A0A3Q0KH18_SCHMA Loading...

DNA topoisomerase 2

Control of topological states of DNA by transient breakage and subsequent rejoining of DNA strands. Topoisomerase II makes double-strand breaks.

AlphaFold DB , UniProt , Accession A0A3Q0KH18, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,599 aa.

						>A0A3Q0KH18_SCHMA|A0A3Q0KH18
MDAVVLPQPNGDILSSPENGVSGEAVKKRLSVERIYQKKTQLEHILLRPDSYIGSTLKDTQQMWVLDESQQHMVNRDITFSPGLYKIFDEILVNAADNKVRDPTMSCIKIDINPAENMVRIWNDGKGIPVVHHKVENTYVPTLIFGHLLTSSNYDDTERKVTGGRNGYGAKLCNIFSKKFIVETSSKEYKKSFRQVWVDNMTKTSDPKILADKGEDFTCITFYPDLSRFGMNELEQDTVSLFTRRAYDMAATCNGIKVFLNGKRLPIKNFVDYVNLFIKPNKDDADSVKVVYEAVNQRWQVAVAVSNTGFQQVSFVNSIATTKGGTHINYVSDQIVNKLMDIVKKKSGKSGVQIKPFQIKNHMWLFVNCLIENPTFDSQTKENMTLQIKSFGSTCTLSEKFIGQASKSGIVENVLSWIRFKAMEKMDKQCHKSKHSKLKGIPKLDDANNAGTKNSSQCTLILTEGDSAKTLAVAGLGVVGRDNYGVFPLRGKLLNVREASNKQIMENAEINALIKILGLQYKLKYESADTLKDLRYGKIMIMTDQDQDGSHIKGLIINFVHCNWPNLLKHNVVEEFITPIVKVFKGKQEHSFYSLPEFEEWQKSTPNWHTWRVKYYKGLGTSTSKEAKEYFSDMNRHRIRFRYSGIEDDGSIQLAFDKSKIADRKNWLTNFTQERKRRRELGLPEPYLYGKDTRAITYHDFVHKELVLFSNLDNERSIPSVVDGLKPGQRKVLFTCLKRNLIREIKVAQLAGSVAELSAYHHGEQSLMSTIIGLAQNFVGSNNLNLLQPIGQFGTRLSGGKDAASPRYIFTALNSLTRLIFHLEDDPLLNYLYDDNQRIEPEWYAPIIPMVLVNGADGIGTGYATHILNYNVIEIINNLYRMLDGEEPHRMLPNFRGFTGTIEDLGSNRYVCYGEVAVLDDDTLEITELPIRVWTQNYKESVLEPMLNGSEKVPACITDYKEYHTDVTVRFVIKMSPEKLREAESTGLHKFFKLQTVMSTGSMVCFDPLGCLKCYPNEIIIIREFYELRLTWYEKRKVYLEGVLSAEARKLENQARFVLEKIQSIMVIENKPKKELIRMLKEANYDSDPVKAWKESIDKAAALQEQEEARTDEAVSQTEAVEAGQPDYNYILNMPLWSLTKERKDDLLAQRDAKQKELLILKSKSPSDLWREDLKKLEEEYKKVEAELAADEQAAIEAADKKLKIASTTTAGRVAATKSRKLAMETRPDPMGRRIVPTVDADIMKKVEGNKKKRNKTENDPNEGNELDNSFEANDEENDGNDEPKPLAQRLGVSEKTDIQKTATTRGRGKGRTVPTSRPKLPKPSSPNNSPIKRKNMGGNAKRKRSSRMPWESGSDTGDSASHASIDSDNEYVSPISGGPAVDRVRREKAAATKYVFDDDSSSNEEDNEREENFKVVDHGQGNKEIDIPIVSEIQDTKSSIPSSSSGGGVSVKTDSGSTSRGASAIVSGRGRGRGGKGRQFSAPPKSQPSIKSMFPSQKKTTVNISTDDDSNDATSTTTQKEPRVISRRTVTNRARYVFDDDEDDDLAIDSDGSDAKKRSKGGSRKRKNDDDSDFEPEKVKKGKSKKGALDDSDFEFSD
					

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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	40.5	Very low	40	Very low	229 Å²	229	134.3 Å²	134.3	100%	1.128	79%	0.791	S	S	*	*				0	119.3	0	-72.7	158.7	169.9	0	0	105.9
2	D	35.7	Very low	39.6	Very low	152 Å²	152	135.3 Å²	135.3	81%	0.813	79%	0.79	S	S	*	*			trans	51.2	105.1	154.1	-38.2	-33.6	0	0	0	117.4
3	A	40.2	Very low	39.4	Very low	93 Å²	93	135.8 Å²	135.8	77%	0.769	79%	0.785	S	S	*	*				77	138.2	80.9	0	0	0	0	0	112.7
4	V	48.4	Very low	39.1	Very low	132 Å²	132	136.9 Å²	136.9	80%	0.8	79%	0.786	S	S	*	*			cis	-142.4	125.1	32.8	170.3	0	0	0	0	114.1
5	V	39.9	Very low	38.8	Very low	116 Å²	116	133.8 Å²	133.8	70%	0.703	78%	0.776	S	S	*	*			trans	23.4	126.3	133.1	-155.2	0	0	0	0	122.2
6	L	42.3	Very low	38.3	Very low	163 Å²	163	133.2 Å²	133.2	85%	0.853	78%	0.781	S	S	*	*				175.2	153.1	113.9	-86.5	172.9	0	0	0	111.6
7	P	40	Very low	38.1	Very low	97 Å²	97	131.6 Å²	131.6	63%	0.63	78%	0.776	S	S	*	*			trans	-145.1	151.9	-133.7	39.7	-19.1	0	0	0	120.5
8	Q	38.3	Very low	38	Very low	174 Å²	174	134.1 Å²	134.1	81%	0.813	78%	0.778	S	S	*	*			trans	64	175.9	144.2	-65	-74.8	-10.9	0	0	117.2
9	P	41.8	Very low	37.8	Very low	97 Å²	97	135.3 Å²	135.3	63%	0.63	78%	0.782	S	S	*	*			cis	-132.6	178.6	-1.9	44.9	-29.6	0	0	0	117
10	N	36.3	Very low	37.5	Very low	151 Å²	151	132 Å²	132	81%	0.807	78%	0.778	S	S	*	*			trans	65.7	120.8	146.7	-64.4	-11.8	0	0	0	123.6
11	G	36.4	Very low	37.3	Very low	73 Å²	73	132.2 Å²	132.2	75%	0.753	78%	0.781	S	S	*	*			trans	97.3	150.6	132.5	0	0	0	0	0	118.6
12	D	34.9	Very low	37.1	Very low	147 Å²	147	127 Å²	127	79%	0.786	77%	0.766	S	S	*	*			cis	-169	171.2	-18.4	-140.6	-35.9	0	0	0	110.2
13	I	37.7	Very low	37.2	Very low	141 Å²	141	123.5 Å²	123.5	72%	0.723	77%	0.766	S	S	*	*			trans	64.7	134.5	155.2	-70.5	165.1	0	0	0	117.8
14	L	35.6	Very low	37.1	Very low	152 Å²	152	129 Å²	129	80%	0.796	78%	0.776	S	S	*	*			cis	-154.7	169.1	-10.6	-118.3	174.9	0	0	0	110.5
15	S	34.4	Very low	36.9	Very low	90 Å²	90	127.5 Å²	127.5	63%	0.629	78%	0.778	S	S	*	*			trans	-76.2	163.9	-175	56.9	0	0	0	0	116.7
16	S	30.9	Very low	37	Very low	124 Å²	124	128.6 Å²	128.6	87%	0.867	78%	0.784	S	S	*	*			trans	-138.1	136.5	139.4	-72.8	0	0	0	0	109.2
17	P	35.1	Very low	37.2	Very low	106 Å²	106	130.4 Å²	130.4	69%	0.688	79%	0.786	S	S	*	*			trans	-113.3	163.5	-150.9	41.3	-33.2	0	0	0	115.1
18	E	34.9	Very low	37.9	Very low	176 Å²	176	135.3 Å²	135.3	82%	0.822	80%	0.797	S	S	*	*	S	Bend	trans	-70.3	151.4	152	-64.1	-173.6	130.8	0	0	110.2
19	N	34.5	Very low	38.7	Very low	158 Å²	158	138.8 Å²	138.8	85%	0.845	80%	0.803	S	S	*	*			trans	88	118.3	179.9	-51.7	-69.2	0	0	0	117.7
20	G	31.7	Very low	40.3	Very low	69 Å²	69	139.5 Å²	139.5	71%	0.711	80%	0.8	S	S	*	*				100.2	116.7	123.1	0	0	0	0	0	119.8
21	V	33.6	Very low	42.3	Very low	137 Å²	137	134.7 Å²	134.7	83%	0.83	78%	0.779	S	S	*	*			trans	66.6	96.9	137.2	-171.1	0	0	0	0	118.7
22	S	36.3	Very low	44.3	Very low	118 Å²	118	135.6 Å²	135.6	83%	0.825	77%	0.77	S	S	*	*			trans	32.9	120.3	145.3	63	0	0	0	0	121.6
23	G	37.7	Very low	46.6	Very low	79 Å²	79	135.1 Å²	135.1	81%	0.814	76%	0.763	S	S	*	*			trans	-171.2	124.1	156.2	0	0	0	0	0	112.6
24	E	37.6	Very low	48.7	Very low	208 Å²	208	136.8 Å²	136.8	97%	0.972	76%	0.76	S	S	*	*			trans	-82.7	137.7	174.1	-67.6	-171.2	111.1	0	0	111.4
25	A	44.3	Very low	50.9	Low	101 Å²	101	133.7 Å²	133.7	84%	0.835	74%	0.743	S	S	*	*			trans	-122.1	130.2	179.2	0	0	0	0	0	112.1
26	V	43.4	Very low	53.3	Low	139 Å²	139	137.9 Å²	137.9	84%	0.842	75%	0.747	S	S	*	*			trans	-75.3	131	-165.3	180	0	0	0	0	113.4	K28	V26-K28 PolarHBondContact O-N 3.18Å
27	K	46.8	Very low	55.8	Low	202 Å²	202	137.6 Å²	137.6	88%	0.878	73%	0.731	S	S	*	*			trans	-65.4	98.6	169	-72.4	179.4	178	173.4	0	111.4	R29	K27-R29 PolarHBondContact O-N 3.49Å
28	K	53.7	Low	58.4	Low	199 Å²	199	142.1 Å²	142.1	87%	0.865	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-61.9	130.6	163.9	-77.9	-176.8	174.9	177.1	0	110	V26	V26-K28 PolarHBondContact O-N 3.18Å
29	R	54.5	Low	60.9	Low	247 Å²	247	137.8 Å²	137.8	93%	0.932	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-68.1	136.2	170.9	-74.2	-178.8	170.7	-179.6	-3.6	109.8	K27	K27-R29 PolarHBondContact O-N 3.49Å
30	L	75.3	Confident	63.6	Low	112 Å²	112	133.9 Å²	133.9	59%	0.586	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-73.8	159.2	167.6	-72.1	165	0	0	0	110.2	R34 I35	L30-R34 HydrophobicContact CB-CB 4.46Å; L30-I35 HydrophobicContact CB-CD1 4.05Å; L30-I35 HydrophobicContact CB-CG1 3.71Å; L30-I35 HydrophobicContact CD1-CG1 4.49Å
31	S	79.2	Confident	66.4	Low	51 Å²	51	134 Å²	134	36%	0.357	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-73	157.8	171.4	80	0	0	0	0	111.3	E33 R34 I35	S31-E33 VanDerWaalsContact C-N 3.26Å; S31-E33 WeakPolarHBondContact CB-OE2 3.47Å; S31-E33 PolarHBondContact O-N 2.77Å; S31-E33 PolarHBondContact OG-OE2 2.64Å; S31-R34 PolarHBondContact O-N 3.02Å; S31-R34 VanDerWaalsContact O-N 3.09Å; S31-I35 WeakPolarHBondContact O-CG1 3.48Å; S31-I35 PolarHBondContact O-N 2.82Å; S31-I35 VanDerWaalsContact O-N 3.08Å
32	V	78.6	Confident	69.1	Low	92 Å²	92	129.5 Å²	129.5	56%	0.558	65%	0.654	S	S	*	*	H	α-helix	trans	-59.7	-39.3	-174	-179.7	0	0	0	0	111.1	R34 I35 Y36	V32-R34 VanDerWaalsContact C-N 3.32Å; V32-R34 PolarHBondContact O-N 3.13Å; V32-I35 PolarHBondContact O-N 3.31Å; V32-Y36 HydrophobicContact CG1-CD2 3.72Å; V32-Y36 HydrophobicContact CG1-CE2 4.17Å; V32-Y36 WeakPolarHBondContact O-CD2 3.17Å; V32-Y36 PolarHBondContact O-N 2.83Å
33	E	83.7	Confident	71.7	Confident	136 Å²	136	127.9 Å²	127.9	64%	0.636	63%	0.633	S	S	*	*	H	α-helix	trans	-70.7	-27.9	-178.9	-40.8	69.1	-146	0	0	112	S31	S31-E33 VanDerWaalsContact C-N 3.26Å; S31-E33 WeakPolarHBondContact CB-OE2 3.47Å; S31-E33 PolarHBondContact O-N 2.77Å; S31-E33 PolarHBondContact OG-OE2 2.64Å
34	R	81.4	Confident	74.3	Confident	176 Å²	176	127.7 Å²	127.7	66%	0.664	61%	0.611	S	S	*	*	H	α-helix	trans	-79.3	-29.7	173.6	-70.2	-175	178.4	-157.7	-0.4	112.1	L30 S31 V32 Q37	L30-R34 HydrophobicContact CB-CB 4.46Å; S31-R34 PolarHBondContact O-N 3.02Å; S31-R34 VanDerWaalsContact O-N 3.09Å; V32-R34 VanDerWaalsContact C-N 3.32Å; V32-R34 PolarHBondContact O-N 3.13Å; R34-Q37 PolarHBondContact O-NE2 3.05Å
35	I	80.8	Confident	76.8	Confident	87 Å²	87	117.8 Å²	117.8	45%	0.446	56%	0.564	S	S	.	*	H	α-helix	trans	-76.6	-51.1	177	-65	166	0	0	0	110.8	L30 S31 V32	L30-I35 HydrophobicContact CB-CD1 4.05Å; L30-I35 HydrophobicContact CB-CG1 3.71Å; L30-I35 HydrophobicContact CD1-CG1 4.49Å; S31-I35 WeakPolarHBondContact O-CG1 3.48Å; S31-I35 PolarHBondContact O-N 2.82Å; S31-I35 VanDerWaalsContact O-N 3.08Å; V32-I35 PolarHBondContact O-N 3.31Å
36	Y	85	Confident	79.1	Confident	179 Å²	179	114.7 Å²	114.7	70%	0.702	53%	0.534	S	S	*	.	S	Bend	trans	-104.1	93	-172.8	-58.7	-76.9	0	0	0	111.2	V32	V32-Y36 HydrophobicContact CG1-CD2 3.72Å; V32-Y36 HydrophobicContact CG1-CE2 4.17Å; V32-Y36 WeakPolarHBondContact O-CD2 3.17Å; V32-Y36 PolarHBondContact O-N 2.83Å
37	Q	85.2	Confident	81.3	Confident	118 Å²	118	112.9 Å²	112.9	55%	0.551	52%	0.519	S	S	*	.			trans	-105.6	123.3	-177.6	-58.1	-179.4	30.5	0	0	111.4	R34 K39	R34-Q37 PolarHBondContact O-NE2 3.05Å; Q37-K39 VanDerWaalsContact OE1-CE 3.29Å
38	K	88.1	Confident	83.3	Confident	200 Å²	200	111.3 Å²	111.3	87%	0.87	51%	0.507	S	S	*	.			trans	-76.1	141.9	163.4	-171.2	175.3	-179.3	-180	0	109.2
39	K	88.1	Confident	85	Confident	86 Å²	86	102.7 Å²	102.7	37%	0.374	47%	0.472	S	S	.	.			trans	-127.6	154.5	173.2	-60.6	-62	172.7	-164.5	0	110.5	Q37 E43 L47	Q37-K39 VanDerWaalsContact OE1-CE 3.29Å; K39-E43 WeakPolarHBondContact CA-OE2 3.3Å; K39-E43 HydrophobicContact CB-CB 4.04Å; K39-E43 HydrophobicContact CD-CB 4.4Å; K39-E43 WeakPolarHBondContact CD-OE2 3.48Å; K39-L47 HydrophobicContact CD-CD1 3.78Å; K39-L47 HydrophobicContact CG-CD1 3.99Å
40	T	90.9	Very high	86.4	Confident	76 Å²	76	96.2 Å²	96.2	47%	0.466	46%	0.456	S	S	.	.			trans	-73.1	165	166.6	73.2	0	0	0	0	110.6	L42 E43 H44	T40-L42 VanDerWaalsContact C-N 3.3Å; T40-L42 PolarHBondContact O-N 3.2Å; T40-E43 PolarHBondContact N-OE2 3.45Å; T40-E43 PolarHBondContact O-N 2.65Å; T40-E43 WeakPolarHBondContact OG1-CB 3.48Å; T40-E43 VanDerWaalsContact OG1-CG 3.28Å; T40-E43 WeakPolarHBondContact OG1-CG 3.41Å; T40-E43 PolarHBondContact OG1-N 3.14Å; T40-E43 VanDerWaalsContact OG1-N 3.1Å; T40-H44 WeakPolarHBondContact O-CB 3.19Å; T40-H44 PolarHBondContact O-N 3.17Å
41	Q	89.9	Confident	86.8	Confident	71 Å²	71	94.2 Å²	94.2	33%	0.332	45%	0.451	S	S	.	.	H	α-helix	trans	-62.8	-37.4	177.2	-165.4	-177.9	13.6	0	0	111.9	H44 I45 L148 Y168	Q41-H44 PolarHBondContact O-N 2.8Å; Q41-I45 HydrophobicContact CG-CD1 4.28Å; Q41-I45 WeakPolarHBondContact O-CD1 3.45Å; Q41-I45 VanDerWaalsContact O-CG1 3.24Å; Q41-I45 WeakPolarHBondContact O-CG1 3.36Å; Q41-I45 PolarHBondContact O-N 3.33Å; Q41-L148 HydrophobicContact CB-CD1 4.29Å; Q41-L148 HydrophobicContact CG-CD1 4Å; Q41-Y168 PolarHBondContact NE2-OH 2.69Å; Q41-Y168 VanDerWaalsContact NE2-OH 3.09Å
42	L	90.9	Very high	87.1	Confident	43 Å²	43	93.4 Å²	93.4	23%	0.225	44%	0.44	C	S	.	.	H	α-helix	trans	-69.6	-43.6	177.6	-170.6	154.6	0	0	0	111.4	T40 H44 I45 L46 I175 M201 T202	T40-L42 VanDerWaalsContact C-N 3.3Å; T40-L42 PolarHBondContact O-N 3.2Å; L42-H44 VanDerWaalsContact C-N 3.32Å; L42-H44 PolarHBondContact O-N 2.58Å; L42-I45 PolarHBondContact O-N 2.75Å; L42-L46 HydrophobicContact CD2-CD1 3.7Å; L42-L46 HydrophobicContact CD2-CG 4.36Å; L42-L46 PolarHBondContact O-N 2.98Å; L42-I175 HydrophobicContact CD1-CG1 4.44Å; L42-I175 HydrophobicContact CG-CD1 4.44Å; L42-I175 HydrophobicContact CG-CG1 4.48Å; L42-M201 HydrophobicContact CD1-CE 4.12Å; L42-T202 HydrophobicContact CD2-CG2 4.44Å
43	E	90.1	Very high	87.5	Confident	83 Å²	83	89.1 Å²	89.1	39%	0.388	41%	0.414	S	S	.	.	H	α-helix	trans	-59	-42.7	171	-74.5	173.7	162.2	0	0	111.8	K39 T40 L46 L47	K39-E43 WeakPolarHBondContact CA-OE2 3.3Å; K39-E43 HydrophobicContact CB-CB 4.04Å; K39-E43 HydrophobicContact CD-CB 4.4Å; K39-E43 WeakPolarHBondContact CD-OE2 3.48Å; T40-E43 PolarHBondContact N-OE2 3.45Å; T40-E43 PolarHBondContact O-N 2.65Å; T40-E43 WeakPolarHBondContact OG1-CB 3.48Å; T40-E43 VanDerWaalsContact OG1-CG 3.28Å; T40-E43 WeakPolarHBondContact OG1-CG 3.41Å; T40-E43 PolarHBondContact OG1-N 3.14Å; T40-E43 VanDerWaalsContact OG1-N 3.1Å; E43-L46 PolarHBondContact O-N 2.71Å; E43-L47 HydrophobicContact CB-CD1 4.47Å; E43-L47 VanDerWaalsContact O-CB 3.25Å; E43-L47 WeakPolarHBondContact O-CB 3.43Å; E43-L47 WeakPolarHBondContact O-CG 3.5Å; E43-L47 PolarHBondContact O-N 3.05Å
44	H	92.2	Very high	87.6	Confident	75 Å²	75	82.9 Å²	82.9	35%	0.347	39%	0.387	S	S	.	.	H	α-helix	trans	-63.9	-43.2	178.9	-173.3	-105	0	0	0	111.7	T40 Q41 L42 L46 L47 R48 Y52	T40-H44 WeakPolarHBondContact O-CB 3.19Å; T40-H44 PolarHBondContact O-N 3.17Å; Q41-H44 PolarHBondContact O-N 2.8Å; L42-H44 VanDerWaalsContact C-N 3.32Å; L42-H44 PolarHBondContact O-N 2.58Å; H44-L46 PolarHBondContact O-N 3.2Å; H44-L47 PolarHBondContact O-N 3.16Å; H44-R48 WeakPolarHBondContact O-CA 3.47Å; H44-R48 WeakPolarHBondContact O-CB 3.31Å; H44-R48 PolarHBondContact O-N 3.38Å; H44-Y52 AromaticContact ND1-CE2 3.55Å; H44-Y52 AromaticContact ND1-CZ 3.7Å; H44-Y52 PolarHBondContact ND1-OH 3.21Å
45	I	91.6	Very high	87.9	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-58.7	-45.2	174.3	-70.6	161.8	0	0	0	111	Q41 L42 R48 P49 Y52 L148 L172 I175 F176	Q41-I45 HydrophobicContact CG-CD1 4.28Å; Q41-I45 WeakPolarHBondContact O-CD1 3.45Å; Q41-I45 VanDerWaalsContact O-CG1 3.24Å; Q41-I45 WeakPolarHBondContact O-CG1 3.36Å; Q41-I45 PolarHBondContact O-N 3.33Å; L42-I45 PolarHBondContact O-N 2.75Å; I45-R48 CarbonylContact O-C 3.47Å; I45-P49 VanDerWaalsContact O-CA 3.32Å; I45-P49 WeakPolarHBondContact O-CA 3.49Å; I45-Y52 HydrophobicContact CB-CD2 4.22Å; I45-Y52 HydrophobicContact CB-CE2 4.26Å; I45-Y52 HydrophobicContact CD1-CD1 4.49Å; I45-Y52 HydrophobicContact CD1-CE1 4.34Å; I45-Y52 HydrophobicContact CG1-CD1 3.93Å; I45-Y52 HydrophobicContact CG1-CD2 3.73Å; I45-Y52 HydrophobicContact CG1-CE1 3.78Å; I45-Y52 HydrophobicContact CG1-CE2 3.56Å; I45-Y52 HydrophobicContact CG1-CG 3.91Å; I45-Y52 HydrophobicContact CG2-CD2 4.43Å; I45-L148 HydrophobicContact CD1-CD1 3.66Å; I45-L148 HydrophobicContact CD1-CD2 3.86Å; I45-L148 HydrophobicContact CD1-CG 4.45Å; I45-L172 HydrophobicContact CD1-CD2 4.16Å; I45-L172 HydrophobicContact CG1-CD2 4.45Å; I45-L172 HydrophobicContact CG2-CD2 3.86Å; I45-I175 HydrophobicContact CD1-CD1 4.04Å; I45-I175 HydrophobicContact CG2-CD1 4.35Å; I45-I175 HydrophobicContact CG2-CG2 3.92Å; I45-F176 HydrophobicContact CG2-CE2 3.55Å; I45-F176 HydrophobicContact CG2-CZ 4.09Å
46	L	91.4	Very high	88.4	Confident	37 Å²	37	73.4 Å²	73.4	19%	0.194	35%	0.354	C	S	.	.	H	α-helix	trans	-73.4	-29.3	179.7	-70.9	179.1	0	0	0	114.1	L42 E43 H44 I175 F176 N200	L42-L46 HydrophobicContact CD2-CD1 3.7Å; L42-L46 HydrophobicContact CD2-CG 4.36Å; L42-L46 PolarHBondContact O-N 2.98Å; E43-L46 PolarHBondContact O-N 2.71Å; H44-L46 PolarHBondContact O-N 3.2Å; L46-I175 HydrophobicContact CD2-CG2 3.48Å; L46-I175 VanDerWaalsContact CD2-CG2 3.48Å; L46-I175 HydrophobicContact CG-CG2 3.86Å; L46-F176 HydrophobicContact CD2-CD1 4.42Å; L46-F176 HydrophobicContact CD2-CE1 3.96Å; L46-F176 HydrophobicContact CD2-CZ 4Å; L46-N200 HydrophobicContact CD1-CB 4.2Å
47	L	89.5	Confident	88.7	Confident	100 Å²	100	71 Å²	71	52%	0.524	35%	0.353	S	S	.	.	H	α-helix	trans	-84.5	-26.6	177.6	-73.1	168.2	0	0	0	113.3	K39 E43 H44	K39-L47 HydrophobicContact CD-CD1 3.78Å; K39-L47 HydrophobicContact CG-CD1 3.99Å; E43-L47 HydrophobicContact CB-CD1 4.47Å; E43-L47 VanDerWaalsContact O-CB 3.25Å; E43-L47 WeakPolarHBondContact O-CB 3.43Å; E43-L47 WeakPolarHBondContact O-CG 3.5Å; E43-L47 PolarHBondContact O-N 3.05Å; H44-L47 PolarHBondContact O-N 3.16Å
48	R	89.1	Confident	88.9	Confident	169 Å²	169	69.3 Å²	69.3	64%	0.638	34%	0.344	S	S	*	.			trans	-138.1	67.7	-177.1	-62.2	-62.2	173	93	-2.3	110.1	H44 I45 D50 S51 Y52	H44-R48 WeakPolarHBondContact O-CA 3.47Å; H44-R48 WeakPolarHBondContact O-CB 3.31Å; H44-R48 PolarHBondContact O-N 3.38Å; I45-R48 CarbonylContact O-C 3.47Å; R48-D50 PolarHBondContact O-N 3.47Å; R48-S51 PolarHBondContact O-OG 3.39Å; R48-Y52 WeakPolarHBondContact O-CD2 3.43Å
49	P	89.4	Confident	89	Confident	18 Å²	18	63.3 Å²	63.3	12%	0.117	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.1	-179.2	22.2	-34.1	0	0	0	113.8	I45 S51 Y52 I53 T56 F176	I45-P49 VanDerWaalsContact O-CA 3.32Å; I45-P49 WeakPolarHBondContact O-CA 3.49Å; P49-S51 VanDerWaalsContact C-N 3.33Å; P49-S51 PolarHBondContact O-N 3.1Å; P49-Y52 PolarHBondContact O-N 3.17Å; P49-I53 HydrophobicContact CB-CD1 4.07Å; P49-I53 HydrophobicContact CB-CG1 3.88Å; P49-I53 WeakPolarHBondContact O-CG1 3.3Å; P49-I53 PolarHBondContact O-N 2.87Å; P49-T56 HydrophobicContact CB-CG2 3.58Å; P49-T56 HydrophobicContact CG-CG2 3.52Å; P49-F176 HydrophobicContact CB-CE1 4.17Å; P49-F176 HydrophobicContact CB-CZ 3.74Å
50	D	84.7	Confident	89.2	Confident	111 Å²	111	63 Å²	63	59%	0.594	33%	0.327	S	S	*	.	H	α-helix	trans	-55.8	-42	-167.6	-165.3	40.3	0	0	0	113.6	R48 Y52 G54 S55	R48-D50 PolarHBondContact O-N 3.47Å; D50-Y52 PolarHBondContact O-N 3.25Å; D50-G54 VanDerWaalsContact O-CA 3.26Å; D50-G54 WeakPolarHBondContact O-CA 3.47Å; D50-G54 PolarHBondContact O-N 2.95Å; D50-S55 PolarHBondContact OD1-N 2.86Å
51	S	82.4	Confident	89	Confident	70 Å²	70	63 Å²	63	49%	0.49	32%	0.321	S	S	.	.	H	α-helix	trans	-71.3	-7.2	177.9	55.4	0	0	0	0	115.2	R48 P49	R48-S51 PolarHBondContact O-OG 3.39Å; P49-S51 VanDerWaalsContact C-N 3.33Å; P49-S51 PolarHBondContact O-N 3.1Å
52	Y	85.4	Confident	88.9	Confident	34 Å²	34	65.8 Å²	65.8	13%	0.133	33%	0.334	C	S	.	.	H	α-helix	trans	-120.3	-43.5	-174.5	-60.5	-81.2	0	0	0	113.3	H44 I45 R48 P49 D50 Y168 L172 Q379	H44-Y52 AromaticContact ND1-CE2 3.55Å; H44-Y52 AromaticContact ND1-CZ 3.7Å; H44-Y52 PolarHBondContact ND1-OH 3.21Å; I45-Y52 HydrophobicContact CB-CD2 4.22Å; I45-Y52 HydrophobicContact CB-CE2 4.26Å; I45-Y52 HydrophobicContact CD1-CD1 4.49Å; I45-Y52 HydrophobicContact CD1-CE1 4.34Å; I45-Y52 HydrophobicContact CG1-CD1 3.93Å; I45-Y52 HydrophobicContact CG1-CD2 3.73Å; I45-Y52 HydrophobicContact CG1-CE1 3.78Å; I45-Y52 HydrophobicContact CG1-CE2 3.56Å; I45-Y52 HydrophobicContact CG1-CG 3.91Å; I45-Y52 HydrophobicContact CG2-CD2 4.43Å; R48-Y52 WeakPolarHBondContact O-CD2 3.43Å; P49-Y52 PolarHBondContact O-N 3.17Å; D50-Y52 PolarHBondContact O-N 3.25Å; Y52-Y168 HydrophobicContact CD1-CD1 4.38Å; Y52-Y168 HydrophobicContact CD1-CE1 4.2Å; Y52-Y168 HydrophobicContact CE1-CE1 4.01Å; Y52-L172 HydrophobicContact CD1-CD2 4.43Å; Y52-L172 HydrophobicContact CG-CD2 4.38Å; Y52-L172 WeakPolarHBondContact O-CD1 3.24Å; Y52-Q379 VanDerWaalsContact O-CG 3.27Å; Y52-Q379 WeakPolarHBondContact O-CG 3.4Å
53	I	87.5	Confident	88.8	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-123.2	-7.1	-179.3	62	170.1	0	0	0	113.2	P49 T56 G83 K86 I87 L172 F176 F229	P49-I53 HydrophobicContact CB-CD1 4.07Å; P49-I53 HydrophobicContact CB-CG1 3.88Å; P49-I53 WeakPolarHBondContact O-CG1 3.3Å; P49-I53 PolarHBondContact O-N 2.87Å; I53-T56 HydrophobicContact CD1-CG2 4.14Å; I53-G83 WeakPolarHBondContact O-CA 3.46Å; I53-K86 HydrophobicContact CB-CB 4.36Å; I53-K86 VanDerWaalsContact O-CB 3.22Å; I53-K86 WeakPolarHBondContact O-CB 3.22Å; I53-I87 HydrophobicContact CB-CG2 4.45Å; I53-I87 HydrophobicContact CD1-CG2 4.37Å; I53-I87 HydrophobicContact CG2-CG2 3.75Å; I53-L172 HydrophobicContact CG2-CB 3.83Å; I53-L172 HydrophobicContact CG2-CD1 3.83Å; I53-L172 HydrophobicContact CG2-CG 4.27Å; I53-F176 HydrophobicContact CD1-CD1 3.99Å; I53-F176 HydrophobicContact CD1-CD2 3.65Å; I53-F176 HydrophobicContact CD1-CE1 3.98Å; I53-F176 HydrophobicContact CD1-CE2 3.62Å; I53-F176 HydrophobicContact CD1-CG 3.85Å; I53-F176 HydrophobicContact CD1-CZ 3.81Å; I53-F176 HydrophobicContact CG1-CE2 4.28Å; I53-F229 HydrophobicContact CD1-CE1 3.91Å; I53-F229 HydrophobicContact CD1-CZ 4.25Å
54	G	85.9	Confident	88.7	Confident	6 Å²	6	63.7 Å²	63.7	6%	0.062	32%	0.321	C	S	.	.			trans	84.6	177.5	-166.4	0	0	0	0	0	112.6	D50 T56	D50-G54 VanDerWaalsContact O-CA 3.26Å; D50-G54 WeakPolarHBondContact O-CA 3.47Å; D50-G54 PolarHBondContact O-N 2.95Å; G54-T56 PolarHBondContact O-N 3.23Å
55	S	89	Confident	88.6	Confident	38 Å²	38	60.2 Å²	60.2	27%	0.266	31%	0.305	S	S	.	.			trans	-50.5	133.5	-178.3	176.1	0	0	0	0	112.6	D50 L57 P82 G83	D50-S55 PolarHBondContact OD1-N 2.86Å; S55-L57 WeakPolarHBondContact OG-CB 3.31Å; S55-L57 PolarHBondContact OG-N 3.27Å; S55-L57 PolarHBondContact OG-O 2.81Å; S55-P82 WeakPolarHBondContact O-CD 3.33Å; S55-G83 PolarHBondContact O-N 2.82Å
56	T	90.3	Very high	88.5	Confident	25 Å²	25	60.7 Å²	60.7	15%	0.153	31%	0.308	C	S	.	.			trans	-85.3	-18.4	167	55.1	0	0	0	0	112.9	P49 I53 G54 S81 F176 R228 F229	P49-T56 HydrophobicContact CB-CG2 3.58Å; P49-T56 HydrophobicContact CG-CG2 3.52Å; I53-T56 HydrophobicContact CD1-CG2 4.14Å; G54-T56 PolarHBondContact O-N 3.23Å; T56-S81 VanDerWaalsContact C-OG 3.3Å; T56-S81 WeakPolarHBondContact CA-OG 3.31Å; T56-S81 PolarHBondContact O-OG 3.44Å; T56-F176 HydrophobicContact CG2-CE1 4.33Å; T56-R228 VanDerWaalsContact CB-O 3.25Å; T56-R228 WeakPolarHBondContact CB-O 3.12Å; T56-R228 PolarHBondContact OG1-O 3.18Å; T56-F229 HydrophobicContact CG2-CD1 3.79Å; T56-F229 HydrophobicContact CG2-CE1 3.79Å; T56-F229 CarbonylContact O-C 3.53Å; T56-F229 WeakPolarHBondContact O-CA 3.18Å
57	L	90.3	Very high	88.2	Confident	130 Å²	130	61.3 Å²	61.3	68%	0.681	31%	0.311	S	S	*	.	S	Bend	trans	-64	143.6	170.9	-56.1	176.2	0	0	0	109.3	S55 P82	S55-L57 WeakPolarHBondContact OG-CB 3.31Å; S55-L57 PolarHBondContact OG-N 3.27Å; S55-L57 PolarHBondContact OG-O 2.81Å; L57-P82 WeakPolarHBondContact O-CD 3.43Å
58	K	90.5	Very high	87.6	Confident	81 Å²	81	62 Å²	62	35%	0.352	31%	0.311	S	S	.	.			trans	-62.6	136.9	171	-61.8	-175.4	-177.1	-173.5	0	110.1	T79 F80 G230 E235	K58-T79 HydrophobicContact CB-CG2 4.1Å; K58-T79 HydrophobicContact CD-CG2 4.28Å; K58-F80 CarbonylContact C-O 3.58Å; K58-F80 VanDerWaalsContact CA-O 3.3Å; K58-F80 WeakPolarHBondContact CA-O 3.38Å; K58-G230 VanDerWaalsContact CE-O 3.23Å; K58-G230 WeakPolarHBondContact CE-O 3.27Å; K58-E235 IonicContact NZ-OE1 2.82Å; K58-E235 PolarHBondContact NZ-OE1 3.03Å; K58-E235 IonicContact NZ-OE2 2.68Å; K58-E235 PolarHBondContact NZ-OE2 3.31Å
59	D	89.5	Confident	87.1	Confident	74 Å²	74	58.8 Å²	58.8	40%	0.396	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.4	172.3	-169.5	16.7	0	0	0	109.2	Q61 T79 F80 P82	D59-Q61 WeakPolarHBondContact OD2-CG 3.16Å; D59-Q61 PolarHBondContact OD2-NE2 2.91Å; D59-T79 WeakPolarHBondContact O-CA 3.22Å; D59-F80 PolarHBondContact N-O 2.88Å; D59-F80 PolarHBondContact O-N 3.19Å; D59-P82 HydrophobicContact CB-CG 4.34Å
60	T	92.2	Very high	86.3	Confident	81 Å²	81	63.3 Å²	63.3	50%	0.497	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	105.3	-178.7	-56.6	0	0	0	0	108.9	D77 I78 T79	T60-D77 HydrophobicContact CG2-CB 4.12Å; T60-I78 WeakPolarHBondContact CA-O 3.24Å; T60-T79 PolarHBondContact OG1-OG1 3.26Å
61	Q	87.2	Confident	86.2	Confident	75 Å²	75	61.9 Å²	61.9	35%	0.35	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	148.4	-175.5	-59.7	-173.3	6.2	0	0	111.2	D59 M63 I78 F80	D59-Q61 WeakPolarHBondContact OD2-CG 3.16Å; D59-Q61 PolarHBondContact OD2-NE2 2.91Å; Q61-M63 HydrophobicContact CB-CG 4.1Å; Q61-M63 HydrophobicContact CB-SD 4.45Å; Q61-M63 PolarHBondContact O-N 3.08Å; Q61-I78 PolarHBondContact N-O 3.5Å; Q61-I78 PolarHBondContact O-N 3.21Å; Q61-F80 HydrophobicContact CB-CE1 4.36Å; Q61-F80 HydrophobicContact CG-CE1 4.41Å
62	Q	88	Confident	86.3	Confident	130 Å²	130	59.6 Å²	59.6	61%	0.607	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	115.6	167	-77.4	-165.1	0	0	0	110.1	N75 R76 D77	Q62-N75 PolarHBondContact OE1-ND2 3.4Å; Q62-R76 WeakPolarHBondContact CA-O 3.42Å; Q62-D77 WeakPolarHBondContact CG-OD1 3.28Å; Q62-D77 PolarHBondContact NE2-OD1 2.96Å; Q62-D77 VanDerWaalsContact NE2-OD1 3.1Å
63	M	87.7	Confident	86.4	Confident	22 Å²	22	58.2 Å²	58.2	11%	0.108	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142.1	-179	-63.7	-172	76.2	0	0	110.5	Q61 N75 R76 I78 F80 L241	Q61-M63 HydrophobicContact CB-CG 4.1Å; Q61-M63 HydrophobicContact CB-SD 4.45Å; Q61-M63 PolarHBondContact O-N 3.08Å; M63-N75 VanDerWaalsContact C-OD1 3.31Å; M63-N75 PolarHBondContact N-OD1 2.59Å; M63-R76 PolarHBondContact N-O 2.87Å; M63-R76 PolarHBondContact O-N 3.5Å; M63-I78 HydrophobicContact CB-CD1 3.95Å; M63-I78 HydrophobicContact CB-CG1 4.35Å; M63-F80 HydrophobicContact CE-CZ 4.45Å; M63-F80 HydrophobicContact SD-CD1 4.35Å; M63-F80 HydrophobicContact SD-CE1 3.46Å; M63-F80 WeakPolarHBondContact SD-CE1 3.11Å; M63-F80 HydrophobicContact SD-CZ 3.57Å; M63-F80 VanDerWaalsContact SD-CZ 3.57Å; M63-L241 HydrophobicContact CB-CD2 4.26Å; M63-L241 HydrophobicContact CE-CD2 3.62Å; M63-L241 HydrophobicContact SD-CD1 4.2Å; M63-L241 HydrophobicContact SD-CD2 3.71Å
64	W	89.3	Confident	86.5	Confident	60 Å²	60	60.2 Å²	60.2	23%	0.227	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	130.8	163.4	-64.8	99.4	0	0	0	109.7	M73 V74 N75 R244 F277 W364	W64-M73 HydrophobicContact CE3-CB 3.88Å; W64-V74 WeakPolarHBondContact CA-O 3.28Å; W64-V74 VanDerWaalsContact CE3-C 3.45Å; W64-N75 HydrophobicContact CD2-CB 3.78Å; W64-N75 HydrophobicContact CE3-CB 3.82Å; W64-N75 VanDerWaalsContact CE3-N 3.26Å; W64-N75 HydrophobicContact CG-CB 4.46Å; W64-N75 HydrophobicContact CH2-CB 3.86Å; W64-N75 HydrophobicContact CZ2-CB 3.84Å; W64-N75 HydrophobicContact CZ3-CB 3.86Å; W64-R244 WeakPolarHBondContact O-CD 3.39Å; W64-F277 HydrophobicContact CB-CE1 3.75Å; W64-F277 AromaticContact CD2-CD1 3.84Å; W64-F277 HydrophobicContact CD2-CD1 3.84Å; W64-F277 AromaticContact CD2-CE1 3.94Å; W64-F277 HydrophobicContact CD2-CE1 3.94Å; W64-F277 AromaticContact CE3-CD1 3.96Å; W64-F277 HydrophobicContact CE3-CD1 3.96Å; W64-F277 HydrophobicContact CE3-CE1 4.32Å; W64-F277 HydrophobicContact CG-CD1 4.08Å; W64-F277 AromaticContact CG-CE1 3.67Å; W64-F277 HydrophobicContact CG-CE1 3.67Å; W64-W364 HydrophobicContact CD2-CZ2 4.47Å; W64-W364 AromaticContact CE2-CH2 3.99Å; W64-W364 AromaticContact CE2-CZ2 3.67Å; W64-W364 AromaticContact CH2-CH2 3.36Å; W64-W364 HydrophobicContact CH2-CH2 3.36Å; W64-W364 AromaticContact CH2-CZ2 3.95Å; W64-W364 HydrophobicContact CH2-CZ2 3.95Å; W64-W364 HydrophobicContact CH2-CZ3 4.27Å; W64-W364 AromaticContact CZ2-CH2 3.27Å; W64-W364 HydrophobicContact CZ2-CH2 3.27Å; W64-W364 AromaticContact CZ2-CZ2 3.37Å; W64-W364 HydrophobicContact CZ2-CZ2 3.37Å; W64-W364 HydrophobicContact CZ2-CZ3 4.28Å; W64-W364 HydrophobicContact CZ3-CH2 4.14Å
65	V	90.4	Very high	86.5	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	162.1	164.2	-75.7	0	0	0	0	109.9	M73 V74 R76 I78 L241 R244	V65-M73 CarbonylContact O-C 3.6Å; V65-M73 VanDerWaalsContact O-CA 3.3Å; V65-M73 WeakPolarHBondContact O-CA 3.35Å; V65-V74 PolarHBondContact N-O 3.36Å; V65-V74 PolarHBondContact O-N 3.19Å; V65-R76 HydrophobicContact CG2-CG 4.2Å; V65-I78 HydrophobicContact CB-CD1 4Å; V65-I78 HydrophobicContact CG1-CD1 3.25Å; V65-I78 HydrophobicContact CG2-CD1 3.56Å; V65-L241 HydrophobicContact CG1-CD2 3.73Å; V65-L241 HydrophobicContact CG1-CG 4.15Å; V65-R244 HydrophobicContact CG1-CB 4.27Å
66	L	88.6	Confident	86.6	Confident	10 Å²	10	64.7 Å²	64.7	5%	0.052	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.6	172.6	-170.6	79.9	0	0	0	109.8	M73 T243 Y247	L66-M73 HydrophobicContact CB-SD 4.21Å; L66-M73 HydrophobicContact CD1-SD 4.43Å; L66-T243 HydrophobicContact CD2-CG2 4.33Å; L66-Y247 HydrophobicContact CD1-CE1 4.27Å; L66-Y247 HydrophobicContact CD2-CD2 4.33Å; L66-Y247 HydrophobicContact CD2-CE1 4.04Å; L66-Y247 HydrophobicContact CD2-CE2 3.62Å; L66-Y247 VanDerWaalsContact CD2-CZ 3.45Å; L66-Y247 WeakPolarHBondContact CD2-OH 3.43Å
67	D	85.3	Confident	86.7	Confident	49 Å²	49	68 Å²	68	26%	0.262	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	114.6	159.8	-173.8	-47.4	0	0	0	108.1	S69 Q70 Q71 H72 V74	D67-S69 PolarHBondContact O-N 3.49Å; D67-S69 WeakPolarHBondContact OD1-CA 3.32Å; D67-S69 WeakPolarHBondContact OD1-CB 3.18Å; D67-S69 PolarHBondContact OD1-N 3.44Å; D67-S69 PolarHBondContact OD1-OG 2.91Å; D67-Q70 HydrophobicContact CB-CB 4.15Å; D67-Q70 HydrophobicContact CB-CG 4.47Å; D67-Q70 PolarHBondContact O-N 2.94Å; D67-Q70 PolarHBondContact OD1-N 3.3Å; D67-Q71 WeakPolarHBondContact O-CA 3.46Å; D67-Q71 PolarHBondContact O-N 3.27Å; D67-H72 PolarHBondContact N-O 3.01Å; D67-V74 HydrophobicContact CB-CG2 3.84Å
68	E	77.3	Confident	86.7	Confident	114 Å²	114	61.9 Å²	61.9	53%	0.533	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.8	-177.9	-64.1	-165.3	176.7	0	0	113.2	Q71	E68-Q71 PolarHBondContact O-NE2 2.88Å
69	S	77.9	Confident	86.8	Confident	103 Å²	103	60.3 Å²	60.3	72%	0.72	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-39.7	176.8	76.2	0	0	0	0	112.3	D67	D67-S69 PolarHBondContact O-N 3.49Å; D67-S69 WeakPolarHBondContact OD1-CA 3.32Å; D67-S69 WeakPolarHBondContact OD1-CB 3.18Å; D67-S69 PolarHBondContact OD1-N 3.44Å; D67-S69 PolarHBondContact OD1-OG 2.91Å
70	Q	73.1	Confident	86.9	Confident	113 Å²	113	57.2 Å²	57.2	53%	0.528	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-12.3	-178.1	-54	-174.5	-18.7	0	0	113.1	D67 H72	D67-Q70 HydrophobicContact CB-CB 4.15Å; D67-Q70 HydrophobicContact CB-CG 4.47Å; D67-Q70 PolarHBondContact O-N 2.94Å; D67-Q70 PolarHBondContact OD1-N 3.3Å; Q70-H72 WeakPolarHBondContact CB-NE2 3.41Å; Q70-H72 PolarHBondContact O-CD2 3.05Å; Q70-H72 PolarHBondContact O-N 2.71Å; Q70-H72 PolarHBondContact OE1-CE1 3.44Å; Q70-H72 VanDerWaalsContact OE1-CE1 3.22Å; Q70-H72 PolarHBondContact OE1-NE2 2.85Å; Q70-H72 VanDerWaalsContact OE1-NE2 3.1Å
