Very low	111 Å²	111	140.8 Å²	140.8	67%	0.673	74%	0.742	S	S	*	*			trans	88	97.9	153.4	-161.1	0	0	0	0	124.7
955	Q	40.7	Very low	36.8	Very low	151 Å²	151	137.8 Å²	137.8	71%	0.706	73%	0.734	S	S	*	*				28.6	168.4	115.5	-64.2	178.9	-0.8	0	0	123.4
956	K	34.7	Very low	36.6	Very low	170 Å²	170	138.9 Å²	138.9	74%	0.739	74%	0.74	S	S	*	*			cis	-172.6	133.3	24.3	-136.4	155.5	-177.5	150.6	0	117.2
957	V	39.8	Very low	36.4	Very low	125 Å²	125	137 Å²	137	76%	0.758	74%	0.739	S	S	*	*				79	137.1	124.3	156.5	0	0	0	0	129.2
958	K	36.3	Very low	35.9	Very low	173 Å²	173	133.9 Å²	133.9	75%	0.752	74%	0.736	S	S	*	*			trans	74.2	169.6	151.2	-97.8	-156.8	169.7	-163	0	122.4
959	P	55.6	Low	35.9	Very low	122 Å²	122	133 Å²	133	79%	0.792	74%	0.739	S	S	*	*			cis	-132.3	-169.2	11.4	37.5	-14.7	0	0	0	119.7
960	E	41.5	Very low	35.9	Very low	158 Å²	158	135.4 Å²	135.4	74%	0.738	75%	0.747	S	S	*	*			trans	-164.4	178.6	-163.2	-135.6	-157.7	-42.3	0	0	109
961	P	64.6	Low	35.9	Very low	97 Å²	97	132.1 Å²	132.1	63%	0.63	74%	0.742	S	S	*	*			cis	-141	-144.8	-1.3	40.2	-15.3	0	0	0	115.5
962	V	32.8	Very low	35.7	Very low	130 Å²	130	136.1 Å²	136.1	79%	0.788	75%	0.745	S	S	*	*			trans	93.4	148.1	163.3	-178.3	0	0	0	0	118.8
963	S	39.1	Very low	35.4	Very low	92 Å²	92	135.5 Å²	135.5	64%	0.643	75%	0.747	S	S	*	*			cis	-176.9	172.9	-33.5	-77.4	0	0	0	0	113
964	T	28.8	Very low	35.4	Very low	136 Å²	136	133.1 Å²	133.1	83%	0.834	75%	0.746	S	S	*	*			trans	71.4	147.3	164.6	63.1	0	0	0	0	120.4
965	S	30.8	Very low	35.4	Very low	101 Å²	101	136.1 Å²	136.1	71%	0.706	75%	0.752	S	S	*	*			cis	-172.6	160.8	-33.8	48.7	0	0	0	0	112.8
966	E	29	Very low	34.8	Very low	182 Å²	182	135.2 Å²	135.2	85%	0.85	76%	0.758	S	S	*	*			trans	78.9	157.8	169.2	-52	-170.6	146.2	0	0	120.1
967	T	27.8	Very low	36.1	Very low	121 Å²	121	132.7 Å²	132.7	74%	0.742	76%	0.759	S	S	*	*			cis	-170.5	157.5	-37.8	-78.2	0	0	0	0	111
968	S	24.1	Very low	35.5	Very low	101 Å²	101	134 Å²	134	71%	0.706	76%	0.761	S	S	*	*			trans	77.5	137.6	169.9	-74.7	0	0	0	0	119.5
969	S	32.5	Very low	35.1	Very low	100 Å²	100	130.6 Å²	130.6	70%	0.699	76%	0.755	S	S	*	*			cis	95.7	150.2	23.2	81.7	0	0	0	0	114.9
970	Q	32.5	Very low	34	Very low	171 Å²	171	131.9 Å²	131.9	80%	0.799	75%	0.754	S	S	*	*			cis	-167.9	-172.6	24.4	-159.6	-179.9	-4.5	0	0	112.1
971	V	31.5	Very low	33.6	Very low	117 Å²	117	130 Å²	130	71%	0.709	75%	0.749	S	S	*	*			trans	84	127.1	155.5	163.8	0	0	0	0	117.4
972	E	30	Very low	31.9	Very low	176 Å²	176	131.5 Å²	131.5	82%	0.822	75%	0.752	S	S	*	*			cis	-148.7	174.7	-7.6	-75	-112.5	108.9	0	0	110.7
973	D	30.5	Very low	31.7	Very low	157 Å²	157	132.5 Å²	132.5	84%	0.84	75%	0.747	S	S	*	*			trans	-108.6	177.2	-179.9	-88.9	-61.5	0	0	0	114.6
974	S	30.3	Very low	31.2	Very low	105 Å²	105	135.3 Å²	135.3	73%	0.734	75%	0.754	S	S	*	*			trans	108.7	109.4	141.1	73.9	0	0	0	0	123.2
975	E	31.4	Very low	31.2	Very low	173 Å²	173	133.3 Å²	133.3	81%	0.808	75%	0.752	S	S	*	*				69.7	110.1	122	-62.3	-165.5	140.9	0	0	125.7
976	T	28.2	Very low	31.3	Very low	133 Å²	133	134 Å²	134	82%	0.816	76%	0.756	S	S	*	*			trans	87.7	153.2	130.6	61	0	0	0	0	122.9
977	P	60.2	Low	31.7	Very low	117 Å²	117	130.9 Å²	130.9	76%	0.76	75%	0.754	S	S	*	*			trans	-129.9	156.4	-159.2	41.3	-24	0	0	0	117.9
978	D	27.2	Very low	31.7	Very low	152 Å²	152	129.6 Å²	129.6	81%	0.813	76%	0.756	S	S	*	*			trans	-171.4	150	166.8	-117.3	-30.7	0	0	0	109.4
979	T	28.4	Very low	32.2	Very low	101 Å²	101	133.6 Å²	133.6	62%	0.62	76%	0.764	S	S	*	*			cis	-157.8	156.8	-12.9	-25.5	0	0	0	0	109.2
980	L	33.5	Very low	32.7	Very low	149 Å²	149	135 Å²	135	78%	0.78	77%	0.77	S	S	*	*			trans	66.4	150.3	167	-49.7	176.5	0	0	0	115.7
981	D	31.5	Very low	32.6	Very low	119 Å²	119	131.2 Å²	131.2	64%	0.636	77%	0.769	S	S	*	*			cis	-164.1	174.5	-8.6	-124.7	-25.6	0	0	0	107.7
982	L	29.6	Very low	32.6	Very low	129 Å²	129	131.7 Å²	131.7	68%	0.675	78%	0.777	S	S	*	*			cis	-141.8	143.7	1.2	-103.5	179	0	0	0	106
983	H	29.7	Very low	32.6	Very low	151 Å²	151	131.2 Å²	131.2	70%	0.699	78%	0.775	S	S	*	*				51.6	134.7	97.2	-69	31.5	0	0	0	117.1
984	L	28.3	Very low	32.5	Very low	151 Å²	151	131.5 Å²	131.5	79%	0.791	77%	0.771	S	S	*	*			cis	-162.1	178.8	-1.3	-150.4	82.1	0	0	0	108.9
985	A	29.1	Very low	32.3	Very low	94 Å²	94	133.3 Å²	133.3	78%	0.777	77%	0.768	S	S	*	*				-138.8	-178.3	-85.3	0	0	0	0	0	109.8
986	S	31.7	Very low	31.9	Very low	114 Å²	114	133 Å²	133	80%	0.797	77%	0.767	S	S	*	*			trans	-102	151.8	-171.8	-172.7	0	0	0	0	113.9
987	S	37.2	Very low	32.9	Very low	117 Å²	117	131.9 Å²	131.9	82%	0.818	76%	0.761	S	S	*	*			trans	28.8	139.7	147.1	-156.9	0	0	0	0	121.9
988	A	28.2	Very low	31.2	Very low	94 Å²	94	134.8 Å²	134.8	78%	0.777	77%	0.765	S	S	*	*			trans	-146.3	150.8	162.2	0	0	0	0	0	112.1
989	E	34.6	Very low	32.6	Very low	185 Å²	185	132.4 Å²	132.4	86%	0.864	76%	0.757	S	S	*	*			trans	-71.7	177.4	164.7	-53.5	175.4	123.6	0	0	110.5
990	P	43.9	Very low	32.7	Very low	129 Å²	129	131.6 Å²	131.6	84%	0.838	76%	0.761	S	S	*	*				-154.1	178.5	90.9	40.8	-23	0	0	0	115.9
991	A	30.1	Very low	32.7	Very low	93 Å²	93	130.6 Å²	130.6	77%	0.769	76%	0.761	S	S	*	*			trans	-145.4	132.2	159.2	0	0	0	0	0	111.2
992	S	31.6	Very low	32.6	Very low	127 Å²	127	132 Å²	132	89%	0.888	76%	0.764	S	S	*	*			trans	168.9	168.6	149.1	-96.3	0	0	0	0	113.1
993	Q	29.6	Very low	32.8	Very low	165 Å²	165	133 Å²	133	77%	0.771	77%	0.765	S	S	*	*			trans	-104.4	152.6	-166.7	-54.2	144.8	-59.9	0	0	113.8
994	H	27.7	Very low	32.9	Very low	163 Å²	163	132.7 Å²	132.7	76%	0.755	76%	0.763	S	S	*	*				177.6	-168.6	112.3	-106.2	-75.4	0	0	0	113.7
995	Q	26.6	Very low	32.9	Very low	143 Å²	143	131.9 Å²	131.9	67%	0.668	76%	0.756	S	S	*	*			trans	-107.8	162.1	-153.7	-66.9	151.3	-92.5	0	0	116.7
996	E	22.3	Very low	32.8	Very low	168 Å²	168	134.3 Å²	134.3	79%	0.785	75%	0.751	S	S	*	*			trans	63.6	160.2	145.2	-82.4	-171.7	123.2	0	0	121.3
997	P	50.7	Low	32.7	Very low	109 Å²	109	137.1 Å²	137.1	71%	0.708	75%	0.752	S	S	*	*			cis	-133.4	178.4	-28.7	35.6	-17.3	0	0	0	114.7
998	E	24.7	Very low	33.3	Very low	177 Å²	177	136.9 Å²	136.9	83%	0.827	75%	0.747	S	S	*	*			trans	10.8	159.9	150.7	-73.4	-128.8	135.7	0	0	123.9
999	P	55.5	Low	33.1	Very low	102 Å²	102	137.4 Å²	137.4	66%	0.662	75%	0.752	S	S	*	*			cis	-145.3	-168.7	-30.8	40.2	-20.7	0	0	0	115.3
1000	A	30.2	Very low	33	Very low	85 Å²	85	133.5 Å²	133.5	70%	0.702	75%	0.751	S	S	*	*			trans	106.8	107.7	144	0	0	0	0	0	122.2
1001	V	33.3	Very low	32.4	Very low	127 Å²	127	131.9 Å²	131.9	77%	0.77	74%	0.742	S	S	*	*				53.4	124.5	122	-179.2	0	0	0	0	117.7
1002	Q	30	Very low	32.4	Very low	149 Å²	149	135.5 Å²	135.5	70%	0.696	74%	0.744	S	S	*	*				-171.8	133.6	70.1	-157.5	150.1	63.7	0	0	114.9
1003	Q	33.4	Very low	32.2	Very low	149 Å²	149	134.8 Å²	134.8	70%	0.696	74%	0.738	S	S	*	*			trans	55.2	155.4	149.9	-65.1	175	-12.7	0	0	119.3
1004	H	32.3	Very low	31.8	Very low	145 Å²	145	132.3 Å²	132.3	67%	0.671	74%	0.738	S	S	*	*			cis	-175.6	165.4	-15.2	-98.5	-16.9	0	0	0	105.3