71	Q	81.6	Confident	86.9	Confident	80 Å²	80	53.3 Å²	53.3	37%	0.374	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	25.6	179.6	-67.7	-69.8	-64.2	0	0	114.7	D67 E68	D67-Q71 WeakPolarHBondContact O-CA 3.46Å; D67-Q71 PolarHBondContact O-N 3.27Å; E68-Q71 PolarHBondContact O-NE2 2.88Å
72	H	85.1	Confident	87	Confident	23 Å²	23	51 Å²	51	11%	0.106	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	169.4	171.9	66.2	74.2	0	0	0	111.1	D67 Q70 L276 P280	D67-H72 PolarHBondContact N-O 3.01Å; Q70-H72 WeakPolarHBondContact CB-NE2 3.41Å; Q70-H72 PolarHBondContact O-CD2 3.05Å; Q70-H72 PolarHBondContact O-N 2.71Å; Q70-H72 PolarHBondContact OE1-CE1 3.44Å; Q70-H72 VanDerWaalsContact OE1-CE1 3.22Å; Q70-H72 PolarHBondContact OE1-NE2 2.85Å; Q70-H72 VanDerWaalsContact OE1-NE2 3.1Å; H72-L276 WeakPolarHBondContact CB-O 3.22Å; H72-P280 VanDerWaalsContact CD2-CA 3.42Å; H72-P280 WeakPolarHBondContact CD2-CA 3.48Å; H72-P280 VanDerWaalsContact CD2-CB 3.5Å; H72-P280 WeakPolarHBondContact CD2-CB 3.38Å; H72-P280 WeakPolarHBondContact NE2-CB 3.4Å
73	M	88.9	Confident	87.2	Confident	5 Å²	5	44.8 Å²	44.8	3%	0.025	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	142.3	176	-61.6	-71	-175	0	0	110.1	W64 V65 L66 R244 Y273 L276 F277	W64-M73 HydrophobicContact CE3-CB 3.88Å; V65-M73 CarbonylContact O-C 3.6Å; V65-M73 VanDerWaalsContact O-CA 3.3Å; V65-M73 WeakPolarHBondContact O-CA 3.35Å; L66-M73 HydrophobicContact CB-SD 4.21Å; L66-M73 HydrophobicContact CD1-SD 4.43Å; M73-R244 HydrophobicContact CE-CG 3.78Å; M73-R244 HydrophobicContact SD-CG 3.84Å; M73-Y273 HydrophobicContact CE-CD2 4.38Å; M73-Y273 HydrophobicContact CE-CE2 3.83Å; M73-L276 HydrophobicContact CE-CD1 4.12Å; M73-L276 HydrophobicContact CG-CB 3.9Å; M73-L276 PolarHBondContact N-O 2.7Å; M73-F277 HydrophobicContact CB-CD1 3.81Å; M73-F277 HydrophobicContact CB-CE1 3.97Å; M73-F277 HydrophobicContact CB-CG 4.12Å; M73-F277 HydrophobicContact CB-CZ 4.37Å; M73-F277 HydrophobicContact CE-CE2 4.1Å; M73-F277 HydrophobicContact CE-CZ 4.08Å; M73-F277 HydrophobicContact CG-CD1 3.97Å; M73-F277 HydrophobicContact CG-CD2 3.94Å; M73-F277 HydrophobicContact CG-CE1 3.82Å; M73-F277 HydrophobicContact CG-CE2 3.74Å; M73-F277 HydrophobicContact CG-CG 4.03Å; M73-F277 HydrophobicContact CG-CZ 3.69Å; M73-F277 HydrophobicContact SD-CZ 4.19Å
74	V	88	Confident	87.5	Confident	43 Å²	43	43.8 Å²	43.8	26%	0.261	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.9	175.6	178.1	0	0	0	0	108	W64 V65 D67	W64-V74 WeakPolarHBondContact CA-O 3.28Å; W64-V74 VanDerWaalsContact CE3-C 3.45Å; V65-V74 PolarHBondContact N-O 3.36Å; V65-V74 PolarHBondContact O-N 3.19Å; D67-V74 HydrophobicContact CB-CG2 3.84Å
75	N	87.4	Confident	87.6	Confident	58 Å²	58	42.2 Å²	42.2	31%	0.31	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	115.7	170.3	-175.3	46	0	0	0	108.5	Q62 M63 W64	Q62-N75 PolarHBondContact OE1-ND2 3.4Å; M63-N75 VanDerWaalsContact C-OD1 3.31Å; M63-N75 PolarHBondContact N-OD1 2.59Å; W64-N75 HydrophobicContact CD2-CB 3.78Å; W64-N75 HydrophobicContact CE3-CB 3.82Å; W64-N75 VanDerWaalsContact CE3-N 3.26Å; W64-N75 HydrophobicContact CG-CB 4.46Å; W64-N75 HydrophobicContact CH2-CB 3.86Å; W64-N75 HydrophobicContact CZ2-CB 3.84Å; W64-N75 HydrophobicContact CZ3-CB 3.86Å
76	R	90.4	Very high	87.6	Confident	81 Å²	81	42.6 Å²	42.6	31%	0.306	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	164	177.7	64.3	178.7	-172.2	86.6	-10.7	110.4	Q62 M63 V65 I78 D237 S240	Q62-R76 WeakPolarHBondContact CA-O 3.42Å; M63-R76 PolarHBondContact N-O 2.87Å; M63-R76 PolarHBondContact O-N 3.5Å; V65-R76 HydrophobicContact CG2-CG 4.2Å; R76-I78 HydrophobicContact CG-CD1 4.27Å; R76-I78 HydrophobicContact CG-CG1 3.92Å; R76-D237 IonicContact CZ-OD1 2.83Å; R76-D237 IonicContact NH1-OD1 2.65Å; R76-D237 PolarHBondContact NH1-OD1 2.95Å; R76-D237 IonicContact NH1-OD2 3.23Å; R76-D237 IonicContact NH2-OD1 2.9Å; R76-D237 PolarHBondContact NH2-OD1 3.2Å; R76-S240 PolarHBondContact NH2-OG 3.31Å
77	D	91.2	Very high	87.8	Confident	95 Å²	95	42.2 Å²	42.2	51%	0.508	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	134	166.2	-56.2	-43.1	0	0	0	108.6	T60 Q62	T60-D77 HydrophobicContact CG2-CB 4.12Å; Q62-D77 WeakPolarHBondContact CG-OD1 3.28Å; Q62-D77 PolarHBondContact NE2-OD1 2.96Å; Q62-D77 VanDerWaalsContact NE2-OD1 3.1Å
78	I	90.6	Very high	88.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127.6	-179.7	-54.1	-167.3	0	0	0	108.7	T60 Q61 M63 V65 R76 F80 D237 L241	T60-I78 WeakPolarHBondContact CA-O 3.24Å; Q61-I78 PolarHBondContact N-O 3.5Å; Q61-I78 PolarHBondContact O-N 3.21Å; M63-I78 HydrophobicContact CB-CD1 3.95Å; M63-I78 HydrophobicContact CB-CG1 4.35Å; V65-I78 HydrophobicContact CB-CD1 4Å; V65-I78 HydrophobicContact CG1-CD1 3.25Å; V65-I78 HydrophobicContact CG2-CD1 3.56Å; R76-I78 HydrophobicContact CG-CD1 4.27Å; R76-I78 HydrophobicContact CG-CG1 3.92Å; I78-F80 HydrophobicContact CG2-CD1 4.33Å; I78-D237 WeakPolarHBondContact CA-OD2 3.16Å; I78-D237 HydrophobicContact CG2-CB 3.58Å; I78-L241 HydrophobicContact CD1-CD2 4.15Å; I78-L241 HydrophobicContact CD1-CG 4.33Å; I78-L241 HydrophobicContact CG2-CD1 3.85Å; I78-L241 HydrophobicContact CG2-CG 4.09Å
79	T	92.9	Very high	88.9	Confident	49 Å²	49	34.7 Å²	34.7	30%	0.301	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	113.1	177.2	-55.4	0	0	0	0	110.2	K58 D59 T60 D237	K58-T79 HydrophobicContact CB-CG2 4.1Å; K58-T79 HydrophobicContact CD-CG2 4.28Å; D59-T79 WeakPolarHBondContact O-CA 3.22Å; T60-T79 PolarHBondContact OG1-OG1 3.26Å; T79-D237 PolarHBondContact N-OD2 2.78Å; T79-D237 WeakPolarHBondContact O-CB 3.42Å
80	F	92	Very high	89.5	Confident	8 Å²	8	30.3 Å²	30.3	4%	0.035	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	166.3	-174.4	74.3	-70.7	0	0	0	111	K58 D59 Q61 M63 I78 P82 Y85 L241	K58-F80 CarbonylContact C-O 3.58Å; K58-F80 VanDerWaalsContact CA-O 3.3Å; K58-F80 WeakPolarHBondContact CA-O 3.38Å; D59-F80 PolarHBondContact N-O 2.88Å; D59-F80 PolarHBondContact O-N 3.19Å; Q61-F80 HydrophobicContact CB-CE1 4.36Å; Q61-F80 HydrophobicContact CG-CE1 4.41Å; M63-F80 HydrophobicContact CE-CZ 4.45Å; M63-F80 HydrophobicContact SD-CD1 4.35Å; M63-F80 HydrophobicContact SD-CE1 3.46Å; M63-F80 WeakPolarHBondContact SD-CE1 3.11Å; M63-F80 HydrophobicContact SD-CZ 3.57Å; M63-F80 VanDerWaalsContact SD-CZ 3.57Å; I78-F80 HydrophobicContact CG2-CD1 4.33Å; F80-P82 HydrophobicContact CE2-CB 4.41Å; F80-P82 HydrophobicContact CE2-CG 4.29Å; F80-P82 HydrophobicContact CZ-CG 4.41Å; F80-P82 WeakPolarHBondContact O-CD 3.43Å; F80-Y85 HydrophobicContact CE2-CD1 4.48Å; F80-Y85 HydrophobicContact CE2-CG 4.3Å; F80-L241 HydrophobicContact CB-CD1 3.74Å; F80-L241 HydrophobicContact CD1-CD1 3.62Å; F80-L241 HydrophobicContact CD2-CD1 3.46Å; F80-L241 VanDerWaalsContact CD2-CD1 3.46Å; F80-L241 HydrophobicContact CE1-CD1 4.05Å; F80-L241 HydrophobicContact CE2-CD1 3.89Å; F80-L241 HydrophobicContact CG-CD1 3.31Å; F80-L241 HydrophobicContact CZ-CD1 4.17Å
81	S	92.4	Very high	90.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.			trans	-93.7	116	171.1	-177.3	0	0	0	0	110.2	T56 G83 L84 Y85 F229	T56-S81 VanDerWaalsContact C-OG 3.3Å; T56-S81 WeakPolarHBondContact CA-OG 3.31Å; T56-S81 PolarHBondContact O-OG 3.44Å; S81-G83 VanDerWaalsContact C-N 3.27Å; S81-G83 PolarHBondContact O-N 3.33Å; S81-L84 WeakPolarHBondContact O-CB 3.29Å; S81-L84 PolarHBondContact O-N 3.38Å; S81-L84 VanDerWaalsContact O-N 3.09Å; S81-Y85 PolarHBondContact O-N 2.77Å; S81-Y85 VanDerWaalsContact O-N 3.13Å; S81-F229 VanDerWaalsContact OG-CD1 3.3Å; S81-F229 WeakPolarHBondContact OG-CD1 3.41Å
82	P	90.1	Very high	91	Very high	26 Å²	26	21.3 Å²	21.3	17%	0.169	11%	0.109	C	C	.	.	H	α-helix	trans	-55.2	-40.6	179	-28.9	36.5	0	0	0	113.3	S55 L57 D59 F80 L84 Y85 K86	S55-P82 WeakPolarHBondContact O-CD 3.33Å; L57-P82 WeakPolarHBondContact O-CD 3.43Å; D59-P82 HydrophobicContact CB-CG 4.34Å; F80-P82 HydrophobicContact CE2-CB 4.41Å; F80-P82 HydrophobicContact CE2-CG 4.29Å; F80-P82 HydrophobicContact CZ-CG 4.41Å; F80-P82 WeakPolarHBondContact O-CD 3.43Å; P82-L84 VanDerWaalsContact C-N 3.34Å; P82-L84 PolarHBondContact O-N 3.47Å; P82-Y85 PolarHBondContact O-N 2.79Å; P82-K86 WeakPolarHBondContact O-CB 3.49Å; P82-K86 PolarHBondContact O-N 2.97Å
83	G	91	Very high	91.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.6	-39.4	176.1	0	0	0	0	0	113.7	I53 S55 S81 K86 I87 F229	I53-G83 WeakPolarHBondContact O-CA 3.46Å; S55-G83 PolarHBondContact O-N 2.82Å; S81-G83 VanDerWaalsContact C-N 3.27Å; S81-G83 PolarHBondContact O-N 3.33Å; G83-K86 PolarHBondContact O-N 2.87Å; G83-I87 PolarHBondContact O-N 2.92Å; G83-I87 VanDerWaalsContact O-N 3.11Å; G83-F229 VanDerWaalsContact C-CE1 3.49Å
84	L	94	Very high	91.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.3	-42.1	177.5	179	55.2	0	0	0	111.4	S81 P82 K86 I87 F88 P224 L226 F229 M231 L234 T238 F242	S81-L84 WeakPolarHBondContact O-CB 3.29Å; S81-L84 PolarHBondContact O-N 3.38Å; S81-L84 VanDerWaalsContact O-N 3.09Å; P82-L84 VanDerWaalsContact C-N 3.34Å; P82-L84 PolarHBondContact O-N 3.47Å; L84-K86 VanDerWaalsContact C-N 3.32Å; L84-K86 PolarHBondContact O-N 3.46Å; L84-I87 HydrophobicContact CD1-CD1 4.1Å; L84-I87 HydrophobicContact CD1-CG1 4.33Å; L84-I87 VanDerWaalsContact O-CG1 3.23Å; L84-I87 WeakPolarHBondContact O-CG1 3.49Å; L84-F88 PolarHBondContact O-N 2.84Å; L84-P224 HydrophobicContact CD1-CB 3.61Å; L84-P224 HydrophobicContact CD1-CG 3.78Å; L84-L226 HydrophobicContact CD1-CD2 4.44Å; L84-L226 HydrophobicContact CD2-CD2 3.8Å; L84-F229 HydrophobicContact CB-CD1 3.91Å; L84-F229 HydrophobicContact CB-CD2 4.19Å; L84-F229 HydrophobicContact CB-CE1 4Å; L84-F229 HydrophobicContact CB-CE2 4.28Å; L84-F229 HydrophobicContact CB-CG 3.99Å; L84-F229 HydrophobicContact CB-CZ 4.17Å; L84-F229 HydrophobicContact CD1-CD2 4.1Å; L84-F229 HydrophobicContact CD1-CE2 3.92Å; L84-F229 HydrophobicContact CD1-CZ 4.4Å; L84-F229 VanDerWaalsContact N-CE1 3.29Å; L84-M231 HydrophobicContact CD2-CE 3.99Å; L84-M231 HydrophobicContact CD2-SD 3.52Å; L84-M231 VanDerWaalsContact CD2-SD 3.52Å; L84-L234 HydrophobicContact CD2-CD2 4.15Å; L84-T238 HydrophobicContact CD2-CG2 3.91Å; L84-T238 HydrophobicContact CG-CG2 4.26Å; L84-F242 HydrophobicContact CD1-CZ 4.48Å; L84-F242 HydrophobicContact CG-CZ 4.2Å
85	Y	92.2	Very high	91.5	Very high	27 Å²	27	21.4 Å²	21.4	11%	0.106	11%	0.109	C	C	.	.	H	α-helix	trans	-62.4	-39.5	172.7	177.3	-105.4	0	0	0	112	F80 S81 P82 F88 D89 L241 F242 R244 R245	F80-Y85 HydrophobicContact CE2-CD1 4.48Å; F80-Y85 HydrophobicContact CE2-CG 4.3Å; S81-Y85 PolarHBondContact O-N 2.77Å; S81-Y85 VanDerWaalsContact O-N 3.13Å; P82-Y85 PolarHBondContact O-N 2.79Å; Y85-F88 PolarHBondContact O-N 2.97Å; Y85-D89 WeakPolarHBondContact O-CB 3.2Å; Y85-D89 PolarHBondContact O-N 3.17Å; Y85-L241 HydrophobicContact CD2-CB 4.08Å; Y85-L241 HydrophobicContact CE2-CB 4.17Å; Y85-F242 HydrophobicContact CD2-CD1 4.17Å; Y85-F242 HydrophobicContact CD2-CE1 4.27Å; Y85-R244 PolarHBondContact OH-NH2 3.19Å; Y85-R245 HydrophobicContact CE2-CB 4.14Å; Y85-R245 HydrophobicContact CE2-CG 4.38Å; Y85-R245 WeakPolarHBondContact OH-CD 3.08Å
86	K	89.9	Confident	91.6	Very high	11 Å²	11	18.9 Å²	18.9	5%	0.048	10%	0.096	C	C	.	.	H	α-helix	trans	-70.9	-35.3	-177.4	-170.1	63.3	-161.1	163.5	0	113.8	I53 P82 G83 L84 F88 D89 E90 T380	I53-K86 HydrophobicContact CB-CB 4.36Å; I53-K86 VanDerWaalsContact O-CB 3.22Å; I53-K86 WeakPolarHBondContact O-CB 3.22Å; P82-K86 WeakPolarHBondContact O-CB 3.49Å; P82-K86 PolarHBondContact O-N 2.97Å; G83-K86 PolarHBondContact O-N 2.87Å; L84-K86 VanDerWaalsContact C-N 3.32Å; L84-K86 PolarHBondContact O-N 3.46Å; K86-F88 VanDerWaalsContact C-N 3.31Å; K86-F88 PolarHBondContact O-N 3.16Å; K86-D89 IonicContact NZ-OD2 2.74Å; K86-D89 PolarHBondContact NZ-OD2 3.34Å; K86-D89 PolarHBondContact O-N 3.37Å; K86-E90 WeakPolarHBondContact CE-OE1 3.18Å; K86-E90 IonicContact NZ-OE1 3.17Å; K86-E90 PolarHBondContact NZ-OE1 2.69Å; K86-E90 PolarHBondContact O-N 3.28Å; K86-T380 WeakPolarHBondContact CE-O 3.25Å; K86-T380 PolarHBondContact NZ-O 3.1Å
87	I	92.7	Very high	91.6	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-69.2	-28.8	175	61.3	165	0	0	0	113.3	I53 G83 L84 L172 C173 F176 F222 F229	I53-I87 HydrophobicContact CB-CG2 4.45Å; I53-I87 HydrophobicContact CD1-CG2 4.37Å; I53-I87 HydrophobicContact CG2-CG2 3.75Å; G83-I87 PolarHBondContact O-N 2.92Å; G83-I87 VanDerWaalsContact O-N 3.11Å; L84-I87 HydrophobicContact CD1-CD1 4.1Å; L84-I87 HydrophobicContact CD1-CG1 4.33Å; L84-I87 VanDerWaalsContact O-CG1 3.23Å; L84-I87 WeakPolarHBondContact O-CG1 3.49Å; I87-L172 HydrophobicContact CG2-CB 4.49Å; I87-C173 HydrophobicContact CB-CB 3.98Å; I87-C173 PolarHBondContact O-SG 3.04Å; I87-F176 HydrophobicContact CD1-CB 3.98Å; I87-F176 HydrophobicContact CG2-CB 4.28Å; I87-F222 HydrophobicContact CD1-CE2 4.34Å; I87-F229 HydrophobicContact CD1-CE2 4.06Å; I87-F229 HydrophobicContact CD1-CZ 3.89Å; I87-F229 HydrophobicContact CG1-CZ 4.46Å
88	F	94.2	Very high	91.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-71.8	-47.8	171.3	169.5	-108.1	0	0	0	111.4	L84 Y85 K86 E90 I91 L92 I110 V119 I121 F222 F242 R245	L84-F88 PolarHBondContact O-N 2.84Å; Y85-F88 PolarHBondContact O-N 2.97Å; K86-F88 VanDerWaalsContact C-N 3.31Å; K86-F88 PolarHBondContact O-N 3.16Å; F88-E90 PolarHBondContact O-N 3.46Å; F88-I91 PolarHBondContact O-N 3.47Å; F88-I91 VanDerWaalsContact O-N 3.13Å; F88-L92 HydrophobicContact CD1-CD1 4.1Å; F88-L92 HydrophobicContact CE1-CD1 3.43Å; F88-L92 VanDerWaalsContact CE1-CD1 3.43Å; F88-L92 HydrophobicContact CE1-CG 4.32Å; F88-L92 HydrophobicContact CE2-CD1 4.17Å; F88-L92 HydrophobicContact CE2-CG 4.29Å; F88-L92 HydrophobicContact CZ-CD1 3.5Å; F88-L92 HydrophobicContact CZ-CG 4.12Å; F88-L92 PolarHBondContact O-N 3.36Å; F88-L92 VanDerWaalsContact O-N 3.13Å; F88-I110 HydrophobicContact CE2-CG2 4.12Å; F88-I110 HydrophobicContact CZ-CG2 4.17Å; F88-V119 HydrophobicContact CD2-CG1 3.81Å; F88-V119 HydrophobicContact CE2-CG1 3.77Å; F88-I121 HydrophobicContact CD2-CD1 3.98Å; F88-I121 HydrophobicContact CE2-CD1 3.92Å; F88-I121 HydrophobicContact CE2-CG1 4.48Å; F88-F222 HydrophobicContact CB-CZ 4.19Å; F88-F222 HydrophobicContact CD2-CZ 4.12Å; F88-F242 HydrophobicContact CB-CD1 4.48Å; F88-F242 HydrophobicContact CB-CE1 3.98Å; F88-F242 HydrophobicContact CB-CE2 4.23Å; F88-F242 HydrophobicContact CB-CZ 3.83Å; F88-F242 HydrophobicContact CD1-CB 4.23Å; F88-F242 AromaticContact CD1-CD1 3.54Å; F88-F242 HydrophobicContact CD1-CD1 3.54Å; F88-F242 HydrophobicContact CD1-CD2 4.2Å; F88-F242 AromaticContact CD1-CE1 3.9Å; F88-F242 HydrophobicContact CD1-CE1 3.9Å; F88-F242 HydrophobicContact CD1-CE2 4.5Å; F88-F242 AromaticContact CD1-CG 3.71Å; F88-F242 HydrophobicContact CD1-CG 3.71Å; F88-F242 HydrophobicContact CD1-CZ 4.35Å; F88-F242 HydrophobicContact CD2-CD2 4.04Å; F88-F242 HydrophobicContact CD2-CE2 4.16Å; F88-F242 HydrophobicContact CD2-CG 4.34Å; F88-F242 HydrophobicContact CE1-CB 3.62Å; F88-F242 AromaticContact CE1-CD1 3.84Å; F88-F242 HydrophobicContact CE1-CD1 3.84Å; F88-F242 HydrophobicContact CE1-CD2 4.25Å; F88-F242 AromaticContact CE1-CG 3.63Å; F88-F242 HydrophobicContact CE1-CG 3.63Å; F88-F242 HydrophobicContact CE2-CB 4.42Å; F88-F242 HydrophobicContact CE2-CD2 4.08Å; F88-F242 HydrophobicContact CE2-CG 4.26Å; F88-F242 HydrophobicContact CG-CD1 4.04Å; F88-F242 HydrophobicContact CG-CD2 4.07Å; F88-F242 HydrophobicContact CG-CE1 4.02Å; F88-F242 HydrophobicContact CG-CE2 4.06Å; F88-F242 HydrophobicContact CG-CG 4.06Å; F88-F242 HydrophobicContact CG-CZ 4.02Å; F88-F242 HydrophobicContact CZ-CB 3.71Å; F88-F242 HydrophobicContact CZ-CD2 4.17Å; F88-F242 AromaticContact CZ-CG 3.9Å; F88-F242 HydrophobicContact CZ-CG 3.9Å; F88-R245 HydrophobicContact CE1-CB 4.1Å; F88-R245 HydrophobicContact CE1-CG 4.28Å
89	D	91.8	Very high	91.6	Very high	6 Å²	6	14.2 Å²	14.2	3%	0.032	8%	0.075	C	C	.	.	H	α-helix	trans	-56.9	-44.3	177.5	176.5	63.7	0	0	0	112.9	Y85 K86 I91 L92 V93 R245	Y85-D89 WeakPolarHBondContact O-CB 3.2Å; Y85-D89 PolarHBondContact O-N 3.17Å; K86-D89 IonicContact NZ-OD2 2.74Å; K86-D89 PolarHBondContact NZ-OD2 3.34Å; K86-D89 PolarHBondContact O-N 3.37Å; D89-I91 VanDerWaalsContact C-N 3.27Å; D89-I91 PolarHBondContact O-N 3.33Å; D89-L92 PolarHBondContact O-N 2.99Å; D89-V93 WeakPolarHBondContact O-CG2 3.48Å; D89-V93 PolarHBondContact O-N 2.85Å; D89-R245 IonicContact OD1-CZ 2.67Å; D89-R245 IonicContact OD1-NE 3.86Å; D89-R245 PolarHBondContact OD1-NE 3.25Å; D89-R245 IonicContact OD1-NH2 2.79Å; D89-R245 PolarHBondContact OD1-NH2 2.86Å
90	E	90.3	Very high	91.3	Very high	10 Å²	10	15.1 Å²	15.1	5%	0.047	8%	0.08	C	C	.	.	H	α-helix	trans	-64.8	-28	178.7	-70	-71.7	123.1	0	0	112.8	K86 F88 N94 G169 K381	K86-E90 WeakPolarHBondContact CE-OE1 3.18Å; K86-E90 IonicContact NZ-OE1 3.17Å; K86-E90 PolarHBondContact NZ-OE1 2.69Å; K86-E90 PolarHBondContact O-N 3.28Å; F88-E90 PolarHBondContact O-N 3.46Å; E90-N94 PolarHBondContact O-N 2.77Å; E90-N94 PolarHBondContact O-ND2 2.94Å; E90-G169 WeakPolarHBondContact OE2-CA 3.42Å; E90-K381 VanDerWaalsContact CD-NZ 3.25Å; E90-K381 WeakPolarHBondContact OE1-CE 3.27Å; E90-K381 IonicContact OE1-NZ 3.63Å; E90-K381 PolarHBondContact OE1-NZ 2.73Å; E90-K381 IonicContact OE2-NZ 2.78Å; E90-K381 PolarHBondContact OE2-NZ 3.04Å
91	I	93.4	Very high	91	Very high	5 Å²	5	20.6 Å²	20.6	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-74.8	-40.5	172.8	-58.4	-58.3	0	0	0	111.1	F88 D89 N94 A95 I121 A170 C173 F180 I220 F222	F88-I91 PolarHBondContact O-N 3.47Å; F88-I91 VanDerWaalsContact O-N 3.13Å; D89-I91 VanDerWaalsContact C-N 3.27Å; D89-I91 PolarHBondContact O-N 3.33Å; I91-N94 PolarHBondContact O-N 2.8Å; I91-A95 PolarHBondContact O-N 3.32Å; I91-A95 VanDerWaalsContact O-N 3.08Å; I91-I121 HydrophobicContact CB-CD1 3.79Å; I91-I121 HydrophobicContact CG2-CB 3.96Å; I91-I121 HydrophobicContact CG2-CD1 3.52Å; I91-I121 HydrophobicContact CG2-CG1 4.32Å; I91-I121 HydrophobicContact CG2-CG2 4.18Å; I91-A170 HydrophobicContact CD1-CB 4.08Å; I91-C173 HydrophobicContact CD1-CB 3.88Å; I91-C173 HydrophobicContact CG1-CB 3.91Å; I91-F180 HydrophobicContact CD1-CE2 4.34Å; I91-F180 HydrophobicContact CD1-CZ 4.32Å; I91-I220 HydrophobicContact CD1-CG2 4.22Å; I91-I220 HydrophobicContact CG1-CG2 4.43Å; I91-I220 HydrophobicContact CG2-CB 3.92Å; I91-I220 HydrophobicContact CG2-CG1 4.14Å; I91-I220 HydrophobicContact CG2-CG2 4.02Å; I91-F222 HydrophobicContact CG1-CE1 4.48Å
92	L	92.5	Very high	90.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-42.2	173.8	-72.3	-178	0	0	0	112.6	F88 D89 N94 A95 A96 I110 I121 R245 M249	F88-L92 HydrophobicContact CD1-CD1 4.1Å; F88-L92 HydrophobicContact CE1-CD1 3.43Å; F88-L92 VanDerWaalsContact CE1-CD1 3.43Å; F88-L92 HydrophobicContact CE1-CG 4.32Å; F88-L92 HydrophobicContact CE2-CD1 4.17Å; F88-L92 HydrophobicContact CE2-CG 4.29Å; F88-L92 HydrophobicContact CZ-CD1 3.5Å; F88-L92 HydrophobicContact CZ-CG 4.12Å; F88-L92 PolarHBondContact O-N 3.36Å; F88-L92 VanDerWaalsContact O-N 3.13Å; D89-L92 PolarHBondContact O-N 2.99Å; L92-N94 VanDerWaalsContact C-N 3.33Å; L92-N94 PolarHBondContact O-N 2.99Å; L92-A95 WeakPolarHBondContact O-CB 3.34Å; L92-A95 PolarHBondContact O-N 2.91Å; L92-A96 PolarHBondContact O-N 2.82Å; L92-I110 HydrophobicContact CD2-CD1 3.49Å; L92-I110 VanDerWaalsContact CD2-CD1 3.49Å; L92-I110 HydrophobicContact CD2-CG1 3.79Å; L92-I121 HydrophobicContact CD2-CD1 3.62Å; L92-I121 HydrophobicContact CD2-CG1 3.92Å; L92-I121 HydrophobicContact CD2-CG2 4.11Å; L92-I121 HydrophobicContact CG-CD1 3.85Å; L92-R245 HydrophobicContact CD1-CB 4.36Å; L92-R245 HydrophobicContact CD1-CG 3.68Å; L92-M249 HydrophobicContact CB-CG 4.38Å; L92-M249 HydrophobicContact CB-SD 4.04Å; L92-M249 HydrophobicContact CD1-CG 4.23Å
93	V	90.4	Very high	90.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-64.9	-36.5	177.3	171.9	0	0	0	0	111.3	D89 A96 D97 I319	D89-V93 WeakPolarHBondContact O-CG2 3.48Å; D89-V93 PolarHBondContact O-N 2.85Å; V93-A96 PolarHBondContact O-N 2.91Å; V93-D97 WeakPolarHBondContact O-CB 3.24Å; V93-D97 PolarHBondContact O-N 3.46Å; V93-I319 HydrophobicContact CG1-CG1 4.29Å; V93-I319 HydrophobicContact CG2-CG1 4.32Å
94	N	90.1	Very high	90.7	Very high	68 Å²	68	29.9 Å²	29.9	36%	0.364	16%	0.159	S	C	.	.	H	α-helix	trans	-65.8	-36.5	172.7	-76.1	-57.4	0	0	0	112.5	E90 I91 L92 N98	E90-N94 PolarHBondContact O-N 2.77Å; E90-N94 PolarHBondContact O-ND2 2.94Å; I91-N94 PolarHBondContact O-N 2.8Å; L92-N94 VanDerWaalsContact C-N 3.33Å; L92-N94 PolarHBondContact O-N 2.99Å; N94-N98 PolarHBondContact O-N 2.94Å
95	A	92.1	Very high	90.6	Very high	3 Å²	3	30 Å²	30	3%	0.025	16%	0.159	C	C	.	.	H	α-helix	trans	-66.9	-41.1	172.9	0	0	0	0	0	111.7	I91 L92 N98 M105 I108 I121 N123	I91-A95 PolarHBondContact O-N 3.32Å; I91-A95 VanDerWaalsContact O-N 3.08Å; L92-A95 WeakPolarHBondContact O-CB 3.34Å; L92-A95 PolarHBondContact O-N 2.91Å; A95-N98 WeakPolarHBondContact O-CB 3.28Å; A95-N98 PolarHBondContact O-N 3.04Å; A95-M105 WeakPolarHBondContact O-CE 3Å; A95-I108 HydrophobicContact CB-CD1 4.31Å; A95-I121 HydrophobicContact CB-CG2 4.14Å; A95-N123 HydrophobicContact CB-CB 4.28Å
96	A	90.3	Very high	90.6	Very high	5 Å²	5	30.6 Å²	30.6	4%	0.041	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-40.8	174.7	0	0	0	0	0	112.7	L92 V93 N98 K99 M249	L92-A96 PolarHBondContact O-N 2.82Å; V93-A96 PolarHBondContact O-N 2.91Å; A96-N98 PolarHBondContact O-N 2.9Å; A96-K99 VanDerWaalsContact O-CB 3.31Å; A96-K99 WeakPolarHBondContact O-CB 3.32Å; A96-K99 PolarHBondContact O-N 3.3Å; A96-M249 HydrophobicContact CB-SD 4.01Å
97	D	89.6	Confident	90.8	Very high	15 Å²	15	30.8 Å²	30.8	8%	0.08	17%	0.17	C	C	.	.	H	α-helix	trans	-61.2	-28.2	175.3	-83	-11.1	0	0	0	112.2	V93 K99 V100 R101 T162 G163 G164	V93-D97 WeakPolarHBondContact O-CB 3.24Å; V93-D97 PolarHBondContact O-N 3.46Å; D97-K99 PolarHBondContact O-N 3.07Å; D97-V100 WeakPolarHBondContact O-CB 3.42Å; D97-V100 PolarHBondContact O-N 2.62Å; D97-R101 PolarHBondContact O-N 2.76Å; D97-T162 HydrophobicContact CB-CG2 4.22Å; D97-T162 WeakPolarHBondContact OD1-CA 3.42Å; D97-T162 VanDerWaalsContact OD1-CB 3.3Å; D97-T162 WeakPolarHBondContact OD1-CB 3.35Å; D97-G163 PolarHBondContact OD1-N 2.71Å; D97-G163 PolarHBondContact OD2-N 2.88Å; D97-G164 PolarHBondContact OD2-N 2.88Å
98	N	90.9	Very high	91	Very high	12 Å²	12	30.7 Å²	30.7	6%	0.064	17%	0.169	C	C	.	.	H	α-helix	trans	-65.3	-21.3	175.9	-154.5	52.9	0	0	0	112.9	N94 A95 A96 R101 D102 M105 N123 D124 K126	N94-N98 PolarHBondContact O-N 2.94Å; A95-N98 WeakPolarHBondContact O-CB 3.28Å; A95-N98 PolarHBondContact O-N 3.04Å; A96-N98 PolarHBondContact O-N 2.9Å; N98-R101 PolarHBondContact O-N 2.82Å; N98-R101 PolarHBondContact OD1-NH1 3.37Å; N98-D102 WeakPolarHBondContact O-CA 3.1Å; N98-D102 PolarHBondContact O-N 2.91Å; N98-M105 VanDerWaalsContact C-SD 3.55Å; N98-M105 HydrophobicContact CB-SD 3.81Å; N98-N123 PolarHBondContact ND2-ND2 2.9Å; N98-D124 PolarHBondContact ND2-O 2.92Å; N98-K126 PolarHBondContact ND2-O 2.99Å; N98-K126 VanDerWaalsContact ND2-O 3.14Å; N98-K126 PolarHBondContact OD1-O 2.95Å
99	K	90.3	Very high	91.1	Very high	51 Å²	51	34.4 Å²	34.4	22%	0.222	19%	0.186	C	C	.	.	H	α-helix	trans	-73.3	-27	171.9	-179	61.1	174.9	178.7	0	113	A96 D97 D102 P103 M105 I256	A96-K99 VanDerWaalsContact O-CB 3.31Å; A96-K99 WeakPolarHBondContact O-CB 3.32Å; A96-K99 PolarHBondContact O-N 3.3Å; D97-K99 PolarHBondContact O-N 3.07Å; K99-D102 CarbonylContact O-C 3.52Å; K99-P103 PolarHBondContact NZ-O 2.67Å; K99-M105 HydrophobicContact CB-SD 3.89Å; K99-M105 HydrophobicContact CD-CB 3.95Å; K99-M105 HydrophobicContact CD-CG 4.48Å; K99-M105 WeakPolarHBondContact CD-O 3.34Å; K99-M105 PolarHBondContact N-SD 3.09Å; K99-M105 PolarHBondContact NZ-O 3.24Å; K99-I256 HydrophobicContact CB-CD1 3.81Å; K99-I256 HydrophobicContact CD-CD1 4.07Å; K99-I256 HydrophobicContact CD-CG1 4.12Å; K99-I256 HydrophobicContact CG-CD1 3.83Å; K99-I256 HydrophobicContact CG-CG1 4.24Å
100	V	86.4	Confident	91.3	Very high	69 Å²	69	34.1 Å²	34.1	42%	0.418	18%	0.184	S	C	.	.	H	α-helix	trans	-77.5	-40.6	173.6	-174.9	0	0	0	0	109.7	D97 V161 T162	D97-V100 WeakPolarHBondContact O-CB 3.42Å; D97-V100 PolarHBondContact O-N 2.62Å; V100-V161 HydrophobicContact CG1-CG2 3.85Å; V100-T162 HydrophobicContact CB-CG2 4.19Å; V100-T162 HydrophobicContact CG1-CG2 4.13Å
101	R	86.1	Confident	91.6	Very high	123 Å²	123	35 Å²	35	46%	0.464	19%	0.189	S	C	.	.	H	α-helix	trans	-69.4	-34.6	175.1	176.2	175.3	168.1	-107.5	-0.9	113.5	D97 N98 K126 G127	D97-R101 PolarHBondContact O-N 2.76Å; N98-R101 PolarHBondContact O-N 2.82Å; N98-R101 PolarHBondContact OD1-NH1 3.37Å; R101-K126 PolarHBondContact NH1-O 3.08Å; R101-G127 PolarHBondContact NH1-O 3.16Å; R101-G127 PolarHBondContact NH2-O 3.09Å
102	D	89.2	Confident	91.7	Very high	12 Å²	12	35 Å²	35	6%	0.064	19%	0.189	C	C	.	.			trans	-137.2	98.7	177.9	178.8	8.6	0	0	0	111	N98 K99 T104 M105 G125 K126	N98-D102 WeakPolarHBondContact O-CA 3.1Å; N98-D102 PolarHBondContact O-N 2.91Å; K99-D102 CarbonylContact O-C 3.52Å; D102-T104 VanDerWaalsContact CG-OG1 3.22Å; D102-T104 PolarHBondContact O-N 2.9Å; D102-T104 WeakPolarHBondContact OD1-CB 3.42Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.42Å; D102-T104 PolarHBondContact OD1-N 3.11Å; D102-T104 PolarHBondContact OD1-OG1 2.68Å; D102-T104 PolarHBondContact OD2-OG1 2.92Å; D102-T104 VanDerWaalsContact OD2-OG1 3.07Å; D102-M105 VanDerWaalsContact O-CB 3.3Å; D102-M105 WeakPolarHBondContact O-CB 3.18Å; D102-M105 PolarHBondContact O-N 2.97Å; D102-M105 VanDerWaalsContact O-N 3.17Å; D102-G125 WeakPolarHBondContact OD2-CA 3.43Å; D102-K126 HydrophobicContact CB-CB 4.2Å; D102-K126 HydrophobicContact CB-CG 4.24Å; D102-K126 PolarHBondContact OD2-N 3.21Å
103	P	88	Confident	91.8	Very high	99 Å²	99	37.3 Å²	37.3	64%	0.643	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-15.3	175.8	-27.3	36.6	0	0	0	115.2	K99	K99-P103 PolarHBondContact NZ-O 2.67Å
104	T	89.9	Confident	91.8	Very high	110 Å²	110	39.6 Å²	39.6	68%	0.675	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-18.2	178.7	74.1	0	0	0	0	113.7	D102 S106	D102-T104 VanDerWaalsContact CG-OG1 3.22Å; D102-T104 PolarHBondContact O-N 2.9Å; D102-T104 WeakPolarHBondContact OD1-CB 3.42Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.42Å; D102-T104 PolarHBondContact OD1-N 3.11Å; D102-T104 PolarHBondContact OD1-OG1 2.68Å; D102-T104 PolarHBondContact OD2-OG1 2.92Å; D102-T104 VanDerWaalsContact OD2-OG1 3.07Å; T104-S106 PolarHBondContact O-N 3.22Å
105	M	92.6	Very high	91.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	24%	0.236	C	C	.	.			trans	-49.5	131.4	174.1	179.8	179.7	169.8	0	0	111.9	A95 N98 K99 D102 I108 N123 D124 I256	A95-M105 WeakPolarHBondContact O-CE 3Å; N98-M105 VanDerWaalsContact C-SD 3.55Å; N98-M105 HydrophobicContact CB-SD 3.81Å; K99-M105 HydrophobicContact CB-SD 3.89Å; K99-M105 HydrophobicContact CD-CB 3.95Å; K99-M105 HydrophobicContact CD-CG 4.48Å; K99-M105 WeakPolarHBondContact CD-O 3.34Å; K99-M105 PolarHBondContact N-SD 3.09Å; K99-M105 PolarHBondContact NZ-O 3.24Å; D102-M105 VanDerWaalsContact O-CB 3.3Å; D102-M105 WeakPolarHBondContact O-CB 3.18Å; D102-M105 PolarHBondContact O-N 2.97Å; D102-M105 VanDerWaalsContact O-N 3.17Å; M105-I108 HydrophobicContact CE-CD1 3.71Å; M105-I108 HydrophobicContact CE-CG1 3.36Å; M105-N123 HydrophobicContact CE-CB 3.57Å; M105-D124 WeakPolarHBondContact CG-O 3.27Å; M105-D124 WeakPolarHBondContact CG-OD1 3.29Å; M105-I256 HydrophobicContact CE-CD1 3.93Å; M105-I256 HydrophobicContact SD-CD1 4.41Å
106	S	92.7	Very high	91.8	Very high	41 Å²	41	46 Å²	46	29%	0.287	26%	0.259	S	S	.	.			trans	-130.6	-12.8	-168.2	88.2	0	0	0	0	114.8	T104 D124 K257	T104-S106 PolarHBondContact O-N 3.22Å; S106-D124 WeakPolarHBondContact CA-OD2 3.2Å; S106-D124 WeakPolarHBondContact CB-OD2 3.33Å; S106-D124 VanDerWaalsContact N-CG 3.3Å; S106-D124 PolarHBondContact N-OD1 2.92Å; S106-D124 PolarHBondContact N-OD2 3.3Å; S106-D124 VanDerWaalsContact N-OD2 3.13Å; S106-D124 PolarHBondContact OG-OD2 3.48Å; S106-K257 PolarHBondContact O-N 3.2Å
107	C	94.2	Very high	92	Very high	14 Å²	14	47.7 Å²	47.7	10%	0.095	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	128.8	-164.3	-168.6	0	0	0	0	112.8	W122 N123 D124 K257	C107-W122 HydrophobicContact CB-CZ3 4.13Å; C107-N123 WeakPolarHBondContact O-CA 3.39Å; C107-D124 WeakPolarHBondContact CB-OD2 3.34Å; C107-D124 VanDerWaalsContact N-CG 3.32Å; C107-D124 PolarHBondContact N-OD1 2.81Å; C107-D124 PolarHBondContact N-OD2 2.77Å; C107-D124 PolarHBondContact O-N 3.08Å; C107-D124 VanDerWaalsContact O-OD1 3.12Å; C107-K257 WeakPolarHBondContact CA-O 3.01Å
108	I	95.4	Very high	92.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	136.7	165.6	-64.6	171.3	0	0	0	107.6	A95 M105 I110 W122 N123 I256 K257 V258 F259	A95-I108 HydrophobicContact CB-CD1 4.31Å; M105-I108 HydrophobicContact CE-CD1 3.71Å; M105-I108 HydrophobicContact CE-CG1 3.36Å; I108-I110 HydrophobicContact CG2-CD1 4.29Å; I108-I110 HydrophobicContact CG2-CG1 3.94Å; I108-W122 CarbonylContact C-O 3.54Å; I108-W122 WeakPolarHBondContact CA-O 3.2Å; I108-N123 HydrophobicContact CG1-CB 4.31Å; I108-I256 HydrophobicContact CB-CG2 4.28Å; I108-I256 HydrophobicContact CD1-CD1 4.08Å; I108-I256 HydrophobicContact CD1-CG2 4.14Å; I108-I256 HydrophobicContact CG1-CG2 3.9Å; I108-K257 PolarHBondContact N-O 3.21Å; I108-V258 HydrophobicContact CB-CG2 4.48Å; I108-V258 CarbonylContact O-C 3.58Å; I108-V258 WeakPolarHBondContact O-CA 3.28Å; I108-F259 PolarHBondContact O-N 2.93Å