1005	Q	29.2	Very low	31.7	Very low	135 Å²	135	130.1 Å²	130.1	63%	0.631	74%	0.736	S	S	*	*			cis	-160.1	163.1	-4.2	-98.3	155.9	-87.8	0	0	103.8
1006	E	25.9	Very low	31.8	Very low	144 Å²	144	132.7 Å²	132.7	67%	0.673	75%	0.745	S	S	*	*			cis	-153.3	146.5	1.2	-109.1	143.3	-170.6	0	0	106.2
1007	Q	29.4	Very low	31.9	Very low	174 Å²	174	133.6 Å²	133.6	81%	0.813	75%	0.749	S	S	*	*				79.6	149.7	72.8	-121.6	-155.4	31.8	0	0	114.7
1008	P	51	Low	30.8	Very low	111 Å²	111	133 Å²	133	72%	0.721	75%	0.748	S	S	*	*				-134.6	179.6	-75.2	42.3	-30.4	0	0	0	115
1009	A	24.1	Very low	30.9	Very low	106 Å²	106	132.7 Å²	132.7	88%	0.876	75%	0.747	S	S	*	*			trans	-151	119.8	157.3	0	0	0	0	0	113.8
1010	A	31.4	Very low	29.5	Very low	103 Å²	103	133 Å²	133	85%	0.851	75%	0.747	S	S	*	*			trans	-163.2	160.6	162.3	0	0	0	0	0	105.9
1011	S	31.4	Very low	29.3	Very low	94 Å²	94	135 Å²	135	66%	0.657	75%	0.745	S	S	*	*			cis	-156.9	-179.3	12.3	47.7	0	0	0	0	111.1
1012	E	30	Very low	29.1	Very low	170 Å²	170	137 Å²	137	79%	0.794	75%	0.746	S	S	*	*			trans	71	113.7	147.3	-78	166.5	-179.4	0	0	123.8
1013	S	26.6	Very low	28.9	Very low	111 Å²	111	134.8 Å²	134.8	78%	0.776	75%	0.746	S	S	*	*				94.6	129.8	123.9	81.4	0	0	0	0	123
1014	C	23	Very low	28.7	Very low	114 Å²	114	134.1 Å²	134.1	77%	0.77	75%	0.752	S	S	*	*			trans	76.9	148.2	138.9	-139.8	0	0	0	0	123.4
1015	T	25.2	Very low	28.5	Very low	116 Å²	116	130.7 Å²	130.7	71%	0.712	76%	0.756	S	S	*	*			trans	83.2	128.3	158.5	67.5	0	0	0	0	123.2
1016	K	27.3	Very low	28.6	Very low	198 Å²	198	128.3 Å²	128.3	86%	0.861	76%	0.759	S	S	*	*			trans	82.9	167.8	134.8	-79.7	179.2	177.6	-174.8	0	121.8
1017	E	26.1	Very low	29	Very low	186 Å²	186	128.7 Å²	128.7	87%	0.869	77%	0.766	S	S	*	*			trans	-100.3	-174.1	-158.6	-53.2	163.2	109.1	0	0	112.9
1018	S	26.6	Very low	28.9	Very low	98 Å²	98	127 Å²	127	69%	0.685	77%	0.768	S	S	*	*			trans	102.4	104.3	154.7	-138.8	0	0	0	0	118.7
1019	E	26.8	Very low	28.2	Very low	170 Å²	170	129 Å²	129	79%	0.794	77%	0.765	S	S	*	*				65.2	127.8	126.1	-70.1	-163	113.3	0	0	124.3
1020	V	26.5	Very low	29.6	Very low	109 Å²	109	129.3 Å²	129.3	66%	0.661	76%	0.758	S	S	*	*				92	107.3	126.2	167.2	0	0	0	0	121.5
1021	N	25.5	Very low	29.6	Very low	125 Å²	125	129.4 Å²	129.4	67%	0.668	74%	0.744	S	S	*	*			trans	70.8	125.5	137.6	-72.6	-10.9	0	0	0	125.1
1022	Q	29.6	Very low	29.7	Very low	169 Å²	169	132.7 Å²	132.7	79%	0.79	75%	0.749	S	S	*	*			trans	70.3	153.9	132.3	-65.6	176.9	-6.7	0	0	117.8
1023	C	25.7	Very low	29.7	Very low	104 Å²	104	129 Å²	129	70%	0.703	74%	0.742	S	S	*	*			cis	-163.5	-178.5	2.9	-132.1	0	0	0	0	109.1
1024	V	28.6	Very low	30.8	Very low	135 Å²	135	129.5 Å²	129.5	82%	0.818	74%	0.743	S	S	*	*			cis	-150	155.8	2.5	-152.7	0	0	0	0	109.1
1025	G	27.8	Very low	30.9	Very low	72 Å²	72	131.8 Å²	131.8	74%	0.742	75%	0.746	S	S	*	*			trans	95.6	154.6	136.9	0	0	0	0	0	120
1026	A	32.7	Very low	32.2	Very low	85 Å²	85	131 Å²	131	70%	0.702	74%	0.744	S	S	*	*			cis	-162.3	156.9	-7	0	0	0	0	0	113.8
1027	D	32.9	Very low	32.3	Very low	153 Å²	153	129.3 Å²	129.3	82%	0.818	74%	0.739	S	S	*	*			trans	61.4	155.7	159	-56.9	-46	0	0	0	120
1028	T	29.1	Very low	32.5	Very low	139 Å²	139	128.2 Å²	128.2	85%	0.853	73%	0.734	S	S	*	*			cis	-143.5	169	15.9	-33	0	0	0	0	112.4