109	K	96.7	Very high	92.5	Very high	78 Å²	78	47.3 Å²	47.3	34%	0.339	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.1	173.2	-54.2	167.8	-171.5	149.1	0	108.4	I121 W122 F259	K109-I121 WeakPolarHBondContact O-CA 3.38Å; K109-W122 HydrophobicContact CB-CB 4.31Å; K109-W122 HydrophobicContact CB-CE3 4.32Å; K109-W122 HydrophobicContact CD-CD2 4.07Å; K109-W122 HydrophobicContact CD-CE3 3.54Å; K109-W122 HydrophobicContact CD-CZ3 3.99Å; K109-W122 HydrophobicContact CG-CE3 3.8Å; K109-W122 HydrophobicContact CG-CZ3 4.32Å; K109-W122 PolarHBondContact N-O 3.47Å; K109-W122 VanDerWaalsContact NZ-CH2 3.35Å; K109-W122 PolarHBondContact O-N 3.11Å; K109-F259 WeakPolarHBondContact CA-O 3.14Å; K109-F259 HydrophobicContact CB-CB 4.45Å; K109-F259 HydrophobicContact CG-CB 4.2Å; K109-F259 HydrophobicContact CG-CD2 4.33Å; K109-F259 HydrophobicContact CG-CG 4.49Å
110	I	96.7	Very high	92.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	113.9	-178	-56.3	166.5	0	0	0	105.7	F88 L92 I108 I112 R120 I121 A246 V258 F259 L260 N261	F88-I110 HydrophobicContact CE2-CG2 4.12Å; F88-I110 HydrophobicContact CZ-CG2 4.17Å; L92-I110 HydrophobicContact CD2-CD1 3.49Å; L92-I110 VanDerWaalsContact CD2-CD1 3.49Å; L92-I110 HydrophobicContact CD2-CG1 3.79Å; I108-I110 HydrophobicContact CG2-CD1 4.29Å; I108-I110 HydrophobicContact CG2-CG1 3.94Å; I110-I112 HydrophobicContact CG2-CD1 4.4Å; I110-I112 HydrophobicContact CG2-CG1 4.16Å; I110-R120 WeakPolarHBondContact CA-O 3.11Å; I110-I121 HydrophobicContact CG2-CG1 4.42Å; I110-A246 HydrophobicContact CD1-CB 3.52Å; I110-V258 HydrophobicContact CD1-CG1 3.96Å; I110-F259 PolarHBondContact N-O 3.47Å; I110-L260 HydrophobicContact CB-CD1 4.14Å; I110-L260 HydrophobicContact CG2-CD1 4.01Å; I110-L260 CarbonylContact O-C 3.58Å; I110-L260 VanDerWaalsContact O-CA 3.27Å; I110-L260 WeakPolarHBondContact O-CA 3.35Å; I110-N261 PolarHBondContact O-N 2.91Å
111	D	96.6	Very high	93.4	Very high	27 Å²	27	46.7 Å²	46.7	14%	0.144	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.6	175.4	-51.5	-62.7	0	0	0	108.8	V119 R120 N261	D111-V119 CarbonylContact O-C 3.54Å; D111-V119 WeakPolarHBondContact O-CA 3.31Å; D111-R120 HydrophobicContact CB-CB 4.31Å; D111-R120 PolarHBondContact N-O 2.93Å; D111-R120 PolarHBondContact O-N 3.44Å; D111-R120 IonicContact OD2-CZ 3.22Å; D111-R120 IonicContact OD2-NE 2.71Å; D111-R120 PolarHBondContact OD2-NE 3.16Å; D111-R120 IonicContact OD2-NH2 2.68Å; D111-R120 PolarHBondContact OD2-NH2 3.03Å; D111-N261 WeakPolarHBondContact CA-OD1 3.43Å
112	I	95.1	Very high	93.9	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	115.4	-180	-53.3	166.9	0	0	0	106.2	I110 F242 L260 N261	I110-I112 HydrophobicContact CG2-CD1 4.4Å; I110-I112 HydrophobicContact CG2-CG1 4.16Å; I112-F242 HydrophobicContact CD1-CB 3.51Å; I112-F242 HydrophobicContact CD1-CD2 4.2Å; I112-F242 HydrophobicContact CD1-CG 4.4Å; I112-F242 HydrophobicContact CG2-CD2 4.43Å; I112-L260 HydrophobicContact CD1-CD1 3.85Å; I112-L260 HydrophobicContact CG1-CD1 4.41Å; I112-N261 PolarHBondContact N-OD1 3.13Å; I112-N261 PolarHBondContact O-ND2 2.91Å; I112-N261 PolarHBondContact O-OD1 3.44Å
113	N	94.3	Very high	94.2	Very high	49 Å²	49	43.3 Å²	43.3	26%	0.262	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	98.1	175.6	-172	-2.7	0	0	0	110.1	A115 E116 N117 M118	N113-A115 VanDerWaalsContact C-N 3.3Å; N113-A115 PolarHBondContact O-N 2.65Å; N113-A115 PolarHBondContact OD1-N 2.84Å; N113-E116 HydrophobicContact CB-CB 4.31Å; N113-E116 WeakPolarHBondContact ND2-CG 3.4Å; N113-E116 PolarHBondContact ND2-OE2 3.38Å; N113-E116 PolarHBondContact O-N 2.9Å; N113-N117 PolarHBondContact O-N 3.16Å; N113-N117 VanDerWaalsContact O-N 3.11Å; N113-M118 HydrophobicContact CB-CB 4.47Å; N113-M118 HydrophobicContact CB-CE 3.95Å; N113-M118 PolarHBondContact N-O 3.48Å; N113-M118 PolarHBondContact O-N 2.82Å
114	P	91.1	Very high	94.5	Very high	49 Å²	49	39.9 Å²	39.9	32%	0.318	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-60.6	-37.5	178.4	-24.9	35.7	0	0	0	113.2	E116 N117 L234 V239	P114-E116 VanDerWaalsContact C-N 3.28Å; P114-E116 PolarHBondContact O-N 3.39Å; P114-N117 PolarHBondContact O-N 3.12Å; P114-N117 PolarHBondContact O-OD1 3.42Å; P114-L234 HydrophobicContact CB-CB 4.27Å; P114-V239 HydrophobicContact CG-CG2 3.88Å
115	A	89.5	Confident	94.5	Very high	94 Å²	94	35.1 Å²	35.1	78%	0.777	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-66.8	-27.4	-177.7	0	0	0	0	0	113.6	N113	N113-A115 VanDerWaalsContact C-N 3.3Å; N113-A115 PolarHBondContact O-N 2.65Å; N113-A115 PolarHBondContact OD1-N 2.84Å
116	E	92.4	Very high	94.4	Very high	110 Å²	110	39 Å²	39	51%	0.514	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-97.5	-3	173.6	-71.7	178	158.1	0	0	113.1	N113 P114 M118	N113-E116 HydrophobicContact CB-CB 4.31Å; N113-E116 WeakPolarHBondContact ND2-CG 3.4Å; N113-E116 PolarHBondContact ND2-OE2 3.38Å; N113-E116 PolarHBondContact O-N 2.9Å; P114-E116 VanDerWaalsContact C-N 3.28Å; P114-E116 PolarHBondContact O-N 3.39Å; E116-M118 HydrophobicContact CB-CB 3.8Å; E116-M118 PolarHBondContact O-N 3.02Å
117	N	93.7	Very high	94.2	Very high	41 Å²	41	37.1 Å²	37.1	22%	0.219	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	42.9	-167.6	-67.6	-54.4	0	0	0	112.7	N113 P114 P224 L226 E233 L234	N113-N117 PolarHBondContact O-N 3.16Å; N113-N117 VanDerWaalsContact O-N 3.11Å; P114-N117 PolarHBondContact O-N 3.12Å; P114-N117 PolarHBondContact O-OD1 3.42Å; N117-P224 VanDerWaalsContact O-CD 3.32Å; N117-P224 WeakPolarHBondContact O-CD 3.07Å; N117-L226 HydrophobicContact CB-CD1 3.95Å; N117-L226 VanDerWaalsContact CG-CD1 3.5Å; N117-L226 WeakPolarHBondContact OD1-CD1 3.38Å; N117-E233 WeakPolarHBondContact OD1-CA 3.03Å; N117-L234 PolarHBondContact OD1-N 2.89Å
118	M	96	Very high	94.1	Very high	20 Å²	20	37.1 Å²	37.1	10%	0.099	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.1	-169	-176.5	-81.8	-68.7	0	0	110.8	N113 E116 R120 T221 Y223	N113-M118 HydrophobicContact CB-CB 4.47Å; N113-M118 HydrophobicContact CB-CE 3.95Å; N113-M118 PolarHBondContact N-O 3.48Å; N113-M118 PolarHBondContact O-N 2.82Å; E116-M118 HydrophobicContact CB-CB 3.8Å; E116-M118 PolarHBondContact O-N 3.02Å; M118-R120 HydrophobicContact SD-CB 3.94Å; M118-T221 HydrophobicContact CG-CG2 3.84Å; M118-T221 HydrophobicContact SD-CG2 3.69Å; M118-Y223 HydrophobicContact CB-CD1 3.97Å; M118-Y223 HydrophobicContact CB-CE1 3.71Å; M118-Y223 HydrophobicContact CG-CD1 4.22Å; M118-Y223 HydrophobicContact CG-CE1 3.7Å; M118-Y223 HydrophobicContact CG-CE2 4.01Å
119	V	96.6	Very high	93.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.3	171.5	-175.2	0	0	0	0	109.7	F88 D111 I121 T221 F222 L234 F242	F88-V119 HydrophobicContact CD2-CG1 3.81Å; F88-V119 HydrophobicContact CE2-CG1 3.77Å; D111-V119 CarbonylContact O-C 3.54Å; D111-V119 WeakPolarHBondContact O-CA 3.31Å; V119-I121 HydrophobicContact CG1-CG1 4.48Å; V119-T221 CarbonylContact O-C 3.55Å; V119-T221 WeakPolarHBondContact O-CA 3.47Å; V119-F222 HydrophobicContact CB-CD1 4.14Å; V119-F222 HydrophobicContact CB-CE1 3.67Å; V119-F222 HydrophobicContact CB-CE2 4.26Å; V119-F222 HydrophobicContact CB-CZ 3.74Å; V119-F222 HydrophobicContact CG1-CD1 4.48Å; V119-F222 HydrophobicContact CG1-CE1 3.67Å; V119-F222 HydrophobicContact CG1-CZ 3.88Å; V119-F222 HydrophobicContact CG2-CZ 4.26Å; V119-F222 PolarHBondContact N-O 3.23Å; V119-F222 WeakPolarHBondContact O-CD1 3.04Å; V119-F222 PolarHBondContact O-N 3.5Å; V119-L234 HydrophobicContact CG2-CD1 4.12Å; V119-F242 HydrophobicContact CG2-CD2 4.39Å; V119-F242 HydrophobicContact CG2-CE2 4.01Å
120	R	97.2	Very high	93.6	Very high	104 Å²	104	34.8 Å²	34.8	39%	0.392	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.3	175.6	176.8	174.4	70.9	-166	1.6	110.2	I110 D111 M118 I220 T221	I110-R120 WeakPolarHBondContact CA-O 3.11Å; D111-R120 HydrophobicContact CB-CB 4.31Å; D111-R120 PolarHBondContact N-O 2.93Å; D111-R120 PolarHBondContact O-N 3.44Å; D111-R120 IonicContact OD2-CZ 3.22Å; D111-R120 IonicContact OD2-NE 2.71Å; D111-R120 PolarHBondContact OD2-NE 3.16Å; D111-R120 IonicContact OD2-NH2 2.68Å; D111-R120 PolarHBondContact OD2-NH2 3.03Å; M118-R120 HydrophobicContact SD-CB 3.94Å; R120-I220 CarbonylContact C-O 3.57Å; R120-I220 WeakPolarHBondContact CA-O 3.27Å; R120-T221 HydrophobicContact CB-CG2 4.23Å; R120-T221 WeakPolarHBondContact CG-OG1 3.31Å
121	I	97.1	Very high	93.4	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.015	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	121.7	173.4	-66.3	161.5	0	0	0	107.6	F88 I91 L92 A95 K109 I110 V119 C219 I220 F222	F88-I121 HydrophobicContact CD2-CD1 3.98Å; F88-I121 HydrophobicContact CE2-CD1 3.92Å; F88-I121 HydrophobicContact CE2-CG1 4.48Å; I91-I121 HydrophobicContact CB-CD1 3.79Å; I91-I121 HydrophobicContact CG2-CB 3.96Å; I91-I121 HydrophobicContact CG2-CD1 3.52Å; I91-I121 HydrophobicContact CG2-CG1 4.32Å; I91-I121 HydrophobicContact CG2-CG2 4.18Å; L92-I121 HydrophobicContact CD2-CD1 3.62Å; L92-I121 HydrophobicContact CD2-CG1 3.92Å; L92-I121 HydrophobicContact CD2-CG2 4.11Å; L92-I121 HydrophobicContact CG-CD1 3.85Å; A95-I121 HydrophobicContact CB-CG2 4.14Å; K109-I121 WeakPolarHBondContact O-CA 3.38Å; I110-I121 HydrophobicContact CG2-CG1 4.42Å; V119-I121 HydrophobicContact CG1-CG1 4.48Å; I121-C219 WeakPolarHBondContact O-CA 3.33Å; I121-I220 PolarHBondContact N-O 3.49Å; I121-I220 PolarHBondContact O-N 2.98Å; I121-F222 HydrophobicContact CD1-CE1 4.34Å
122	W	96.8	Very high	93.2	Very high	54 Å²	54	40 Å²	40	21%	0.205	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.6	179.9	178.2	103	0	0	0	109.8	C107 I108 K109 D124 F217 T218	C107-W122 HydrophobicContact CB-CZ3 4.13Å; I108-W122 CarbonylContact C-O 3.54Å; I108-W122 WeakPolarHBondContact CA-O 3.2Å; K109-W122 HydrophobicContact CB-CB 4.31Å; K109-W122 HydrophobicContact CB-CE3 4.32Å; K109-W122 HydrophobicContact CD-CD2 4.07Å; K109-W122 HydrophobicContact CD-CE3 3.54Å; K109-W122 HydrophobicContact CD-CZ3 3.99Å; K109-W122 HydrophobicContact CG-CE3 3.8Å; K109-W122 HydrophobicContact CG-CZ3 4.32Å; K109-W122 PolarHBondContact N-O 3.47Å; K109-W122 VanDerWaalsContact NZ-CH2 3.35Å; K109-W122 PolarHBondContact O-N 3.11Å; W122-D124 HydrophobicContact CH2-CB 3.78Å; W122-D124 HydrophobicContact CZ3-CB 4.06Å; W122-F217 AromaticContact CD1-CD2 3.95Å; W122-F217 HydrophobicContact CZ2-CB 3.83Å; W122-F217 AromaticContact NE1-CD2 3.49Å; W122-F217 AromaticContact NE1-CG 3.62Å; W122-T218 CarbonylContact C-O 3.51Å; W122-T218 WeakPolarHBondContact CA-O 3.49Å
123	N	95.1	Very high	93	Very high	10 Å²	10	43 Å²	43	5%	0.053	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	148.7	173	66.9	-96.9	0	0	0	112.2	A95 N98 M105 C107 I108 F217 T218	A95-N123 HydrophobicContact CB-CB 4.28Å; N98-N123 PolarHBondContact ND2-ND2 2.9Å; M105-N123 HydrophobicContact CE-CB 3.57Å; C107-N123 WeakPolarHBondContact O-CA 3.39Å; I108-N123 HydrophobicContact CG1-CB 4.31Å; N123-F217 VanDerWaalsContact O-CA 3.26Å; N123-F217 WeakPolarHBondContact O-CA 3.3Å; N123-F217 WeakPolarHBondContact O-CB 3.43Å; N123-T218 PolarHBondContact N-O 3.11Å; N123-T218 PolarHBondContact O-N 2.88Å
124	D	94.2	Very high	92.8	Very high	26 Å²	26	50.5 Å²	50.5	14%	0.139	26%	0.257	C	S	.	.			trans	-84.3	-169.7	164.4	68	-4.7	0	0	0	111.4	N98 M105 S106 C107 W122	N98-D124 PolarHBondContact ND2-O 2.92Å; M105-D124 WeakPolarHBondContact CG-O 3.27Å; M105-D124 WeakPolarHBondContact CG-OD1 3.29Å; S106-D124 WeakPolarHBondContact CA-OD2 3.2Å; S106-D124 WeakPolarHBondContact CB-OD2 3.33Å; S106-D124 VanDerWaalsContact N-CG 3.3Å; S106-D124 PolarHBondContact N-OD1 2.92Å; S106-D124 PolarHBondContact N-OD2 3.3Å; S106-D124 VanDerWaalsContact N-OD2 3.13Å; S106-D124 PolarHBondContact OG-OD2 3.48Å; C107-D124 WeakPolarHBondContact CB-OD2 3.34Å; C107-D124 VanDerWaalsContact N-CG 3.32Å; C107-D124 PolarHBondContact N-OD1 2.81Å; C107-D124 PolarHBondContact N-OD2 2.77Å; C107-D124 PolarHBondContact O-N 3.08Å; C107-D124 VanDerWaalsContact O-OD1 3.12Å; W122-D124 HydrophobicContact CH2-CB 3.78Å; W122-D124 HydrophobicContact CZ3-CB 4.06Å
125	G	90.7	Very high	92.7	Very high	10 Å²	10	53.8 Å²	53.8	10%	0.103	28%	0.276	C	S	.	.	S	Bend	trans	73.8	169.7	-170	0	0	0	0	0	112.3	D102 G127 D216	D102-G125 WeakPolarHBondContact OD2-CA 3.43Å; G125-G127 PolarHBondContact O-N 3.08Å; G125-D216 CarbonylContact O-C 3.56Å; G125-D216 WeakPolarHBondContact O-CB 3.37Å
126	K	90.6	Very high	92.7	Very high	84 Å²	84	54.3 Å²	54.3	37%	0.365	26%	0.262	S	S	.	.	S	Bend	trans	-40.5	119.6	-172.2	-75.9	-167.1	172.4	-148.1	0	112.9	N98 R101 D102 E188	N98-K126 PolarHBondContact ND2-O 2.99Å; N98-K126 VanDerWaalsContact ND2-O 3.14Å; N98-K126 PolarHBondContact OD1-O 2.95Å; R101-K126 PolarHBondContact NH1-O 3.08Å; D102-K126 HydrophobicContact CB-CB 4.2Å; D102-K126 HydrophobicContact CB-CG 4.24Å; D102-K126 PolarHBondContact OD2-N 3.21Å; K126-E188 IonicContact NZ-OE2 3.16Å; K126-E188 PolarHBondContact NZ-OE2 2.88Å; K126-E188 VanDerWaalsContact NZ-OE2 3.16Å
127	G	88.4	Confident	92.6	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.01	27%	0.271	C	S	.	.			trans	-66.6	-172.5	174.7	0	0	0	0	0	113.7	R101 G125	R101-G127 PolarHBondContact NH1-O 3.16Å; R101-G127 PolarHBondContact NH2-O 3.09Å; G125-G127 PolarHBondContact O-N 3.08Å
128	I	91.5	Very high	92.5	Very high	13 Å²	13	54.8 Å²	54.8	7%	0.067	27%	0.269	C	S	.	.			trans	-83.5	134.6	173.5	-55.1	140.2	0	0	0	108.3	V130 V140 P141 I144 F145 V182 T184 T218	I128-V130 PolarHBondContact O-N 2.77Å; I128-V130 VanDerWaalsContact O-N 3.1Å; I128-V140 HydrophobicContact CG2-CG1 4.07Å; I128-P141 HydrophobicContact CB-CG 4.26Å; I128-P141 HydrophobicContact CG2-CB 4.21Å; I128-P141 HydrophobicContact CG2-CG 3.73Å; I128-I144 HydrophobicContact CG1-CD1 4.33Å; I128-I144 HydrophobicContact CG2-CD1 3.64Å; I128-F145 HydrophobicContact CD1-CE2 3.54Å; I128-F145 HydrophobicContact CD1-CZ 4.16Å; I128-F145 HydrophobicContact CG1-CE2 4.41Å; I128-V182 HydrophobicContact CD1-CG1 4.38Å; I128-T184 HydrophobicContact CB-CG2 4.18Å; I128-T184 HydrophobicContact CD1-CG2 3.98Å; I128-T184 PolarHBondContact N-OG1 2.91Å; I128-T218 HydrophobicContact CD1-CG2 3.65Å; I128-T218 HydrophobicContact CG1-CG2 4.43Å
129	P	91.6	Very high	92.4	Very high	30 Å²	30	57 Å²	57	20%	0.195	28%	0.277	C	S	.	.			trans	-55.8	115	178.4	-29.7	38	0	0	0	113	V131 Y189	P129-V131 HydrophobicContact CB-CG1 3.84Å; P129-V131 PolarHBondContact O-N 2.9Å; P129-Y189 HydrophobicContact CB-CD2 4.03Å; P129-Y189 HydrophobicContact CB-CE2 3.61Å; P129-Y189 HydrophobicContact CG-CE2 4.1Å
130	V	91.1	Very high	92.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.284	C	S	.	.			trans	-83.4	64.4	178	-171.4	0	0	0	0	110	I128 T184 K191 F193 I209	I128-V130 PolarHBondContact O-N 2.77Å; I128-V130 VanDerWaalsContact O-N 3.1Å; V130-T184 HydrophobicContact CG2-CG2 4.4Å; V130-K191 HydrophobicContact CB-CB 3.85Å; V130-K191 HydrophobicContact CB-CD 4.48Å; V130-K191 HydrophobicContact CG1-CB 3.8Å; V130-K191 HydrophobicContact CG1-CD 4.11Å; V130-K191 HydrophobicContact CG2-CB 4.41Å; V130-F193 HydrophobicContact CB-CB 4.49Å; V130-F193 HydrophobicContact CG1-CB 3.87Å; V130-F193 HydrophobicContact CG1-CD2 4.25Å; V130-F193 HydrophobicContact CG2-CB 3.75Å; V130-I209 HydrophobicContact CG1-CD1 4.33Å; V130-I209 HydrophobicContact CG1-CG1 4.41Å; V130-I209 HydrophobicContact CG1-CG2 4.12Å
131	V	92.4	Very high	92	Very high	54 Å²	54	53.2 Å²	53.2	33%	0.327	27%	0.265	S	S	.	.	S	Bend	trans	-128.7	153.6	-174.4	71.3	0	0	0	0	110.7	P129 Y139 V140 Y189	P129-V131 HydrophobicContact CB-CG1 3.84Å; P129-V131 PolarHBondContact O-N 2.9Å; V131-Y139 WeakPolarHBondContact O-CA 3.08Å; V131-V140 HydrophobicContact CG1-CB 4.47Å; V131-V140 HydrophobicContact CG1-CG2 3.76Å; V131-V140 PolarHBondContact O-N 2.83Å; V131-Y189 HydrophobicContact CB-CD1 3.95Å; V131-Y189 HydrophobicContact CB-CE1 3.97Å; V131-Y189 HydrophobicContact CG1-CE1 4.37Å; V131-Y189 HydrophobicContact CG2-CD1 4.4Å; V131-Y189 HydrophobicContact CG2-CE1 4.26Å
132	H	91.5	Very high	91.9	Very high	83 Å²	83	53.7 Å²	53.7	38%	0.384	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-80.6	127.3	174.7	-150.9	-99.8	0	0	0	109.8	N137 T138 Y139	H132-N137 PolarHBondContact CE1-O 3.03Å; H132-N137 PolarHBondContact CE1-OD1 3.1Å; H132-T138 PolarHBondContact CE1-N 3.23Å; H132-Y139 AromaticContact CD2-CE2 3.96Å
133	H	90.9	Very high	91.7	Very high	68 Å²	68	51.8 Å²	51.8	32%	0.315	26%	0.262	S	S	.	.			trans	-77.7	126.5	178.7	-165.5	-119.8	0	0	0	110.2	V135 E136 N137 T138 V140 L143	H133-V135 VanDerWaalsContact C-N 3.34Å; H133-V135 PolarHBondContact O-N 2.68Å; H133-E136 HydrophobicContact CB-CB 4.46Å; H133-E136 WeakPolarHBondContact ND1-CB 3.39Å; H133-E136 WeakPolarHBondContact ND1-CG 3.47Å; H133-E136 PolarHBondContact ND1-N 2.71Å; H133-N137 PolarHBondContact O-N 2.75Å; H133-T138 WeakPolarHBondContact CB-O 3.42Å; H133-T138 PolarHBondContact N-O 2.77Å; H133-V140 HydrophobicContact CB-CG2 4.04Å; H133-L143 HydrophobicContact CB-CD2 4.29Å
134	K	89.7	Confident	91.6	Very high	206 Å²	206	53.7 Å²	53.7	90%	0.896	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-30.6	-171.1	-66.9	-174.8	179.4	-178.8	0	114.2
135	V	89.4	Confident	91.5	Very high	118 Å²	118	53.2 Å²	53.2	72%	0.715	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-43.7	-175.6	-177.6	0	0	0	0	111.6	H133 N137	H133-V135 VanDerWaalsContact C-N 3.34Å; H133-V135 PolarHBondContact O-N 2.68Å; V135-N137 VanDerWaalsContact C-N 3.34Å
136	E	90.2	Very high	91.5	Very high	106 Å²	106	53.4 Å²	53.4	50%	0.495	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	2.4	-173.1	-57.4	-62.2	142.4	0	0	113.4	H133 T138 L143	H133-E136 HydrophobicContact CB-CB 4.46Å; H133-E136 WeakPolarHBondContact ND1-CB 3.39Å; H133-E136 WeakPolarHBondContact ND1-CG 3.47Å; H133-E136 PolarHBondContact ND1-N 2.71Å; E136-T138 HydrophobicContact CB-CG2 4.32Å; E136-T138 PolarHBondContact O-N 3.32Å; E136-L143 HydrophobicContact CB-CD1 3.88Å; E136-L143 HydrophobicContact CB-CD2 4.1Å; E136-L143 HydrophobicContact CG-CD1 3.79Å; E136-L143 HydrophobicContact CG-CD2 3.84Å; E136-L143 HydrophobicContact CG-CG 4.49Å
137	N	89.8	Confident	91.5	Very high	130 Å²	130	53.7 Å²	53.7	70%	0.695	27%	0.273	S	S	*	.	S	Bend	trans	47.3	38.9	175.9	-159.8	49.1	0	0	0	115.2	H132 H133 V135	H132-N137 PolarHBondContact CE1-O 3.03Å; H132-N137 PolarHBondContact CE1-OD1 3.1Å; H133-N137 PolarHBondContact O-N 2.75Å; V135-N137 VanDerWaalsContact C-N 3.34Å
138	T	91.8	Very high	91.6	Very high	30 Å²	30	55.1 Å²	55.1	18%	0.184	28%	0.28	C	S	.	.	S	Bend	trans	-149.1	168.8	179.1	-169.2	0	0	0	0	111	H132 H133 E136 T142 L143	H132-T138 PolarHBondContact CE1-N 3.23Å; H133-T138 WeakPolarHBondContact CB-O 3.42Å; H133-T138 PolarHBondContact N-O 2.77Å; E136-T138 HydrophobicContact CB-CG2 4.32Å; E136-T138 PolarHBondContact O-N 3.32Å; T138-T142 WeakPolarHBondContact OG1-CG2 3.34Å; T138-L143 HydrophobicContact CG2-CB 3.91Å; T138-L143 HydrophobicContact CG2-CD1 4.41Å
139	Y	93.9	Very high	91.4	Very high	67 Å²	67	58.7 Å²	58.7	26%	0.263	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-69.7	140.9	175.6	-77.1	-79.5	0	0	0	112	V131 H132 T142 L143 F193 P207 I209	V131-Y139 WeakPolarHBondContact O-CA 3.08Å; H132-Y139 AromaticContact CD2-CE2 3.96Å; Y139-T142 WeakPolarHBondContact O-CA 3.25Å; Y139-T142 VanDerWaalsContact O-CB 3.29Å; Y139-T142 WeakPolarHBondContact O-CB 3.14Å; Y139-T142 PolarHBondContact O-N 3.16Å; Y139-L143 PolarHBondContact O-N 3.04Å; Y139-F193 HydrophobicContact CG-CE2 4.49Å; Y139-P207 HydrophobicContact CD2-CG 4.1Å; Y139-P207 HydrophobicContact CE2-CG 4.49Å; Y139-I209 HydrophobicContact CD1-CD1 3.77Å; Y139-I209 HydrophobicContact CD2-CD1 3.86Å; Y139-I209 HydrophobicContact CE1-CD1 3.44Å; Y139-I209 VanDerWaalsContact CE1-CD1 3.44Å; Y139-I209 HydrophobicContact CE2-CD1 3.52Å; Y139-I209 HydrophobicContact CG-CD1 3.97Å
140	V	92.9	Very high	91.2	Very high	24 Å²	24	58.3 Å²	58.3	15%	0.145	30%	0.296	C	S	.	.	H	α-helix	trans	-56.1	-41.1	-177.5	170.4	0	0	0	0	113.7	I128 V131 H133 T142 L143 I144	I128-V140 HydrophobicContact CG2-CG1 4.07Å; V131-V140 HydrophobicContact CG1-CB 4.47Å; V131-V140 HydrophobicContact CG1-CG2 3.76Å; V131-V140 PolarHBondContact O-N 2.83Å; H133-V140 HydrophobicContact CB-CG2 4.04Å; V140-T142 PolarHBondContact O-N 2.97Å; V140-L143 WeakPolarHBondContact O-CB 3.46Å; V140-L143 PolarHBondContact O-N 2.66Å; V140-I144 HydrophobicContact CG1-CG2 4.37Å; V140-I144 WeakPolarHBondContact O-CG1 3.43Å; V140-I144 PolarHBondContact O-N 3.07Å
141	P	93.2	Very high	90.8	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-40	172	-21.1	31.6	0	0	0	113.2	I128 L143 F145 T184 F193	I128-P141 HydrophobicContact CB-CG 4.26Å; I128-P141 HydrophobicContact CG2-CB 4.21Å; I128-P141 HydrophobicContact CG2-CG 3.73Å; P141-L143 VanDerWaalsContact C-N 3.34Å; P141-L143 PolarHBondContact O-N 2.8Å; P141-F145 WeakPolarHBondContact O-CD2 3.41Å; P141-F145 PolarHBondContact O-N 2.9Å; P141-T184 HydrophobicContact CG-CG2 4.4Å; P141-F193 HydrophobicContact CB-CD1 3.72Å; P141-F193 HydrophobicContact CB-CD2 4.26Å; P141-F193 HydrophobicContact CB-CE1 3.51Å; P141-F193 HydrophobicContact CB-CE2 4.04Å; P141-F193 HydrophobicContact CB-CG 4.11Å; P141-F193 HydrophobicContact CB-CZ 3.67Å; P141-F193 HydrophobicContact CG-CD1 4.06Å; P141-F193 HydrophobicContact CG-CD2 4.01Å; P141-F193 HydrophobicContact CG-CE1 4.26Å; P141-F193 HydrophobicContact CG-CE2 4.17Å; P141-F193 HydrophobicContact CG-CG 3.96Å; P141-F193 HydrophobicContact CG-CZ 4.3Å
142	T	94	Very high	90.3	Very high	13 Å²	13	62.1 Å²	62.1	8%	0.08	33%	0.325	C	S	.	.	H	α-helix	trans	-60.6	-44.7	174.8	-52.7	0	0	0	0	111	T138 Y139 V140 G146 F193 Q195 W197	T138-T142 WeakPolarHBondContact OG1-CG2 3.34Å; Y139-T142 WeakPolarHBondContact O-CA 3.25Å; Y139-T142 VanDerWaalsContact O-CB 3.29Å; Y139-T142 WeakPolarHBondContact O-CB 3.14Å; Y139-T142 PolarHBondContact O-N 3.16Å; V140-T142 PolarHBondContact O-N 2.97Å; T142-G146 WeakPolarHBondContact O-CA 3.34Å; T142-G146 PolarHBondContact O-N 3.46Å; T142-F193 WeakPolarHBondContact OG1-CZ 3.39Å; T142-Q195 PolarHBondContact OG1-OE1 3.32Å; T142-W197 HydrophobicContact CG2-CZ2 4.33Å
143	L	92.5	Very high	89.7	Confident	14 Å²	14	58.8 Å²	58.8	7%	0.073	31%	0.31	C	S	.	.	H	α-helix	trans	-58.7	-57.2	176.5	-178.9	61.7	0	0	0	111.8	H133 E136 T138 Y139 V140 P141 F145 H147 T150	H133-L143 HydrophobicContact CB-CD2 4.29Å; E136-L143 HydrophobicContact CB-CD1 3.88Å; E136-L143 HydrophobicContact CB-CD2 4.1Å; E136-L143 HydrophobicContact CG-CD1 3.79Å; E136-L143 HydrophobicContact CG-CD2 3.84Å; E136-L143 HydrophobicContact CG-CG 4.49Å; T138-L143 HydrophobicContact CG2-CB 3.91Å; T138-L143 HydrophobicContact CG2-CD1 4.41Å; Y139-L143 PolarHBondContact O-N 3.04Å; V140-L143 WeakPolarHBondContact O-CB 3.46Å; V140-L143 PolarHBondContact O-N 2.66Å; P141-L143 VanDerWaalsContact C-N 3.34Å; P141-L143 PolarHBondContact O-N 2.8Å; L143-F145 VanDerWaalsContact C-N 3.32Å; L143-F145 PolarHBondContact O-N 3.31Å; L143-H147 HydrophobicContact CD1-CB 4.18Å; L143-H147 WeakPolarHBondContact O-CB 3.36Å; L143-H147 PolarHBondContact O-N 3.11Å; L143-T150 HydrophobicContact CD1-CG2 3.78Å; L143-T150 HydrophobicContact CG-CG2 3.93Å; L143-T150 PolarHBondContact O-OG1 2.96Å
144	I	92.2	Very high	89.2	Confident	50 Å²	50	61 Å²	61	26%	0.256	32%	0.317	S	S	.	.	H	α-helix	trans	-78.6	-11.4	-167.8	73.6	-177	0	0	0	114.8	I128 V140 K171	I128-I144 HydrophobicContact CG1-CD1 4.33Å; I128-I144 HydrophobicContact CG2-CD1 3.64Å; V140-I144 HydrophobicContact CG1-CG2 4.37Å; V140-I144 WeakPolarHBondContact O-CG1 3.43Å; V140-I144 PolarHBondContact O-N 3.07Å; I144-K171 WeakPolarHBondContact O-CD 3.45Å; I144-K171 PolarHBondContact O-NZ 2.96Å
145	F	93.2	Very high	88.8	Confident	17 Å²	17	55 Å²	55	8%	0.075	29%	0.294	C	S	.	.	H	α-helix	trans	-112.8	-22.3	174.7	-71.3	-83.7	0	0	0	114.5	I128 P141 L143 A170 N174 F180 V182 W197 I220	I128-F145 HydrophobicContact CD1-CE2 3.54Å; I128-F145 HydrophobicContact CD1-CZ 4.16Å; I128-F145 HydrophobicContact CG1-CE2 4.41Å; P141-F145 WeakPolarHBondContact O-CD2 3.41Å; P141-F145 PolarHBondContact O-N 2.9Å; L143-F145 VanDerWaalsContact C-N 3.32Å; L143-F145 PolarHBondContact O-N 3.31Å; F145-A170 HydrophobicContact CD1-CB 3.71Å; F145-A170 HydrophobicContact CE1-CB 3.63Å; F145-N174 PolarHBondContact O-ND2 3.5Å; F145-F180 HydrophobicContact CB-CE1 4.27Å; F145-F180 AromaticContact CD1-CE1 3.69Å; F145-F180 HydrophobicContact CD1-CE1 3.69Å; F145-F180 AromaticContact CD1-CZ 3.82Å; F145-F180 HydrophobicContact CD1-CZ 3.82Å; F145-F180 HydrophobicContact CE1-CZ 4.32Å; F145-F180 HydrophobicContact CG-CE1 4.32Å; F145-V182 HydrophobicContact CB-CG2 3.81Å; F145-V182 HydrophobicContact CD1-CG2 3.88Å; F145-V182 HydrophobicContact CD2-CG1 4.08Å; F145-V182 HydrophobicContact CD2-CG2 3.95Å; F145-V182 HydrophobicContact CE1-CG2 4.48Å; F145-V182 HydrophobicContact CE2-CG1 4.22Å; F145-V182 HydrophobicContact CG-CG2 3.59Å; F145-W197 HydrophobicContact CB-CH2 4.1Å; F145-W197 HydrophobicContact CB-CZ2 4.49Å; F145-W197 HydrophobicContact CB-CZ3 4.48Å; F145-I220 HydrophobicContact CD1-CD1 4.15Å; F145-I220 HydrophobicContact CE1-CD1 3.45Å; F145-I220 VanDerWaalsContact CE1-CD1 3.45Å; F145-I220 HydrophobicContact CE1-CG1 4.24Å; F145-I220 HydrophobicContact CE2-CD1 4.45Å; F145-I220 HydrophobicContact CZ-CD1 3.64Å
146	G	91.3	Very high	88.2	Confident	14 Å²	14	53.4 Å²	53.4	14%	0.144	28%	0.282	C	S	.	.	H	α-helix	trans	-100.4	-20	179.7	0	0	0	0	0	115.3	T142 M201	T142-G146 WeakPolarHBondContact O-CA 3.34Å; T142-G146 PolarHBondContact O-N 3.46Å; G146-M201 VanDerWaalsContact O-CE 3.31Å; G146-M201 WeakPolarHBondContact O-CE 3.17Å
147	H	90.6	Very high	87.7	Confident	90 Å²	90	54.2 Å²	54.2	42%	0.417	29%	0.294	S	S	.	.	S	Bend	trans	-117.7	129.5	-175.2	-60.5	-113.5	0	0	0	111.5	L143 T150 K171	L143-H147 HydrophobicContact CD1-CB 4.18Å; L143-H147 WeakPolarHBondContact O-CB 3.36Å; L143-H147 PolarHBondContact O-N 3.11Å; H147-T150 HydrophobicContact CB-CG2 4.16Å; H147-T150 PolarHBondContact O-OG1 3.38Å; H147-K171 WeakPolarHBondContact O-CD 3.45Å; H147-K171 VanDerWaalsContact O-CE 3.31Å; H147-K171 WeakPolarHBondContact O-CE 3.18Å; H147-K171 WeakPolarHBondContact O-CG 3.27Å
148	L	90.3	Very high	87.2	Confident	31 Å²	31	53.3 Å²	53.3	16%	0.162	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	161.7	174	-73.7	166.5	0	0	0	111.2	Q41 I45 T150 Y168 K171 I175 M201	Q41-L148 HydrophobicContact CB-CD1 4.29Å; Q41-L148 HydrophobicContact CG-CD1 4Å; I45-L148 HydrophobicContact CD1-CD1 3.66Å; I45-L148 HydrophobicContact CD1-CD2 3.86Å; I45-L148 HydrophobicContact CD1-CG 4.45Å; L148-T150 VanDerWaalsContact C-N 3.31Å; L148-T150 PolarHBondContact O-N 3.28Å; L148-Y168 HydrophobicContact CD2-CD1 3.91Å; L148-Y168 HydrophobicContact CD2-CE1 4.2Å; L148-K171 HydrophobicContact CD2-CB 3.78Å; L148-K171 HydrophobicContact CD2-CG 4.4Å; L148-K171 HydrophobicContact CG-CB 4.5Å; L148-I175 HydrophobicContact CD1-CD1 4.27Å; L148-I175 HydrophobicContact CD2-CD1 3.94Å; L148-I175 HydrophobicContact CG-CD1 4.33Å; L148-M201 HydrophobicContact CG-CE 4.46Å
149	L	87.7	Confident	86.8	Confident	87 Å²	87	60.1 Å²	60.1	46%	0.455	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	34.5	178.4	-58.6	173.7	0	0	0	114.6	Y154 Y168	L149-Y154 VanDerWaalsContact CA-OH 3.23Å; L149-Y154 WeakPolarHBondContact CA-OH 3.32Å; L149-Y154 VanDerWaalsContact O-CE2 3.28Å; L149-Y154 WeakPolarHBondContact O-CE2 3.48Å; L149-Y154 PolarHBondContact O-OH 3.49Å; L149-Y168 HydrophobicContact CD2-CE1 4.34Å; L149-Y168 HydrophobicContact CD2-CE2 3.85Å
150	T	85.9	Confident	86.3	Confident	23 Å²	23	57.9 Å²	57.9	14%	0.141	30%	0.3	C	S	.	.			trans	-114	127.6	176.2	51.6	0	0	0	0	111.9	L143 H147 L148 G167 K171	L143-T150 HydrophobicContact CD1-CG2 3.78Å; L143-T150 HydrophobicContact CG-CG2 3.93Å; L143-T150 PolarHBondContact O-OG1 2.96Å; H147-T150 HydrophobicContact CB-CG2 4.16Å; H147-T150 PolarHBondContact O-OG1 3.38Å; L148-T150 VanDerWaalsContact C-N 3.31Å; L148-T150 PolarHBondContact O-N 3.28Å; T150-G167 VanDerWaalsContact O-CA 3.3Å; T150-G167 WeakPolarHBondContact O-CA 3.47Å; T150-G167 VanDerWaalsContact O-O 3.1Å; T150-K171 PolarHBondContact O-NZ 3.01Å; T150-K171 WeakPolarHBondContact OG1-CE 3.4Å; T150-K171 PolarHBondContact OG1-NZ 2.81Å
151	S	83.8	Confident	86.1	Confident	41 Å²	41	57.9 Å²	57.9	29%	0.287	30%	0.3	S	S	.	.			trans	-156.5	156.2	-178.5	-162.6	0	0	0	0	112.6	N153	S151-N153 PolarHBondContact OG-N 2.97Å
152	S	81.6	Confident	85.6	Confident	93 Å²	93	58.5 Å²	58.5	65%	0.65	30%	0.304	S	S	*	.	S	Bend	trans	-84.1	-10.6	162.2	51.6	0	0	0	0	113.5
153	N	78.5	Confident	84.9	Confident	13 Å²	13	57.9 Å²	57.9	7%	0.07	30%	0.3	C	S	.	.			trans	-111.3	27.9	-163.9	-57.7	-3.9	0	0	0	112.4	S151 K160 T162 G164	S151-N153 PolarHBondContact OG-N 2.97Å; N153-K160 HydrophobicContact CB-CD 4.08Å; N153-T162 PolarHBondContact ND2-OG1 3.47Å; N153-G164 WeakPolarHBondContact CB-O 3.34Å; N153-G164 PolarHBondContact ND2-O 2.82Å
154	Y	80	Confident	84.1	Confident	114 Å²	114	57.7 Å²	57.7	45%	0.447	30%	0.302	S	S	.	.			trans	-87.8	-18.4	173.1	-66.2	-36.5	0	0	0	114	L149 D156 N166	L149-Y154 VanDerWaalsContact CA-OH 3.23Å; L149-Y154 WeakPolarHBondContact CA-OH 3.32Å; L149-Y154 VanDerWaalsContact O-CE2 3.28Å; L149-Y154 WeakPolarHBondContact O-CE2 3.48Å; L149-Y154 PolarHBondContact O-OH 3.49Å; Y154-D156 PolarHBondContact O-N 2.84Å; Y154-N166 PolarHBondContact OH-O 2.86Å
155	D	81.6	Confident	83.3	Confident	80 Å²	80	56.9 Å²	56.9	43%	0.428	30%	0.295	S	S	.	.			trans	-81.5	103.8	166.4	-172.6	-6.8	0	0	0	109.5	T157 K160	D155-T157 VanDerWaalsContact OD1-CB 3.3Å; D155-T157 WeakPolarHBondContact OD1-CB 3.45Å; D155-T157 WeakPolarHBondContact OD1-CG2 3.32Å; D155-T157 PolarHBondContact OD1-N 3.12Å; D155-T157 PolarHBondContact OD1-OG1 3.06Å; D155-T157 PolarHBondContact OD2-OG1 3.32Å; D155-K160 PolarHBondContact O-NZ 2.94Å
156	D	78	Confident	82.5	Confident	85 Å²	85	60 Å²	60	46%	0.455	31%	0.312	S	S	.	.			trans	-87.2	-4.5	176.7	-93.3	8.5	0	0	0	113.6	Y154 E158 R165 N373	Y154-D156 PolarHBondContact O-N 2.84Å; D156-E158 VanDerWaalsContact C-N 3.27Å; D156-R165 VanDerWaalsContact CG-NH2 3.25Å; D156-R165 IonicContact OD1-CZ 2.66Å; D156-R165 VanDerWaalsContact OD1-CZ 3.23Å; D156-R165 IonicContact OD1-NH1 3.21Å; D156-R165 PolarHBondContact OD1-NH1 3.29Å; D156-R165 IonicContact OD1-NH2 3.08Å; D156-R165 PolarHBondContact OD1-NH2 3.41Å; D156-R165 IonicContact OD2-CZ 2.63Å; D156-R165 IonicContact OD2-NH2 3.97Å; D156-R165 PolarHBondContact OD2-NH2 2.84Å; D156-N373 PolarHBondContact O-ND2 2.86Å
157	T	79.7	Confident	82	Confident	123 Å²	123	59.8 Å²	59.8	76%	0.755	31%	0.311	S	S	*	.	S	Bend	trans	-70.4	-31.7	170.4	73	0	0	0	0	110.7	D155	D155-T157 VanDerWaalsContact OD1-CB 3.3Å; D155-T157 WeakPolarHBondContact OD1-CB 3.45Å; D155-T157 WeakPolarHBondContact OD1-CG2 3.32Å; D155-T157 PolarHBondContact OD1-N 3.12Å; D155-T157 PolarHBondContact OD1-OG1 3.06Å; D155-T157 PolarHBondContact OD2-OG1 3.32Å
158	E	79.6	Confident	81.7	Confident	111 Å²	111	57.5 Å²	57.5	52%	0.519	30%	0.299	S	S	.	.	S	Bend	trans	-75.6	122.4	167	-163.7	-170.6	155.4	0	0	110.2	D156 K160 N373	D156-E158 VanDerWaalsContact C-N 3.27Å; E158-K160 HydrophobicContact CB-CG 4.34Å; E158-K160 VanDerWaalsContact CD-CE 3.43Å; E158-K160 HydrophobicContact CG-CG 4.13Å; E158-K160 PolarHBondContact O-N 2.84Å; E158-K160 WeakPolarHBondContact OE2-CE 3.46Å; E158-K160 IonicContact OE2-NZ 2.65Å; E158-K160 PolarHBondContact OE2-NZ 3.28Å; E158-N373 PolarHBondContact O-ND2 3.1Å
159	R	82.1	Confident	81.5	Confident	173 Å²	173	56.3 Å²	56.3	65%	0.653	29%	0.294	S	S	*	.			trans	-80.5	80.7	-177.3	-71.7	167.3	173.9	-113.5	8.2	111.2	E372	R159-E372 HydrophobicContact CB-CB 4.46Å; R159-E372 HydrophobicContact CB-CG 4.07Å; R159-E372 VanDerWaalsContact CD-OE2 3.32Å; R159-E372 WeakPolarHBondContact CD-OE2 3.14Å; R159-E372 IonicContact CZ-OE2 3.82Å; R159-E372 IonicContact NE-OE2 3.19Å; R159-E372 IonicContact NH1-OE2 2.76Å; R159-E372 PolarHBondContact NH1-OE2 2.97Å
160	K	84.3	Confident	81.6	Confident	19 Å²	19	52.5 Å²	52.5	8%	0.083	28%	0.275	C	S	.	.			trans	-83.2	139.8	-174.3	-64.7	176.9	169.7	94.6	0	111.6	N153 D155 E158 N373	N153-K160 HydrophobicContact CB-CD 4.08Å; D155-K160 PolarHBondContact O-NZ 2.94Å; E158-K160 HydrophobicContact CB-CG 4.34Å; E158-K160 VanDerWaalsContact CD-CE 3.43Å; E158-K160 HydrophobicContact CG-CG 4.13Å; E158-K160 PolarHBondContact O-N 2.84Å; E158-K160 WeakPolarHBondContact OE2-CE 3.46Å; E158-K160 IonicContact OE2-NZ 2.65Å; E158-K160 PolarHBondContact OE2-NZ 3.28Å; K160-N373 PolarHBondContact N-OD1 3.39Å; K160-N373 PolarHBondContact O-N 3.24Å; K160-N373 PolarHBondContact O-OD1 2.62Å
161	V	87.5	Confident	81.9	Confident	25 Å²	25	51.8 Å²	51.8	15%	0.152	27%	0.27	C	S	.	.			trans	-105.9	36.2	172.7	-63.5	0	0	0	0	111.8	V100 N317 L370 E372	V100-V161 HydrophobicContact CG1-CG2 3.85Å; V161-N317 VanDerWaalsContact C-CG 3.45Å; V161-N317 WeakPolarHBondContact CA-ND2 3.36Å; V161-N317 WeakPolarHBondContact O-CB 3.43Å; V161-N317 PolarHBondContact O-ND2 3.25Å; V161-L370 HydrophobicContact CB-CB 4.41Å; V161-L370 HydrophobicContact CG1-CB 4.42Å; V161-E372 HydrophobicContact CG1-CG 4.22Å
162	T	84.2	Confident	82.3	Confident	12 Å²	12	49.9 Å²	49.9	7%	0.074	26%	0.257	C	S	.	.			trans	-94.8	159.9	179.6	48.8	0	0	0	0	112.4	D97 V100 N153 N317	D97-T162 HydrophobicContact CB-CG2 4.22Å; D97-T162 WeakPolarHBondContact OD1-CA 3.42Å; D97-T162 VanDerWaalsContact OD1-CB 3.3Å; D97-T162 WeakPolarHBondContact OD1-CB 3.35Å; V100-T162 HydrophobicContact CB-CG2 4.19Å; V100-T162 HydrophobicContact CG1-CG2 4.13Å; N153-T162 PolarHBondContact ND2-OG1 3.47Å; T162-N317 PolarHBondContact N-ND2 3.19Å; T162-N317 PolarHBondContact O-ND2 2.71Å
163	G	77.4	Confident	82.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-91.6	-19.4	173.9	0	0	0	0	0	114.2	D97 K381	D97-G163 PolarHBondContact OD1-N 2.71Å; D97-G163 PolarHBondContact OD2-N 2.88Å; G163-K381 PolarHBondContact O-NZ 3.06Å
164	G	75.8	Confident	83.7	Confident	11 Å²	11	44.9 Å²	44.9	11%	0.113	22%	0.223	C	C	.	.			trans	-72.6	123.8	166.7	0	0	0	0	0	111.5	D97 N153	D97-G164 PolarHBondContact OD2-N 2.88Å; N153-G164 WeakPolarHBondContact CB-O 3.34Å; N153-G164 PolarHBondContact ND2-O 2.82Å
165	R	75.5	Confident	84.4	Confident	32 Å²	32	39.5 Å²	39.5	12%	0.121	20%	0.202	C	C	.	.			trans	-126.8	-66	173.7	-56.7	-71.4	-70.7	127.9	7.3	110.4	D156 G167	D156-R165 VanDerWaalsContact CG-NH2 3.25Å; D156-R165 IonicContact OD1-CZ 2.66Å; D156-R165 VanDerWaalsContact OD1-CZ 3.23Å; D156-R165 IonicContact OD1-NH1 3.21Å; D156-R165 PolarHBondContact OD1-NH1 3.29Å; D156-R165 IonicContact OD1-NH2 3.08Å; D156-R165 PolarHBondContact OD1-NH2 3.41Å; D156-R165 IonicContact OD2-CZ 2.63Å; D156-R165 IonicContact OD2-NH2 3.97Å; D156-R165 PolarHBondContact OD2-NH2 2.84Å; R165-G167 PolarHBondContact O-N 2.86Å
166	N	77.6	Confident	85.1	Confident	82 Å²	82	35.8 Å²	35.8	44%	0.439	18%	0.182	S	C	.	.	S	Bend	trans	-85.1	5.3	-162.2	-54	-17.1	0	0	0	116.2	Y154 Y168 Q379	Y154-N166 PolarHBondContact OH-O 2.86Å; N166-Y168 VanDerWaalsContact C-N 3.3Å; N166-Y168 HydrophobicContact CB-CD2 3.93Å; N166-Y168 HydrophobicContact CB-CE2 4.47Å; N166-Y168 WeakPolarHBondContact O-CD2 3.49Å; N166-Y168 PolarHBondContact O-N 3.44Å; N166-Q379 PolarHBondContact ND2-OE1 2.99Å
167	G	80.7	Confident	85.9	Confident	10 Å²	10	31.8 Å²	31.8	10%	0.103	16%	0.16	C	C	.	.	S	Bend	trans	71	7.7	177	0	0	0	0	0	117.9	T150 R165 K171	T150-G167 VanDerWaalsContact O-CA 3.3Å; T150-G167 WeakPolarHBondContact O-CA 3.47Å; T150-G167 VanDerWaalsContact O-O 3.1Å; R165-G167 PolarHBondContact O-N 2.86Å; G167-K171 WeakPolarHBondContact O-CE 3.48Å; G167-K171 PolarHBondContact O-NZ 3.47Å
168	Y	84.5	Confident	86.6	Confident	42 Å²	42	31.2 Å²	31.2	17%	0.165	15%	0.148	C	C	.	.			trans	-89.7	-46.3	-177.4	-77.5	-84.6	0	0	0	115.4	Q41 Y52 L148 L149 N166 A170 K171 L172	Q41-Y168 PolarHBondContact NE2-OH 2.69Å; Q41-Y168 VanDerWaalsContact NE2-OH 3.09Å; Y52-Y168 HydrophobicContact CD1-CD1 4.38Å; Y52-Y168 HydrophobicContact CD1-CE1 4.2Å; Y52-Y168 HydrophobicContact CE1-CE1 4.01Å; L148-Y168 HydrophobicContact CD2-CD1 3.91Å; L148-Y168 HydrophobicContact CD2-CE1 4.2Å; L149-Y168 HydrophobicContact CD2-CE1 4.34Å; L149-Y168 HydrophobicContact CD2-CE2 3.85Å; N166-Y168 VanDerWaalsContact C-N 3.3Å; N166-Y168 HydrophobicContact CB-CD2 3.93Å; N166-Y168 HydrophobicContact CB-CE2 4.47Å; N166-Y168 WeakPolarHBondContact O-CD2 3.49Å; N166-Y168 PolarHBondContact O-N 3.44Å; Y168-A170 PolarHBondContact O-N 3.02Å; Y168-A170 VanDerWaalsContact O-N 3.16Å; Y168-K171 WeakPolarHBondContact O-CB 3.36Å; Y168-K171 PolarHBondContact O-N 3.2Å; Y168-L172 HydrophobicContact CD1-CD2 4.4Å; Y168-L172 PolarHBondContact O-N 2.93Å
169	G	84.6	Confident	87.4	Confident	7 Å²	7	29.7 Å²	29.7	7%	0.072	14%	0.139	C	C	.	.	H	α-helix	trans	-41	-59.9	-157	0	0	0	0	0	117.1	E90 K171 L172 C173	E90-G169 WeakPolarHBondContact OE2-CA 3.42Å; G169-K171 VanDerWaalsContact C-N 3.29Å; G169-K171 PolarHBondContact O-N 3.43Å; G169-L172 WeakPolarHBondContact O-CB 3.5Å; G169-L172 PolarHBondContact O-N 3.04Å; G169-L172 VanDerWaalsContact O-N 3.1Å; G169-C173 PolarHBondContact O-N 3.09Å
170	A	90.3	Very high	88.2	Confident	7 Å²	7	21.5 Å²	21.5	6%	0.058	11%	0.108	C	C	.	.	H	α-helix	trans	-62	-32.3	-178	0	0	0	0	0	114.1	I91 F145 Y168 C173 N174	I91-A170 HydrophobicContact CD1-CB 4.08Å; F145-A170 HydrophobicContact CD1-CB 3.71Å; F145-A170 HydrophobicContact CE1-CB 3.63Å; Y168-A170 PolarHBondContact O-N 3.02Å; Y168-A170 VanDerWaalsContact O-N 3.16Å; A170-C173 PolarHBondContact O-N 2.67Å; A170-N174 PolarHBondContact O-N 3.03Å; A170-N174 VanDerWaalsContact O-N 3.15Å
171	K	92.7	Very high	88.8	Confident	7 Å²	7	21 Å²	21	3%	0.03	11%	0.106	C	C	.	.	H	α-helix	trans	-73.5	-34.1	175.4	-80.7	71.1	59.1	168	0	111.8	I144 H147 L148 T150 G167 Y168 G169 C173 N174 I175 M201	I144-K171 WeakPolarHBondContact O-CD 3.45Å; I144-K171 PolarHBondContact O-NZ 2.96Å; H147-K171 WeakPolarHBondContact O-CD 3.45Å; H147-K171 VanDerWaalsContact O-CE 3.31Å; H147-K171 WeakPolarHBondContact O-CE 3.18Å; H147-K171 WeakPolarHBondContact O-CG 3.27Å; L148-K171 HydrophobicContact CD2-CB 3.78Å; L148-K171 HydrophobicContact CD2-CG 4.4Å; L148-K171 HydrophobicContact CG-CB 4.5Å; T150-K171 PolarHBondContact O-NZ 3.01Å; T150-K171 WeakPolarHBondContact OG1-CE 3.4Å; T150-K171 PolarHBondContact OG1-NZ 2.81Å; G167-K171 WeakPolarHBondContact O-CE 3.48Å; G167-K171 PolarHBondContact O-NZ 3.47Å; Y168-K171 WeakPolarHBondContact O-CB 3.36Å; Y168-K171 PolarHBondContact O-N 3.2Å; G169-K171 VanDerWaalsContact C-N 3.29Å; G169-K171 PolarHBondContact O-N 3.43Å; K171-C173 VanDerWaalsContact C-N 3.3Å; K171-C173 PolarHBondContact O-N 3.07Å; K171-N174 PolarHBondContact O-N 3.41Å; K171-I175 WeakPolarHBondContact O-CB 3.46Å; K171-I175 VanDerWaalsContact O-CG1 3.24Å; K171-I175 WeakPolarHBondContact O-CG1 3.33Å; K171-I175 PolarHBondContact O-N 2.92Å; K171-M201 HydrophobicContact CB-SD 4.26Å; K171-M201 HydrophobicContact CG-CE 4.48Å; K171-M201 HydrophobicContact CG-SD 4.07Å
172	L	92.2	Very high	89.2	Confident	2 Å²	2	19.8 Å²	19.8	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-62.9	-40.6	174.1	-62.6	175.3	0	0	0	110.5	I45 Y52 I53 I87 Y168 G169 N174 I175 F176	I45-L172 HydrophobicContact CD1-CD2 4.16Å; I45-L172 HydrophobicContact CG1-CD2 4.45Å; I45-L172 HydrophobicContact CG2-CD2 3.86Å; Y52-L172 HydrophobicContact CD1-CD2 4.43Å; Y52-L172 HydrophobicContact CG-CD2 4.38Å; Y52-L172 WeakPolarHBondContact O-CD1 3.24Å; I53-L172 HydrophobicContact CG2-CB 3.83Å; I53-L172 HydrophobicContact CG2-CD1 3.83Å; I53-L172 HydrophobicContact CG2-CG 4.27Å; I87-L172 HydrophobicContact CG2-CB 4.49Å; Y168-L172 HydrophobicContact CD1-CD2 4.4Å; Y168-L172 PolarHBondContact O-N 2.93Å; G169-L172 WeakPolarHBondContact O-CB 3.5Å; G169-L172 PolarHBondContact O-N 3.04Å; G169-L172 VanDerWaalsContact O-N 3.1Å; L172-N174 PolarHBondContact O-N 3.15Å; L172-I175 PolarHBondContact O-N 2.96Å; L172-F176 WeakPolarHBondContact O-CD2 3.38Å; L172-F176 PolarHBondContact O-N 2.83Å
173	C	94.4	Very high	89.8	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.3	-41.4	173.1	-168.1	0	0	0	0	112.9	I87 I91 G169 A170 K171 F176 S177 F180 F222	I87-C173 HydrophobicContact CB-CB 3.98Å; I87-C173 PolarHBondContact O-SG 3.04Å; I91-C173 HydrophobicContact CD1-CB 3.88Å; I91-C173 HydrophobicContact CG1-CB 3.91Å; G169-C173 PolarHBondContact O-N 3.09Å; A170-C173 PolarHBondContact O-N 2.67Å; K171-C173 VanDerWaalsContact C-N 3.3Å; K171-C173 PolarHBondContact O-N 3.07Å; C173-F176 CarbonylContact O-C 3.58Å; C173-F176 PolarHBondContact O-N 3.11Å; C173-S177 WeakPolarHBondContact O-CB 3.17Å; C173-S177 PolarHBondContact O-N 2.9Å; C173-S177 PolarHBondContact O-OG 2.84Å; C173-F180 HydrophobicContact CB-CE2 4.04Å; C173-F222 VanDerWaalsContact SG-CD2 3.5Å
174	N	95.5	Very high	90.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-63.4	-47.3	174.4	-165.4	-9.5	0	0	0	112.3	F145 A170 K171 L172 F176 S177 F180 W197 M201	F145-N174 PolarHBondContact O-ND2 3.5Å; A170-N174 PolarHBondContact O-N 3.03Å; A170-N174 VanDerWaalsContact O-N 3.15Å; K171-N174 PolarHBondContact O-N 3.41Å; L172-N174 PolarHBondContact O-N 3.15Å; N174-F176 VanDerWaalsContact C-N 3.33Å; N174-F176 PolarHBondContact O-N 3.5Å; N174-S177 PolarHBondContact O-N 2.99Å; N174-S177 VanDerWaalsContact O-N 3.12Å; N174-F180 HydrophobicContact CB-CB 4.31Å; N174-F180 HydrophobicContact CB-CD1 3.95Å; N174-F180 HydrophobicContact CB-CD2 4.03Å; N174-F180 HydrophobicContact CB-CE1 4.25Å; N174-F180 HydrophobicContact CB-CE2 4.33Å; N174-F180 HydrophobicContact CB-CG 3.85Å; N174-F180 HydrophobicContact CB-CZ 4.44Å; N174-F180 WeakPolarHBondContact OD1-CB 3.26Å; N174-W197 VanDerWaalsContact ND2-CG 3.34Å; N174-W197 VanDerWaalsContact OD1-CB 3.24Å; N174-W197 WeakPolarHBondContact OD1-CB 3.48Å; N174-M201 HydrophobicContact CB-CB 4.4Å; N174-M201 HydrophobicContact CB-CG 4.27Å; N174-M201 HydrophobicContact CB-SD 3.9Å; N174-M201 WeakPolarHBondContact ND2-CG 3.28Å
175	I	95	Very high	91.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.6	-39.1	177.6	-70.5	165.5	0	0	0	111.9	L42 I45 L46 L148 K171 L172 S177 N200 M201	L42-I175 HydrophobicContact CD1-CG1 4.44Å; L42-I175 HydrophobicContact CG-CD1 4.44Å; L42-I175 HydrophobicContact CG-CG1 4.48Å; I45-I175 HydrophobicContact CD1-CD1 4.04Å; I45-I175 HydrophobicContact CG2-CD1 4.35Å; I45-I175 HydrophobicContact CG2-CG2 3.92Å; L46-I175 HydrophobicContact CD2-CG2 3.48Å; L46-I175 VanDerWaalsContact CD2-CG2 3.48Å; L46-I175 HydrophobicContact CG-CG2 3.86Å; L148-I175 HydrophobicContact CD1-CD1 4.27Å; L148-I175 HydrophobicContact CD2-CD1 3.94Å; L148-I175 HydrophobicContact CG-CD1 4.33Å; K171-I175 WeakPolarHBondContact O-CB 3.46Å; K171-I175 VanDerWaalsContact O-CG1 3.24Å; K171-I175 WeakPolarHBondContact O-CG1 3.33Å; K171-I175 PolarHBondContact O-N 2.92Å; L172-I175 PolarHBondContact O-N 2.96Å; I175-S177 VanDerWaalsContact C-N 3.3Å; I175-S177 PolarHBondContact O-N 2.97Å; I175-N200 WeakPolarHBondContact O-CA 3.48Å; I175-N200 WeakPolarHBondContact O-CB 3.27Å; I175-N200 PolarHBondContact O-ND2 3.39Å; I175-M201 HydrophobicContact CD1-CE 3.82Å; I175-M201 HydrophobicContact CG1-CB 3.94Å; I175-M201 HydrophobicContact CG1-CE 3.7Å; I175-M201 HydrophobicContact CG1-SD 3.99Å
176	F	95	Very high	92.1	Very high	2 Å²	2	20 Å²	20	1%	0.009	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	22	177.3	-72.3	-83.7	0	0	0	114.1	I45 L46 P49 I53 T56 I87 L172 C173 N174 D225 F229	I45-F176 HydrophobicContact CG2-CE2 3.55Å; I45-F176 HydrophobicContact CG2-CZ 4.09Å; L46-F176 HydrophobicContact CD2-CD1 4.42Å; L46-F176 HydrophobicContact CD2-CE1 3.96Å; L46-F176 HydrophobicContact CD2-CZ 4Å; P49-F176 HydrophobicContact CB-CE1 4.17Å; P49-F176 HydrophobicContact CB-CZ 3.74Å; I53-F176 HydrophobicContact CD1-CD1 3.99Å; I53-F176 HydrophobicContact CD1-CD2 3.65Å; I53-F176 HydrophobicContact CD1-CE1 3.98Å; I53-F176 HydrophobicContact CD1-CE2 3.62Å; I53-F176 HydrophobicContact CD1-CG 3.85Å; I53-F176 HydrophobicContact CD1-CZ 3.81Å; I53-F176 HydrophobicContact CG1-CE2 4.28Å; T56-F176 HydrophobicContact CG2-CE1 4.33Å; I87-F176 HydrophobicContact CD1-CB 3.98Å; I87-F176 HydrophobicContact CG2-CB 4.28Å; L172-F176 WeakPolarHBondContact O-CD2 3.38Å; L172-F176 PolarHBondContact O-N 2.83Å; C173-F176 CarbonylContact O-C 3.58Å; C173-F176 PolarHBondContact O-N 3.11Å; N174-F176 VanDerWaalsContact C-N 3.33Å; N174-F176 PolarHBondContact O-N 3.5Å; F176-D225 PolarHBondContact O-N 3.44Å; F176-F229 HydrophobicContact CB-CE2 4.12Å; F176-F229 HydrophobicContact CB-CZ 3.74Å; F176-F229 HydrophobicContact CD1-CE1 4.34Å; F176-F229 AromaticContact CD1-CZ 3.92Å; F176-F229 HydrophobicContact CD1-CZ 3.92Å; F176-F229 HydrophobicContact CG-CZ 4.05Å
177	S	95.5	Very high	92.5	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.007	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.3	172.7	-66.5	0	0	0	0	112.2	C173 N174 I175 K179 N200 Y223	C173-S177 WeakPolarHBondContact O-CB 3.17Å; C173-S177 PolarHBondContact O-N 2.9Å; C173-S177 PolarHBondContact O-OG 2.84Å; N174-S177 PolarHBondContact O-N 2.99Å; N174-S177 VanDerWaalsContact O-N 3.12Å; I175-S177 VanDerWaalsContact C-N 3.3Å; I175-S177 PolarHBondContact O-N 2.97Å; S177-K179 VanDerWaalsContact C-N 3.3Å; S177-N200 PolarHBondContact O-N 3.02Å; S177-Y223 CarbonylContact C-O 3.41Å; S177-Y223 WeakPolarHBondContact CA-O 3.35Å; S177-Y223 WeakPolarHBondContact CB-O 3.4Å
178	K	94.7	Very high	92.8	Very high	112 Å²	112	24.9 Å²	24.9	49%	0.487	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-30	166.3	-74.1	177.3	179.4	-179.8	0	111.6	V198 D199 Y223 D225	K178-V198 VanDerWaalsContact O-CA 3.26Å; K178-V198 WeakPolarHBondContact O-CA 3.49Å; K178-V198 WeakPolarHBondContact O-CB 3.3Å; K178-D199 PolarHBondContact O-N 3.5Å; K178-D199 VanDerWaalsContact O-N 3.09Å; K178-Y223 PolarHBondContact N-O 2.89Å; K178-D225 WeakPolarHBondContact CE-OD1 3.38Å; K178-D225 HydrophobicContact CG-CB 3.95Å
179	K	96.6	Very high	93	Very high	79 Å²	79	26.6 Å²	26.6	34%	0.343	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	129.5	-178.7	-179.8	-177.7	177.9	-164.6	0	109.3	S177 I181 V196 W197 V198 F222 Y223	S177-K179 VanDerWaalsContact C-N 3.3Å; K179-I181 HydrophobicContact CG-CG1 4.47Å; K179-V196 HydrophobicContact CG-CG1 4.17Å; K179-W197 CarbonylContact C-O 3.53Å; K179-W197 WeakPolarHBondContact CA-O 3.26Å; K179-V198 HydrophobicContact CB-CG1 4.39Å; K179-V198 HydrophobicContact CG-CG1 4.31Å; K179-F222 WeakPolarHBondContact O-CA 3.39Å; K179-Y223 HydrophobicContact CB-CD2 3.85Å; K179-Y223 HydrophobicContact CB-CG 4.22Å; K179-Y223 HydrophobicContact CD-CD2 3.82Å; K179-Y223 HydrophobicContact CD-CE2 3.81Å; K179-Y223 HydrophobicContact CD-CG 4.42Å; K179-Y223 HydrophobicContact CG-CD2 3.93Å; K179-Y223 HydrophobicContact CG-CE2 4.25Å; K179-Y223 PolarHBondContact O-N 2.77Å
180	F	97.3	Very high	93.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.7	-178.4	-172.8	-90	0	0	0	109	I91 F145 C173 N174 V182 V196 W197 I220 F222	I91-F180 HydrophobicContact CD1-CE2 4.34Å; I91-F180 HydrophobicContact CD1-CZ 4.32Å; F145-F180 HydrophobicContact CB-CE1 4.27Å; F145-F180 AromaticContact CD1-CE1 3.69Å; F145-F180 HydrophobicContact CD1-CE1 3.69Å; F145-F180 AromaticContact CD1-CZ 3.82Å; F145-F180 HydrophobicContact CD1-CZ 3.82Å; F145-F180 HydrophobicContact CE1-CZ 4.32Å; F145-F180 HydrophobicContact CG-CE1 4.32Å; C173-F180 HydrophobicContact CB-CE2 4.04Å; N174-F180 HydrophobicContact CB-CB 4.31Å; N174-F180 HydrophobicContact CB-CD1 3.95Å; N174-F180 HydrophobicContact CB-CD2 4.03Å; N174-F180 HydrophobicContact CB-CE1 4.25Å; N174-F180 HydrophobicContact CB-CE2 4.33Å; N174-F180 HydrophobicContact CB-CG 3.85Å; N174-F180 HydrophobicContact CB-CZ 4.44Å; N174-F180 WeakPolarHBondContact OD1-CB 3.26Å; F180-V182 HydrophobicContact CD1-CG2 4.09Å; F180-V182 HydrophobicContact CE1-CG2 3.57Å; F180-V196 CarbonylContact O-C 3.58Å; F180-V196 WeakPolarHBondContact O-CA 3.47Å; F180-W197 HydrophobicContact CB-CB 4.37Å; F180-W197 HydrophobicContact CD1-CE3 4.17Å; F180-W197 PolarHBondContact N-O 2.93Å; F180-W197 PolarHBondContact O-N 3.34Å; F180-I220 HydrophobicContact CD2-CG2 4.48Å; F180-I220 HydrophobicContact CE1-CG2 4.25Å; F180-I220 HydrophobicContact CE2-CG2 3.59Å; F180-I220 HydrophobicContact CZ-CG2 3.45Å; F180-I220 VanDerWaalsContact CZ-CG2 3.45Å; F180-F222 HydrophobicContact CD2-CB 3.61Å; F180-F222 HydrophobicContact CE2-CB 4.13Å
181	I	97.3	Very high	93.4	Very high	9 Å²	9	37 Å²	37	5%	0.046	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.6	-173.8	-49.4	177.3	0	0	0	108.4	K179 E183 V196 I220 T221 Y223	K179-I181 HydrophobicContact CG-CG1 4.47Å; I181-E183 HydrophobicContact CG2-CG 4.01Å; I181-V196 HydrophobicContact CG1-CG1 4.31Å; I181-V196 HydrophobicContact CG1-CG2 4.27Å; I181-V196 HydrophobicContact CG2-CG2 4.28Å; I181-I220 WeakPolarHBondContact O-CA 3.41Å; I181-T221 WeakPolarHBondContact CB-O 3.22Å; I181-T221 HydrophobicContact CD1-CG2 4.41Å; I181-T221 PolarHBondContact N-O 3.06Å; I181-T221 PolarHBondContact O-N 2.66Å; I181-Y223 HydrophobicContact CD1-CE2 4.3Å
182	V	96.7	Very high	93.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.1	169.4	-179	0	0	0	0	108.2	I128 F145 F180 F193 R194 Q195 W197 I220	I128-V182 HydrophobicContact CD1-CG1 4.38Å; F145-V182 HydrophobicContact CB-CG2 3.81Å; F145-V182 HydrophobicContact CD1-CG2 3.88Å; F145-V182 HydrophobicContact CD2-CG1 4.08Å; F145-V182 HydrophobicContact CD2-CG2 3.95Å; F145-V182 HydrophobicContact CE1-CG2 4.48Å; F145-V182 HydrophobicContact CE2-CG1 4.22Å; F145-V182 HydrophobicContact CG-CG2 3.59Å; F180-V182 HydrophobicContact CD1-CG2 4.09Å; F180-V182 HydrophobicContact CE1-CG2 3.57Å; V182-F193 HydrophobicContact CG1-CD1 4.49Å; V182-F193 HydrophobicContact CG1-CE1 4.39Å; V182-R194 VanDerWaalsContact O-CA 3.3Å; V182-R194 WeakPolarHBondContact O-CA 3.34Å; V182-Q195 PolarHBondContact N-O 2.97Å; V182-Q195 PolarHBondContact O-N 3.42Å; V182-W197 HydrophobicContact CB-CZ3 4.01Å; V182-W197 HydrophobicContact CG2-CE3 4.36Å; V182-W197 HydrophobicContact CG2-CH2 4.21Å; V182-W197 HydrophobicContact CG2-CZ3 3.55Å; V182-I220 HydrophobicContact CB-CD1 4.36Å; V182-I220 HydrophobicContact CG1-CD1 4.14Å; V182-I220 HydrophobicContact CG2-CD1 3.96Å
183	E	95.6	Very high	93.5	Very high	50 Å²	50	37.9 Å²	37.9	23%	0.234	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.2	173.9	-76.9	163.5	159.6	0	0	108.4	I181 F193 R194 F217 C219	I181-E183 HydrophobicContact CG2-CG 4.01Å; E183-F193 WeakPolarHBondContact CA-O 3.17Å; E183-R194 HydrophobicContact CG-CB 4.23Å; E183-R194 HydrophobicContact CG-CG 3.77Å; E183-R194 IonicContact OE1-CZ 3.39Å; E183-R194 IonicContact OE1-NE 2.6Å; E183-R194 PolarHBondContact OE1-NE 3.11Å; E183-R194 IonicContact OE1-NH2 3.73Å; E183-R194 PolarHBondContact OE1-NH2 3.13Å; E183-F217 HydrophobicContact CB-CE2 4.4Å; E183-C219 HydrophobicContact CB-CB 3.97Å; E183-C219 PolarHBondContact N-O 3.4Å; E183-C219 WeakPolarHBondContact O-CA 3.33Å; E183-C219 WeakPolarHBondContact O-CB 3.23Å; E183-C219 PolarHBondContact O-N 3.01Å; E183-C219 VanDerWaalsContact O-O 3.12Å
184	T	94.7	Very high	93.6	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	149.1	-179.7	-176.6	0	0	0	0	110.7	I128 V130 P141 S192 F193 F217 T218	I128-T184 HydrophobicContact CB-CG2 4.18Å; I128-T184 HydrophobicContact CD1-CG2 3.98Å; I128-T184 PolarHBondContact N-OG1 2.91Å; V130-T184 HydrophobicContact CG2-CG2 4.4Å; P141-T184 HydrophobicContact CG-CG2 4.4Å; T184-S192 CarbonylContact O-C 3.48Å; T184-S192 VanDerWaalsContact O-CA 3.26Å; T184-S192 WeakPolarHBondContact O-CA 3.27Å; T184-S192 WeakPolarHBondContact O-CB 3.33Å; T184-F193 HydrophobicContact CG2-CB 3.93Å; T184-F193 HydrophobicContact CG2-CD1 4.29Å; T184-F193 HydrophobicContact CG2-CG 4.48Å; T184-F193 PolarHBondContact N-O 3.23Å; T184-F193 PolarHBondContact O-N 2.78Å; T184-F217 WeakPolarHBondContact CA-O 3.42Å; T184-F217 WeakPolarHBondContact CB-O 3.32Å; T184-F217 PolarHBondContact OG1-O 3.25Å; T184-T218 PolarHBondContact OG1-OG1 3.38Å
185	S	93.1	Very high	93.7	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.3	169.5	-165.6	0	0	0	0	110.4	D212 F217	S185-D212 WeakPolarHBondContact CB-OD2 3.04Å; S185-D212 PolarHBondContact OG-OD2 3.28Å; S185-F217 PolarHBondContact N-O 3.08Å; S185-F217 VanDerWaalsContact N-O 3.11Å; S185-F217 PolarHBondContact O-N 3.13Å
186	S	89.5	Confident	93.7	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	112.8	175.8	-169.9	0	0	0	0	112.4	E188 Y189 K190 K191 D216	S186-E188 VanDerWaalsContact C-N 3.27Å; S186-E188 PolarHBondContact O-N 2.91Å; S186-Y189 CarbonylContact O-C 3.58Å; S186-Y189 PolarHBondContact O-N 3.12Å; S186-Y189 WeakPolarHBondContact OG-CD2 3.37Å; S186-K190 WeakPolarHBondContact O-CA 3.36Å; S186-K190 PolarHBondContact O-N 3.24Å; S186-K191 PolarHBondContact N-O 3.25Å; S186-K191 PolarHBondContact O-N 2.98Å; S186-D216 VanDerWaalsContact CA-OD1 3.25Å; S186-D216 WeakPolarHBondContact CA-OD1 3.47Å
187	K	86.7	Confident	93.8	Very high	86 Å²	86	44 Å²	44	37%	0.374	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-38.7	172.6	-75.7	175.1	160.5	173.7	0	112.8	Y189 K190 G214 E215 D216	K187-Y189 VanDerWaalsContact C-N 3.32Å; K187-Y189 PolarHBondContact O-N 3.37Å; K187-K190 WeakPolarHBondContact O-CG 3.48Å; K187-K190 PolarHBondContact O-N 3.25Å; K187-G214 WeakPolarHBondContact CE-O 3.3Å; K187-G214 VanDerWaalsContact CG-O 3.29Å; K187-G214 WeakPolarHBondContact CG-O 3.42Å; K187-E215 IonicContact NZ-OE1 2.7Å; K187-E215 PolarHBondContact NZ-OE1 3.42Å; K187-E215 IonicContact NZ-OE2 2.65Å; K187-E215 PolarHBondContact NZ-OE2 2.84Å; K187-D216 WeakPolarHBondContact CB-OD1 3.41Å; K187-D216 WeakPolarHBondContact CG-OD1 3.35Å; K187-D216 PolarHBondContact N-OD1 3.31Å
188	E	87.2	Confident	93.8	Very high	109 Å²	109	46.3 Å²	46.3	51%	0.509	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-41.1	179.1	-166.2	178	116.7	0	0	111.1	K126 S186	K126-E188 IonicContact NZ-OE2 3.16Å; K126-E188 PolarHBondContact NZ-OE2 2.88Å; K126-E188 VanDerWaalsContact NZ-OE2 3.16Å; S186-E188 VanDerWaalsContact C-N 3.27Å; S186-E188 PolarHBondContact O-N 2.91Å
189	Y	89.4	Confident	93.7	Very high	78 Å²	78	44.2 Å²	44.2	31%	0.306	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-1.9	-179.5	-59.9	-87	0	0	0	113.7	P129 V131 S186 K187 K191	P129-Y189 HydrophobicContact CB-CD2 4.03Å; P129-Y189 HydrophobicContact CB-CE2 3.61Å; P129-Y189 HydrophobicContact CG-CE2 4.1Å; V131-Y189 HydrophobicContact CB-CD1 3.95Å; V131-Y189 HydrophobicContact CB-CE1 3.97Å; V131-Y189 HydrophobicContact CG1-CE1 4.37Å; V131-Y189 HydrophobicContact CG2-CD1 4.4Å; V131-Y189 HydrophobicContact CG2-CE1 4.26Å; S186-Y189 CarbonylContact O-C 3.58Å; S186-Y189 PolarHBondContact O-N 3.12Å; S186-Y189 WeakPolarHBondContact OG-CD2 3.37Å; K187-Y189 VanDerWaalsContact C-N 3.32Å; K187-Y189 PolarHBondContact O-N 3.37Å; Y189-K191 WeakPolarHBondContact O-CG 3.23Å; Y189-K191 PolarHBondContact O-N 3.14Å
190	K	89.9	Confident	93.6	Very high	152 Å²	152	41.4 Å²	41.4	66%	0.661	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	37.8	179.8	-59.1	176.9	-175.9	171.2	0	113.7	S186 K187 D212	S186-K190 WeakPolarHBondContact O-CA 3.36Å; S186-K190 PolarHBondContact O-N 3.24Å; K187-K190 WeakPolarHBondContact O-CG 3.48Å; K187-K190 PolarHBondContact O-N 3.25Å; K190-D212 CarbonylContact C-O 3.24Å; K190-D212 VanDerWaalsContact C-O 3.24Å; K190-D212 WeakPolarHBondContact CA-O 3.41Å; K190-D212 PolarHBondContact O-N 2.8Å
191	K	92.8	Very high	93.4	Very high	81 Å²	81	42.3 Å²	42.3	35%	0.352	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	143.6	-172.4	-74.8	168.6	-173.7	174.7	0	111.3	V130 S186 Y189 I209 L210	V130-K191 HydrophobicContact CB-CB 3.85Å; V130-K191 HydrophobicContact CB-CD 4.48Å; V130-K191 HydrophobicContact CG1-CB 3.8Å; V130-K191 HydrophobicContact CG1-CD 4.11Å; V130-K191 HydrophobicContact CG2-CB 4.41Å; S186-K191 PolarHBondContact N-O 3.25Å; S186-K191 PolarHBondContact O-N 2.98Å; Y189-K191 WeakPolarHBondContact O-CG 3.23Å; Y189-K191 PolarHBondContact O-N 3.14Å; K191-I209 HydrophobicContact CB-CG2 4.38Å; K191-I209 HydrophobicContact CD-CG2 4.08Å; K191-I209 HydrophobicContact CG-CG2 4.24Å; K191-L210 CarbonylContact C-O 3.53Å; K191-L210 VanDerWaalsContact CA-O 3.23Å; K191-L210 WeakPolarHBondContact CA-O 3.26Å
192	S	92.4	Very high	93	Very high	23 Å²	23	46.1 Å²	46.1	16%	0.161	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	154.3	160.5	57.3	0	0	0	0	111	T184 I209 L210 D212	T184-S192 CarbonylContact O-C 3.48Å; T184-S192 VanDerWaalsContact O-CA 3.26Å; T184-S192 WeakPolarHBondContact O-CA 3.27Å; T184-S192 WeakPolarHBondContact O-CB 3.33Å; S192-I209 WeakPolarHBondContact O-CA 3.47Å; S192-L210 PolarHBondContact N-O 3.09Å; S192-L210 PolarHBondContact O-N 3.06Å; S192-D212 WeakPolarHBondContact CB-OD2 3.42Å
193	F	95.2	Very high	92.7	Very high	5 Å²	5	51.9 Å²	51.9	2%	0.022	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.1	-174.4	173.2	-78.1	0	0	0	109.6	V130 Y139 P141 T142 V182 E183 T184 Q195 P207 K208 I209	V130-F193 HydrophobicContact CB-CB 4.49Å; V130-F193 HydrophobicContact CG1-CB 3.87Å; V130-F193 HydrophobicContact CG1-CD2 4.25Å; V130-F193 HydrophobicContact CG2-CB 3.75Å; Y139-F193 HydrophobicContact CG-CE2 4.49Å; P141-F193 HydrophobicContact CB-CD1 3.72Å; P141-F193 HydrophobicContact CB-CD2 4.26Å; P141-F193 HydrophobicContact CB-CE1 3.51Å; P141-F193 HydrophobicContact CB-CE2 4.04Å; P141-F193 HydrophobicContact CB-CG 4.11Å; P141-F193 HydrophobicContact CB-CZ 3.67Å; P141-F193 HydrophobicContact CG-CD1 4.06Å; P141-F193 HydrophobicContact CG-CD2 4.01Å; P141-F193 HydrophobicContact CG-CE1 4.26Å; P141-F193 HydrophobicContact CG-CE2 4.17Å; P141-F193 HydrophobicContact CG-CG 3.96Å; P141-F193 HydrophobicContact CG-CZ 4.3Å; T142-F193 WeakPolarHBondContact OG1-CZ 3.39Å; V182-F193 HydrophobicContact CG1-CD1 4.49Å; V182-F193 HydrophobicContact CG1-CE1 4.39Å; E183-F193 WeakPolarHBondContact CA-O 3.17Å; T184-F193 HydrophobicContact CG2-CB 3.93Å; T184-F193 HydrophobicContact CG2-CD1 4.29Å; T184-F193 HydrophobicContact CG2-CG 4.48Å; T184-F193 PolarHBondContact N-O 3.23Å; T184-F193 PolarHBondContact O-N 2.78Å; F193-Q195 HydrophobicContact CE1-CB 3.54Å; F193-Q195 HydrophobicContact CZ-CB 3.6Å; F193-P207 HydrophobicContact CD2-CB 4.15Å; F193-P207 HydrophobicContact CE2-CB 3.38Å; F193-P207 HydrophobicContact CZ-CB 3.81Å; F193-K208 CarbonylContact C-O 3.53Å; F193-I209 HydrophobicContact CD2-CD1 4.14Å; F193-I209 HydrophobicContact CD2-CG1 3.88Å