1029	K	35.1	Very low	32.6	Very low	151 Å²	151	130.8 Å²	130.8	66%	0.657	74%	0.735	S	S	*	*			trans	-140.7	154.7	-176.5	-152.5	176.3	173	-122.5	0	113.1	D1031	K1029-D1031 WeakPolarHBondContact CD-OD2 3.42Å; K1029-D1031 VanDerWaalsContact CE-OD2 3.31Å; K1029-D1031 WeakPolarHBondContact CE-OD2 3.38Å; K1029-D1031 IonicContact NZ-OD1 3.69Å; K1029-D1031 PolarHBondContact NZ-OD1 3.5Å; K1029-D1031 IonicContact NZ-OD2 3.9Å; K1029-D1031 PolarHBondContact NZ-OD2 3.35Å
1030	P	54.6	Low	32.9	Very low	114 Å²	114	130.3 Å²	130.3	74%	0.74	73%	0.732	S	S	*	*				-139.3	179.8	101.4	39.2	-23.8	0	0	0	112.3
1031	D	30.6	Very low	33.1	Very low	104 Å²	104	132.6 Å²	132.6	56%	0.556	74%	0.736	S	S	*	*			cis	88	143.2	12.8	-54.1	-52.1	0	0	0	116.4	K1029	K1029-D1031 WeakPolarHBondContact CD-OD2 3.42Å; K1029-D1031 VanDerWaalsContact CE-OD2 3.31Å; K1029-D1031 WeakPolarHBondContact CE-OD2 3.38Å; K1029-D1031 IonicContact NZ-OD1 3.69Å; K1029-D1031 PolarHBondContact NZ-OD1 3.5Å; K1029-D1031 IonicContact NZ-OD2 3.9Å; K1029-D1031 PolarHBondContact NZ-OD2 3.35Å
1032	E	32.8	Very low	33.3	Very low	164 Å²	164	130.2 Å²	130.2	77%	0.766	73%	0.733	S	S	*	*			cis	-159.1	157.7	4.2	-145.5	-159.8	84.2	0	0	113.8
1033	S	30.7	Very low	33.3	Very low	91 Å²	91	126.3 Å²	126.3	64%	0.636	73%	0.73	S	S	*	*			trans	61.3	164.9	148.1	-80.3	0	0	0	0	123.2
1034	P	49.5	Very low	33.5	Very low	123 Å²	123	132.6 Å²	132.6	80%	0.799	74%	0.739	S	S	*	*			cis	-134.4	-167.1	-17.3	35	-12.5	0	0	0	116.5
1035	L	24.8	Very low	33.5	Very low	161 Å²	161	130.3 Å²	130.3	84%	0.843	73%	0.729	S	S	*	*			trans	-81.6	-170.3	176.7	-66.1	170.1	0	0	0	113.6
1036	P	53	Low	33.5	Very low	101 Å²	101	131.8 Å²	131.8	66%	0.656	73%	0.728	S	S	*	*			cis	-112.9	-141.6	2.6	20.8	6.3	0	0	0	114.6
1037	E	28.4	Very low	33.3	Very low	161 Å²	161	136 Å²	136	75%	0.752	73%	0.733	S	S	*	*			cis	-151.1	139.8	22.4	-76.5	154.9	-158.7	0	0	109.4
1038	E	30.3	Very low	33.2	Very low	164 Å²	164	134.5 Å²	134.5	77%	0.766	73%	0.729	S	S	*	*				68.9	139.4	87.6	-63.1	177.9	-171.7	0	0	116.2
1039	E	30.3	Very low	33.1	Very low	151 Å²	151	136.4 Å²	136.4	71%	0.706	73%	0.728	S	S	*	*			cis	-157.7	159.4	-2.9	-124	177.9	-168.8	0	0	113.8
1040	E	32.3	Very low	32.8	Very low	160 Å²	160	136.5 Å²	136.5	75%	0.748	74%	0.736	S	S	*	*			trans	14.9	170.9	135.3	-70.1	-168.4	172	0	0	123.9
1041	E	30.8	Very low	31.7	Very low	158 Å²	158	140.4 Å²	140.4	74%	0.738	75%	0.745	S	S	*	*			cis	-158.6	137.6	-14.7	-106	-107	117.5	0	0	105.4
1042	A	28.8	Very low	31.6	Very low	74 Å²	74	141.3 Å²	141.3	61%	0.612	75%	0.75	S	S	*	*				86.1	-172.1	74.8	0	0	0	0	0	116.3
1043	A	29.7	Very low	31.5	Very low	88 Å²	88	140.7 Å²	140.7	73%	0.727	75%	0.746	S	S	*	*			trans	66	126.7	-169.5	0	0	0	0	0	116.1
1044	R	30.3	Very low	31.5	Very low	236 Å²	236	143.1 Å²	143.1	89%	0.891	76%	0.757	S	S	*	*				72.2	139.7	57.1	-75.7	-170	163.8	-154.6	-3.5	113.4
1045	S	28.1	Very low	30.5	Very low	86 Å²	86	141 Å²	141	60%	0.601	76%	0.757	S	S	*	*			cis	-166.2	177.8	1.5	-105.3	0	0	0	0	109.7
1046	S	28.2	Very low	30.6	Very low	103 Å²	103	141.3 Å²	141.3	72%	0.72	76%	0.755	S	S	*	*			trans	65.9	151.4	146.1	43.4	0	0	0	0	120.3
1047	E	29.3	Very low	29.5	Very low	175 Å²	175	142.2 Å²	142.2	82%	0.818	76%	0.759	S	S	*	*			cis	-172.4	166.7	-25.5	-147.6	168.3	161	0	0	109.8
1048	V	29.5	Very low	30.3	Very low	121 Å²	121	140 Å²	140	73%	0.733	76%	0.758	S	S	*	*			trans	63.3	151.2	161	-117.4	0	0	0	0	123.9
1049	E	28.3	Very low	30.1	Very low	178 Å²	178	136.8 Å²	136.8	83%	0.832	76%	0.76	S	S	*	*			trans	100.8	134.7	148.3	-82.2	171.6	-153.3	0	0	121.4
1050	D	29.3	Very low	30.2	Very low	154 Å²	154	134 Å²	134	82%	0.824	76%	0.763	S	S	*	*			trans	-93.8	167.6	-169.1	-54.5	-105.2	0	0	0	113.1