194	R	96.3	Very high	92.6	Very high	90 Å²	90	53.1 Å²	53.1	34%	0.34	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	121.7	174.4	-178.8	-179.8	-152.4	-67.2	-11.9	111.6	V182 E183 K208	V182-R194 VanDerWaalsContact O-CA 3.3Å; V182-R194 WeakPolarHBondContact O-CA 3.34Å; E183-R194 HydrophobicContact CG-CB 4.23Å; E183-R194 HydrophobicContact CG-CG 3.77Å; E183-R194 IonicContact OE1-CZ 3.39Å; E183-R194 IonicContact OE1-NE 2.6Å; E183-R194 PolarHBondContact OE1-NE 3.11Å; E183-R194 IonicContact OE1-NH2 3.73Å; E183-R194 PolarHBondContact OE1-NH2 3.13Å; R194-K208 HydrophobicContact CB-CB 4.31Å; R194-K208 PolarHBondContact N-O 3.49Å; R194-K208 PolarHBondContact O-N 3.45Å
195	Q	96.1	Very high	92.4	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.023	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.9	174.2	-169.3	169.5	24	0	0	110.9	T142 V182 F193 W197 T204 S205	T142-Q195 PolarHBondContact OG1-OE1 3.32Å; V182-Q195 PolarHBondContact N-O 2.97Å; V182-Q195 PolarHBondContact O-N 3.42Å; F193-Q195 HydrophobicContact CE1-CB 3.54Å; F193-Q195 HydrophobicContact CZ-CB 3.6Å; Q195-W197 HydrophobicContact CB-CE3 4.46Å; Q195-W197 HydrophobicContact CB-CH2 3.88Å; Q195-W197 HydrophobicContact CB-CZ3 3.71Å; Q195-W197 HydrophobicContact CG-CE3 4.24Å; Q195-W197 HydrophobicContact CG-CH2 3.81Å; Q195-W197 HydrophobicContact CG-CZ2 4.22Å; Q195-W197 HydrophobicContact CG-CZ3 3.81Å; Q195-T204 PolarHBondContact NE2-OG1 2.79Å; Q195-S205 WeakPolarHBondContact CG-O 3.47Å; Q195-S205 PolarHBondContact NE2-O 3.23Å
196	V	96.7	Very high	92.3	Very high	26 Å²	26	61.9 Å²	61.9	16%	0.158	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.5	-179.5	-175.4	0	0	0	0	109.8	K179 F180 I181 V198 T204 S205	K179-V196 HydrophobicContact CG-CG1 4.17Å; F180-V196 CarbonylContact O-C 3.58Å; F180-V196 WeakPolarHBondContact O-CA 3.47Å; I181-V196 HydrophobicContact CG1-CG1 4.31Å; I181-V196 HydrophobicContact CG1-CG2 4.27Å; I181-V196 HydrophobicContact CG2-CG2 4.28Å; V196-V198 HydrophobicContact CG1-CG1 4.21Å; V196-T204 CarbonylContact O-C 3.58Å; V196-T204 WeakPolarHBondContact O-CA 3.45Å; V196-T204 PolarHBondContact O-OG1 3.28Å; V196-S205 PolarHBondContact N-OG 3.41Å; V196-S205 VanDerWaalsContact N-OG 3.12Å; V196-S205 PolarHBondContact O-N 2.83Å
197	W	97	Very high	92.4	Very high	9 Å²	9	63.5 Å²	63.5	3%	0.034	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	149.1	166.2	-67.5	-104.5	0	0	0	109.9	T142 F145 N174 K179 F180 V182 Q195 K203 T204	T142-W197 HydrophobicContact CG2-CZ2 4.33Å; F145-W197 HydrophobicContact CB-CH2 4.1Å; F145-W197 HydrophobicContact CB-CZ2 4.49Å; F145-W197 HydrophobicContact CB-CZ3 4.48Å; N174-W197 VanDerWaalsContact ND2-CG 3.34Å; N174-W197 VanDerWaalsContact OD1-CB 3.24Å; N174-W197 WeakPolarHBondContact OD1-CB 3.48Å; K179-W197 CarbonylContact C-O 3.53Å; K179-W197 WeakPolarHBondContact CA-O 3.26Å; F180-W197 HydrophobicContact CB-CB 4.37Å; F180-W197 HydrophobicContact CD1-CE3 4.17Å; F180-W197 PolarHBondContact N-O 2.93Å; F180-W197 PolarHBondContact O-N 3.34Å; V182-W197 HydrophobicContact CB-CZ3 4.01Å; V182-W197 HydrophobicContact CG2-CE3 4.36Å; V182-W197 HydrophobicContact CG2-CH2 4.21Å; V182-W197 HydrophobicContact CG2-CZ3 3.55Å; Q195-W197 HydrophobicContact CB-CE3 4.46Å; Q195-W197 HydrophobicContact CB-CH2 3.88Å; Q195-W197 HydrophobicContact CB-CZ3 3.71Å; Q195-W197 HydrophobicContact CG-CE3 4.24Å; Q195-W197 HydrophobicContact CG-CH2 3.81Å; Q195-W197 HydrophobicContact CG-CZ2 4.22Å; Q195-W197 HydrophobicContact CG-CZ3 3.81Å; W197-K203 VanDerWaalsContact CA-O 3.3Å; W197-K203 WeakPolarHBondContact CA-O 3.25Å; W197-T204 PolarHBondContact NE1-OG1 3.06Å
198	V	95.2	Very high	92.7	Very high	50 Å²	50	66.4 Å²	66.4	30%	0.303	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	169	173.1	-59.5	0	0	0	0	110.6	K178 K179 V196 K203	K178-V198 VanDerWaalsContact O-CA 3.26Å; K178-V198 WeakPolarHBondContact O-CA 3.49Å; K178-V198 WeakPolarHBondContact O-CB 3.3Å; K179-V198 HydrophobicContact CB-CG1 4.39Å; K179-V198 HydrophobicContact CG-CG1 4.31Å; V196-V198 HydrophobicContact CG1-CG1 4.21Å; V198-K203 HydrophobicContact CG2-CB 3.74Å; V198-K203 HydrophobicContact CG2-CD 4.26Å; V198-K203 PolarHBondContact N-O 3.03Å; V198-K203 PolarHBondContact O-N 2.97Å
199	D	92.2	Very high	92.9	Very high	69 Å²	69	63.4 Å²	63.4	37%	0.369	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	62.4	175.7	-59.4	-17.8	0	0	0	112.5	K178 M201 T202 K203	K178-D199 PolarHBondContact O-N 3.5Å; K178-D199 VanDerWaalsContact O-N 3.09Å; D199-M201 PolarHBondContact O-N 3.34Å; D199-T202 WeakPolarHBondContact O-CB 3.27Å; D199-T202 WeakPolarHBondContact O-CG2 3.26Å; D199-T202 PolarHBondContact O-N 3.09Å; D199-T202 PolarHBondContact O-OG1 3.44Å; D199-K203 HydrophobicContact CB-CD 4.44Å; D199-K203 WeakPolarHBondContact OD2-CD 3.47Å; D199-K203 VanDerWaalsContact OD2-CE 3.31Å; D199-K203 WeakPolarHBondContact OD2-CE 3.41Å; D199-K203 IonicContact OD2-NZ 2.68Å; D199-K203 PolarHBondContact OD2-NZ 2.78Å
200	N	93.7	Very high	93	Very high	19 Å²	19	65.4 Å²	65.4	10%	0.102	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	43.5	174.1	-51.7	117	0	0	0	114.1	L46 I175 S177 T202 D225 R228	L46-N200 HydrophobicContact CD1-CB 4.2Å; I175-N200 WeakPolarHBondContact O-CA 3.48Å; I175-N200 WeakPolarHBondContact O-CB 3.27Å; I175-N200 PolarHBondContact O-ND2 3.39Å; S177-N200 PolarHBondContact O-N 3.02Å; N200-T202 PolarHBondContact O-N 3.19Å; N200-D225 PolarHBondContact ND2-OD2 3.1Å; N200-D225 PolarHBondContact OD1-OD2 3.33Å; N200-R228 PolarHBondContact ND2-NE 3.33Å; N200-R228 VanDerWaalsContact ND2-NE 3.18Å; N200-R228 PolarHBondContact OD1-NE 3.41Å; N200-R228 PolarHBondContact OD1-NH2 3.48Å
201	M	92.8	Very high	93	Very high	20 Å²	20	62.8 Å²	62.8	10%	0.099	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	5.9	-175.5	-158.8	173.6	79.7	0	0	115	L42 G146 L148 K171 N174 I175 D199	L42-M201 HydrophobicContact CD1-CE 4.12Å; G146-M201 VanDerWaalsContact O-CE 3.31Å; G146-M201 WeakPolarHBondContact O-CE 3.17Å; L148-M201 HydrophobicContact CG-CE 4.46Å; K171-M201 HydrophobicContact CB-SD 4.26Å; K171-M201 HydrophobicContact CG-CE 4.48Å; K171-M201 HydrophobicContact CG-SD 4.07Å; N174-M201 HydrophobicContact CB-CB 4.4Å; N174-M201 HydrophobicContact CB-CG 4.27Å; N174-M201 HydrophobicContact CB-SD 3.9Å; N174-M201 WeakPolarHBondContact ND2-CG 3.28Å; I175-M201 HydrophobicContact CD1-CE 3.82Å; I175-M201 HydrophobicContact CG1-CB 3.94Å; I175-M201 HydrophobicContact CG1-CE 3.7Å; I175-M201 HydrophobicContact CG1-SD 3.99Å; D199-M201 PolarHBondContact O-N 3.34Å
202	T	89.9	Confident	92.6	Very high	89 Å²	89	61 Å²	61	55%	0.546	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-19.9	-178.5	65.8	0	0	0	0	114.2	L42 D199 N200	L42-T202 HydrophobicContact CD2-CG2 4.44Å; D199-T202 WeakPolarHBondContact O-CB 3.27Å; D199-T202 WeakPolarHBondContact O-CG2 3.26Å; D199-T202 PolarHBondContact O-N 3.09Å; D199-T202 PolarHBondContact O-OG1 3.44Å; N200-T202 PolarHBondContact O-N 3.19Å
203	K	91	Very high	92	Very high	121 Å²	121	69.4 Å²	69.4	53%	0.526	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.2	177.5	-61.9	172.5	-168.3	162.6	0	110.2	W197 V198 D199	W197-K203 VanDerWaalsContact CA-O 3.3Å; W197-K203 WeakPolarHBondContact CA-O 3.25Å; V198-K203 HydrophobicContact CG2-CB 3.74Å; V198-K203 HydrophobicContact CG2-CD 4.26Å; V198-K203 PolarHBondContact N-O 3.03Å; V198-K203 PolarHBondContact O-N 2.97Å; D199-K203 HydrophobicContact CB-CD 4.44Å; D199-K203 WeakPolarHBondContact OD2-CD 3.47Å; D199-K203 VanDerWaalsContact OD2-CE 3.31Å; D199-K203 WeakPolarHBondContact OD2-CE 3.41Å; D199-K203 IonicContact OD2-NZ 2.68Å; D199-K203 PolarHBondContact OD2-NZ 2.78Å
204	T	91.8	Very high	91.4	Very high	76 Å²	76	70.6 Å²	70.6	47%	0.466	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	151.9	176.7	-163.4	0	0	0	0	111.4	Q195 V196 W197	Q195-T204 PolarHBondContact NE2-OG1 2.79Å; V196-T204 CarbonylContact O-C 3.58Å; V196-T204 WeakPolarHBondContact O-CA 3.45Å; V196-T204 PolarHBondContact O-OG1 3.28Å; W197-T204 PolarHBondContact NE1-OG1 3.06Å
205	S	91.4	Very high	91.1	Very high	44 Å²	44	72.8 Å²	72.8	31%	0.308	40%	0.395	S	S	.	.			trans	-79.7	161.5	168.9	77.8	0	0	0	0	110.7	Q195 V196	Q195-S205 WeakPolarHBondContact CG-O 3.47Å; Q195-S205 PolarHBondContact NE2-O 3.23Å; V196-S205 PolarHBondContact N-OG 3.41Å; V196-S205 VanDerWaalsContact N-OG 3.12Å; V196-S205 PolarHBondContact O-N 2.83Å
206	D	90.9	Very high	90.9	Very high	141 Å²	141	73.8 Å²	73.8	75%	0.754	40%	0.401	S	S	*	.			trans	-57.9	147.1	160.9	-61.9	-60.2	0	0	0	110.9	K208	D206-K208 PolarHBondContact O-N 3.22Å
207	P	91.7	Very high	90.8	Very high	41 Å²	41	75 Å²	75	27%	0.266	40%	0.404	S	S	.	.			trans	-74.5	115.2	177.3	29.4	-33.2	0	0	0	110.6	Y139 F193 I209	Y139-P207 HydrophobicContact CD2-CG 4.1Å; Y139-P207 HydrophobicContact CE2-CG 4.49Å; F193-P207 HydrophobicContact CD2-CB 4.15Å; F193-P207 HydrophobicContact CE2-CB 3.38Å; F193-P207 HydrophobicContact CZ-CB 3.81Å; P207-I209 HydrophobicContact CB-CD1 4.49Å; P207-I209 HydrophobicContact CB-CG1 4.42Å; P207-I209 PolarHBondContact O-N 2.9Å
208	K	92.5	Very high	90.7	Very high	146 Å²	146	75.1 Å²	75.1	64%	0.635	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	111.3	171.9	-63.7	-170.8	177.8	-169.3	0	108.8	F193 R194 D206	F193-K208 CarbonylContact C-O 3.53Å; R194-K208 HydrophobicContact CB-CB 4.31Å; R194-K208 PolarHBondContact N-O 3.49Å; R194-K208 PolarHBondContact O-N 3.45Å; D206-K208 PolarHBondContact O-N 3.22Å
209	I	91.6	Very high	90.8	Very high	47 Å²	47	73 Å²	73	24%	0.241	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.1	-179.8	-62	175.1	0	0	0	108.7	V130 Y139 K191 S192 F193 P207	V130-I209 HydrophobicContact CG1-CD1 4.33Å; V130-I209 HydrophobicContact CG1-CG1 4.41Å; V130-I209 HydrophobicContact CG1-CG2 4.12Å; Y139-I209 HydrophobicContact CD1-CD1 3.77Å; Y139-I209 HydrophobicContact CD2-CD1 3.86Å; Y139-I209 HydrophobicContact CE1-CD1 3.44Å; Y139-I209 VanDerWaalsContact CE1-CD1 3.44Å; Y139-I209 HydrophobicContact CE2-CD1 3.52Å; Y139-I209 HydrophobicContact CG-CD1 3.97Å; K191-I209 HydrophobicContact CB-CG2 4.38Å; K191-I209 HydrophobicContact CD-CG2 4.08Å; K191-I209 HydrophobicContact CG-CG2 4.24Å; S192-I209 WeakPolarHBondContact O-CA 3.47Å; F193-I209 HydrophobicContact CD2-CD1 4.14Å; F193-I209 HydrophobicContact CD2-CG1 3.88Å; P207-I209 HydrophobicContact CB-CD1 4.49Å; P207-I209 HydrophobicContact CB-CG1 4.42Å; P207-I209 PolarHBondContact O-N 2.9Å
210	L	92.1	Very high	91	Very high	119 Å²	119	70.1 Å²	70.1	62%	0.623	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	152.6	178.4	-60	175.4	0	0	0	109.4	K191 S192	K191-L210 CarbonylContact C-O 3.53Å; K191-L210 VanDerWaalsContact CA-O 3.23Å; K191-L210 WeakPolarHBondContact CA-O 3.26Å; S192-L210 PolarHBondContact N-O 3.09Å; S192-L210 PolarHBondContact O-N 3.06Å
211	A	89.5	Confident	91.2	Very high	98 Å²	98	69.7 Å²	69.7	81%	0.81	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	132.1	167.4	0	0	0	0	0	109
212	D	84.8	Confident	91.4	Very high	44 Å²	44	68.8 Å²	68.8	24%	0.235	37%	0.371	C	S	.	.			trans	-138.7	150.1	-175.6	-163.2	2	0	0	0	111.9	S185 K190 S192 G214	S185-D212 WeakPolarHBondContact CB-OD2 3.04Å; S185-D212 PolarHBondContact OG-OD2 3.28Å; K190-D212 CarbonylContact C-O 3.24Å; K190-D212 VanDerWaalsContact C-O 3.24Å; K190-D212 WeakPolarHBondContact CA-O 3.41Å; K190-D212 PolarHBondContact O-N 2.8Å; S192-D212 WeakPolarHBondContact CB-OD2 3.42Å; D212-G214 PolarHBondContact OD1-N 2.7Å
213	K	80.2	Confident	91.7	Very high	199 Å²	199	67.3 Å²	67.3	87%	0.865	36%	0.356	S	S	*	.			trans	-129	3.9	176.5	-61.9	-178.3	-178.7	176.7	0	112.4
214	G	81.9	Confident	91.9	Very high	30 Å²	30	61.8 Å²	61.8	31%	0.309	33%	0.333	S	S	.	.	S	Bend	trans	-68.1	-172.1	-179.5	0	0	0	0	0	114.3	K187 D212	K187-G214 WeakPolarHBondContact CE-O 3.3Å; K187-G214 VanDerWaalsContact CG-O 3.29Å; K187-G214 WeakPolarHBondContact CG-O 3.42Å; D212-G214 PolarHBondContact OD1-N 2.7Å
215	E	89.4	Confident	92.1	Very high	135 Å²	135	58.5 Å²	58.5	63%	0.631	31%	0.312	S	S	*	.			trans	-70.4	149.3	175.1	-71.4	-54.2	128.3	0	0	112.5	K187 F217	K187-E215 IonicContact NZ-OE1 2.7Å; K187-E215 PolarHBondContact NZ-OE1 3.42Å; K187-E215 IonicContact NZ-OE2 2.65Å; K187-E215 PolarHBondContact NZ-OE2 2.84Å; E215-F217 WeakPolarHBondContact O-CD1 3.49Å; E215-F217 PolarHBondContact O-N 3.11Å
216	D	92.6	Very high	92.2	Very high	27 Å²	27	56.8 Å²	56.8	14%	0.144	30%	0.299	C	S	.	.			trans	-66	130.1	173	-79.7	-20.1	0	0	0	109.7	G125 S186 K187	G125-D216 CarbonylContact O-C 3.56Å; G125-D216 WeakPolarHBondContact O-CB 3.37Å; S186-D216 VanDerWaalsContact CA-OD1 3.25Å; S186-D216 WeakPolarHBondContact CA-OD1 3.47Å; K187-D216 WeakPolarHBondContact CB-OD1 3.41Å; K187-D216 WeakPolarHBondContact CG-OD1 3.35Å; K187-D216 PolarHBondContact N-OD1 3.31Å
217	F	94.6	Very high	92.3	Very high	52 Å²	52	54 Å²	54	23%	0.228	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	160.8	173.2	73.2	-92.1	0	0	0	112.7	W122 N123 E183 T184 S185 E215 C219	W122-F217 AromaticContact CD1-CD2 3.95Å; W122-F217 HydrophobicContact CZ2-CB 3.83Å; W122-F217 AromaticContact NE1-CD2 3.49Å; W122-F217 AromaticContact NE1-CG 3.62Å; N123-F217 VanDerWaalsContact O-CA 3.26Å; N123-F217 WeakPolarHBondContact O-CA 3.3Å; N123-F217 WeakPolarHBondContact O-CB 3.43Å; E183-F217 HydrophobicContact CB-CE2 4.4Å; T184-F217 WeakPolarHBondContact CA-O 3.42Å; T184-F217 WeakPolarHBondContact CB-O 3.32Å; T184-F217 PolarHBondContact OG1-O 3.25Å; S185-F217 PolarHBondContact N-O 3.08Å; S185-F217 VanDerWaalsContact N-O 3.11Å; S185-F217 PolarHBondContact O-N 3.13Å; E215-F217 WeakPolarHBondContact O-CD1 3.49Å; E215-F217 PolarHBondContact O-N 3.11Å; F217-C219 HydrophobicContact CD2-CB 4.03Å; F217-C219 HydrophobicContact CE2-CB 4.01Å
218	T	95.4	Very high	92.3	Very high	10 Å²	10	56.2 Å²	56.2	6%	0.061	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.1	161.8	-59.2	0	0	0	0	109.3	W122 N123 I128 T184 I220	W122-T218 CarbonylContact C-O 3.51Å; W122-T218 WeakPolarHBondContact CA-O 3.49Å; N123-T218 PolarHBondContact N-O 3.11Å; N123-T218 PolarHBondContact O-N 2.88Å; I128-T218 HydrophobicContact CD1-CG2 3.65Å; I128-T218 HydrophobicContact CG1-CG2 4.43Å; T184-T218 PolarHBondContact OG1-OG1 3.38Å; T218-I220 HydrophobicContact CG2-CD1 4.26Å; T218-I220 HydrophobicContact CG2-CG1 4.44Å
219	C	96.7	Very high	92.3	Very high	6 Å²	6	49.4 Å²	49.4	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	120.9	-177.5	-175.7	0	0	0	0	108.8	I121 E183 F217	I121-C219 WeakPolarHBondContact O-CA 3.33Å; E183-C219 HydrophobicContact CB-CB 3.97Å; E183-C219 PolarHBondContact N-O 3.4Å; E183-C219 WeakPolarHBondContact O-CA 3.33Å; E183-C219 WeakPolarHBondContact O-CB 3.23Å; E183-C219 PolarHBondContact O-N 3.01Å; E183-C219 VanDerWaalsContact O-O 3.12Å; F217-C219 HydrophobicContact CD2-CB 4.03Å; F217-C219 HydrophobicContact CE2-CB 4.01Å
220	I	97.3	Very high	92.2	Very high	8 Å²	8	50 Å²	50	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.5	177.2	-54.8	-60.2	0	0	0	107.5	I91 R120 I121 F145 F180 I181 V182 T218 F222	I91-I220 HydrophobicContact CD1-CG2 4.22Å; I91-I220 HydrophobicContact CG1-CG2 4.43Å; I91-I220 HydrophobicContact CG2-CB 3.92Å; I91-I220 HydrophobicContact CG2-CG1 4.14Å; I91-I220 HydrophobicContact CG2-CG2 4.02Å; R120-I220 CarbonylContact C-O 3.57Å; R120-I220 WeakPolarHBondContact CA-O 3.27Å; I121-I220 PolarHBondContact N-O 3.49Å; I121-I220 PolarHBondContact O-N 2.98Å; F145-I220 HydrophobicContact CD1-CD1 4.15Å; F145-I220 HydrophobicContact CE1-CD1 3.45Å; F145-I220 VanDerWaalsContact CE1-CD1 3.45Å; F145-I220 HydrophobicContact CE1-CG1 4.24Å; F145-I220 HydrophobicContact CE2-CD1 4.45Å; F145-I220 HydrophobicContact CZ-CD1 3.64Å; F180-I220 HydrophobicContact CD2-CG2 4.48Å; F180-I220 HydrophobicContact CE1-CG2 4.25Å; F180-I220 HydrophobicContact CE2-CG2 3.59Å; F180-I220 HydrophobicContact CZ-CG2 3.45Å; F180-I220 VanDerWaalsContact CZ-CG2 3.45Å; I181-I220 WeakPolarHBondContact O-CA 3.41Å; V182-I220 HydrophobicContact CB-CD1 4.36Å; V182-I220 HydrophobicContact CG1-CD1 4.14Å; V182-I220 HydrophobicContact CG2-CD1 3.96Å; T218-I220 HydrophobicContact CG2-CD1 4.26Å; T218-I220 HydrophobicContact CG2-CG1 4.44Å; I220-F222 HydrophobicContact CG2-CD1 4.47Å
221	T	97.5	Very high	92.1	Very high	11 Å²	11	44.5 Å²	44.5	7%	0.067	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.2	174.2	-54.9	0	0	0	0	109.4	M118 V119 R120 I181 Y223	M118-T221 HydrophobicContact CG-CG2 3.84Å; M118-T221 HydrophobicContact SD-CG2 3.69Å; V119-T221 CarbonylContact O-C 3.55Å; V119-T221 WeakPolarHBondContact O-CA 3.47Å; R120-T221 HydrophobicContact CB-CG2 4.23Å; R120-T221 WeakPolarHBondContact CG-OG1 3.31Å; I181-T221 WeakPolarHBondContact CB-O 3.22Å; I181-T221 HydrophobicContact CD1-CG2 4.41Å; I181-T221 PolarHBondContact N-O 3.06Å; I181-T221 PolarHBondContact O-N 2.66Å; T221-Y223 HydrophobicContact CG2-CE2 3.99Å
222	F	96.9	Very high	92.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.6	-176.2	70.2	-82.1	0	0	0	112.6	I87 F88 I91 V119 I121 C173 K179 F180 I220 P224	I87-F222 HydrophobicContact CD1-CE2 4.34Å; F88-F222 HydrophobicContact CB-CZ 4.19Å; F88-F222 HydrophobicContact CD2-CZ 4.12Å; I91-F222 HydrophobicContact CG1-CE1 4.48Å; V119-F222 HydrophobicContact CB-CD1 4.14Å; V119-F222 HydrophobicContact CB-CE1 3.67Å; V119-F222 HydrophobicContact CB-CE2 4.26Å; V119-F222 HydrophobicContact CB-CZ 3.74Å; V119-F222 HydrophobicContact CG1-CD1 4.48Å; V119-F222 HydrophobicContact CG1-CE1 3.67Å; V119-F222 HydrophobicContact CG1-CZ 3.88Å; V119-F222 HydrophobicContact CG2-CZ 4.26Å; V119-F222 PolarHBondContact N-O 3.23Å; V119-F222 WeakPolarHBondContact O-CD1 3.04Å; V119-F222 PolarHBondContact O-N 3.5Å; I121-F222 HydrophobicContact CD1-CE1 4.34Å; C173-F222 VanDerWaalsContact SG-CD2 3.5Å; K179-F222 WeakPolarHBondContact O-CA 3.39Å; F180-F222 HydrophobicContact CD2-CB 3.61Å; F180-F222 HydrophobicContact CE2-CB 4.13Å; I220-F222 HydrophobicContact CG2-CD1 4.47Å; F222-P224 HydrophobicContact CD2-CG 3.88Å; F222-P224 HydrophobicContact CE2-CG 3.84Å
223	Y	96.9	Very high	92.5	Very high	59 Å²	59	51 Å²	51	23%	0.231	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	97.6	-179.5	-62	-108.3	0	0	0	106.5	M118 S177 K178 K179 I181 T221	M118-Y223 HydrophobicContact CB-CD1 3.97Å; M118-Y223 HydrophobicContact CB-CE1 3.71Å; M118-Y223 HydrophobicContact CG-CD1 4.22Å; M118-Y223 HydrophobicContact CG-CE1 3.7Å; M118-Y223 HydrophobicContact CG-CE2 4.01Å; S177-Y223 CarbonylContact C-O 3.41Å; S177-Y223 WeakPolarHBondContact CA-O 3.35Å; S177-Y223 WeakPolarHBondContact CB-O 3.4Å; K178-Y223 PolarHBondContact N-O 2.89Å; K179-Y223 HydrophobicContact CB-CD2 3.85Å; K179-Y223 HydrophobicContact CB-CG 4.22Å; K179-Y223 HydrophobicContact CD-CD2 3.82Å; K179-Y223 HydrophobicContact CD-CE2 3.81Å; K179-Y223 HydrophobicContact CD-CG 4.42Å; K179-Y223 HydrophobicContact CG-CD2 3.93Å; K179-Y223 HydrophobicContact CG-CE2 4.25Å; K179-Y223 PolarHBondContact O-N 2.77Å; I181-Y223 HydrophobicContact CD1-CE2 4.3Å; T221-Y223 HydrophobicContact CG2-CE2 3.99Å
224	P	95.3	Very high	93	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	145.8	-174.6	-27.4	35.8	0	0	0	113	L84 N117 F222 L226 F229	L84-P224 HydrophobicContact CD1-CB 3.61Å; L84-P224 HydrophobicContact CD1-CG 3.78Å; N117-P224 VanDerWaalsContact O-CD 3.32Å; N117-P224 WeakPolarHBondContact O-CD 3.07Å; F222-P224 HydrophobicContact CD2-CG 3.88Å; F222-P224 HydrophobicContact CE2-CG 3.84Å; P224-L226 HydrophobicContact CB-CD2 3.88Å; P224-L226 HydrophobicContact CB-CG 4.34Å; P224-L226 PolarHBondContact O-N 3.18Å; P224-F229 HydrophobicContact CB-CE2 4.41Å
225	D	95.2	Very high	93.5	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.043	23%	0.227	C	C	.	.			trans	-80.9	71	171.4	-167.5	0.2	0	0	0	110.5	F176 K178 N200 S227 R228 F229	F176-D225 PolarHBondContact O-N 3.44Å; K178-D225 WeakPolarHBondContact CE-OD1 3.38Å; K178-D225 HydrophobicContact CG-CB 3.95Å; N200-D225 PolarHBondContact ND2-OD2 3.1Å; N200-D225 PolarHBondContact OD1-OD2 3.33Å; D225-S227 PolarHBondContact O-N 2.83Å; D225-S227 PolarHBondContact OD1-OG 2.86Å; D225-R228 HydrophobicContact CB-CG 4.36Å; D225-R228 WeakPolarHBondContact O-CB 3.43Å; D225-R228 PolarHBondContact O-N 3.31Å; D225-R228 VanDerWaalsContact OD2-CD 3.26Å; D225-R228 WeakPolarHBondContact OD2-CD 3.13Å; D225-R228 IonicContact OD2-CZ 2.74Å; D225-R228 IonicContact OD2-NE 3.53Å; D225-R228 PolarHBondContact OD2-NE 2.9Å; D225-F229 WeakPolarHBondContact O-CD2 3.47Å
226	L	93	Very high	93.6	Very high	7 Å²	7	42 Å²	42	4%	0.037	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-51.8	-26.6	-176.6	-61.9	-178.8	0	0	0	113.6	L84 N117 P224 R228 F229 G230 M231 L234	L84-L226 HydrophobicContact CD1-CD2 4.44Å; L84-L226 HydrophobicContact CD2-CD2 3.8Å; N117-L226 HydrophobicContact CB-CD1 3.95Å; N117-L226 VanDerWaalsContact CG-CD1 3.5Å; N117-L226 WeakPolarHBondContact OD1-CD1 3.38Å; P224-L226 HydrophobicContact CB-CD2 3.88Å; P224-L226 HydrophobicContact CB-CG 4.34Å; P224-L226 PolarHBondContact O-N 3.18Å; L226-R228 PolarHBondContact O-N 3.47Å; L226-F229 CarbonylContact O-C 3.44Å; L226-F229 WeakPolarHBondContact O-CA 3.46Å; L226-F229 PolarHBondContact O-N 3.27Å; L226-G230 PolarHBondContact O-N 3.47Å; L226-G230 VanDerWaalsContact O-N 3.12Å; L226-M231 CarbonylContact C-O 3.48Å; L226-M231 HydrophobicContact CB-CB 4Å; L226-M231 VanDerWaalsContact CB-O 3.23Å; L226-M231 WeakPolarHBondContact CB-O 3.2Å; L226-M231 HydrophobicContact CD2-CB 4.25Å; L226-M231 PolarHBondContact O-N 3.02Å; L226-M231 VanDerWaalsContact O-O 3.09Å; L226-L234 HydrophobicContact CD2-CD2 3.96Å
227	S	92.7	Very high	93.6	Very high	82 Å²	82	42.5 Å²	42.5	57%	0.573	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-58.4	-34.4	174.1	77	0	0	0	0	113.1	D225 F229	D225-S227 PolarHBondContact O-N 2.83Å; D225-S227 PolarHBondContact OD1-OG 2.86Å; S227-F229 VanDerWaalsContact C-N 3.32Å
228	R	92.2	Very high	93.5	Very high	89 Å²	89	40.1 Å²	40.1	34%	0.336	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-78.7	-17.6	176.9	-61.4	-178	-177.4	-88.9	1.2	113.2	T56 N200 D225 L226	T56-R228 VanDerWaalsContact CB-O 3.25Å; T56-R228 WeakPolarHBondContact CB-O 3.12Å; T56-R228 PolarHBondContact OG1-O 3.18Å; N200-R228 PolarHBondContact ND2-NE 3.33Å; N200-R228 VanDerWaalsContact ND2-NE 3.18Å; N200-R228 PolarHBondContact OD1-NE 3.41Å; N200-R228 PolarHBondContact OD1-NH2 3.48Å; D225-R228 HydrophobicContact CB-CG 4.36Å; D225-R228 WeakPolarHBondContact O-CB 3.43Å; D225-R228 PolarHBondContact O-N 3.31Å; D225-R228 VanDerWaalsContact OD2-CD 3.26Å; D225-R228 WeakPolarHBondContact OD2-CD 3.13Å; D225-R228 IonicContact OD2-CZ 2.74Å; D225-R228 IonicContact OD2-NE 3.53Å; D225-R228 PolarHBondContact OD2-NE 2.9Å; L226-R228 PolarHBondContact O-N 3.47Å
229	F	92.3	Very high	93.4	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.009	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-99.9	2.8	178.5	-60.7	-64.6	0	0	0	113.1	I53 T56 S81 G83 L84 I87 F176 P224 D225 L226 S227 M231	I53-F229 HydrophobicContact CD1-CE1 3.91Å; I53-F229 HydrophobicContact CD1-CZ 4.25Å; T56-F229 HydrophobicContact CG2-CD1 3.79Å; T56-F229 HydrophobicContact CG2-CE1 3.79Å; T56-F229 CarbonylContact O-C 3.53Å; T56-F229 WeakPolarHBondContact O-CA 3.18Å; S81-F229 VanDerWaalsContact OG-CD1 3.3Å; S81-F229 WeakPolarHBondContact OG-CD1 3.41Å; G83-F229 VanDerWaalsContact C-CE1 3.49Å; L84-F229 HydrophobicContact CB-CD1 3.91Å; L84-F229 HydrophobicContact CB-CD2 4.19Å; L84-F229 HydrophobicContact CB-CE1 4Å; L84-F229 HydrophobicContact CB-CE2 4.28Å; L84-F229 HydrophobicContact CB-CG 3.99Å; L84-F229 HydrophobicContact CB-CZ 4.17Å; L84-F229 HydrophobicContact CD1-CD2 4.1Å; L84-F229 HydrophobicContact CD1-CE2 3.92Å; L84-F229 HydrophobicContact CD1-CZ 4.4Å; L84-F229 VanDerWaalsContact N-CE1 3.29Å; I87-F229 HydrophobicContact CD1-CE2 4.06Å; I87-F229 HydrophobicContact CD1-CZ 3.89Å; I87-F229 HydrophobicContact CG1-CZ 4.46Å; F176-F229 HydrophobicContact CB-CE2 4.12Å; F176-F229 HydrophobicContact CB-CZ 3.74Å; F176-F229 HydrophobicContact CD1-CE1 4.34Å; F176-F229 AromaticContact CD1-CZ 3.92Å; F176-F229 HydrophobicContact CD1-CZ 3.92Å; F176-F229 HydrophobicContact CG-CZ 4.05Å; P224-F229 HydrophobicContact CB-CE2 4.41Å; D225-F229 WeakPolarHBondContact O-CD2 3.47Å; L226-F229 CarbonylContact O-C 3.44Å; L226-F229 WeakPolarHBondContact O-CA 3.46Å; L226-F229 PolarHBondContact O-N 3.27Å; S227-F229 VanDerWaalsContact C-N 3.32Å; F229-M231 VanDerWaalsContact C-N 3.34Å; F229-M231 HydrophobicContact CB-CG 4.47Å; F229-M231 HydrophobicContact CB-SD 4.24Å
230	G	89.1	Confident	93.1	Very high	60 Å²	60	40.8 Å²	40.8	62%	0.619	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	31.9	-177.4	0	0	0	0	0	113.5	K58 L226	K58-G230 VanDerWaalsContact CE-O 3.23Å; K58-G230 WeakPolarHBondContact CE-O 3.27Å; L226-G230 PolarHBondContact O-N 3.47Å; L226-G230 VanDerWaalsContact O-N 3.12Å
231	M	90.6	Very high	92.9	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.02	22%	0.219	C	C	.	.			trans	-126.9	149	-174.3	-67.6	171.8	81.5	0	0	110.7	L84 L226 F229 E235	L84-M231 HydrophobicContact CD2-CE 3.99Å; L84-M231 HydrophobicContact CD2-SD 3.52Å; L84-M231 VanDerWaalsContact CD2-SD 3.52Å; L226-M231 CarbonylContact C-O 3.48Å; L226-M231 HydrophobicContact CB-CB 4Å; L226-M231 VanDerWaalsContact CB-O 3.23Å; L226-M231 WeakPolarHBondContact CB-O 3.2Å; L226-M231 HydrophobicContact CD2-CB 4.25Å; L226-M231 PolarHBondContact O-N 3.02Å; L226-M231 VanDerWaalsContact O-O 3.09Å; F229-M231 VanDerWaalsContact C-N 3.34Å; F229-M231 HydrophobicContact CB-CG 4.47Å; F229-M231 HydrophobicContact CB-SD 4.24Å; M231-E235 HydrophobicContact CE-CB 3.91Å; M231-E235 HydrophobicContact CE-CG 4.03Å
232	N	90	Very high	92.7	Very high	155 Å²	155	40 Å²	40	83%	0.829	22%	0.216	S	C	*	.	S	Bend	trans	-101.5	-31.6	173.4	-67.8	-26.7	0	0	0	111.8
233	E	92.3	Very high	92.5	Very high	122 Å²	122	40.2 Å²	40.2	57%	0.57	22%	0.218	S	C	*	.	S	Bend	trans	-140.6	168.1	-179.6	63.2	-175.5	-169.9	0	0	111.2	N117 E235	N117-E233 WeakPolarHBondContact OD1-CA 3.03Å; E233-E235 VanDerWaalsContact C-N 3.26Å; E233-E235 HydrophobicContact CG-CG 4.23Å; E233-E235 PolarHBondContact O-N 3.18Å
234	L	91.6	Very high	92.3	Very high	5 Å²	5	38 Å²	38	3%	0.026	21%	0.209	C	C	.	.			trans	-73.8	81.1	170.8	-70.1	175.8	0	0	0	110.2	L84 P114 N117 V119 L226 V239	L84-L234 HydrophobicContact CD2-CD2 4.15Å; P114-L234 HydrophobicContact CB-CB 4.27Å; N117-L234 PolarHBondContact OD1-N 2.89Å; V119-L234 HydrophobicContact CG2-CD1 4.12Å; L226-L234 HydrophobicContact CD2-CD2 3.96Å; L234-V239 HydrophobicContact CB-CG2 4.31Å; L234-V239 VanDerWaalsContact O-CG2 3.29Å; L234-V239 WeakPolarHBondContact O-CG2 3.25Å
235	E	91.9	Very high	92.2	Very high	49 Å²	49	37.9 Å²	37.9	23%	0.229	21%	0.208	C	C	.	.			trans	-53.8	144.2	-178.7	-68.4	159.4	-150.4	0	0	113	K58 M231 E233 D237 T238 V239	K58-E235 IonicContact NZ-OE1 2.82Å; K58-E235 PolarHBondContact NZ-OE1 3.03Å; K58-E235 IonicContact NZ-OE2 2.68Å; K58-E235 PolarHBondContact NZ-OE2 3.31Å; M231-E235 HydrophobicContact CE-CB 3.91Å; M231-E235 HydrophobicContact CE-CG 4.03Å; E233-E235 VanDerWaalsContact C-N 3.26Å; E233-E235 HydrophobicContact CG-CG 4.23Å; E233-E235 PolarHBondContact O-N 3.18Å; E235-D237 PolarHBondContact O-N 3Å; E235-T238 WeakPolarHBondContact O-CA 3.5Å; E235-T238 WeakPolarHBondContact O-CB 3.37Å; E235-T238 PolarHBondContact O-N 3.45Å; E235-V239 PolarHBondContact O-N 2.96Å; E235-V239 VanDerWaalsContact O-N 3.11Å
236	Q	91.3	Very high	92.1	Very high	122 Å²	122	37.5 Å²	37.5	57%	0.57	21%	0.206	S	C	*	.	H	α-helix	trans	-54.3	-30	-169.9	-174.2	61.1	21	0	0	114.6	V239 S240	Q236-V239 PolarHBondContact O-N 3.37Å; Q236-S240 WeakPolarHBondContact O-CB 3.34Å; Q236-S240 PolarHBondContact O-N 2.91Å; Q236-S240 PolarHBondContact O-OG 3.19Å
237	D	92.3	Very high	92.1	Very high	38 Å²	38	37.6 Å²	37.6	20%	0.203	21%	0.206	C	C	.	.	H	α-helix	trans	-68.5	-38.9	175.1	-93.2	9.6	0	0	0	112.8	R76 I78 T79 E235 S240 L241	R76-D237 IonicContact CZ-OD1 2.83Å; R76-D237 IonicContact NH1-OD1 2.65Å; R76-D237 PolarHBondContact NH1-OD1 2.95Å; R76-D237 IonicContact NH1-OD2 3.23Å; R76-D237 IonicContact NH2-OD1 2.9Å; R76-D237 PolarHBondContact NH2-OD1 3.2Å; I78-D237 WeakPolarHBondContact CA-OD2 3.16Å; I78-D237 HydrophobicContact CG2-CB 3.58Å; T79-D237 PolarHBondContact N-OD2 2.78Å; T79-D237 WeakPolarHBondContact O-CB 3.42Å; E235-D237 PolarHBondContact O-N 3Å; D237-S240 WeakPolarHBondContact O-CB 3.27Å; D237-S240 PolarHBondContact O-N 3.44Å; D237-L241 PolarHBondContact O-N 3.28Å
238	T	92.6	Very high	92	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-69.5	-40.8	173.3	-62.6	0	0	0	0	110.6	L84 E235 S240 L241 F242	L84-T238 HydrophobicContact CD2-CG2 3.91Å; L84-T238 HydrophobicContact CG-CG2 4.26Å; E235-T238 WeakPolarHBondContact O-CA 3.5Å; E235-T238 WeakPolarHBondContact O-CB 3.37Å; E235-T238 PolarHBondContact O-N 3.45Å; T238-S240 VanDerWaalsContact C-N 3.33Å; T238-S240 PolarHBondContact O-N 3.23Å; T238-L241 PolarHBondContact O-N 3.2Å; T238-F242 HydrophobicContact CG2-CD1 4.09Å; T238-F242 HydrophobicContact CG2-CE1 3.48Å; T238-F242 VanDerWaalsContact CG2-CE1 3.48Å; T238-F242 HydrophobicContact CG2-CE2 4.23Å; T238-F242 HydrophobicContact CG2-CZ 3.58Å; T238-F242 WeakPolarHBondContact O-CD1 3.33Å; T238-F242 WeakPolarHBondContact O-CG 3.46Å; T238-F242 PolarHBondContact O-N 3.33Å