1051	E	30.2	Very low	31	Very low	196 Å²	196	131.9 Å²	131.9	92%	0.916	76%	0.763	S	S	*	*				179.1	-179.2	125.4	-92.6	-95.3	107.2	0	0	110.1
1052	D	28.9	Very low	32	Very low	123 Å²	123	129.5 Å²	129.5	66%	0.658	76%	0.761	S	S	*	*			trans	-129.2	173	-145.8	-166.6	16	0	0	0	114.9
1053	Q	31.5	Very low	32.1	Very low	150 Å²	150	135.9 Å²	135.9	70%	0.701	78%	0.775	S	S	*	*			trans	69.9	114.7	156	-81.7	162.8	73.5	0	0	122.8
1054	V	30.8	Very low	32.3	Very low	142 Å²	142	134.9 Å²	134.9	86%	0.861	77%	0.773	S	S	*	*				48.3	124.2	118.7	-176.5	0	0	0	0	120.4
1055	G	26.9	Very low	32.3	Very low	78 Å²	78	134.6 Å²	134.6	80%	0.804	78%	0.778	S	S	*	*			trans	-166	128.6	159.1	0	0	0	0	0	113.8
1056	E	27.1	Very low	32.5	Very low	169 Å²	169	133.8 Å²	133.8	79%	0.79	78%	0.784	S	S	*	*			trans	-117	132.4	-171.2	-107	-166.4	114.8	0	0	114.3
1057	T	29.8	Very low	33.4	Very low	120 Å²	120	134.6 Å²	134.6	74%	0.736	79%	0.787	S	S	*	*			trans	66	178.7	151.6	74.4	0	0	0	0	117.2
1058	P	45	Very low	34.3	Very low	113 Å²	113	132 Å²	132	73%	0.734	79%	0.785	S	S	*	*			cis	-138.2	178.6	-1.1	43	-25.5	0	0	0	118.4
1059	A	27.5	Very low	34.6	Very low	98 Å²	98	133.3 Å²	133.3	81%	0.81	79%	0.793	S	S	*	*			trans	83.7	147.7	143.5	0	0	0	0	0	122
1060	A	32	Very low	34.8	Very low	92 Å²	92	132.6 Å²	132.6	76%	0.76	80%	0.795	S	S	*	*			cis	-165.6	-160.4	-21.8	0	0	0	0	0	112.7
1061	P	49	Very low	35.7	Very low	116 Å²	116	130.6 Å²	130.6	75%	0.753	79%	0.79	S	S	*	*			trans	-122.7	-167.2	-131.7	36.9	-11.8	0	0	0	114.2
1062	P	50.7	Low	36.5	Very low	107 Å²	107	127 Å²	127	70%	0.695	78%	0.784	S	S	*	*				-159.8	177.2	96.7	43	-24	0	0	0	117.9
1063	K	31.5	Very low	37.2	Very low	209 Å²	209	127 Å²	127	91%	0.909	79%	0.791	S	S	*	*			trans	72.1	127.2	163.5	-54.9	174.6	-176.5	176.2	0	118.3
1064	G	33.4	Very low	38	Very low	66 Å²	66	125.6 Å²	125.6	68%	0.68	80%	0.795	S	S	*	*			cis	168.6	156.6	-13	0	0	0	0	0	115.8
1065	F	31	Very low	39	Very low	231 Å²	231	124.9 Å²	124.9	100%	1.013	79%	0.793	S	S	*	*			trans	80.4	158.1	170.3	-65.2	-84.5	0	0	0	121.1
1066	G	32.7	Very low	39.4	Very low	69 Å²	69	127.8 Å²	127.8	71%	0.711	80%	0.795	S	S	*	*			trans	-172.3	-159.9	-176.5	0	0	0	0	0	109.3
1067	P	46.7	Very low	39.7	Very low	120 Å²	120	126.5 Å²	126.5	78%	0.779	80%	0.799	S	S	*	*			cis	-130.1	-166.6	-4.8	44.7	-25.6	0	0	0	114
1068	P	49.4	Very low	39.7	Very low	121 Å²	121	127.9 Å²	127.9	79%	0.786	80%	0.797	S	S	*	*			trans	-117.1	173	-164.4	42.6	-34.6	0	0	0	119.2
1069	T	34.4	Very low	39	Very low	148 Å²	148	129.2 Å²	129.2	91%	0.908	79%	0.793	S	S	*	*			trans	-146.3	163.6	172.1	51.8	0	0	0	0	115.2
1070	N	34	Very low	39	Very low	162 Å²	162	130.7 Å²	130.7	87%	0.866	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-93.1	169	-169.8	-96	-22.2	0	0	0	117.1
1071	P	48.2	Very low	38.8	Very low	112 Å²	112	131.6 Å²	131.6	73%	0.727	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-99	166.8	-172.7	39	-37.4	0	0	0	117.3
1072	P	46.6	Very low	37.9	Very low	122 Å²	122	131.3 Å²	131.3	79%	0.792	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-103.5	173.3	177.3	40.4	-35.2	0	0	0	115.6
1073	P	43.9	Very low	36.9	Very low	121 Å²	121	130.3 Å²	130.3	79%	0.786	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-96.7	171.1	-171.3	38.4	-37.2	0	0	0	116.4
1074	P	47.3	Very low	36.9	Very low	122 Å²	122	127.7 Å²	127.7	79%	0.792	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-89.4	164.8	-175.6	36.1	-37.4	0	0	0	115.9
1075	P	51.7	Low	36.7	Very low	127 Å²	127	129.5 Å²	129.5	83%	0.825	78%	0.78	S	S	*	*			trans	-104.9	173.5	-177.7	40.8	-35.9	0	0	0	115.7
1076	T	36	Very low	36.6	Very low	138 Å²	138	128.5 Å²	128.5	85%	0.847	77%	0.769	S	S	*	*			trans	-133.8	130.5	177.4	-43.5	0	0	0	0	111.3
1077	V	32.8	Very low	36.5	Very low	143 Å²	143	129.4 Å²	129.4	87%	0.867	77%	0.765	S	S	*	*			trans	-148.9	159.1	162.7	174.6	0	0	0	0	109.3
1078	E	29.9	Very low	35.7	Very low	148 Å²	148	130.9 Å²	130.9	69%	0.692	77%	0.765	S	S	*	*			trans	-106.5	176.3	-167.7	-37.3	165	63.6	0	0	115.4
1079	Q	29.6	Very low	34.8	Very low	142 Å²	142	132.5 Å²	132.5	66%	0.664	77%	0.766	S	S	*	*			trans	69	146.2	148.5	-73.9	174.3	55.7	0	0	117.8
1080	N	28.1	Very low	34.6	Very low	129 Å²	129	130.3 Å²	130.3	69%	0.69	76%	0.762	S	S	*	*			cis	-164.4	177.5	15.5	-125.7	-27.2	0	0	0	113.3
1081	S	28.2	Very low	34.3	Very low	110 Å²	110	126.3 Å²	126.3	77%	0.769	76%	0.76	S	S	*	*			trans	74.5	146.1	161.7	74.4	0	0	0	0	119.5
1082	S	29.4	Very low	33.4	Very low	111 Å²	111	126.3 Å²	126.3	78%	0.776	76%	0.762	S	S	*	*			cis	-171.2	172.1	-18.5	49	0	0	0	0	112.1
1083	A	31.1	Very low	32.6	Very low	85 Å²	85	128.7 Å²	128.7	70%	0.702	76%	0.76	S	S	*	*			trans	86.1	137.1	166.9	0	0	0	0	0	117.5
1084	D	31.2	Very low	32	Very low	155 Å²	155	128.8 Å²	128.8	83%	0.829	75%	0.75	S	S	*	*			cis	-158.8	168.6	-10.2	-125	-33.8	0	0	0	117.4
1085	D	28.9	Very low	31.2	Very low	103 Å²	103	129.8 Å²	129.8	55%	0.551	74%	0.744	S	S	*	*			trans	66	112.2	156.2	-125.9	32.8	0	0	0	124
1086	R	29.1	Very low	30.1	Very low	210 Å²	210	131.2 Å²	131.2	79%	0.792	75%	0.745	S	S	*	*				58	153	128	-77.5	-175.4	-171.2	126.9	-5.5	123.3
1087	S	29	Very low	29.8	Very low	88 Å²	88	127.9 Å²	127.9	62%	0.615	74%	0.738	S	S	*	*			cis	-169	175.4	-7.9	49	0	0	0	0	113.2
1088	L	30.5	Very low	29.7	Very low	151 Å²	151	130.8 Å²	130.8	79%	0.791	74%	0.742	S	S	*	*			trans	73.1	155.6	166.5	-48.9	-178	0	0	0	117
1089	I	30.1	Very low	29.8	Very low	155 Å²	155	132.6 Å²	132.6	80%	0.795	75%	0.751	S	S	*	*				-176.9	143.5	-54.2	-99.4	169.2	0	0	0	105.9
1090	A	30.6	Very low	30	Very low	102 Å²	102	130.8 Å²	130.8	84%	0.843	75%	0.754	S	S	*	*			trans	-44.2	163.1	-174.1	0	0	0	0	0	119.5
1091	G	27.8	Very low	30	Very low	79 Å²	79	133.6 Å²	133.6	81%	0.814	76%	0.76	S	S	*	*			trans	172	80.6	163.4	0	0	0	0	0	119.9
1092	S	29.9	Very low	30.1	Very low	111 Å²	111	137 Å²	137	78%	0.776	76%	0.761	S	S	*	*			trans	-31	137.7	163.2	-56	0	0	0	0	121.5
1093	K	29.5	Very low	30.2	Very low	172 Å²	172	140.1 Å²	140.1	75%	0.748	76%	0.764	S	S	*	*			trans	72	147.3	130.4	-67.1	178.1	107.5	-148	0	123.6
1094	Q	30.3	Very low	30	Very low	123 Å²	123	142.5 Å²	142.5	58%	0.575	77%	0.77	S	S	*	*			trans	76.3	146.2	142	-84.8	172.6	-90.9	0	0	118.9
1095	E	31.9	Very low	29.9	Very low	143 Å²	143	141 Å²	141	67%	0.668	77%	0.767	S	S	*	*			cis	-161	178.6	-5.8	-153.2	144.7	-131.5	0	0	112.4
1096	N	28.7	Very low	31.5	Very low	158 Å²	158	141.6 Å²	141.6	85%	0.845	78%	0.776	S	S	*	*			trans	70.1	134.4	171.1	-60.5	-26.3	0	0	0	118.2
1097	G	28.4	Very low	32.4	Very low	68 Å²	68	137.6 Å²	137.6	70%	0.701	78%	0.777	S	S	*	*			cis	152.7	138.4	-14.4	0	0	0	0	0	114.5
1098	E	30.4	Very low	32.4	Very low	204 Å²	204	138.2 Å²	138.2	95%	0.953	79%	0.787	S	S	*	*			trans	-175.1	146.1	149.1	-107.9	173	-166.1	0	0	109
1099	E	32.4	Very low	32.4	Very low	185 Å²	185	140.5 Å²	140.5	86%	0.864	79%	0.791	S	S	*	*			trans	-123.6	138.5	-167.1	-74.8	-163.1	108.5	0	0	115.8