239	V	93	Very high	92	Very high	15 Å²	15	29.5 Å²	29.5	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-60.2	-43.1	173.2	-179.1	0	0	0	0	111	P114 L234 E235 Q236 L241 F242 T243	P114-V239 HydrophobicContact CG-CG2 3.88Å; L234-V239 HydrophobicContact CB-CG2 4.31Å; L234-V239 VanDerWaalsContact O-CG2 3.29Å; L234-V239 WeakPolarHBondContact O-CG2 3.25Å; E235-V239 PolarHBondContact O-N 2.96Å; E235-V239 VanDerWaalsContact O-N 3.11Å; Q236-V239 PolarHBondContact O-N 3.37Å; V239-L241 VanDerWaalsContact C-N 3.31Å; V239-L241 PolarHBondContact O-N 3.42Å; V239-F242 PolarHBondContact O-N 3.21Å; V239-F242 VanDerWaalsContact O-N 3.12Å; V239-T243 WeakPolarHBondContact O-CB 3.29Å; V239-T243 PolarHBondContact O-N 2.84Å; V239-T243 PolarHBondContact O-OG1 2.87Å
240	S	92.3	Very high	92	Very high	15 Å²	15	29.7 Å²	29.7	11%	0.105	17%	0.165	C	C	.	.	H	α-helix	trans	-58.1	-41.6	177	-59	0	0	0	0	112.2	R76 Q236 D237 T238 R244	R76-S240 PolarHBondContact NH2-OG 3.31Å; Q236-S240 WeakPolarHBondContact O-CB 3.34Å; Q236-S240 PolarHBondContact O-N 2.91Å; Q236-S240 PolarHBondContact O-OG 3.19Å; D237-S240 WeakPolarHBondContact O-CB 3.27Å; D237-S240 PolarHBondContact O-N 3.44Å; T238-S240 VanDerWaalsContact C-N 3.33Å; T238-S240 PolarHBondContact O-N 3.23Å; S240-R244 PolarHBondContact O-N 3.43Å
241	L	91.7	Very high	92	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-68.7	-37.4	175.4	-74	170.3	0	0	0	112.8	M63 V65 I78 F80 Y85 D237 T238 V239 R244 R245	M63-L241 HydrophobicContact CB-CD2 4.26Å; M63-L241 HydrophobicContact CE-CD2 3.62Å; M63-L241 HydrophobicContact SD-CD1 4.2Å; M63-L241 HydrophobicContact SD-CD2 3.71Å; V65-L241 HydrophobicContact CG1-CD2 3.73Å; V65-L241 HydrophobicContact CG1-CG 4.15Å; I78-L241 HydrophobicContact CD1-CD2 4.15Å; I78-L241 HydrophobicContact CD1-CG 4.33Å; I78-L241 HydrophobicContact CG2-CD1 3.85Å; I78-L241 HydrophobicContact CG2-CG 4.09Å; F80-L241 HydrophobicContact CB-CD1 3.74Å; F80-L241 HydrophobicContact CD1-CD1 3.62Å; F80-L241 HydrophobicContact CD2-CD1 3.46Å; F80-L241 VanDerWaalsContact CD2-CD1 3.46Å; F80-L241 HydrophobicContact CE1-CD1 4.05Å; F80-L241 HydrophobicContact CE2-CD1 3.89Å; F80-L241 HydrophobicContact CG-CD1 3.31Å; F80-L241 HydrophobicContact CZ-CD1 4.17Å; Y85-L241 HydrophobicContact CD2-CB 4.08Å; Y85-L241 HydrophobicContact CE2-CB 4.17Å; D237-L241 PolarHBondContact O-N 3.28Å; T238-L241 PolarHBondContact O-N 3.2Å; V239-L241 VanDerWaalsContact C-N 3.31Å; V239-L241 PolarHBondContact O-N 3.42Å; L241-R244 PolarHBondContact O-N 3.06Å; L241-R245 WeakPolarHBondContact O-CB 3.41Å; L241-R245 PolarHBondContact O-N 2.8Å
242	F	94	Very high	91.9	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-68	-44.7	176.7	-70.2	13.4	0	0	0	111	L84 Y85 F88 I112 V119 T238 V239 R244 R245 A246	L84-F242 HydrophobicContact CD1-CZ 4.48Å; L84-F242 HydrophobicContact CG-CZ 4.2Å; Y85-F242 HydrophobicContact CD2-CD1 4.17Å; Y85-F242 HydrophobicContact CD2-CE1 4.27Å; F88-F242 HydrophobicContact CB-CD1 4.48Å; F88-F242 HydrophobicContact CB-CE1 3.98Å; F88-F242 HydrophobicContact CB-CE2 4.23Å; F88-F242 HydrophobicContact CB-CZ 3.83Å; F88-F242 HydrophobicContact CD1-CB 4.23Å; F88-F242 AromaticContact CD1-CD1 3.54Å; F88-F242 HydrophobicContact CD1-CD1 3.54Å; F88-F242 HydrophobicContact CD1-CD2 4.2Å; F88-F242 AromaticContact CD1-CE1 3.9Å; F88-F242 HydrophobicContact CD1-CE1 3.9Å; F88-F242 HydrophobicContact CD1-CE2 4.5Å; F88-F242 AromaticContact CD1-CG 3.71Å; F88-F242 HydrophobicContact CD1-CG 3.71Å; F88-F242 HydrophobicContact CD1-CZ 4.35Å; F88-F242 HydrophobicContact CD2-CD2 4.04Å; F88-F242 HydrophobicContact CD2-CE2 4.16Å; F88-F242 HydrophobicContact CD2-CG 4.34Å; F88-F242 HydrophobicContact CE1-CB 3.62Å; F88-F242 AromaticContact CE1-CD1 3.84Å; F88-F242 HydrophobicContact CE1-CD1 3.84Å; F88-F242 HydrophobicContact CE1-CD2 4.25Å; F88-F242 AromaticContact CE1-CG 3.63Å; F88-F242 HydrophobicContact CE1-CG 3.63Å; F88-F242 HydrophobicContact CE2-CB 4.42Å; F88-F242 HydrophobicContact CE2-CD2 4.08Å; F88-F242 HydrophobicContact CE2-CG 4.26Å; F88-F242 HydrophobicContact CG-CD1 4.04Å; F88-F242 HydrophobicContact CG-CD2 4.07Å; F88-F242 HydrophobicContact CG-CE1 4.02Å; F88-F242 HydrophobicContact CG-CE2 4.06Å; F88-F242 HydrophobicContact CG-CG 4.06Å; F88-F242 HydrophobicContact CG-CZ 4.02Å; F88-F242 HydrophobicContact CZ-CB 3.71Å; F88-F242 HydrophobicContact CZ-CD2 4.17Å; F88-F242 AromaticContact CZ-CG 3.9Å; F88-F242 HydrophobicContact CZ-CG 3.9Å; I112-F242 HydrophobicContact CD1-CB 3.51Å; I112-F242 HydrophobicContact CD1-CD2 4.2Å; I112-F242 HydrophobicContact CD1-CG 4.4Å; I112-F242 HydrophobicContact CG2-CD2 4.43Å; V119-F242 HydrophobicContact CG2-CD2 4.39Å; V119-F242 HydrophobicContact CG2-CE2 4.01Å; T238-F242 HydrophobicContact CG2-CD1 4.09Å; T238-F242 HydrophobicContact CG2-CE1 3.48Å; T238-F242 VanDerWaalsContact CG2-CE1 3.48Å; T238-F242 HydrophobicContact CG2-CE2 4.23Å; T238-F242 HydrophobicContact CG2-CZ 3.58Å; T238-F242 WeakPolarHBondContact O-CD1 3.33Å; T238-F242 WeakPolarHBondContact O-CG 3.46Å; T238-F242 PolarHBondContact O-N 3.33Å; V239-F242 PolarHBondContact O-N 3.21Å; V239-F242 VanDerWaalsContact O-N 3.12Å; F242-R244 PolarHBondContact O-N 3.29Å; F242-R245 PolarHBondContact O-N 2.84Å; F242-A246 PolarHBondContact O-N 3.11Å
243	T	93	Very high	91.7	Very high	6 Å²	6	20 Å²	20	4%	0.037	10%	0.1	C	C	.	.	H	α-helix	trans	-54.8	-49.1	171.2	-72.7	0	0	0	0	111	L66 V239 R245 A246 Y247 L260	L66-T243 HydrophobicContact CD2-CG2 4.33Å; V239-T243 WeakPolarHBondContact O-CB 3.29Å; V239-T243 PolarHBondContact O-N 2.84Å; V239-T243 PolarHBondContact O-OG1 2.87Å; T243-R245 PolarHBondContact O-N 3.34Å; T243-A246 WeakPolarHBondContact O-CB 3.48Å; T243-A246 PolarHBondContact O-N 3.22Å; T243-Y247 HydrophobicContact CG2-CE2 4.46Å; T243-Y247 WeakPolarHBondContact O-CD2 3.41Å; T243-Y247 PolarHBondContact O-N 2.99Å; T243-L260 HydrophobicContact CG2-CD2 3.78Å
244	R	92	Very high	91.1	Very high	13 Å²	13	18 Å²	18	5%	0.049	9%	0.093	C	C	.	.	H	α-helix	trans	-60.3	-46.2	176.5	-165.1	-145.6	80.8	-132.5	-6.2	111.7	W64 V65 M73 Y85 S240 L241 F242 A246 Y247 D248	W64-R244 WeakPolarHBondContact O-CD 3.39Å; V65-R244 HydrophobicContact CG1-CB 4.27Å; M73-R244 HydrophobicContact CE-CG 3.78Å; M73-R244 HydrophobicContact SD-CG 3.84Å; Y85-R244 PolarHBondContact OH-NH2 3.19Å; S240-R244 PolarHBondContact O-N 3.43Å; L241-R244 PolarHBondContact O-N 3.06Å; F242-R244 PolarHBondContact O-N 3.29Å; R244-A246 PolarHBondContact O-N 3.05Å; R244-Y247 CarbonylContact O-C 3.56Å; R244-Y247 WeakPolarHBondContact O-CA 3.36Å; R244-Y247 VanDerWaalsContact O-CB 3.3Å; R244-Y247 WeakPolarHBondContact O-CB 3.44Å; R244-Y247 PolarHBondContact O-N 2.93Å; R244-D248 IonicContact CZ-OD1 2.8Å; R244-D248 IonicContact CZ-OD2 3.88Å; R244-D248 IonicContact NE-OD1 2.8Å; R244-D248 PolarHBondContact NE-OD1 2.67Å; R244-D248 IonicContact NE-OD2 3.92Å; R244-D248 PolarHBondContact NE-OD2 3.27Å; R244-D248 IonicContact NH2-OD1 3.4Å; R244-D248 IonicContact NH2-OD2 2.84Å; R244-D248 PolarHBondContact NH2-OD2 3.05Å; R244-D248 PolarHBondContact O-N 3.34Å
245	R	92.6	Very high	90.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.3	-26	-179.1	-170.8	59.1	174	138.4	7.3	112.9	Y85 F88 D89 L92 L241 F242 T243 D248 M249 S318	Y85-R245 HydrophobicContact CE2-CB 4.14Å; Y85-R245 HydrophobicContact CE2-CG 4.38Å; Y85-R245 WeakPolarHBondContact OH-CD 3.08Å; F88-R245 HydrophobicContact CE1-CB 4.1Å; F88-R245 HydrophobicContact CE1-CG 4.28Å; D89-R245 IonicContact OD1-CZ 2.67Å; D89-R245 IonicContact OD1-NE 3.86Å; D89-R245 PolarHBondContact OD1-NE 3.25Å; D89-R245 IonicContact OD1-NH2 2.79Å; D89-R245 PolarHBondContact OD1-NH2 2.86Å; L92-R245 HydrophobicContact CD1-CB 4.36Å; L92-R245 HydrophobicContact CD1-CG 3.68Å; L241-R245 WeakPolarHBondContact O-CB 3.41Å; L241-R245 PolarHBondContact O-N 2.8Å; F242-R245 PolarHBondContact O-N 2.84Å; T243-R245 PolarHBondContact O-N 3.34Å; R245-D248 WeakPolarHBondContact CD-OD2 3.3Å; R245-D248 IonicContact NE-OD2 2.72Å; R245-D248 IonicContact NH1-OD2 3.66Å; R245-D248 PolarHBondContact NH1-OD2 3.31Å; R245-D248 WeakPolarHBondContact O-CB 3.35Å; R245-D248 PolarHBondContact O-N 3.23Å; R245-M249 WeakPolarHBondContact O-CG 3.28Å; R245-M249 PolarHBondContact O-N 3.12Å; R245-M249 VanDerWaalsContact O-N 3.12Å; R245-S318 PolarHBondContact NH1-O 2.96Å; R245-S318 PolarHBondContact NH2-O 3.25Å
246	A	93	Very high	90.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.2	-38.3	167.4	0	0	0	0	0	112.8	I110 F242 T243 R244 M249 A250 L260 L265	I110-A246 HydrophobicContact CD1-CB 3.52Å; F242-A246 PolarHBondContact O-N 3.11Å; T243-A246 WeakPolarHBondContact O-CB 3.48Å; T243-A246 PolarHBondContact O-N 3.22Å; R244-A246 PolarHBondContact O-N 3.05Å; A246-M249 PolarHBondContact O-N 3.41Å; A246-A250 PolarHBondContact O-N 3.43Å; A246-L260 HydrophobicContact CB-CD1 4.08Å; A246-L260 HydrophobicContact CB-CD2 4.43Å; A246-L265 HydrophobicContact CB-CD1 4.14Å; A246-L265 WeakPolarHBondContact O-CD1 3.33Å
247	Y	92.8	Very high	90.6	Very high	9 Å²	9	18 Å²	18	4%	0.035	11%	0.109	C	C	.	.	H	α-helix	trans	-67.2	-39.3	170.6	-82	-115.4	0	0	0	111.7	L66 T243 R244 M249 A250 A251 L265 P266 I267 L276	L66-Y247 HydrophobicContact CD1-CE1 4.27Å; L66-Y247 HydrophobicContact CD2-CD2 4.33Å; L66-Y247 HydrophobicContact CD2-CE1 4.04Å; L66-Y247 HydrophobicContact CD2-CE2 3.62Å; L66-Y247 VanDerWaalsContact CD2-CZ 3.45Å; L66-Y247 WeakPolarHBondContact CD2-OH 3.43Å; T243-Y247 HydrophobicContact CG2-CE2 4.46Å; T243-Y247 WeakPolarHBondContact O-CD2 3.41Å; T243-Y247 PolarHBondContact O-N 2.99Å; R244-Y247 CarbonylContact O-C 3.56Å; R244-Y247 WeakPolarHBondContact O-CA 3.36Å; R244-Y247 VanDerWaalsContact O-CB 3.3Å; R244-Y247 WeakPolarHBondContact O-CB 3.44Å; R244-Y247 PolarHBondContact O-N 2.93Å; Y247-M249 VanDerWaalsContact C-N 3.31Å; Y247-M249 PolarHBondContact O-N 3.23Å; Y247-A250 PolarHBondContact O-N 3.08Å; Y247-A250 VanDerWaalsContact O-N 3.15Å; Y247-A251 PolarHBondContact O-N 3.06Å; Y247-A251 VanDerWaalsContact O-N 3.09Å; Y247-L265 HydrophobicContact CD2-CD1 3.66Å; Y247-L265 HydrophobicContact CD2-CD2 4.02Å; Y247-L265 HydrophobicContact CD2-CG 4.42Å; Y247-L265 HydrophobicContact CE2-CD1 3.99Å; Y247-L265 HydrophobicContact CE2-CD2 3.45Å; Y247-L265 VanDerWaalsContact CE2-CD2 3.45Å; Y247-L265 HydrophobicContact CE2-CG 4.25Å; Y247-L265 HydrophobicContact CG-CD1 4.08Å; Y247-P266 HydrophobicContact CE1-CG 4.15Å; Y247-I267 HydrophobicContact CD1-CD1 3.79Å; Y247-I267 HydrophobicContact CD1-CG1 4.26Å; Y247-I267 HydrophobicContact CG-CD1 4.29Å; Y247-I267 VanDerWaalsContact O-CD1 3.3Å; Y247-I267 WeakPolarHBondContact O-CD1 3.46Å; Y247-L276 HydrophobicContact CD1-CD1 3.68Å; Y247-L276 HydrophobicContact CE1-CD1 4.08Å
248	D	92.4	Very high	90.7	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-54.7	-47	173.3	-56.6	4.2	0	0	0	110.8	R244 R245 A250 A251 T252 Y273 F315	R244-D248 IonicContact CZ-OD1 2.8Å; R244-D248 IonicContact CZ-OD2 3.88Å; R244-D248 IonicContact NE-OD1 2.8Å; R244-D248 PolarHBondContact NE-OD1 2.67Å; R244-D248 IonicContact NE-OD2 3.92Å; R244-D248 PolarHBondContact NE-OD2 3.27Å; R244-D248 IonicContact NH2-OD1 3.4Å; R244-D248 IonicContact NH2-OD2 2.84Å; R244-D248 PolarHBondContact NH2-OD2 3.05Å; R244-D248 PolarHBondContact O-N 3.34Å; R245-D248 WeakPolarHBondContact CD-OD2 3.3Å; R245-D248 IonicContact NE-OD2 2.72Å; R245-D248 IonicContact NH1-OD2 3.66Å; R245-D248 PolarHBondContact NH1-OD2 3.31Å; R245-D248 WeakPolarHBondContact O-CB 3.35Å; R245-D248 PolarHBondContact O-N 3.23Å; D248-A250 VanDerWaalsContact C-N 3.34Å; D248-A250 PolarHBondContact O-N 3.11Å; D248-A251 WeakPolarHBondContact O-CB 3.22Å; D248-A251 PolarHBondContact O-N 3.14Å; D248-T252 PolarHBondContact O-N 2.89Å; D248-T252 PolarHBondContact O-OG1 3.38Å; D248-Y273 PolarHBondContact OD1-OH 2.98Å; D248-F315 HydrophobicContact CB-CE1 3.75Å; D248-F315 HydrophobicContact CB-CZ 3.92Å
249	M	91.4	Very high	90.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.7	-41	177	-66.6	-70.3	90	0	0	112.7	L92 A96 R245 A246 Y247 A251 T252 C253 V258 S318	L92-M249 HydrophobicContact CB-CG 4.38Å; L92-M249 HydrophobicContact CB-SD 4.04Å; L92-M249 HydrophobicContact CD1-CG 4.23Å; A96-M249 HydrophobicContact CB-SD 4.01Å; R245-M249 WeakPolarHBondContact O-CG 3.28Å; R245-M249 PolarHBondContact O-N 3.12Å; R245-M249 VanDerWaalsContact O-N 3.12Å; A246-M249 PolarHBondContact O-N 3.41Å; Y247-M249 VanDerWaalsContact C-N 3.31Å; Y247-M249 PolarHBondContact O-N 3.23Å; M249-A251 PolarHBondContact O-N 2.79Å; M249-T252 PolarHBondContact O-N 3.24Å; M249-C253 VanDerWaalsContact O-CB 3.25Å; M249-C253 WeakPolarHBondContact O-CB 3.49Å; M249-C253 PolarHBondContact O-N 3.47Å; M249-C253 PolarHBondContact O-SG 3.06Å; M249-V258 HydrophobicContact CB-CG2 4.32Å; M249-S318 WeakPolarHBondContact CE-O 3.41Å
250	A	91.4	Very high	90.9	Very high	7 Å²	7	18.9 Å²	18.9	6%	0.058	11%	0.11	C	C	.	.	H	α-helix	trans	-69	-17.5	177.1	0	0	0	0	0	113.3	A246 Y247 D248 V258 L265 I267	A246-A250 PolarHBondContact O-N 3.43Å; Y247-A250 PolarHBondContact O-N 3.08Å; Y247-A250 VanDerWaalsContact O-N 3.15Å; D248-A250 VanDerWaalsContact C-N 3.34Å; D248-A250 PolarHBondContact O-N 3.11Å; A250-V258 HydrophobicContact CB-CB 3.91Å; A250-V258 HydrophobicContact CB-CG2 3.7Å; A250-L265 HydrophobicContact CB-CB 4.49Å; A250-L265 HydrophobicContact CB-CD1 4.15Å; A250-I267 HydrophobicContact CB-CD1 3.82Å; A250-I267 HydrophobicContact CB-CG1 3.76Å
251	A	89.2	Confident	91	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-89.4	-39.1	175.9	0	0	0	0	0	113.1	Y247 D248 M249 I267 F270 Y273	Y247-A251 PolarHBondContact O-N 3.06Å; Y247-A251 VanDerWaalsContact O-N 3.09Å; D248-A251 WeakPolarHBondContact O-CB 3.22Å; D248-A251 PolarHBondContact O-N 3.14Å; M249-A251 PolarHBondContact O-N 2.79Å; A251-I267 HydrophobicContact CB-CD1 4.41Å; A251-F270 HydrophobicContact CB-CD2 4.3Å; A251-Y273 HydrophobicContact CB-CD1 3.87Å; A251-Y273 HydrophobicContact CB-CD2 3.57Å; A251-Y273 HydrophobicContact CB-CE2 4.27Å; A251-Y273 HydrophobicContact CB-CG 3.34Å
252	T	89.4	Confident	91	Very high	8 Å²	8	25.3 Å²	25.3	5%	0.049	16%	0.157	C	C	.	.	H	α-helix	trans	-89.5	-36.7	-174.7	62	0	0	0	0	113.2	D248 M249 N254 F315 S318	D248-T252 PolarHBondContact O-N 2.89Å; D248-T252 PolarHBondContact O-OG1 3.38Å; M249-T252 PolarHBondContact O-N 3.24Å; T252-N254 PolarHBondContact O-N 3.21Å; T252-F315 HydrophobicContact CG2-CB 3.51Å; T252-F315 HydrophobicContact CG2-CD1 3.66Å; T252-F315 HydrophobicContact CG2-CD2 3.61Å; T252-F315 HydrophobicContact CG2-CE1 4.27Å; T252-F315 HydrophobicContact CG2-CE2 4.22Å; T252-F315 HydrophobicContact CG2-CG 3.28Å; T252-S318 WeakPolarHBondContact CB-OG 3.43Å; T252-S318 VanDerWaalsContact OG1-CB 3.29Å; T252-S318 WeakPolarHBondContact OG1-CB 3.46Å; T252-S318 PolarHBondContact OG1-OG 3Å
253	C	85.4	Confident	90.9	Very high	7 Å²	7	31.7 Å²	31.7	5%	0.047	18%	0.184	C	C	.	.	S	Bend	trans	-85.9	77.3	-173.8	-55.4	0	0	0	0	111.5	M249 G255 I256 S318	M249-C253 VanDerWaalsContact O-CB 3.25Å; M249-C253 WeakPolarHBondContact O-CB 3.49Å; M249-C253 PolarHBondContact O-N 3.47Å; M249-C253 PolarHBondContact O-SG 3.06Å; C253-G255 PolarHBondContact O-N 3.21Å; C253-I256 HydrophobicContact CB-CB 4.27Å; C253-I256 HydrophobicContact CB-CD1 3.6Å; C253-I256 HydrophobicContact CB-CG1 3.98Å; C253-I256 WeakPolarHBondContact O-CB 3.5Å; C253-I256 WeakPolarHBondContact O-CG1 3.47Å; C253-I256 PolarHBondContact O-N 2.76Å; C253-I256 VanDerWaalsContact O-N 3.12Å; C253-S318 PolarHBondContact SG-OG 3.24Å
254	N	80.8	Confident	90.8	Very high	79 Å²	79	37.9 Å²	37.9	42%	0.422	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	124.2	-178.1	-74	-43.7	0	0	0	113	T252	T252-N254 PolarHBondContact O-N 3.21Å
255	G	83.3	Confident	90.8	Very high	63 Å²	63	37.7 Å²	37.7	65%	0.649	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	87	-0.5	176.7	0	0	0	0	0	116.1	C253	C253-G255 PolarHBondContact O-N 3.21Å
256	I	89	Confident	90.5	Very high	17 Å²	17	41.5 Å²	41.5	9%	0.087	23%	0.232	C	C	.	.			trans	-90.8	141.3	178	-54.8	-168.3	0	0	0	111.5	K99 M105 I108 C253 V258	K99-I256 HydrophobicContact CB-CD1 3.81Å; K99-I256 HydrophobicContact CD-CD1 4.07Å; K99-I256 HydrophobicContact CD-CG1 4.12Å; K99-I256 HydrophobicContact CG-CD1 3.83Å; K99-I256 HydrophobicContact CG-CG1 4.24Å; M105-I256 HydrophobicContact CE-CD1 3.93Å; M105-I256 HydrophobicContact SD-CD1 4.41Å; I108-I256 HydrophobicContact CB-CG2 4.28Å; I108-I256 HydrophobicContact CD1-CD1 4.08Å; I108-I256 HydrophobicContact CD1-CG2 4.14Å; I108-I256 HydrophobicContact CG1-CG2 3.9Å; C253-I256 HydrophobicContact CB-CB 4.27Å; C253-I256 HydrophobicContact CB-CD1 3.6Å; C253-I256 HydrophobicContact CB-CG1 3.98Å; C253-I256 WeakPolarHBondContact O-CB 3.5Å; C253-I256 WeakPolarHBondContact O-CG1 3.47Å; C253-I256 PolarHBondContact O-N 2.76Å; C253-I256 VanDerWaalsContact O-N 3.12Å; I256-V258 HydrophobicContact CG2-CG2 4.34Å
257	K	92	Very high	90.3	Very high	97 Å²	97	42.2 Å²	42.2	42%	0.422	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	109.1	167.2	-58.8	160.2	-166.7	155.9	0	108.5	S106 C107 I108 F259	S106-K257 PolarHBondContact O-N 3.2Å; C107-K257 WeakPolarHBondContact CA-O 3.01Å; I108-K257 PolarHBondContact N-O 3.21Å; K257-F259 HydrophobicContact CB-CE2 3.86Å
258	V	93.9	Very high	89.8	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.7	173	-174.3	0	0	0	0	110.2	I108 I110 M249 A250 I256 L265	I108-V258 HydrophobicContact CB-CG2 4.48Å; I108-V258 CarbonylContact O-C 3.58Å; I108-V258 WeakPolarHBondContact O-CA 3.28Å; I110-V258 HydrophobicContact CD1-CG1 3.96Å; M249-V258 HydrophobicContact CB-CG2 4.32Å; A250-V258 HydrophobicContact CB-CB 3.91Å; A250-V258 HydrophobicContact CB-CG2 3.7Å; I256-V258 HydrophobicContact CG2-CG2 4.34Å; V258-L265 HydrophobicContact CB-CD1 4.07Å; V258-L265 HydrophobicContact CB-CG 4.36Å; V258-L265 HydrophobicContact CG1-CD1 3.79Å; V258-L265 HydrophobicContact CG1-CG 4.28Å; V258-L265 PolarHBondContact O-N 3.27Å
259	F	95.1	Very high	89.5	Confident	52 Å²	52	51.6 Å²	51.6	23%	0.228	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.4	171.4	-63.6	-106.7	0	0	0	109.4	I108 K109 I110 K257 K263 R264	I108-F259 PolarHBondContact O-N 2.93Å; K109-F259 WeakPolarHBondContact CA-O 3.14Å; K109-F259 HydrophobicContact CB-CB 4.45Å; K109-F259 HydrophobicContact CG-CB 4.2Å; K109-F259 HydrophobicContact CG-CD2 4.33Å; K109-F259 HydrophobicContact CG-CG 4.49Å; I110-F259 PolarHBondContact N-O 3.47Å; K257-F259 HydrophobicContact CB-CE2 3.86Å; F259-K263 CarbonylContact C-O 3.59Å; F259-K263 WeakPolarHBondContact CA-O 3.23Å; F259-R264 HydrophobicContact CD1-CB 3.78Å; F259-R264 HydrophobicContact CD1-CG 4.41Å; F259-R264 HydrophobicContact CE1-CB 3.65Å; F259-R264 HydrophobicContact CE1-CG 4.14Å; F259-R264 HydrophobicContact CG-CB 4.48Å; F259-R264 HydrophobicContact CZ-CB 4.24Å; F259-R264 HydrophobicContact CZ-CG 4.22Å
260	L	93.9	Very high	89.4	Confident	17 Å²	17	51.6 Å²	51.6	9%	0.089	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.4	175.8	-178.3	65.6	0	0	0	108.5	I110 I112 T243 A246 G262 K263 L265	I110-L260 HydrophobicContact CB-CD1 4.14Å; I110-L260 HydrophobicContact CG2-CD1 4.01Å; I110-L260 CarbonylContact O-C 3.58Å; I110-L260 VanDerWaalsContact O-CA 3.27Å; I110-L260 WeakPolarHBondContact O-CA 3.35Å; I112-L260 HydrophobicContact CD1-CD1 3.85Å; I112-L260 HydrophobicContact CG1-CD1 4.41Å; T243-L260 HydrophobicContact CG2-CD2 3.78Å; A246-L260 HydrophobicContact CB-CD1 4.08Å; A246-L260 HydrophobicContact CB-CD2 4.43Å; L260-G262 VanDerWaalsContact C-N 3.26Å; L260-G262 PolarHBondContact O-N 2.97Å; L260-K263 PolarHBondContact N-O 3.46Å; L260-K263 WeakPolarHBondContact O-CB 3.28Å; L260-K263 PolarHBondContact O-N 2.99Å; L260-L265 HydrophobicContact CB-CD2 3.72Å; L260-L265 HydrophobicContact CB-CG 4.44Å; L260-L265 HydrophobicContact CD2-CD2 4.35Å
261	N	93.9	Very high	89.3	Confident	95 Å²	95	53.1 Å²	53.1	51%	0.508	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	48.6	-174.2	-68.5	5	0	0	0	112.2	I110 D111 I112 K263	I110-N261 PolarHBondContact O-N 2.91Å; D111-N261 WeakPolarHBondContact CA-OD1 3.43Å; I112-N261 PolarHBondContact N-OD1 3.13Å; I112-N261 PolarHBondContact O-ND2 2.91Å; I112-N261 PolarHBondContact O-OD1 3.44Å; N261-K263 PolarHBondContact O-N 3.34Å
262	G	91.6	Very high	89.3	Confident	56 Å²	56	55.5 Å²	55.5	58%	0.577	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	-14.9	-174.7	0	0	0	0	0	116.7	L260	L260-G262 VanDerWaalsContact C-N 3.26Å; L260-G262 PolarHBondContact O-N 2.97Å
263	K	92.2	Very high	89.3	Confident	134 Å²	134	55.2 Å²	55.2	58%	0.583	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	123.8	178.1	-176.1	-178.9	176.5	-174.6	0	110.5	F259 L260 N261 L265	F259-K263 CarbonylContact C-O 3.59Å; F259-K263 WeakPolarHBondContact CA-O 3.23Å; L260-K263 PolarHBondContact N-O 3.46Å; L260-K263 WeakPolarHBondContact O-CB 3.28Å; L260-K263 PolarHBondContact O-N 2.99Å; N261-K263 PolarHBondContact O-N 3.34Å; K263-L265 PolarHBondContact O-N 3.44Å
264	R	92.4	Very high	89.6	Confident	137 Å²	137	54.9 Å²	54.9	52%	0.517	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	133.3	174.5	-171.6	-177.3	168.1	-178.8	-1.5	110.4	F259	F259-R264 HydrophobicContact CD1-CB 3.78Å; F259-R264 HydrophobicContact CD1-CG 4.41Å; F259-R264 HydrophobicContact CE1-CB 3.65Å; F259-R264 HydrophobicContact CE1-CG 4.14Å; F259-R264 HydrophobicContact CG-CB 4.48Å; F259-R264 HydrophobicContact CZ-CB 4.24Å; F259-R264 HydrophobicContact CZ-CG 4.22Å
265	L	90.9	Very high	89.9	Confident	9 Å²	9	53.1 Å²	53.1	5%	0.047	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-70.8	144.1	175.1	-58.6	-168.8	0	0	0	111.3	A246 Y247 A250 V258 L260 K263	A246-L265 HydrophobicContact CB-CD1 4.14Å; A246-L265 WeakPolarHBondContact O-CD1 3.33Å; Y247-L265 HydrophobicContact CD2-CD1 3.66Å; Y247-L265 HydrophobicContact CD2-CD2 4.02Å; Y247-L265 HydrophobicContact CD2-CG 4.42Å; Y247-L265 HydrophobicContact CE2-CD1 3.99Å; Y247-L265 HydrophobicContact CE2-CD2 3.45Å; Y247-L265 VanDerWaalsContact CE2-CD2 3.45Å; Y247-L265 HydrophobicContact CE2-CG 4.25Å; Y247-L265 HydrophobicContact CG-CD1 4.08Å; A250-L265 HydrophobicContact CB-CB 4.49Å; A250-L265 HydrophobicContact CB-CD1 4.15Å; V258-L265 HydrophobicContact CB-CD1 4.07Å; V258-L265 HydrophobicContact CB-CG 4.36Å; V258-L265 HydrophobicContact CG1-CD1 3.79Å; V258-L265 HydrophobicContact CG1-CG 4.28Å; V258-L265 PolarHBondContact O-N 3.27Å; L260-L265 HydrophobicContact CB-CD2 3.72Å; L260-L265 HydrophobicContact CB-CG 4.44Å; L260-L265 HydrophobicContact CD2-CD2 4.35Å; K263-L265 PolarHBondContact O-N 3.44Å
266	P	86.8	Confident	90.2	Very high	79 Å²	79	51.3 Å²	51.3	51%	0.513	26%	0.262	S	S	.	.	S	Bend	trans	-78.7	-24.9	-169.8	30.1	-35.5	0	0	0	114.1	Y247	Y247-P266 HydrophobicContact CE1-CG 4.15Å
267	I	87.6	Confident	90.1	Very high	15 Å²	15	51.1 Å²	51.1	8%	0.077	26%	0.26	C	S	.	.			trans	-76.1	145.1	-178.4	57.7	173.6	0	0	0	111.7	Y247 A250 A251 D272 Y273 L276	Y247-I267 HydrophobicContact CD1-CD1 3.79Å; Y247-I267 HydrophobicContact CD1-CG1 4.26Å; Y247-I267 HydrophobicContact CG-CD1 4.29Å; Y247-I267 VanDerWaalsContact O-CD1 3.3Å; Y247-I267 WeakPolarHBondContact O-CD1 3.46Å; A250-I267 HydrophobicContact CB-CD1 3.82Å; A250-I267 HydrophobicContact CB-CG1 3.76Å; A251-I267 HydrophobicContact CB-CD1 4.41Å; I267-D272 HydrophobicContact CB-CB 3.8Å; I267-D272 HydrophobicContact CG2-CB 3.73Å; I267-Y273 HydrophobicContact CD1-CD2 3.98Å; I267-L276 HydrophobicContact CG2-CD1 3.96Å; I267-L276 HydrophobicContact CG2-CG 4.4Å
268	K	83.6	Confident	89.5	Confident	158 Å²	158	47.2 Å²	47.2	69%	0.687	24%	0.244	S	C	*	.			trans	-121.3	-15	-175.4	-53.8	168.7	-172.3	167.4	0	113.5	D272	K268-D272 WeakPolarHBondContact CB-OD2 3.13Å; K268-D272 PolarHBondContact N-OD2 2.83Å
269	N	85.8	Confident	88.2	Confident	50 Å²	50	51.5 Å²	51.5	27%	0.267	26%	0.262	S	S	.	.	S	Bend	trans	-161.8	170.2	-172.3	68.1	80.8	0	0	0	110.7	V271 D272 Y273	N269-V271 VanDerWaalsContact C-N 3.31Å; N269-V271 PolarHBondContact O-N 2.62Å; N269-V271 WeakPolarHBondContact OD1-CA 3.19Å; N269-V271 WeakPolarHBondContact OD1-CB 3.15Å; N269-V271 WeakPolarHBondContact OD1-CG2 3.42Å; N269-V271 PolarHBondContact OD1-N 2.97Å; N269-D272 PolarHBondContact ND2-OD1 3.04Å; N269-D272 PolarHBondContact ND2-OD2 3.19Å; N269-D272 PolarHBondContact O-N 3.09Å; N269-D272 PolarHBondContact OD1-N 3.48Å; N269-Y273 PolarHBondContact O-N 3.2Å
270	F	90	Very high	86.4	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.4	-32.2	-178.9	-168.5	-119.1	0	0	0	114.4	A251 Y273 V274 Y292 Q300 F315 F366 N368	A251-F270 HydrophobicContact CB-CD2 4.3Å; F270-Y273 HydrophobicContact CD2-CD1 4.29Å; F270-Y273 HydrophobicContact CE2-CD1 4.19Å; F270-Y273 HydrophobicContact CE2-CE1 4.48Å; F270-Y273 WeakPolarHBondContact O-CB 3.24Å; F270-Y273 PolarHBondContact O-N 2.83Å; F270-V274 HydrophobicContact CD1-CG2 4.23Å; F270-V274 HydrophobicContact CE1-CG2 4.03Å; F270-V274 HydrophobicContact CZ-CG2 4.21Å; F270-V274 VanDerWaalsContact O-CG2 3.32Å; F270-V274 WeakPolarHBondContact O-CG2 3.3Å; F270-V274 PolarHBondContact O-N 3.44Å; F270-Y292 HydrophobicContact CD1-CE2 4.33Å; F270-Q300 HydrophobicContact CD1-CB 4Å; F270-Q300 HydrophobicContact CE1-CB 4.5Å; F270-F315 AromaticContact CE2-CD2 3.91Å; F270-F315 HydrophobicContact CE2-CD2 3.91Å; F270-F315 HydrophobicContact CE2-CE2 4.05Å; F270-F366 HydrophobicContact CE1-CB 4.06Å; F270-F366 HydrophobicContact CZ-CB 3.88Å; F270-N368 HydrophobicContact CD1-CB 4.16Å; F270-N368 HydrophobicContact CD2-CB 3.81Å; F270-N368 HydrophobicContact CE1-CB 4.06Å; F270-N368 HydrophobicContact CE2-CB 3.73Å; F270-N368 HydrophobicContact CG-CB 4.04Å; F270-N368 HydrophobicContact CZ-CB 3.84Å
271	V	89	Confident	84.4	Confident	38 Å²	38	55.9 Å²	55.9	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-67.8	-43.3	177.4	-166.2	0	0	0	0	110.8	N269 Y273 V274 N275 Y292	N269-V271 VanDerWaalsContact C-N 3.31Å; N269-V271 PolarHBondContact O-N 2.62Å; N269-V271 WeakPolarHBondContact OD1-CA 3.19Å; N269-V271 WeakPolarHBondContact OD1-CB 3.15Å; N269-V271 WeakPolarHBondContact OD1-CG2 3.42Å; N269-V271 PolarHBondContact OD1-N 2.97Å; V271-Y273 PolarHBondContact O-N 2.76Å; V271-V274 PolarHBondContact O-N 3.33Å; V271-N275 PolarHBondContact O-N 3.24Å; V271-N275 PolarHBondContact O-ND2 3.06Å; V271-Y292 HydrophobicContact CG2-CD1 3.54Å; V271-Y292 HydrophobicContact CG2-CD2 3.84Å; V271-Y292 HydrophobicContact CG2-CE1 3.34Å; V271-Y292 HydrophobicContact CG2-CE2 3.65Å; V271-Y292 HydrophobicContact CG2-CG 3.77Å
272	D	88.3	Confident	82.3	Confident	51 Å²	51	60.9 Å²	60.9	27%	0.273	31%	0.309	S	S	.	.	H	α-helix	trans	-57.5	-41.4	176.3	-58.8	-9.8	0	0	0	110.6	I267 K268 N269 N275	I267-D272 HydrophobicContact CB-CB 3.8Å; I267-D272 HydrophobicContact CG2-CB 3.73Å; K268-D272 WeakPolarHBondContact CB-OD2 3.13Å; K268-D272 PolarHBondContact N-OD2 2.83Å; N269-D272 PolarHBondContact ND2-OD1 3.04Å; N269-D272 PolarHBondContact ND2-OD2 3.19Å; N269-D272 PolarHBondContact O-N 3.09Å; N269-D272 PolarHBondContact OD1-N 3.48Å; D272-N275 PolarHBondContact O-N 3.31Å
273	Y	90.7	Very high	80.3	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-65.5	-45.7	175.6	174.2	-94.1	0	0	0	112.8	M73 D248 A251 I267 N269 F270 V271 N275 L276 F277 V313 F315	M73-Y273 HydrophobicContact CE-CD2 4.38Å; M73-Y273 HydrophobicContact CE-CE2 3.83Å; D248-Y273 PolarHBondContact OD1-OH 2.98Å; A251-Y273 HydrophobicContact CB-CD1 3.87Å; A251-Y273 HydrophobicContact CB-CD2 3.57Å; A251-Y273 HydrophobicContact CB-CE2 4.27Å; A251-Y273 HydrophobicContact CB-CG 3.34Å; I267-Y273 HydrophobicContact CD1-CD2 3.98Å; N269-Y273 PolarHBondContact O-N 3.2Å; F270-Y273 HydrophobicContact CD2-CD1 4.29Å; F270-Y273 HydrophobicContact CE2-CD1 4.19Å; F270-Y273 HydrophobicContact CE2-CE1 4.48Å; F270-Y273 WeakPolarHBondContact O-CB 3.24Å; F270-Y273 PolarHBondContact O-N 2.83Å; V271-Y273 PolarHBondContact O-N 2.76Å; Y273-N275 VanDerWaalsContact C-N 3.26Å; Y273-N275 PolarHBondContact O-N 3.4Å; Y273-L276 VanDerWaalsContact O-CB 3.29Å; Y273-L276 WeakPolarHBondContact O-CB 3.34Å; Y273-L276 PolarHBondContact O-N 2.76Å; Y273-F277 AromaticContact CD1-CE2 3.96Å; Y273-F277 HydrophobicContact CD1-CE2 3.96Å; Y273-F277 HydrophobicContact CD2-CE2 4.45Å; Y273-F277 HydrophobicContact CE1-CD2 4.42Å; Y273-F277 AromaticContact CE1-CE2 3.44Å; Y273-F277 HydrophobicContact CE1-CE2 3.44Å; Y273-F277 VanDerWaalsContact CE1-CE2 3.44Å; Y273-F277 HydrophobicContact CE1-CZ 4.01Å; Y273-F277 AromaticContact CE2-CE2 4Å; Y273-F277 HydrophobicContact CE2-CE2 4Å; Y273-F277 HydrophobicContact CE2-CZ 4.4Å; Y273-F277 HydrophobicContact CG-CE2 4.43Å; Y273-F277 AromaticContact CZ-CE2 3.45Å; Y273-F277 VanDerWaalsContact CZ-CE2 3.45Å; Y273-F277 AromaticContact CZ-CZ 3.71Å; Y273-F277 WeakPolarHBondContact O-CD2 3.41Å; Y273-F277 WeakPolarHBondContact OH-CZ 3.36Å; Y273-V313 HydrophobicContact CE1-CG1 4.17Å; Y273-F315 AromaticContact CE1-CE2 3.8Å; Y273-F315 HydrophobicContact CE1-CE2 3.8Å; Y273-F315 HydrophobicContact CE1-CZ 4.13Å; Y273-F315 AromaticContact CZ-CZ 3.93Å; Y273-F315 WeakPolarHBondContact OH-CZ 3.36Å