1100	S	35.3	Very low	33.9	Very low	104 Å²	104	138.5 Å²	138.5	73%	0.727	79%	0.788	S	S	*	*			trans	44.3	118.3	135.6	-56.9	0	0	0	0	121.5
1101	F	27.3	Very low	35	Very low	189 Å²	189	140 Å²	140	83%	0.829	79%	0.789	S	S	*	*			trans	-147.3	110.5	152.3	-139.9	-98.1	0	0	0	115.9
1102	F	30.6	Very low	35.2	Very low	181 Å²	181	140.8 Å²	140.8	79%	0.794	79%	0.788	S	S	*	*			trans	55	151.7	152.2	-85	-91.4	0	0	0	124.8
1103	Q	30.9	Very low	35.4	Very low	177 Å²	177	141 Å²	141	83%	0.827	79%	0.79	S	S	*	*			trans	-106.3	149.7	173.7	-53.5	169.3	-62.9	0	0	111.6
1104	T	27.1	Very low	35.5	Very low	134 Å²	134	137.2 Å²	137.2	82%	0.822	79%	0.79	S	S	*	*			trans	-160.4	123.2	146.4	11.8	0	0	0	0	114
1105	T	29.9	Very low	35.5	Very low	125 Å²	125	137.1 Å²	137.1	77%	0.767	79%	0.794	S	S	*	*			trans	26.8	145.1	145.8	49.4	0	0	0	0	124.8
1106	P	61.5	Low	35.7	Very low	115 Å²	115	137.4 Å²	137.4	75%	0.747	80%	0.795	S	S	*	*			trans	-86	174.6	172.5	43.4	-41.1	0	0	0	112.3
1107	P	47.6	Very low	35.9	Very low	126 Å²	126	136.9 Å²	136.9	82%	0.818	79%	0.787	S	S	*	*				-161	-160.9	74.3	43.7	-20.1	0	0	0	117.4
1108	A	29.4	Very low	36.3	Very low	100 Å²	100	141.1 Å²	141.1	83%	0.826	79%	0.789	S	S	*	*			trans	103.6	163	149.2	0	0	0	0	0	121.4
1109	K	31.6	Very low	36.6	Very low	200 Å²	200	138.8 Å²	138.8	87%	0.87	78%	0.778	S	S	*	*			trans	-126.6	172.3	-178.5	-120.9	-164.6	175	-177.1	0	109.1
1110	P	60.9	Low	37	Very low	112 Å²	112	137.8 Å²	137.8	73%	0.727	77%	0.773	S	S	*	*			trans	-79.4	169.1	-162.7	36.4	-40.4	0	0	0	114.5
1111	P	54.5	Low	37	Very low	133 Å²	133	140 Å²	140	86%	0.864	78%	0.777	S	S	*	*				-138.3	-165.1	98.5	40.8	-28.5	0	0	0	113.6
1112	A	31.4	Very low	37.4	Very low	96 Å²	96	137.2 Å²	137.2	79%	0.793	77%	0.771	S	S	*	*			trans	-121.9	158.7	-176.2	0	0	0	0	0	112.6
1113	S	33.9	Very low	37.4	Very low	117 Å²	117	136.2 Å²	136.2	82%	0.818	77%	0.77	S	S	*	*			trans	-178.2	131.6	149.7	55.9	0	0	0	0	112.8
1114	A	30.6	Very low	37.5	Very low	91 Å²	91	133.1 Å²	133.1	75%	0.752	77%	0.769	S	S	*	*			trans	-163.3	98.6	145.4	0	0	0	0	0	109.1
1115	N	32.2	Very low	37.9	Very low	122 Å²	122	133.9 Å²	133.9	65%	0.652	77%	0.767	S	S	*	*			trans	41.3	120.1	137.6	-58.9	70.1	0	0	0	118.4
1116	E	34.6	Very low	38	Very low	149 Å²	149	137.2 Å²	137.2	70%	0.696	77%	0.771	S	S	*	*				69.9	130.6	76.8	-68.2	156.6	-167.2	0	0	111.2
1117	E	32.8	Very low	36.4	Very low	146 Å²	146	135.5 Å²	135.5	68%	0.682	77%	0.774	S	S	*	*			cis	-156.7	159.3	13.6	-107.7	147.4	-173	0	0	110.3
1118	E	37	Very low	35.7	Very low	158 Å²	158	141.2 Å²	141.2	74%	0.738	78%	0.779	S	S	*	*			trans	50.7	152.6	140.6	-64.2	168.7	177.5	0	0	121
1119	E	38	Very low	37.4	Very low	155 Å²	155	141.6 Å²	141.6	72%	0.724	77%	0.773	S	S	*	*			cis	-154.4	-177.2	0.4	-128.9	175.8	172.5	0	0	111.1
1120	E	39.3	Very low	38.7	Very low	163 Å²	163	137.6 Å²	137.6	76%	0.762	77%	0.768	S	S	*	*			trans	13.2	127.5	162.5	-51.7	-170.4	134	0	0	121.8
1121	D	36.3	Very low	38.1	Very low	152 Å²	152	137.9 Å²	137.9	81%	0.813	77%	0.77	S	S	*	*				-177	122.6	94.1	-120.1	-17.5	0	0	0	117.1
1122	D	35.1	Very low	37.5	Very low	130 Å²	130	135.6 Å²	135.6	70%	0.695	76%	0.762	S	S	*	*			trans	38.3	162.7	140.4	-140.4	6.7	0	0	0	128.1
1123	M	30.3	Very low	38.5	Very low	159 Å²	159	136.2 Å²	136.2	78%	0.783	76%	0.758	S	S	*	*			trans	80.6	96.1	154	-59.5	-134.3	179.5	0	0	122.3
1124	S	33.9	Very low	38.6	Very low	113 Å²	113	137.3 Å²	137.3	79%	0.79	75%	0.754	S	S	*	*			trans	-84.2	130.5	155.4	173.6	0	0	0	0	112.9