274	V	90.5	Very high	78.2	Confident	1 Å²	1	64 Å²	64	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-59.8	-35.2	176.3	171.9	0	0	0	0	111.8	F270 V271 L276 F277 I278 V290 A302 F366	F270-V274 HydrophobicContact CD1-CG2 4.23Å; F270-V274 HydrophobicContact CE1-CG2 4.03Å; F270-V274 HydrophobicContact CZ-CG2 4.21Å; F270-V274 VanDerWaalsContact O-CG2 3.32Å; F270-V274 WeakPolarHBondContact O-CG2 3.3Å; F270-V274 PolarHBondContact O-N 3.44Å; V271-V274 PolarHBondContact O-N 3.33Å; V274-L276 PolarHBondContact O-N 3.33Å; V274-F277 PolarHBondContact O-N 3.29Å; V274-I278 HydrophobicContact CG1-CD1 3.73Å; V274-V290 HydrophobicContact CG1-CG1 3.73Å; V274-A302 HydrophobicContact CG1-CB 4.14Å; V274-A302 HydrophobicContact CG2-CB 4.32Å; V274-F366 HydrophobicContact CB-CD1 4.47Å; V274-F366 HydrophobicContact CG1-CD1 4.33Å; V274-F366 HydrophobicContact CG1-CD2 4.11Å; V274-F366 HydrophobicContact CG1-CE1 4.44Å; V274-F366 HydrophobicContact CG1-CE2 4.25Å; V274-F366 HydrophobicContact CG1-CG 4.17Å; V274-F366 HydrophobicContact CG1-CZ 4.4Å; V274-F366 HydrophobicContact CG2-CB 3.83Å; V274-F366 HydrophobicContact CG2-CD1 3.72Å; V274-F366 HydrophobicContact CG2-CE1 4.41Å; V274-F366 HydrophobicContact CG2-CG 3.79Å
275	N	87.8	Confident	75.9	Confident	42 Å²	42	62.3 Å²	62.3	23%	0.225	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-30.1	175.9	-76.7	-83.6	0	0	0	112.8	V271 D272 Y273 F277 I278 K279	V271-N275 PolarHBondContact O-N 3.24Å; V271-N275 PolarHBondContact O-ND2 3.06Å; D272-N275 PolarHBondContact O-N 3.31Å; Y273-N275 VanDerWaalsContact C-N 3.26Å; Y273-N275 PolarHBondContact O-N 3.4Å; N275-F277 PolarHBondContact O-N 3.08Å; N275-I278 PolarHBondContact O-N 3.2Å; N275-K279 PolarHBondContact O-N 3.46Å; N275-K279 WeakPolarHBondContact OD1-CD 3.36Å; N275-K279 VanDerWaalsContact OD1-CE 3.31Å; N275-K279 WeakPolarHBondContact OD1-CE 3.3Å; N275-K279 PolarHBondContact OD1-NZ 3.17Å
276	L	88.4	Confident	73.9	Confident	25 Å²	25	69.4 Å²	69.4	13%	0.131	37%	0.372	C	S	.	.	H	α-helix	trans	-63.4	-21.2	178.2	-56.8	176.2	0	0	0	113.1	H72 M73 Y247 I267 Y273 V274	H72-L276 WeakPolarHBondContact CB-O 3.22Å; M73-L276 HydrophobicContact CE-CD1 4.12Å; M73-L276 HydrophobicContact CG-CB 3.9Å; M73-L276 PolarHBondContact N-O 2.7Å; Y247-L276 HydrophobicContact CD1-CD1 3.68Å; Y247-L276 HydrophobicContact CE1-CD1 4.08Å; I267-L276 HydrophobicContact CG2-CD1 3.96Å; I267-L276 HydrophobicContact CG2-CG 4.4Å; Y273-L276 VanDerWaalsContact O-CB 3.29Å; Y273-L276 WeakPolarHBondContact O-CB 3.34Å; Y273-L276 PolarHBondContact O-N 2.76Å; V274-L276 PolarHBondContact O-N 3.33Å
277	F	87.7	Confident	72.3	Confident	12 Å²	12	68.8 Å²	68.8	5%	0.053	37%	0.37	C	S	.	.	H	α-helix	trans	-90.3	-19.5	179.1	-69.1	-96.8	0	0	0	113.6	W64 M73 Y273 V274 N275 V313 W364 F366	W64-F277 HydrophobicContact CB-CE1 3.75Å; W64-F277 AromaticContact CD2-CD1 3.84Å; W64-F277 HydrophobicContact CD2-CD1 3.84Å; W64-F277 AromaticContact CD2-CE1 3.94Å; W64-F277 HydrophobicContact CD2-CE1 3.94Å; W64-F277 AromaticContact CE3-CD1 3.96Å; W64-F277 HydrophobicContact CE3-CD1 3.96Å; W64-F277 HydrophobicContact CE3-CE1 4.32Å; W64-F277 HydrophobicContact CG-CD1 4.08Å; W64-F277 AromaticContact CG-CE1 3.67Å; W64-F277 HydrophobicContact CG-CE1 3.67Å; M73-F277 HydrophobicContact CB-CD1 3.81Å; M73-F277 HydrophobicContact CB-CE1 3.97Å; M73-F277 HydrophobicContact CB-CG 4.12Å; M73-F277 HydrophobicContact CB-CZ 4.37Å; M73-F277 HydrophobicContact CE-CE2 4.1Å; M73-F277 HydrophobicContact CE-CZ 4.08Å; M73-F277 HydrophobicContact CG-CD1 3.97Å; M73-F277 HydrophobicContact CG-CD2 3.94Å; M73-F277 HydrophobicContact CG-CE1 3.82Å; M73-F277 HydrophobicContact CG-CE2 3.74Å; M73-F277 HydrophobicContact CG-CG 4.03Å; M73-F277 HydrophobicContact CG-CZ 3.69Å; M73-F277 HydrophobicContact SD-CZ 4.19Å; Y273-F277 AromaticContact CD1-CE2 3.96Å; Y273-F277 HydrophobicContact CD1-CE2 3.96Å; Y273-F277 HydrophobicContact CD2-CE2 4.45Å; Y273-F277 HydrophobicContact CE1-CD2 4.42Å; Y273-F277 AromaticContact CE1-CE2 3.44Å; Y273-F277 HydrophobicContact CE1-CE2 3.44Å; Y273-F277 VanDerWaalsContact CE1-CE2 3.44Å; Y273-F277 HydrophobicContact CE1-CZ 4.01Å; Y273-F277 AromaticContact CE2-CE2 4Å; Y273-F277 HydrophobicContact CE2-CE2 4Å; Y273-F277 HydrophobicContact CE2-CZ 4.4Å; Y273-F277 HydrophobicContact CG-CE2 4.43Å; Y273-F277 AromaticContact CZ-CE2 3.45Å; Y273-F277 VanDerWaalsContact CZ-CE2 3.45Å; Y273-F277 AromaticContact CZ-CZ 3.71Å; Y273-F277 WeakPolarHBondContact O-CD2 3.41Å; Y273-F277 WeakPolarHBondContact OH-CZ 3.36Å; V274-F277 PolarHBondContact O-N 3.29Å; N275-F277 PolarHBondContact O-N 3.08Å; F277-V313 HydrophobicContact CE1-CG2 4.21Å; F277-V313 HydrophobicContact CZ-CG1 4.45Å; F277-W364 HydrophobicContact CB-CH2 3.75Å; F277-W364 HydrophobicContact CB-CZ2 3.89Å; F277-W364 HydrophobicContact CD1-CH2 4.18Å; F277-W364 AromaticContact CD1-CZ2 3.74Å; F277-W364 HydrophobicContact CD1-CZ2 3.74Å; F277-W364 HydrophobicContact CG-CH2 4.44Å; F277-W364 HydrophobicContact CG-CZ2 4.19Å; F277-W364 WeakPolarHBondContact O-CH2 3.47Å; F277-F366 HydrophobicContact CB-CE1 4.06Å; F277-F366 HydrophobicContact CB-CZ 3.85Å; F277-F366 HydrophobicContact CD1-CE1 4.29Å; F277-F366 AromaticContact CD2-CE1 3.78Å; F277-F366 HydrophobicContact CD2-CE1 3.78Å; F277-F366 HydrophobicContact CD2-CZ 4.43Å; F277-F366 HydrophobicContact CE2-CE1 4.3Å; F277-F366 AromaticContact CG-CE1 3.78Å; F277-F366 HydrophobicContact CG-CE1 3.78Å; F277-F366 HydrophobicContact CG-CZ 4.06Å
278	I	79.1	Confident	71	Confident	16 Å²	16	70.8 Å²	70.8	8%	0.082	38%	0.382	C	S	.	.	H	α-helix	trans	-124.3	-18.2	-159.4	-56.9	171.2	0	0	0	112.7	V274 N275 P280 V288 V290 A304 W364 F366	V274-I278 HydrophobicContact CG1-CD1 3.73Å; N275-I278 PolarHBondContact O-N 3.2Å; I278-P280 WeakPolarHBondContact O-CD 3.37Å; I278-V288 HydrophobicContact CG2-CB 3.72Å; I278-V288 HydrophobicContact CG2-CG1 4.04Å; I278-V290 HydrophobicContact CB-CG2 4.13Å; I278-V290 HydrophobicContact CD1-CG1 4.39Å; I278-V290 HydrophobicContact CD1-CG2 3.59Å; I278-V290 HydrophobicContact CG1-CG2 4.46Å; I278-V290 HydrophobicContact CG2-CG2 3.76Å; I278-A304 HydrophobicContact CD1-CB 3.74Å; I278-W364 HydrophobicContact CG1-CZ3 4.35Å; I278-F366 HydrophobicContact CD1-CE2 3.76Å; I278-F366 HydrophobicContact CD1-CZ 4Å; I278-F366 HydrophobicContact CG1-CZ 4.37Å
279	K	67.7	Low	70.4	Confident	93 Å²	93	69.9 Å²	69.9	40%	0.404	38%	0.378	S	S	.	.			trans	-122.7	67.8	179.9	-64.8	179.2	-176.8	160.8	0	112.2	N275	N275-K279 PolarHBondContact O-N 3.46Å; N275-K279 WeakPolarHBondContact OD1-CD 3.36Å; N275-K279 VanDerWaalsContact OD1-CE 3.31Å; N275-K279 WeakPolarHBondContact OD1-CE 3.3Å; N275-K279 PolarHBondContact OD1-NZ 3.17Å
280	P	56.3	Low	70.3	Confident	69 Å²	69	69.3 Å²	69.3	45%	0.448	38%	0.377	S	S	.	.	S	Bend	trans	-64.9	-40.7	175.3	27	-33.7	0	0	0	111.9	H72 I278	H72-P280 VanDerWaalsContact CD2-CA 3.42Å; H72-P280 WeakPolarHBondContact CD2-CA 3.48Å; H72-P280 VanDerWaalsContact CD2-CB 3.5Å; H72-P280 WeakPolarHBondContact CD2-CB 3.38Å; H72-P280 WeakPolarHBondContact NE2-CB 3.4Å; I278-P280 WeakPolarHBondContact O-CD 3.37Å
281	N	51.4	Low	70.3	Confident	92 Å²	92	69.7 Å²	69.7	49%	0.492	38%	0.379	S	S	.	.			trans	-105.5	147.9	174.9	-67.5	-18	0	0	0	111.3	D284	N281-D284 HydrophobicContact CB-CB 4.49Å; N281-D284 VanDerWaalsContact CB-OD2 3.29Å; N281-D284 WeakPolarHBondContact CB-OD2 3.34Å; N281-D284 PolarHBondContact ND2-OD2 2.8Å
282	K	51.3	Low	70.5	Confident	200 Å²	200	71.3 Å²	71.3	87%	0.87	38%	0.381	S	S	*	.	S	Bend	trans	-95.3	-17.2	169.5	-75.1	179.6	-179.6	169.1	0	113.6
283	D	49.6	Very low	70.7	Confident	155 Å²	155	70.7 Å²	70.7	83%	0.829	38%	0.377	S	S	*	.	S	Bend	trans	-96.8	-12	-168.8	-52.3	-62	0	0	0	113.3	A285	D283-A285 PolarHBondContact O-N 3.25Å
284	D	48.3	Very low	70.7	Confident	100 Å²	100	73.4 Å²	73.4	54%	0.535	40%	0.4	S	S	.	.			trans	-77.7	108	170.9	-73.5	-58.1	0	0	0	110.7	N281 D286 S287	N281-D284 HydrophobicContact CB-CB 4.49Å; N281-D284 VanDerWaalsContact CB-OD2 3.29Å; N281-D284 WeakPolarHBondContact CB-OD2 3.34Å; N281-D284 PolarHBondContact ND2-OD2 2.8Å; D284-D286 PolarHBondContact O-N 2.7Å; D284-S287 PolarHBondContact O-N 2.69Å
285	A	42.2	Very low	70.7	Confident	101 Å²	101	75 Å²	75	84%	0.835	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.6	-177.5	0	0	0	0	0	114.1	D283 S287	D283-A285 PolarHBondContact O-N 3.25Å; A285-S287 PolarHBondContact O-N 3.34Å; A285-S287 VanDerWaalsContact O-N 3.08Å
286	D	49.9	Very low	70.9	Confident	159 Å²	159	75.8 Å²	75.8	85%	0.85	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	38.1	176.1	-78.2	-37.9	0	0	0	113.2	D284 V288	D284-D286 PolarHBondContact O-N 2.7Å; D286-V288 PolarHBondContact O-N 3.02Å
287	S	53.2	Low	70.8	Confident	66 Å²	66	83.9 Å²	83.9	46%	0.462	45%	0.451	S	S	.	.			trans	-54.9	123.9	179.1	70.6	0	0	0	0	111.9	D284 A285 K289	D284-S287 PolarHBondContact O-N 2.69Å; A285-S287 PolarHBondContact O-N 3.34Å; A285-S287 VanDerWaalsContact O-N 3.08Å; S287-K289 PolarHBondContact O-N 2.97Å
288	V	60.2	Low	71	Confident	57 Å²	57	86.6 Å²	86.6	35%	0.345	46%	0.461	S	S	.	.			trans	-60.2	125.1	-174	175.8	0	0	0	0	110.2	I278 D286 V290 A304 V305	I278-V288 HydrophobicContact CG2-CB 3.72Å; I278-V288 HydrophobicContact CG2-CG1 4.04Å; D286-V288 PolarHBondContact O-N 3.02Å; V288-V290 PolarHBondContact O-N 2.95Å; V288-A304 HydrophobicContact CG1-CB 4.18Å; V288-V305 HydrophobicContact CG1-CB 4.17Å; V288-V305 HydrophobicContact CG1-CG2 4.47Å
289	K	70.9	Confident	71.7	Confident	138 Å²	138	85.9 Å²	85.9	60%	0.6	46%	0.457	S	S	*	.			trans	-74.8	90.8	-173.1	-72.6	174.6	-177.3	164.1	0	111.6	S287 V291	S287-K289 PolarHBondContact O-N 2.97Å; K289-V291 PolarHBondContact O-N 3Å
290	V	84.3	Confident	73	Confident	38 Å²	38	82.7 Å²	82.7	23%	0.23	44%	0.444	C	S	.	.			trans	-61.5	124	166.4	-168.1	0	0	0	0	109.5	V274 I278 V288 A302	V274-V290 HydrophobicContact CG1-CG1 3.73Å; I278-V290 HydrophobicContact CB-CG2 4.13Å; I278-V290 HydrophobicContact CD1-CG1 4.39Å; I278-V290 HydrophobicContact CD1-CG2 3.59Å; I278-V290 HydrophobicContact CG1-CG2 4.46Å; I278-V290 HydrophobicContact CG2-CG2 3.76Å; V288-V290 PolarHBondContact O-N 2.95Å; V290-A302 HydrophobicContact CG1-CB 4.08Å
291	V	90	Very high	74.9	Confident	8 Å²	8	79.4 Å²	79.4	5%	0.048	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.8	172.1	-176.5	0	0	0	0	107.5	K289 A302 V303 F401 Q404	K289-V291 PolarHBondContact O-N 3Å; V291-A302 CarbonylContact O-C 3.59Å; V291-A302 WeakPolarHBondContact O-CA 3.39Å; V291-V303 HydrophobicContact CB-CG1 4.03Å; V291-V303 PolarHBondContact N-O 3Å; V291-V303 PolarHBondContact O-N 3.43Å; V291-F401 HydrophobicContact CB-CE2 4.39Å; V291-F401 HydrophobicContact CG1-CD2 3.63Å; V291-F401 HydrophobicContact CG1-CE2 3.82Å; V291-F401 HydrophobicContact CG1-CG 4.19Å; V291-F401 HydrophobicContact CG1-CZ 4.49Å; V291-Q404 HydrophobicContact CB-CB 4.4Å; V291-Q404 HydrophobicContact CG1-CB 3.53Å; V291-Q404 HydrophobicContact CG2-CB 3.92Å
292	Y	92.8	Very high	76.9	Confident	73 Å²	73	75 Å²	75	29%	0.286	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.7	-173.7	166	-100.7	0	0	0	111.8	F270 V271 A294 Q300 V301 A302	F270-Y292 HydrophobicContact CD1-CE2 4.33Å; V271-Y292 HydrophobicContact CG2-CD1 3.54Å; V271-Y292 HydrophobicContact CG2-CD2 3.84Å; V271-Y292 HydrophobicContact CG2-CE1 3.34Å; V271-Y292 HydrophobicContact CG2-CE2 3.65Å; V271-Y292 HydrophobicContact CG2-CG 3.77Å; Y292-A294 HydrophobicContact CE1-CB 4.48Å; Y292-Q300 HydrophobicContact CE2-CB 4.2Å; Y292-V301 WeakPolarHBondContact CA-O 3.5Å; Y292-V301 VanDerWaalsContact CD2-O 3.3Å; Y292-V301 WeakPolarHBondContact CD2-O 3Å; Y292-A302 HydrophobicContact CD2-CB 4.15Å
293	E	92.5	Very high	78.9	Confident	37 Å²	37	65.5 Å²	65.5	17%	0.173	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	128.2	173.4	-177.4	160.5	-104.3	0	0	111.2	V295 V301 L397 S398 F401	E293-V295 HydrophobicContact CB-CG2 4.39Å; E293-V295 HydrophobicContact CG-CG2 3.89Å; E293-V295 PolarHBondContact O-N 3.35Å; E293-V301 PolarHBondContact N-O 3.5Å; E293-V301 PolarHBondContact O-N 2.97Å; E293-L397 WeakPolarHBondContact OE2-CA 3.21Å; E293-S398 WeakPolarHBondContact OE1-CB 3.31Å; E293-S398 PolarHBondContact OE1-OG 2.6Å; E293-S398 PolarHBondContact OE2-N 2.9Å; E293-F401 HydrophobicContact CB-CB 4.45Å; E293-F401 HydrophobicContact CB-CD2 3.54Å; E293-F401 HydrophobicContact CB-CE2 4.12Å; E293-F401 HydrophobicContact CB-CG 4.28Å; E293-F401 WeakPolarHBondContact OE2-CB 3.41Å
294	A	91.7	Very high	80.9	Confident	59 Å²	59	58.1 Å²	58.1	49%	0.488	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	90.4	163.2	0	0	0	0	0	107.7	Y292 N296 Q300	Y292-A294 HydrophobicContact CE1-CB 4.48Å; A294-N296 VanDerWaalsContact C-N 3.33Å; A294-N296 PolarHBondContact O-N 3.21Å; A294-Q300 HydrophobicContact CB-CG 4.44Å
295	V	90.4	Very high	82.8	Confident	34 Å²	34	54.3 Å²	54.3	21%	0.206	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	-39.5	-171.3	178.9	0	0	0	0	111.4	E293 W299 V301 T396 L397	E293-V295 HydrophobicContact CB-CG2 4.39Å; E293-V295 HydrophobicContact CG-CG2 3.89Å; E293-V295 PolarHBondContact O-N 3.35Å; V295-W299 HydrophobicContact CB-CB 4.15Å; V295-W299 PolarHBondContact N-O 3.42Å; V295-V301 HydrophobicContact CG2-CG2 4.41Å; V295-T396 WeakPolarHBondContact CG1-O 3.49Å; V295-L397 HydrophobicContact CG2-CD2 3.77Å
296	N	90.7	Very high	85	Confident	60 Å²	60	49.6 Å²	49.6	32%	0.321	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	-175.4	169.5	57.4	60	0	0	0	110	A294 R298 W299 T394	A294-N296 VanDerWaalsContact C-N 3.33Å; A294-N296 PolarHBondContact O-N 3.21Å; N296-R298 PolarHBondContact O-N 2.96Å; N296-R298 WeakPolarHBondContact OD1-CA 3.48Å; N296-R298 PolarHBondContact OD1-N 3.33Å; N296-W299 PolarHBondContact N-O 3.41Å; N296-W299 PolarHBondContact O-N 2.85Å; N296-W299 VanDerWaalsContact O-N 3.16Å; N296-W299 PolarHBondContact OD1-N 3.17Å; N296-T394 PolarHBondContact ND2-O 2.91Å
297	Q	87.4	Confident	86.5	Confident	195 Å²	195	48.5 Å²	48.5	91%	0.911	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.6	-179.9	-64.7	-178.2	-2.8	0	0	114.7
298	R	91.5	Very high	87.8	Confident	68 Å²	68	50.5 Å²	50.5	26%	0.257	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-2.6	-179.4	-68	-172.2	169.5	177.7	-6.2	114.2	N296 C369 L370 E372 G392	N296-R298 PolarHBondContact O-N 2.96Å; N296-R298 WeakPolarHBondContact OD1-CA 3.48Å; N296-R298 PolarHBondContact OD1-N 3.33Å; R298-C369 CarbonylContact O-C 3.59Å; R298-C369 WeakPolarHBondContact O-CA 3.1Å; R298-L370 HydrophobicContact CB-CB 4.06Å; R298-L370 HydrophobicContact CG-CB 3.98Å; R298-L370 PolarHBondContact O-N 3.36Å; R298-E372 IonicContact CZ-OE1 2.81Å; R298-E372 VanDerWaalsContact CZ-OE1 3.22Å; R298-E372 IonicContact NH1-OE1 2.67Å; R298-E372 PolarHBondContact NH1-OE1 3.24Å; R298-E372 IonicContact NH2-OE1 3.14Å; R298-E372 PolarHBondContact NH2-OE1 2.69Å; R298-G392 PolarHBondContact NH1-O 2.96Å
299	W	94.4	Very high	89.1	Confident	1 Å²	1	49 Å²	49	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	120.3	-175.9	-70.6	85.5	0	0	0	113.1	V295 N296 H327 Y330 V331 V367 C369 I371 F391 S393 C395	V295-W299 HydrophobicContact CB-CB 4.15Å; V295-W299 PolarHBondContact N-O 3.42Å; N296-W299 PolarHBondContact N-O 3.41Å; N296-W299 PolarHBondContact O-N 2.85Å; N296-W299 VanDerWaalsContact O-N 3.16Å; N296-W299 PolarHBondContact OD1-N 3.17Å; W299-H327 HydrophobicContact CH2-CB 3.84Å; W299-H327 HydrophobicContact CZ3-CB 4.18Å; W299-Y330 HydrophobicContact CH2-CD1 4.14Å; W299-V331 HydrophobicContact CE3-CG2 4.19Å; W299-V331 HydrophobicContact CZ3-CG2 3.8Å; W299-V367 HydrophobicContact CE3-CG1 4.04Å; W299-V367 HydrophobicContact CZ3-CG1 3.93Å; W299-C369 HydrophobicContact CD2-CB 3.76Å; W299-C369 HydrophobicContact CE3-CB 3.61Å; W299-C369 HydrophobicContact CG-CB 4.44Å; W299-C369 HydrophobicContact CH2-CB 4.08Å; W299-C369 HydrophobicContact CZ2-CB 4.21Å; W299-C369 HydrophobicContact CZ3-CB 3.79Å; W299-I371 HydrophobicContact CH2-CD1 4.06Å; W299-I371 HydrophobicContact CZ2-CD1 3.57Å; W299-F391 HydrophobicContact CH2-CD2 4.02Å; W299-F391 HydrophobicContact CH2-CE2 4.02Å; W299-F391 AromaticContact CZ2-CD2 3.71Å; W299-F391 HydrophobicContact CZ2-CD2 3.71Å; W299-F391 HydrophobicContact CZ2-CE2 4.19Å; W299-F391 HydrophobicContact CZ2-CG 4.46Å; W299-S393 PolarHBondContact NE1-OG 2.94Å; W299-C395 HydrophobicContact CB-CB 4.38Å; W299-C395 HydrophobicContact CD2-CB 3.54Å; W299-C395 HydrophobicContact CE3-CB 3.72Å; W299-C395 HydrophobicContact CG-CB 3.82Å; W299-C395 HydrophobicContact CZ2-CB 4.44Å; W299-C395 HydrophobicContact CZ3-CB 4.25Å
300	Q	94.5	Very high	90.1	Very high	27 Å²	27	45.3 Å²	45.3	13%	0.126	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126.8	170.3	-69.1	170.2	-22.1	0	0	108.8	F270 Y292 A294 V367 N368	F270-Q300 HydrophobicContact CD1-CB 4Å; F270-Q300 HydrophobicContact CE1-CB 4.5Å; Y292-Q300 HydrophobicContact CE2-CB 4.2Å; A294-Q300 HydrophobicContact CB-CG 4.44Å; Q300-V367 WeakPolarHBondContact O-CA 3.44Å; Q300-N368 HydrophobicContact CB-CB 4.27Å; Q300-N368 PolarHBondContact N-O 2.9Å; Q300-N368 PolarHBondContact O-N 3.18Å; Q300-N368 PolarHBondContact OE1-ND2 3.29Å
301	V	95.4	Very high	90.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.9	-177.3	179.7	0	0	0	0	109.8	Y292 E293 V295 V331 L365 F366 L397 F401	Y292-V301 WeakPolarHBondContact CA-O 3.5Å; Y292-V301 VanDerWaalsContact CD2-O 3.3Å; Y292-V301 WeakPolarHBondContact CD2-O 3Å; E293-V301 PolarHBondContact N-O 3.5Å; E293-V301 PolarHBondContact O-N 2.97Å; V295-V301 HydrophobicContact CG2-CG2 4.41Å; V301-V331 HydrophobicContact CB-CG1 4.5Å; V301-V331 HydrophobicContact CG1-CG1 3.66Å; V301-V331 HydrophobicContact CG2-CG1 3.96Å; V301-V331 HydrophobicContact CG2-CG2 4.32Å; V301-L365 HydrophobicContact CG1-CD1 4.03Å; V301-F366 CarbonylContact C-O 3.59Å; V301-F366 WeakPolarHBondContact CA-O 3.31Å; V301-L397 HydrophobicContact CB-CD2 4.15Å; V301-L397 HydrophobicContact CG1-CD2 4.19Å; V301-L397 HydrophobicContact CG2-CD2 4.26Å; V301-F401 HydrophobicContact CG1-CE2 4.42Å; V301-F401 HydrophobicContact CG1-CZ 3.91Å
302	A	93.9	Very high	90.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.1	162	0	0	0	0	0	111.5	V274 V290 V291 Y292 F366	V274-A302 HydrophobicContact CG1-CB 4.14Å; V274-A302 HydrophobicContact CG2-CB 4.32Å; V290-A302 HydrophobicContact CG1-CB 4.08Å; V291-A302 CarbonylContact O-C 3.59Å; V291-A302 WeakPolarHBondContact O-CA 3.39Å; Y292-A302 HydrophobicContact CD2-CB 4.15Å; A302-F366 HydrophobicContact CB-CB 4.18Å; A302-F366 PolarHBondContact N-O 3.44Å; A302-F366 PolarHBondContact O-N 3.11Å
303	V	93.2	Very high	90.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	143.1	173.5	70.2	0	0	0	0	110.8	V291 M363 W364 L365 F401 A405 I410	V291-V303 HydrophobicContact CB-CG1 4.03Å; V291-V303 PolarHBondContact N-O 3Å; V291-V303 PolarHBondContact O-N 3.43Å; V303-M363 HydrophobicContact CG2-CB 4.35Å; V303-M363 HydrophobicContact CG2-CE 4.13Å; V303-M363 HydrophobicContact CG2-CG 4.42Å; V303-W364 WeakPolarHBondContact CA-O 3.28Å; V303-L365 HydrophobicContact CB-CD1 4.26Å; V303-L365 HydrophobicContact CG2-CD1 4.4Å; V303-F401 HydrophobicContact CB-CZ 4.13Å; V303-F401 HydrophobicContact CG1-CE1 3.99Å; V303-F401 HydrophobicContact CG1-CE2 4.33Å; V303-F401 HydrophobicContact CG1-CZ 3.56Å; V303-A405 HydrophobicContact CG1-CB 4.1Å; V303-I410 HydrophobicContact CG2-CD1 4.02Å
304	A	90.7	Very high	90.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	173.5	173.8	0	0	0	0	0	110.8	I278 V288 W364	I278-A304 HydrophobicContact CD1-CB 3.74Å; V288-A304 HydrophobicContact CG1-CB 4.18Å; A304-W364 HydrophobicContact CB-CB 4.5Å; A304-W364 PolarHBondContact N-O 2.87Å; A304-W364 PolarHBondContact O-N 3.33Å
305	V	89.5	Confident	90.9	Very high	20 Å²	20	40 Å²	40	12%	0.121	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	135.2	173.9	179.2	0	0	0	0	109.9	V288 S408 I410 N413	V288-V305 HydrophobicContact CG1-CB 4.17Å; V288-V305 HydrophobicContact CG1-CG2 4.47Å; V305-S408 WeakPolarHBondContact CG2-O 3.3Å; V305-I410 HydrophobicContact CG2-CG1 3.86Å; V305-N413 VanDerWaalsContact CG1-ND2 3.34Å; V305-N413 WeakPolarHBondContact CG1-ND2 3.43Å
306	S	88.1	Confident	91.1	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.014	20%	0.199	C	C	.	.			trans	-109.5	142.1	164.5	-178.6	0	0	0	0	111.6	T308 G309 H362	S306-T308 PolarHBondContact OG-N 3.49Å; S306-G309 VanDerWaalsContact CB-O 3.23Å; S306-G309 WeakPolarHBondContact CB-O 3.26Å; S306-G309 PolarHBondContact OG-O 3.49Å; S306-H362 PolarHBondContact N-O 2.91Å
307	N	80.8	Confident	91.1	Very high	136 Å²	136	35.7 Å²	35.7	73%	0.727	19%	0.185	S	C	*	.	S	Bend	trans	-106.1	-8.5	175.9	-65.8	-28.3	0	0	0	113
308	T	81.6	Confident	91.3	Very high	108 Å²	108	27 Å²	27	66%	0.663	15%	0.146	S	C	*	.	S	Bend	trans	-119.1	9.8	-168.3	47.2	0	0	0	0	114	S306 Q311	S306-T308 PolarHBondContact OG-N 3.49Å; T308-Q311 PolarHBondContact OG1-NE2 2.88Å; T308-Q311 VanDerWaalsContact OG1-NE2 3.14Å
309	G	86.9	Confident	91.2	Very high	26 Å²	26	23.9 Å²	23.9	27%	0.268	13%	0.134	S	C	.	.	S	Bend	trans	108.9	-179.3	-173	0	0	0	0	0	112	S306 Q311 N361	S306-G309 VanDerWaalsContact CB-O 3.23Å; S306-G309 WeakPolarHBondContact CB-O 3.26Å; S306-G309 PolarHBondContact OG-O 3.49Å; G309-Q311 PolarHBondContact O-N 3.34Å; G309-N361 CarbonylContact C-O 3.53Å; G309-N361 VanDerWaalsContact CA-O 3.23Å; G309-N361 WeakPolarHBondContact CA-O 2.8Å
310	F	92	Very high	91	Very high	60 Å²	60	24.4 Å²	24.4	26%	0.263	14%	0.139	S	C	.	.			trans	-63.6	121.2	178	177.7	-118.9	0	0	0	110.2	Q312 I328 K360 N361 M363 L365	F310-Q312 HydrophobicContact CE1-CB 4.2Å; F310-Q312 HydrophobicContact CZ-CB 4.15Å; F310-I328 HydrophobicContact CE1-CG2 3.97Å; F310-I328 HydrophobicContact CZ-CG2 3.81Å; F310-K360 HydrophobicContact CB-CG 4.47Å; F310-K360 WeakPolarHBondContact CB-O 3.38Å; F310-K360 HydrophobicContact CD1-CG 4.48Å; F310-K360 HydrophobicContact CD2-CG 3.78Å; F310-K360 VanDerWaalsContact CD2-O 3.25Å; F310-K360 WeakPolarHBondContact CD2-O 2.98Å; F310-K360 HydrophobicContact CE2-CG 4.09Å; F310-K360 HydrophobicContact CG-CG 3.99Å; F310-N361 PolarHBondContact N-O 2.72Å; F310-M363 HydrophobicContact CD2-CB 4.32Å; F310-M363 WeakPolarHBondContact CD2-O 3.33Å; F310-L365 HydrophobicContact CE2-CB 4.09Å; F310-L365 HydrophobicContact CZ-CB 4.42Å; F310-L365 HydrophobicContact CZ-CD2 4.44Å
311	Q	91.4	Very high	90.9	Very high	40 Å²	40	23.2 Å²	23.2	19%	0.187	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144.6	177	-70.9	-172	-39	0	0	110	T308 G309 M363 W364 L365	T308-Q311 PolarHBondContact OG1-NE2 2.88Å; T308-Q311 VanDerWaalsContact OG1-NE2 3.14Å; G309-Q311 PolarHBondContact O-N 3.34Å; Q311-M363 PolarHBondContact N-O 2.91Å; Q311-M363 VanDerWaalsContact N-O 3.14Å; Q311-W364 HydrophobicContact CB-CB 4.24Å; Q311-W364 VanDerWaalsContact CB-CD1 3.45Å; Q311-W364 HydrophobicContact CB-CD2 4.15Å; Q311-W364 HydrophobicContact CB-CG 3.69Å; Q311-W364 CarbonylContact O-C 3.5Å; Q311-W364 WeakPolarHBondContact O-CA 3.31Å; Q311-L365 PolarHBondContact O-N 2.99Å
312	Q	93.5	Very high	90.6	Very high	37 Å²	37	26.3 Å²	26.3	17%	0.173	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	144.3	-178.2	80.6	82.2	14.8	0	0	111.5	F310 S314 T321 T322 I328 L365	F310-Q312 HydrophobicContact CE1-CB 4.2Å; F310-Q312 HydrophobicContact CZ-CB 4.15Å; Q312-S314 PolarHBondContact OE1-OG 2.98Å; Q312-T321 PolarHBondContact NE2-O 3.12Å; Q312-T322 VanDerWaalsContact NE2-C 3.28Å; Q312-T322 PolarHBondContact NE2-O 3.08Å; Q312-I328 HydrophobicContact CB-CD1 4.21Å; Q312-L365 CarbonylContact C-O 3.58Å; Q312-L365 VanDerWaalsContact CA-O 3.24Å; Q312-L365 WeakPolarHBondContact CA-O 2.99Å
313	V	93.7	Very high	90.3	Very high	18 Å²	18	32.6 Å²	32.6	11%	0.109	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	104.4	168.3	180	0	0	0	0	108	Y273 F277 F315 L365 F366 V367	Y273-V313 HydrophobicContact CE1-CG1 4.17Å; F277-V313 HydrophobicContact CE1-CG2 4.21Å; F277-V313 HydrophobicContact CZ-CG1 4.45Å; V313-F315 HydrophobicContact CG1-CE2 3.94Å; V313-F315 HydrophobicContact CG1-CZ 4.17Å; V313-L365 PolarHBondContact N-O 3.15Å; V313-F366 HydrophobicContact CB-CD1 3.69Å; V313-F366 HydrophobicContact CB-CE1 3.94Å; V313-F366 HydrophobicContact CG1-CD1 4.28Å; V313-F366 HydrophobicContact CG2-CD1 4.13Å; V313-F366 HydrophobicContact CG2-CE1 3.85Å; V313-F366 WeakPolarHBondContact O-CA 3.04Å; V313-V367 PolarHBondContact O-N 2.7Å; V313-V367 VanDerWaalsContact O-N 3.09Å
314	S	94.8	Very high	90.3	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.028	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.9	-177.7	59.8	0	0	0	0	116.5	Q312 T321 H327 V367	Q312-S314 PolarHBondContact OE1-OG 2.98Å; S314-T321 VanDerWaalsContact C-OG1 3.29Å; S314-T321 WeakPolarHBondContact CB-OG1 3.46Å; S314-T321 PolarHBondContact O-N 2.89Å; S314-T321 PolarHBondContact O-OG1 2.79Å; S314-T321 PolarHBondContact OG-O 3.12Å; S314-T321 PolarHBondContact OG-OG1 3.48Å; S314-H327 PolarHBondContact OG-NE2 3.17Å; S314-H327 VanDerWaalsContact OG-NE2 3.07Å; S314-V367 CarbonylContact C-O 3.57Å; S314-V367 WeakPolarHBondContact CA-O 3.48Å; S314-V367 WeakPolarHBondContact CB-O 3.35Å
315	F	94.5	Very high	90.4	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.013	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.5	178.3	-57.4	-79.5	0	0	0	111.3	D248 T252 F270 Y273 V313 I319 A320 V367 C369	D248-F315 HydrophobicContact CB-CE1 3.75Å; D248-F315 HydrophobicContact CB-CZ 3.92Å; T252-F315 HydrophobicContact CG2-CB 3.51Å; T252-F315 HydrophobicContact CG2-CD1 3.66Å; T252-F315 HydrophobicContact CG2-CD2 3.61Å; T252-F315 HydrophobicContact CG2-CE1 4.27Å; T252-F315 HydrophobicContact CG2-CE2 4.22Å; T252-F315 HydrophobicContact CG2-CG 3.28Å; F270-F315 AromaticContact CE2-CD2 3.91Å; F270-F315 HydrophobicContact CE2-CD2 3.91Å; F270-F315 HydrophobicContact CE2-CE2 4.05Å; Y273-F315 AromaticContact CE1-CE2 3.8Å; Y273-F315 HydrophobicContact CE1-CE2 3.8Å; Y273-F315 HydrophobicContact CE1-CZ 4.13Å; Y273-F315 AromaticContact CZ-CZ 3.93Å; Y273-F315 WeakPolarHBondContact OH-CZ 3.36Å; V313-F315 HydrophobicContact CG1-CE2 3.94Å; V313-F315 HydrophobicContact CG1-CZ 4.17Å; F315-I319 CarbonylContact C-O 3.59Å; F315-I319 VanDerWaalsContact CA-O 3.22Å; F315-I319 WeakPolarHBondContact CA-O 3.28Å; F315-A320 HydrophobicContact CD1-CB 4.11Å; F315-A320 HydrophobicContact CE1-CB 3.84Å; F315-V367 PolarHBondContact N-O 3.47Å; F315-C369 PolarHBondContact O-N 2.92Å; F315-C369 PolarHBondContact O-SG 2.98Å; F315-C369 VanDerWaalsContact O-SG 3.34Å
316	V	93.7	Very high	90.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	114	175.8	175.1	0	0	0	0	107.2	S318 I319 T321 H327 C369 I371 P374 F376 M384	V316-S318 PolarHBondContact O-N 3.38Å; V316-I319 PolarHBondContact N-O 3.01Å; V316-I319 VanDerWaalsContact O-CB 3.23Å; V316-I319 WeakPolarHBondContact O-CB 2.91Å; V316-I319 PolarHBondContact O-N 3.43Å; V316-T321 HydrophobicContact CB-CG2 4.2Å; V316-T321 HydrophobicContact CG2-CG2 3.82Å; V316-H327 WeakPolarHBondContact CG2-NE2 3.18Å; V316-C369 WeakPolarHBondContact CA-O 3.36Å; V316-I371 HydrophobicContact CG1-CB 4Å; V316-I371 HydrophobicContact CG1-CG1 3.85Å; V316-P374 HydrophobicContact CG1-CB 3.99Å; V316-P374 HydrophobicContact CG1-CG 4.27Å; V316-F376 HydrophobicContact CB-CZ 4.48Å; V316-F376 HydrophobicContact CG1-CE1 4.49Å; V316-F376 HydrophobicContact CG1-CZ 4.12Å; V316-M384 HydrophobicContact CB-SD 4.44Å; V316-M384 HydrophobicContact CG1-SD 3.77Å; V316-M384 HydrophobicContact CG2-SD 3.82Å
317	N	91.8	Very high	91	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	45	-176.4	-56.5	-4.3	0	0	0	111.7	V161 T162 I319 C369 L370 I371	V161-N317 VanDerWaalsContact C-CG 3.45Å; V161-N317 WeakPolarHBondContact CA-ND2 3.36Å; V161-N317 WeakPolarHBondContact O-CB 3.43Å; V161-N317 PolarHBondContact O-ND2 3.25Å; T162-N317 PolarHBondContact N-ND2 3.19Å; T162-N317 PolarHBondContact O-ND2 2.71Å; N317-I319 PolarHBondContact O-N 2.85Å; N317-I319 VanDerWaalsContact O-N 3.09Å; N317-C369 PolarHBondContact N-O 3.2Å; N317-L370 WeakPolarHBondContact OD1-CA 3.25Å; N317-I371 PolarHBondContact ND2-O 3.47Å; N317-I371 PolarHBondContact OD1-N 3.14Å; N317-I371 PolarHBondContact OD1-O 2.68Å
318	S	90.6	Very high	91.7	Very high	13 Å²	13	27.5 Å²	27.5	9%	0.091	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	-3.4	-171.9	-54.8	0	0	0	0	117.4	R245 M249 T252 C253 V316	R245-S318 PolarHBondContact NH1-O 2.96Å; R245-S318 PolarHBondContact NH2-O 3.25Å; M249-S318 WeakPolarHBondContact CE-O 3.41Å; T252-S318 WeakPolarHBondContact CB-OG 3.43Å; T252-S318 VanDerWaalsContact OG1-CB 3.29Å; T252-S318 WeakPolarHBondContact OG1-CB 3.46Å; T252-S318 PolarHBondContact OG1-OG 3Å; C253-S318 PolarHBondContact SG-OG 3.24Å; V316-S318 PolarHBondContact O-N 3.38Å
319	I	90.4	Very high	92.3	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	130.5	170.3	-58.5	159.9	0	0	0	109.5	V93 F315 V316 N317 T321 F376 K381	V93-I319 HydrophobicContact CG1-CG1 4.29Å; V93-I319 HydrophobicContact CG2-CG1 4.32Å; F315-I319 CarbonylContact C-O 3.59Å; F315-I319 VanDerWaalsContact CA-O 3.22Å; F315-I319 WeakPolarHBondContact CA-O 3.28Å; V316-I319 PolarHBondContact N-O 3.01Å; V316-I319 VanDerWaalsContact O-CB 3.23Å; V316-I319 WeakPolarHBondContact O-CB 2.91Å; V316-I319 PolarHBondContact O-N 3.43Å; N317-I319 PolarHBondContact O-N 2.85Å; N317-I319 VanDerWaalsContact O-N 3.09Å; I319-T321 PolarHBondContact O-N 3.1Å; I319-F376 HydrophobicContact CD1-CE2 4Å; I319-F376 HydrophobicContact CD1-CZ 3.65Å; I319-K381 HydrophobicContact CD1-CB 4.34Å; I319-K381 HydrophobicContact CD1-CD 3.61Å; I319-K381 HydrophobicContact CG1-CD 4.34Å; I319-K381 HydrophobicContact CG2-CB 3.74Å