1125	L	35.4	Very low	38.8	Very low	150 Å²	150	141.5 Å²	141.5	79%	0.785	76%	0.755	S	S	*	*			trans	-149.1	125.5	153.9	-80.8	176.8	0	0	0	108.4
1126	K	32	Very low	38.9	Very low	195 Å²	195	139.3 Å²	139.3	85%	0.848	76%	0.761	S	S	*	*			cis	91.1	94.4	32.6	-167.7	-177.2	-174.7	178.5	0	113.3
1127	G	28.3	Very low	39.2	Very low	79 Å²	79	139.6 Å²	139.6	81%	0.814	76%	0.763	S	S	*	*			trans	-146.3	142.3	171.5	0	0	0	0	0	112.2
1128	R	32	Very low	39.7	Very low	245 Å²	245	139.6 Å²	139.6	93%	0.925	77%	0.767	S	S	*	*			trans	-138.3	172.6	179.6	-116.2	-163.2	178.8	-147	0.7	109.2
1129	P	65.1	Low	39.9	Very low	109 Å²	109	139 Å²	139	71%	0.708	77%	0.769	S	S	*	*			trans	-71.9	-178.1	-172.8	35	-39.8	0	0	0	112
1130	P	59.6	Low	40.1	Very low	116 Å²	116	140 Å²	140	75%	0.753	77%	0.774	S	S	*	*			cis	-128.5	-152.2	16.3	44.6	-24.7	0	0	0	111.7
1131	P	47.7	Very low	40.1	Very low	118 Å²	118	138.9 Å²	138.9	77%	0.766	77%	0.773	S	S	*	*			cis	-138.7	-169.5	-3.1	37.9	-14.5	0	0	0	116.7
1132	A	41.1	Very low	40.4	Very low	84 Å²	84	138.7 Å²	138.7	69%	0.694	77%	0.772	S	S	*	*			trans	-81.2	-167.1	152	0	0	0	0	0	109.4
1133	P	54.2	Low	40.7	Very low	110 Å²	110	138.4 Å²	138.4	71%	0.714	77%	0.771	S	S	*	*			cis	-139.7	-149.3	3.4	45.4	-25.2	0	0	0	114.4
1134	L	35.8	Very low	41.1	Very low	140 Å²	140	136.8 Å²	136.8	73%	0.733	77%	0.765	S	S	*	*			trans	106.3	111.3	162.2	-77.3	118	0	0	0	119.6
1135	F	34.8	Very low	41.4	Very low	178 Å²	178	137.3 Å²	137.3	78%	0.781	76%	0.759	S	S	*	*			trans	55.7	147.1	130.5	-77	-95.1	0	0	0	122.9
1136	G	32.8	Very low	41.6	Very low	76 Å²	76	141 Å²	141	78%	0.784	76%	0.762	S	S	*	*			trans	163.5	59.6	-177	0	0	0	0	0	110.2
1137	E	41.1	Very low	42	Very low	155 Å²	155	139.2 Å²	139.2	72%	0.724	76%	0.761	S	S	*	*			trans	-84.9	-172.6	159.3	-69.5	168.5	131.6	0	0	108.3
1138	D	43.3	Very low	42.9	Very low	146 Å²	146	145 Å²	145	78%	0.781	79%	0.789	S	S	*	*			trans	101.9	105.1	-165	-55.8	-7.4	0	0	0	109.5
1139	D	42.5	Very low	43.4	Very low	145 Å²	145	140 Å²	140	78%	0.775	78%	0.782	S	S	*	*				76.5	139.3	65.8	-62.7	-15.8	0	0	0	111.4
1140	E	42.4	Very low	42.3	Very low	177 Å²	177	141.6 Å²	141.6	83%	0.827	79%	0.786	S	S	*	*			cis	-149.8	-175.4	13.2	-135.4	166.1	-174.9	0	0	111
1141	D	39.3	Very low	41.3	Very low	140 Å²	140	143.1 Å²	143.1	75%	0.749	79%	0.788	S	S	*	*			trans	-76.8	-168.8	-171.5	-62.3	-79.3	0	0	0	116.6
1142	D	41.3	Very low	41	Very low	148 Å²	148	144.5 Å²	144.5	79%	0.791	79%	0.789	S	S	*	*			trans	73.5	144.8	157.3	-65.6	-10.4	0	0	0	118.7
1143	D	40.9	Very low	41	Very low	124 Å²	124	148.3 Å²	148.3	66%	0.663	80%	0.795	S	S	*	*			cis	-159.1	170.9	-6.7	-141.7	-14.8	0	0	0	113.4
1144	L	40.2	Very low	40.1	Very low	124 Å²	124	150.9 Å²	150.9	65%	0.649	80%	0.801	S	S	*	*			trans	55.4	131.1	147.6	-73.5	163.8	0	0	0	123.9
1145	D	39	Very low	40.4	Very low	125 Å²	125	151.6 Å²	151.6	67%	0.668	81%	0.805	S	S	*	*				46.6	148.1	127.8	-73.7	-10.6	0	0	0	122.7
1146	W	39.4	Very low	40.8	Very low	228 Å²	228	149.6 Å²	149.6	86%	0.864	81%	0.807	S	S	*	*			cis	-152.4	-179.4	24.8	-129.2	2.1	0	0	0	114.8
1147	L	40.2	Very low	41.5	Very low	157 Å²	157	155.8 Å²	155.8	82%	0.822	81%	0.809	S	S	*	*			trans	-76.4	150.3	-176.4	-68.3	145.6	0	0	0	115.2
1148	S	48.1	Very low	41.5	Very low	200 Å²	200	155.8 Å²	155.8	100%	1.399	82%	0.817	S	S	*	*			trans	-160	0	140.9	-75.5	0	0	0	0	110.5

Retrieved 1,148 of 1,148 residues in 1166.4 ms (Link to these results)

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