320	A	90.8	Very high	92.7	Very high	13 Å²	13	26.6 Å²	26.6	11%	0.107	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	105.7	173.8	0	0	0	0	0	111.2	F315 T322	F315-A320 HydrophobicContact CD1-CB 4.11Å; F315-A320 HydrophobicContact CE1-CB 3.84Å; A320-T322 VanDerWaalsContact C-N 3.32Å; A320-T322 HydrophobicContact CB-CG2 4.43Å; A320-T322 PolarHBondContact O-N 3.39Å; A320-T322 VanDerWaalsContact O-N 3.11Å
321	T	92	Very high	92.8	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	13%	0.125	C	C	.	.			trans	-87	73.1	176.5	36.8	0	0	0	0	109.8	Q312 S314 V316 I319 K323 G324 H327 F376 E382	Q312-T321 PolarHBondContact NE2-O 3.12Å; S314-T321 VanDerWaalsContact C-OG1 3.29Å; S314-T321 WeakPolarHBondContact CB-OG1 3.46Å; S314-T321 PolarHBondContact O-N 2.89Å; S314-T321 PolarHBondContact O-OG1 2.79Å; S314-T321 PolarHBondContact OG-O 3.12Å; S314-T321 PolarHBondContact OG-OG1 3.48Å; V316-T321 HydrophobicContact CB-CG2 4.2Å; V316-T321 HydrophobicContact CG2-CG2 3.82Å; I319-T321 PolarHBondContact O-N 3.1Å; T321-K323 VanDerWaalsContact C-N 3.25Å; T321-K323 PolarHBondContact O-N 3.39Å; T321-G324 PolarHBondContact O-N 3.33Å; T321-H327 PolarHBondContact OG1-NE2 2.82Å; T321-F376 HydrophobicContact CG2-CD1 4.42Å; T321-F376 HydrophobicContact CG2-CE1 3.85Å; T321-E382 CarbonylContact C-O 3.09Å; T321-E382 WeakPolarHBondContact CA-O 3.29Å; T321-E382 WeakPolarHBondContact CB-O 3.39Å
322	T	88.1	Confident	93	Very high	65 Å²	65	21.9 Å²	21.9	40%	0.399	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.4	-175.3	52.3	0	0	0	0	113.9	Q312 A320 E382	Q312-T322 VanDerWaalsContact NE2-C 3.28Å; Q312-T322 PolarHBondContact NE2-O 3.08Å; A320-T322 VanDerWaalsContact C-N 3.32Å; A320-T322 HydrophobicContact CB-CG2 4.43Å; A320-T322 PolarHBondContact O-N 3.39Å; A320-T322 VanDerWaalsContact O-N 3.11Å; T322-E382 PolarHBondContact N-O 3.12Å; T322-E382 WeakPolarHBondContact OG1-CB 3.21Å; T322-E382 WeakPolarHBondContact OG1-CG 3.23Å
323	K	88.7	Confident	93	Very high	133 Å²	133	23.1 Å²	23.1	58%	0.578	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-2.3	175.7	-70.1	168.2	-177.6	158.3	0	113	T321 E382 N383	T321-K323 VanDerWaalsContact C-N 3.25Å; T321-K323 PolarHBondContact O-N 3.39Å; K323-E382 HydrophobicContact CB-CB 4.33Å; K323-E382 HydrophobicContact CD-CB 3.93Å; K323-E382 WeakPolarHBondContact CE-OE2 3.45Å; K323-E382 HydrophobicContact CG-CB 4.22Å; K323-E382 PolarHBondContact N-O 3.28Å; K323-E382 IonicContact NZ-OE1 3.24Å; K323-E382 IonicContact NZ-OE2 3.54Å; K323-E382 PolarHBondContact NZ-OE2 2.91Å; K323-N383 HydrophobicContact CB-CB 3.93Å
324	G	92.7	Very high	92.9	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.7	-133.9	178.4	0	0	0	0	0	112.1	T321 H327 N383 M384	T321-G324 PolarHBondContact O-N 3.33Å; G324-H327 PolarHBondContact O-CE1 3.45Å; G324-H327 VanDerWaalsContact O-CE1 3.23Å; G324-N383 VanDerWaalsContact O-CA 3.31Å; G324-N383 WeakPolarHBondContact O-CA 3.3Å; G324-M384 PolarHBondContact O-N 3.19Å
325	G	93.7	Very high	92.9	Very high	10 Å²	10	24.6 Å²	24.6	10%	0.103	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.1	-161.6	179.6	0	0	0	0	0	113.6	H327 I328 N329 N383 M384	G325-H327 VanDerWaalsContact C-N 3.31Å; G325-H327 PolarHBondContact O-N 2.95Å; G325-I328 PolarHBondContact O-N 2.91Å; G325-N329 PolarHBondContact O-N 3Å; G325-N383 WeakPolarHBondContact CA-OD1 3.41Å; G325-M384 VanDerWaalsContact CA-O 3.25Å; G325-M384 WeakPolarHBondContact CA-O 3.49Å
326	T	95.6	Very high	92.8	Very high	33 Å²	33	24.5 Å²	24.5	20%	0.202	13%	0.13	C	C	.	.	H	α-helix	trans	-64.8	-30.3	-178.3	54.1	0	0	0	0	113.7	Y330 M384 L386	T326-Y330 VanDerWaalsContact O-CB 3.3Å; T326-Y330 WeakPolarHBondContact O-CB 3.45Å; T326-Y330 PolarHBondContact O-N 2.85Å; T326-M384 PolarHBondContact N-O 3.27Å; T326-M384 VanDerWaalsContact OG1-CE 3.26Å; T326-M384 WeakPolarHBondContact OG1-CE 3.39Å; T326-M384 PolarHBondContact OG1-O 3.46Å; T326-L386 VanDerWaalsContact CB-O 3.26Å; T326-L386 WeakPolarHBondContact CB-O 3.19Å; T326-L386 WeakPolarHBondContact CG2-O 3.33Å; T326-L386 PolarHBondContact OG1-O 2.79Å
327	H	94.8	Very high	92.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.7	-43	173.2	58.2	-54.8	0	0	0	112.3	W299 S314 V316 T321 G324 G325 Y330 V331 M384 F391	W299-H327 HydrophobicContact CH2-CB 3.84Å; W299-H327 HydrophobicContact CZ3-CB 4.18Å; S314-H327 PolarHBondContact OG-NE2 3.17Å; S314-H327 VanDerWaalsContact OG-NE2 3.07Å; V316-H327 WeakPolarHBondContact CG2-NE2 3.18Å; T321-H327 PolarHBondContact OG1-NE2 2.82Å; G324-H327 PolarHBondContact O-CE1 3.45Å; G324-H327 VanDerWaalsContact O-CE1 3.23Å; G325-H327 VanDerWaalsContact C-N 3.31Å; G325-H327 PolarHBondContact O-N 2.95Å; H327-Y330 PolarHBondContact O-N 3.31Å; H327-V331 WeakPolarHBondContact O-CG2 3.08Å; H327-V331 PolarHBondContact O-N 2.65Å; H327-M384 HydrophobicContact CB-CE 3.73Å; H327-F391 HydrophobicContact CB-CZ 4.39Å
328	I	95.6	Very high	92.6	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.026	17%	0.174	C	C	.	.	H	α-helix	trans	-61.3	-46.9	175.7	-78.4	-59.1	0	0	0	110.8	F310 Q312 G325 V331 S332 L365 V367	F310-I328 HydrophobicContact CE1-CG2 3.97Å; F310-I328 HydrophobicContact CZ-CG2 3.81Å; Q312-I328 HydrophobicContact CB-CD1 4.21Å; G325-I328 PolarHBondContact O-N 2.91Å; I328-V331 PolarHBondContact O-N 2.78Å; I328-S332 WeakPolarHBondContact O-CB 3.4Å; I328-S332 PolarHBondContact O-N 3.44Å; I328-S332 PolarHBondContact O-OG 3.43Å; I328-L365 HydrophobicContact CD1-CD2 4.22Å; I328-V367 HydrophobicContact CD1-CB 4.18Å; I328-V367 HydrophobicContact CD1-CG2 3.79Å
329	N	93.7	Very high	92.6	Very high	74 Å²	74	33.2 Å²	33.2	40%	0.396	17%	0.17	S	C	.	.	H	α-helix	trans	-64.6	-44.7	179	-71.2	-37.4	0	0	0	112	G325 V331 S332 D333 K360	G325-N329 PolarHBondContact O-N 3Å; N329-V331 VanDerWaalsContact C-N 3.26Å; N329-V331 PolarHBondContact O-N 2.83Å; N329-S332 WeakPolarHBondContact CA-OG 3.47Å; N329-S332 PolarHBondContact O-N 3.34Å; N329-S332 PolarHBondContact O-OG 2.89Å; N329-D333 VanDerWaalsContact O-CB 3.27Å; N329-D333 WeakPolarHBondContact O-CB 3.44Å; N329-D333 PolarHBondContact O-N 3.12Å; N329-K360 PolarHBondContact OD1-NZ 3.25Å
330	Y	94.9	Very high	92.5	Very high	42 Å²	42	34 Å²	34	17%	0.165	17%	0.174	C	C	.	.	H	α-helix	trans	-55.5	-37.9	177.1	174.7	-133	0	0	0	113.5	W299 T326 H327 Q334 I388 F391 C395	W299-Y330 HydrophobicContact CH2-CD1 4.14Å; T326-Y330 VanDerWaalsContact O-CB 3.3Å; T326-Y330 WeakPolarHBondContact O-CB 3.45Å; T326-Y330 PolarHBondContact O-N 2.85Å; H327-Y330 PolarHBondContact O-N 3.31Å; Y330-Q334 WeakPolarHBondContact O-CG 3.05Å; Y330-Q334 PolarHBondContact O-NE2 2.89Å; Y330-I388 HydrophobicContact CD1-CG2 4.15Å; Y330-I388 HydrophobicContact CD2-CD1 3.99Å; Y330-I388 HydrophobicContact CD2-CG2 3.82Å; Y330-I388 HydrophobicContact CE1-CG2 4.2Å; Y330-I388 HydrophobicContact CE2-CG2 3.92Å; Y330-I388 HydrophobicContact CG-CD1 4.13Å; Y330-I388 HydrophobicContact CG-CG1 4.35Å; Y330-I388 HydrophobicContact CG-CG2 3.95Å; Y330-F391 HydrophobicContact CD1-CD2 4.16Å; Y330-F391 AromaticContact CD1-CE2 3.74Å; Y330-F391 HydrophobicContact CD1-CE2 3.74Å; Y330-F391 HydrophobicContact CE1-CD2 4.41Å; Y330-F391 HydrophobicContact CE1-CE2 4.41Å; Y330-F391 HydrophobicContact CG-CE2 4.27Å; Y330-C395 HydrophobicContact CD1-CB 4.27Å; Y330-C395 HydrophobicContact CE1-CB 3.56Å; Y330-C395 PolarHBondContact OH-N 2.94Å; Y330-C395 PolarHBondContact OH-O 2.94Å
331	V	94.9	Very high	92.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-80.7	-45.2	176.3	177.6	0	0	0	0	111.6	W299 V301 H327 I328 N329 D333 I335 L365 V367 L397	W299-V331 HydrophobicContact CE3-CG2 4.19Å; W299-V331 HydrophobicContact CZ3-CG2 3.8Å; V301-V331 HydrophobicContact CB-CG1 4.5Å; V301-V331 HydrophobicContact CG1-CG1 3.66Å; V301-V331 HydrophobicContact CG2-CG1 3.96Å; V301-V331 HydrophobicContact CG2-CG2 4.32Å; H327-V331 WeakPolarHBondContact O-CG2 3.08Å; H327-V331 PolarHBondContact O-N 2.65Å; I328-V331 PolarHBondContact O-N 2.78Å; N329-V331 VanDerWaalsContact C-N 3.26Å; N329-V331 PolarHBondContact O-N 2.83Å; V331-D333 VanDerWaalsContact C-N 3.33Å; V331-D333 PolarHBondContact O-N 2.98Å; V331-I335 HydrophobicContact CG1-CD1 4.23Å; V331-I335 WeakPolarHBondContact O-CG1 3.37Å; V331-L365 HydrophobicContact CB-CD2 4.28Å; V331-L365 HydrophobicContact CG1-CD1 4Å; V331-L365 HydrophobicContact CG1-CD2 4.07Å; V331-V367 HydrophobicContact CB-CG2 4.41Å; V331-V367 HydrophobicContact CG1-CG2 4.28Å; V331-V367 HydrophobicContact CG2-CG2 4.4Å; V331-L397 HydrophobicContact CG1-CD1 4.34Å
332	S	94.3	Very high	92	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-38.7	-176.6	64.7	0	0	0	0	112.7	I328 N329 I335 V336 K360	I328-S332 WeakPolarHBondContact O-CB 3.4Å; I328-S332 PolarHBondContact O-N 3.44Å; I328-S332 PolarHBondContact O-OG 3.43Å; N329-S332 WeakPolarHBondContact CA-OG 3.47Å; N329-S332 PolarHBondContact O-N 3.34Å; N329-S332 PolarHBondContact O-OG 2.89Å; S332-I335 PolarHBondContact O-N 2.78Å; S332-V336 WeakPolarHBondContact O-CB 3.38Å; S332-V336 VanDerWaalsContact O-CG2 3.29Å; S332-V336 WeakPolarHBondContact O-CG2 3.26Å; S332-V336 PolarHBondContact O-N 3.07Å; S332-K360 WeakPolarHBondContact OG-CE 3.19Å; S332-K360 PolarHBondContact OG-NZ 2.83Å
333	D	92.9	Very high	91.8	Very high	64 Å²	64	36.6 Å²	36.6	34%	0.342	18%	0.183	S	C	.	.	H	α-helix	trans	-78.7	-29	-168.3	-58.5	-9	0	0	0	110.8	N329 V331 N337 K360	N329-D333 VanDerWaalsContact O-CB 3.27Å; N329-D333 WeakPolarHBondContact O-CB 3.44Å; N329-D333 PolarHBondContact O-N 3.12Å; V331-D333 VanDerWaalsContact C-N 3.33Å; V331-D333 PolarHBondContact O-N 2.98Å; D333-N337 WeakPolarHBondContact O-CB 3.47Å; D333-N337 PolarHBondContact O-N 2.89Å; D333-N337 PolarHBondContact O-ND2 2.83Å; D333-K360 IonicContact OD1-NZ 2.71Å; D333-K360 PolarHBondContact OD1-NZ 2.83Å
334	Q	92.9	Very high	91.4	Very high	52 Å²	52	35.5 Å²	35.5	24%	0.243	18%	0.178	C	C	.	.	H	α-helix	trans	-58.7	-47.3	166	-74	-179	71.2	0	0	112.1	Y330 K338 C395	Y330-Q334 WeakPolarHBondContact O-CG 3.05Å; Y330-Q334 PolarHBondContact O-NE2 2.89Å; Q334-K338 PolarHBondContact O-N 3.34Å; Q334-C395 PolarHBondContact NE2-O 3.2Å; Q334-C395 PolarHBondContact OE1-O 3.47Å
335	I	93.6	Very high	90.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.3	-48.8	179.5	-59.3	166.9	0	0	0	110.1	V331 S332 N337 K338 L339 M363 L365 L397 F401 I402	V331-I335 HydrophobicContact CG1-CD1 4.23Å; V331-I335 WeakPolarHBondContact O-CG1 3.37Å; S332-I335 PolarHBondContact O-N 2.78Å; I335-N337 PolarHBondContact O-N 3.13Å; I335-K338 PolarHBondContact O-N 3.39Å; I335-L339 HydrophobicContact CG2-CD1 3.73Å; I335-L339 HydrophobicContact CG2-CG 4.06Å; I335-L339 WeakPolarHBondContact O-CB 3.01Å; I335-L339 WeakPolarHBondContact O-CG 3.41Å; I335-L339 PolarHBondContact O-N 3.37Å; I335-M363 HydrophobicContact CB-CE 3.82Å; I335-M363 HydrophobicContact CD1-CE 3.89Å; I335-M363 HydrophobicContact CG1-CE 4.47Å; I335-M363 HydrophobicContact CG2-CE 3.67Å; I335-M363 HydrophobicContact CG2-SD 4.11Å; I335-L365 HydrophobicContact CD1-CD1 3.89Å; I335-L397 HydrophobicContact CD1-CD1 3.83Å; I335-L397 HydrophobicContact CG1-CD1 3.4Å; I335-L397 VanDerWaalsContact CG1-CD1 3.4Å; I335-F401 HydrophobicContact CD1-CE1 3.87Å; I335-F401 HydrophobicContact CD1-CZ 4.4Å; I335-F401 HydrophobicContact CG1-CE1 4.12Å; I335-I402 HydrophobicContact CG1-CD1 4.41Å
336	V	93.2	Very high	90	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-44.1	-178.7	165.8	0	0	0	0	111.7	S332 L339 M340 P356 I359 K360 M363	S332-V336 WeakPolarHBondContact O-CB 3.38Å; S332-V336 VanDerWaalsContact O-CG2 3.29Å; S332-V336 WeakPolarHBondContact O-CG2 3.26Å; S332-V336 PolarHBondContact O-N 3.07Å; V336-L339 PolarHBondContact O-N 3.41Å; V336-M340 WeakPolarHBondContact O-CB 3.16Å; V336-M340 PolarHBondContact O-N 3.29Å; V336-P356 HydrophobicContact CG1-CB 3.77Å; V336-P356 WeakPolarHBondContact CG1-O 3.42Å; V336-I359 HydrophobicContact CG1-CB 4.3Å; V336-I359 HydrophobicContact CG2-CG2 4.32Å; V336-K360 HydrophobicContact CG2-CB 3.88Å; V336-K360 HydrophobicContact CG2-CG 4.29Å; V336-M363 HydrophobicContact CG2-SD 3.67Å
337	N	91.2	Very high	88.7	Confident	92 Å²	92	47.6 Å²	47.6	49%	0.492	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-48.9	179.5	-70.7	-17	0	0	0	111.4	D333 I335 L339 M340 D341	D333-N337 WeakPolarHBondContact O-CB 3.47Å; D333-N337 PolarHBondContact O-N 2.89Å; D333-N337 PolarHBondContact O-ND2 2.83Å; I335-N337 PolarHBondContact O-N 3.13Å; N337-L339 PolarHBondContact O-N 2.97Å; N337-M340 WeakPolarHBondContact O-CB 3.3Å; N337-M340 PolarHBondContact O-N 3.3Å; N337-D341 PolarHBondContact O-N 3.11Å
338	K	90.9	Very high	86.6	Confident	107 Å²	107	50 Å²	50	47%	0.465	25%	0.252	S	S	.	.	H	α-helix	trans	-64.9	-37.9	177.7	-72.4	-75.8	-173	168.4	0	112.9	Q334 I335 I402	Q334-K338 PolarHBondContact O-N 3.34Å; I335-K338 PolarHBondContact O-N 3.39Å; K338-I402 HydrophobicContact CB-CD1 4.07Å; K338-I402 HydrophobicContact CB-CG1 4.35Å; K338-I402 HydrophobicContact CB-CG2 3.81Å; K338-I402 HydrophobicContact CG-CD1 4.36Å; K338-I402 HydrophobicContact CG-CG1 4.4Å; K338-I402 HydrophobicContact CG-CG2 4.48Å
339	L	90	Very high	84.6	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-69.1	-33.1	174.4	-71.3	-175.4	0	0	0	112	I335 V336 N337 D341 I342 V343 I359 I410 V411	I335-L339 HydrophobicContact CG2-CD1 3.73Å; I335-L339 HydrophobicContact CG2-CG 4.06Å; I335-L339 WeakPolarHBondContact O-CB 3.01Å; I335-L339 WeakPolarHBondContact O-CG 3.41Å; I335-L339 PolarHBondContact O-N 3.37Å; V336-L339 PolarHBondContact O-N 3.41Å; N337-L339 PolarHBondContact O-N 2.97Å; L339-D341 VanDerWaalsContact C-N 3.32Å; L339-D341 PolarHBondContact O-N 3.29Å; L339-I342 HydrophobicContact CD2-CD1 4.37Å; L339-I342 PolarHBondContact O-N 3.3Å; L339-V343 WeakPolarHBondContact O-CG2 3.25Å; L339-V343 PolarHBondContact O-N 3.49Å; L339-I359 HydrophobicContact CB-CG2 4.1Å; L339-I359 HydrophobicContact CD1-CG2 4.22Å; L339-I410 HydrophobicContact CD1-CG2 3.99Å; L339-V411 HydrophobicContact CD2-CG2 3.98Å
340	M	88.1	Confident	82.7	Confident	19 Å²	19	56.4 Å²	56.4	9%	0.094	28%	0.28	C	S	.	.	H	α-helix	trans	-59.4	-41.7	178.6	-175.3	177.4	-68.8	0	0	112.1	V336 N337 I342 V343 K344 P356 I359	V336-M340 WeakPolarHBondContact O-CB 3.16Å; V336-M340 PolarHBondContact O-N 3.29Å; N337-M340 WeakPolarHBondContact O-CB 3.3Å; N337-M340 PolarHBondContact O-N 3.3Å; M340-I342 VanDerWaalsContact C-N 3.31Å; M340-I342 PolarHBondContact O-N 2.82Å; M340-V343 PolarHBondContact O-N 3.44Å; M340-K344 HydrophobicContact CG-CD 4.01Å; M340-K344 HydrophobicContact CG-CG 4.25Å; M340-K344 WeakPolarHBondContact O-CB 3.47Å; M340-K344 VanDerWaalsContact O-CG 3.3Å; M340-K344 WeakPolarHBondContact O-CG 3.24Å; M340-K344 PolarHBondContact O-N 3.09Å; M340-K344 VanDerWaalsContact SD-CE 3.51Å; M340-K344 PolarHBondContact SD-NZ 2.75Å; M340-K344 VanDerWaalsContact SD-NZ 3.39Å; M340-P356 HydrophobicContact CE-CB 4.1Å; M340-P356 HydrophobicContact CE-CG 3.72Å; M340-I359 HydrophobicContact CB-CD1 3.69Å; M340-I359 HydrophobicContact CE-CD1 4.31Å; M340-I359 HydrophobicContact CG-CD1 4.14Å
341	D	85.8	Confident	80.7	Confident	84 Å²	84	58 Å²	58	45%	0.449	31%	0.309	S	S	.	.	H	α-helix	trans	-67.1	-34.1	178.6	-64.6	-27.6	0	0	0	112.3	N337 L339 K345	N337-D341 PolarHBondContact O-N 3.11Å; L339-D341 VanDerWaalsContact C-N 3.32Å; L339-D341 PolarHBondContact O-N 3.29Å; D341-K345 WeakPolarHBondContact O-CB 3.49Å; D341-K345 VanDerWaalsContact O-CG 3.27Å; D341-K345 WeakPolarHBondContact O-CG 3.34Å; D341-K345 PolarHBondContact O-N 2.85Å; D341-K345 VanDerWaalsContact O-N 3.13Å
342	I	85.7	Confident	79.2	Confident	49 Å²	49	60.2 Å²	60.2	25%	0.251	32%	0.322	S	S	.	.	H	α-helix	trans	-68.6	-44.3	174	-61.4	173.5	0	0	0	110.5	L339 M340 K345 K346 V411	L339-I342 HydrophobicContact CD2-CD1 4.37Å; L339-I342 PolarHBondContact O-N 3.3Å; M340-I342 VanDerWaalsContact C-N 3.31Å; M340-I342 PolarHBondContact O-N 2.82Å; I342-K345 PolarHBondContact O-N 2.87Å; I342-K346 PolarHBondContact O-N 2.79Å; I342-V411 HydrophobicContact CG2-CG1 4.47Å
343	V	84.6	Confident	78	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.006	36%	0.36	C	S	.	.	H	α-helix	trans	-65.7	-46.7	177.8	-178.9	0	0	0	0	110.4	L339 M340 K345 K346 S347 I354 I359 V411 V414 L415 I418	L339-V343 WeakPolarHBondContact O-CG2 3.25Å; L339-V343 PolarHBondContact O-N 3.49Å; M340-V343 PolarHBondContact O-N 3.44Å; V343-K345 VanDerWaalsContact C-N 3.27Å; V343-K345 PolarHBondContact O-N 2.94Å; V343-K346 CarbonylContact O-C 3.52Å; V343-K346 PolarHBondContact O-N 2.88Å; V343-K346 VanDerWaalsContact O-N 3.07Å; V343-S347 VanDerWaalsContact O-CB 3.26Å; V343-S347 WeakPolarHBondContact O-CB 3.44Å; V343-S347 PolarHBondContact O-N 3.09Å; V343-S347 PolarHBondContact O-OG 3.11Å; V343-S347 VanDerWaalsContact O-OG 3.05Å; V343-I354 HydrophobicContact CG1-CD1 3.59Å; V343-I359 HydrophobicContact CG2-CD1 4.46Å; V343-V411 HydrophobicContact CG2-CG1 4.16Å; V343-V411 HydrophobicContact CG2-CG2 4.34Å; V343-V414 HydrophobicContact CG1-CG1 3.77Å; V343-V414 HydrophobicContact CG2-CG1 4.04Å; V343-L415 HydrophobicContact CG1-CD2 4.16Å; V343-I418 HydrophobicContact CG1-CD1 3.79Å
344	K	80.4	Confident	77.2	Confident	109 Å²	109	66.4 Å²	66.4	47%	0.474	35%	0.35	S	S	.	.	H	α-helix	trans	-53.6	-42.8	175.6	-77.6	170.2	179	164.7	0	111.9	M340	M340-K344 HydrophobicContact CG-CD 4.01Å; M340-K344 HydrophobicContact CG-CG 4.25Å; M340-K344 WeakPolarHBondContact O-CB 3.47Å; M340-K344 VanDerWaalsContact O-CG 3.3Å; M340-K344 WeakPolarHBondContact O-CG 3.24Å; M340-K344 PolarHBondContact O-N 3.09Å; M340-K344 VanDerWaalsContact SD-CE 3.51Å; M340-K344 PolarHBondContact SD-NZ 2.75Å; M340-K344 VanDerWaalsContact SD-NZ 3.39Å
345	K	80.3	Confident	76.8	Confident	179 Å²	179	69.8 Å²	69.8	78%	0.778	36%	0.364	S	S	*	.	H	α-helix	trans	-66.3	-44.2	175.1	-73.7	172.1	-178.8	179.5	0	112.4	D341 I342 V343	D341-K345 WeakPolarHBondContact O-CB 3.49Å; D341-K345 VanDerWaalsContact O-CG 3.27Å; D341-K345 WeakPolarHBondContact O-CG 3.34Å; D341-K345 PolarHBondContact O-N 2.85Å; D341-K345 VanDerWaalsContact O-N 3.13Å; I342-K345 PolarHBondContact O-N 2.87Å; V343-K345 VanDerWaalsContact C-N 3.27Å; V343-K345 PolarHBondContact O-N 2.94Å
346	K	76.9	Confident	76.5	Confident	104 Å²	104	73.1 Å²	73.1	45%	0.452	39%	0.385	S	S	.	.	H	α-helix	trans	-72.5	-24.5	177.3	-76.9	-172.7	179.4	174.7	0	114.2	I342 V343 V411 E412 L415	I342-K346 PolarHBondContact O-N 2.79Å; V343-K346 CarbonylContact O-C 3.52Å; V343-K346 PolarHBondContact O-N 2.88Å; V343-K346 VanDerWaalsContact O-N 3.07Å; K346-V411 HydrophobicContact CD-CG1 3.63Å; K346-E412 IonicContact NZ-OE1 2.79Å; K346-E412 PolarHBondContact NZ-OE1 3.01Å; K346-L415 HydrophobicContact CB-CD1 3.81Å; K346-L415 HydrophobicContact CB-CD2 4.21Å; K346-L415 HydrophobicContact CD-CD1 3.65Å; K346-L415 HydrophobicContact CG-CD1 4.39Å
347	S	67.9	Low	76.3	Confident	16 Å²	16	78.4 Å²	78.4	11%	0.112	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	9.3	-173.7	72.5	0	0	0	0	114.5	V343 S350	V343-S347 VanDerWaalsContact O-CB 3.26Å; V343-S347 WeakPolarHBondContact O-CB 3.44Å; V343-S347 PolarHBondContact O-N 3.09Å; V343-S347 PolarHBondContact O-OG 3.11Å; V343-S347 VanDerWaalsContact O-OG 3.05Å; S347-S350 WeakPolarHBondContact O-CB 3.32Å; S347-S350 PolarHBondContact O-N 2.7Å; S347-S350 VanDerWaalsContact O-N 3.09Å; S347-S350 PolarHBondContact O-OG 2.83Å
348	G	51.9	Low	76.1	Confident	52 Å²	52	75.4 Å²	75.4	54%	0.536	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	143.6	-178.7	0	0	0	0	0	113.2	S350	G348-S350 VanDerWaalsContact C-N 3.26Å; G348-S350 PolarHBondContact O-N 2.92Å
349	K	53.7	Low	76.1	Confident	179 Å²	179	70.3 Å²	70.3	78%	0.778	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	-12	-170.6	-50.8	-176.9	178.1	-174.6	0	117.6	G351	K349-G351 VanDerWaalsContact C-N 3.31Å; K349-G351 PolarHBondContact O-N 3.29Å
350	S	52.9	Low	76.2	Confident	34 Å²	34	71.9 Å²	71.9	24%	0.238	38%	0.376	C	S	.	.			trans	-65.9	-23.5	-172.2	-56.2	0	0	0	0	115.9	S347 G348 V352 N501	S347-S350 WeakPolarHBondContact O-CB 3.32Å; S347-S350 PolarHBondContact O-N 2.7Å; S347-S350 VanDerWaalsContact O-N 3.09Å; S347-S350 PolarHBondContact O-OG 2.83Å; G348-S350 VanDerWaalsContact C-N 3.26Å; G348-S350 PolarHBondContact O-N 2.92Å; S350-V352 VanDerWaalsContact C-N 3.33Å; S350-V352 PolarHBondContact O-N 3.01Å; S350-N501 PolarHBondContact O-ND2 3.48Å; S350-N501 VanDerWaalsContact O-ND2 3.13Å
351	G	53.6	Low	76.3	Confident	74 Å²	74	74.4 Å²	74.4	76%	0.763	39%	0.39	S	S	*	.			trans	75.3	8.4	176.6	0	0	0	0	0	116.5	K349	K349-G351 VanDerWaalsContact C-N 3.31Å; K349-G351 PolarHBondContact O-N 3.29Å
352	V	63.2	Low	76.5	Confident	47 Å²	47	71.9 Å²	71.9	29%	0.285	38%	0.375	S	S	.	.			trans	-107.1	120.3	178.9	-179.5	0	0	0	0	109.8	S350 I418 A422	S350-V352 VanDerWaalsContact C-N 3.33Å; S350-V352 PolarHBondContact O-N 3.01Å; V352-I418 HydrophobicContact CB-CG2 4.21Å; V352-I418 HydrophobicContact CG2-CG2 4.46Å; V352-A422 HydrophobicContact CG2-CB 4.16Å
353	Q	67.8	Low	76.8	Confident	171 Å²	171	69.5 Å²	69.5	80%	0.799	36%	0.363	S	S	*	.			trans	-71.6	134.4	170.7	-71.5	-178.4	-12	0	0	110.7
354	I	76.2	Confident	77.2	Confident	23 Å²	23	70.5 Å²	70.5	12%	0.118	37%	0.367	C	S	.	.			trans	-108.3	127.9	-175.8	-55.3	156.8	0	0	0	109.1	V343 I359 I418	V343-I354 HydrophobicContact CG1-CD1 3.59Å; I354-I359 HydrophobicContact CG2-CD1 4.29Å; I354-I359 HydrophobicContact CG2-CG1 4.21Å; I354-I418 HydrophobicContact CD1-CD1 3.52Å; I354-I418 HydrophobicContact CG1-CD1 3.85Å; I354-I418 HydrophobicContact CG1-CG1 4.34Å
355	K	85.1	Confident	77.9	Confident	123 Å²	123	65.3 Å²	65.3	54%	0.535	34%	0.344	S	S	.	.			trans	-102.3	148.5	178.9	-65.4	-165.6	174.2	-165.1	0	111.2	F357 Q358	K355-F357 VanDerWaalsContact C-N 3.3Å; K355-F357 HydrophobicContact CB-CD1 3.8Å; K355-F357 HydrophobicContact CB-CE1 3.67Å; K355-F357 HydrophobicContact CD-CE1 4.2Å; K355-F357 HydrophobicContact CG-CE1 4.47Å; K355-F357 PolarHBondContact O-N 3.3Å; K355-F357 VanDerWaalsContact O-N 3.13Å; K355-Q358 HydrophobicContact CB-CG 4.5Å; K355-Q358 VanDerWaalsContact O-CB 3.31Å; K355-Q358 WeakPolarHBondContact O-CB 3.27Å; K355-Q358 PolarHBondContact O-N 2.92Å
356	P	87.8	Confident	78.6	Confident	70 Å²	70	56.8 Å²	56.8	46%	0.455	31%	0.307	S	S	.	.	H	α-helix	trans	-52.4	-41.7	-171.6	-27.3	32.9	0	0	0	114.8	V336 M340 Q358 I359 K360	V336-P356 HydrophobicContact CG1-CB 3.77Å; V336-P356 WeakPolarHBondContact CG1-O 3.42Å; M340-P356 HydrophobicContact CE-CB 4.1Å; M340-P356 HydrophobicContact CE-CG 3.72Å; P356-Q358 PolarHBondContact O-N 3.08Å; P356-Q358 VanDerWaalsContact O-N 3.15Å; P356-I359 PolarHBondContact O-N 2.95Å; P356-I359 VanDerWaalsContact O-N 3.14Å; P356-K360 PolarHBondContact O-N 3.23Å; P356-K360 VanDerWaalsContact O-N 3.14Å
357	F	88.4	Confident	79.5	Confident	113 Å²	113	51.8 Å²	51.8	50%	0.496	29%	0.286	S	S	.	.	H	α-helix	trans	-60.2	-26.7	-179.9	80.3	-94.3	0	0	0	113.6	K355 I359 K360 N361	K355-F357 VanDerWaalsContact C-N 3.3Å; K355-F357 HydrophobicContact CB-CD1 3.8Å; K355-F357 HydrophobicContact CB-CE1 3.67Å; K355-F357 HydrophobicContact CD-CE1 4.2Å; K355-F357 HydrophobicContact CG-CE1 4.47Å; K355-F357 PolarHBondContact O-N 3.3Å; K355-F357 VanDerWaalsContact O-N 3.13Å; F357-I359 VanDerWaalsContact C-N 3.32Å; F357-I359 PolarHBondContact O-N 3.19Å; F357-K360 PolarHBondContact O-N 2.83Å; F357-N361 WeakPolarHBondContact O-CB 3.49Å; F357-N361 PolarHBondContact O-N 2.93Å; F357-N361 PolarHBondContact O-OD1 3.5Å
358	Q	87.5	Confident	80.8	Confident	30 Å²	30	51.5 Å²	51.5	14%	0.14	28%	0.283	C	S	.	.	H	α-helix	trans	-69.5	-33.6	-179.4	-61.7	169.3	-15.6	0	0	111.1	K355 P356 H362 W417	K355-Q358 HydrophobicContact CB-CG 4.5Å; K355-Q358 VanDerWaalsContact O-CB 3.31Å; K355-Q358 WeakPolarHBondContact O-CB 3.27Å; K355-Q358 PolarHBondContact O-N 2.92Å; P356-Q358 PolarHBondContact O-N 3.08Å; P356-Q358 VanDerWaalsContact O-N 3.15Å; Q358-H362 PolarHBondContact O-CD2 2.9Å; Q358-H362 VanDerWaalsContact O-CD2 3.3Å; Q358-W417 HydrophobicContact CB-CH2 4.29Å; Q358-W417 HydrophobicContact CB-CZ3 4.18Å; Q358-W417 HydrophobicContact CG-CH2 3.86Å; Q358-W417 HydrophobicContact CG-CZ3 4.16Å
359	I	90.2	Very high	82.8	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-76.5	-44.4	173.1	-59.4	174.2	0	0	0	109.8	V336 L339 M340 V343 I354 P356 F357 N361 H362 V414	V336-I359 HydrophobicContact CG1-CB 4.3Å; V336-I359 HydrophobicContact CG2-CG2 4.32Å; L339-I359 HydrophobicContact CB-CG2 4.1Å; L339-I359 HydrophobicContact CD1-CG2 4.22Å; M340-I359 HydrophobicContact CB-CD1 3.69Å; M340-I359 HydrophobicContact CE-CD1 4.31Å; M340-I359 HydrophobicContact CG-CD1 4.14Å; V343-I359 HydrophobicContact CG2-CD1 4.46Å; I354-I359 HydrophobicContact CG2-CD1 4.29Å; I354-I359 HydrophobicContact CG2-CG1 4.21Å; P356-I359 PolarHBondContact O-N 2.95Å; P356-I359 VanDerWaalsContact O-N 3.14Å; F357-I359 VanDerWaalsContact C-N 3.32Å; F357-I359 PolarHBondContact O-N 3.19Å; I359-N361 PolarHBondContact O-N 2.67Å; I359-H362 PolarHBondContact O-N 3.11Å; I359-V414 HydrophobicContact CG1-CG1 4.44Å; I359-V414 HydrophobicContact CG1-CG2 4.48Å
360	K	91.8	Very high	84.7	Confident	33 Å²	33	43 Å²	43	14%	0.143	23%	0.234	C	C	.	.	H	α-helix	trans	-54.1	-39	177	-161.6	161.7	177.9	165	0	111.7	F310 N329 S332 D333 V336 P356 F357 H362 M363	F310-K360 HydrophobicContact CB-CG 4.47Å; F310-K360 WeakPolarHBondContact CB-O 3.38Å; F310-K360 HydrophobicContact CD1-CG 4.48Å; F310-K360 HydrophobicContact CD2-CG 3.78Å; F310-K360 VanDerWaalsContact CD2-O 3.25Å; F310-K360 WeakPolarHBondContact CD2-O 2.98Å; F310-K360 HydrophobicContact CE2-CG 4.09Å; F310-K360 HydrophobicContact CG-CG 3.99Å; N329-K360 PolarHBondContact OD1-NZ 3.25Å; S332-K360 WeakPolarHBondContact OG-CE 3.19Å; S332-K360 PolarHBondContact OG-NZ 2.83Å; D333-K360 IonicContact OD1-NZ 2.71Å; D333-K360 PolarHBondContact OD1-NZ 2.83Å; V336-K360 HydrophobicContact CG2-CB 3.88Å; V336-K360 HydrophobicContact CG2-CG 4.29Å; P356-K360 PolarHBondContact O-N 3.23Å; P356-K360 VanDerWaalsContact O-N 3.14Å; F357-K360 PolarHBondContact O-N 2.83Å; K360-H362 PolarHBondContact O-N 3.11Å; K360-H362 VanDerWaalsContact O-N 3.15Å; K360-M363 WeakPolarHBondContact O-CB 3.39Å; K360-M363 PolarHBondContact O-N 2.86Å; K360-M363 VanDerWaalsContact O-N 3.12Å
361	N	90.7	Very high	86.6	Confident	71 Å²	71	41.4 Å²	41.4	38%	0.38	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-10.6	178.3	-77.8	-5.7	0	0	0	116	G309 F310 F357 I359	G309-N361 CarbonylContact C-O 3.53Å; G309-N361 VanDerWaalsContact CA-O 3.23Å; G309-N361 WeakPolarHBondContact CA-O 2.8Å; F310-N361 PolarHBondContact N-O 2.72Å; F357-N361 WeakPolarHBondContact O-CB 3.49Å; F357-N361 PolarHBondContact O-N 2.93Å; F357-N361 PolarHBondContact O-OD1 3.5Å; I359-N361 PolarHBondContact O-N 2.67Å
362	H	90	Very high	88.4	Confident	31 Å²	31	39 Å²	39	14%	0.144	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	9.2	174.4	-72.6	-67.8	0	0	0	113.4	S306 Q358 I359 K360 I410 V414 W417	S306-H362 PolarHBondContact N-O 2.91Å; Q358-H362 PolarHBondContact O-CD2 2.9Å; Q358-H362 VanDerWaalsContact O-CD2 3.3Å; I359-H362 PolarHBondContact O-N 3.11Å; K360-H362 PolarHBondContact O-N 3.11Å; K360-H362 VanDerWaalsContact O-N 3.15Å; H362-I410 HydrophobicContact CB-CG2 4.31Å; H362-V414 HydrophobicContact CB-CG2 4.14Å; H362-W417 AromaticContact NE2-CG 3.98Å
363	M	92.6	Very high	89.6	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.5	-179.1	-64.8	167.6	53.1	0	0	111.7	V303 F310 Q311 I335 V336 K360 I410	V303-M363 HydrophobicContact CG2-CB 4.35Å; V303-M363 HydrophobicContact CG2-CE 4.13Å; V303-M363 HydrophobicContact CG2-CG 4.42Å; F310-M363 HydrophobicContact CD2-CB 4.32Å; F310-M363 WeakPolarHBondContact CD2-O 3.33Å; Q311-M363 PolarHBondContact N-O 2.91Å; Q311-M363 VanDerWaalsContact N-O 3.14Å; I335-M363 HydrophobicContact CB-CE 3.82Å; I335-M363 HydrophobicContact CD1-CE 3.89Å; I335-M363 HydrophobicContact CG1-CE 4.47Å; I335-M363 HydrophobicContact CG2-CE 3.67Å; I335-M363 HydrophobicContact CG2-SD 4.11Å; V336-M363 HydrophobicContact CG2-SD 3.67Å; K360-M363 WeakPolarHBondContact O-CB 3.39Å; K360-M363 PolarHBondContact O-N 2.86Å; K360-M363 VanDerWaalsContact O-N 3.12Å; M363-I410 HydrophobicContact CG-CD1 4.24Å; M363-I410 HydrophobicContact CG-CG2 4.34Å
364	W	92.9	Very high	90.6	Very high	21 Å²	21	30 Å²	30	8%	0.08	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.6	159.2	-164	-10.9	0	0	0	108.2	W64 F277 I278 V303 A304 Q311 F366	W64-W364 HydrophobicContact CD2-CZ2 4.47Å; W64-W364 AromaticContact CE2-CH2 3.99Å; W64-W364 AromaticContact CE2-CZ2 3.67Å; W64-W364 AromaticContact CH2-CH2 3.36Å; W64-W364 HydrophobicContact CH2-CH2 3.36Å; W64-W364 AromaticContact CH2-CZ2 3.95Å; W64-W364 HydrophobicContact CH2-CZ2 3.95Å; W64-W364 HydrophobicContact CH2-CZ3 4.27Å; W64-W364 AromaticContact CZ2-CH2 3.27Å; W64-W364 HydrophobicContact CZ2-CH2 3.27Å; W64-W364 AromaticContact CZ2-CZ2 3.37Å; W64-W364 HydrophobicContact CZ2-CZ2 3.37Å; W64-W364 HydrophobicContact CZ2-CZ3 4.28Å; W64-W364 HydrophobicContact CZ3-CH2 4.14Å; F277-W364 HydrophobicContact CB-CH2 3.75Å; F277-W364 HydrophobicContact CB-CZ2 3.89Å; F277-W364 HydrophobicContact CD1-CH2 4.18Å; F277-W364 AromaticContact CD1-CZ2 3.74Å; F277-W364 HydrophobicContact CD1-CZ2 3.74Å; F277-W364 HydrophobicContact CG-CH2 4.44Å; F277-W364 HydrophobicContact CG-CZ2 4.19Å; F277-W364 WeakPolarHBondContact O-CH2 3.47Å; I278-W364 HydrophobicContact CG1-CZ3 4.35Å; V303-W364 WeakPolarHBondContact CA-O 3.28Å; A304-W364 HydrophobicContact CB-CB 4.5Å; A304-W364 PolarHBondContact N-O 2.87Å; A304-W364 PolarHBondContact O-N 3.33Å; Q311-W364 HydrophobicContact CB-CB 4.24Å; Q311-W364 VanDerWaalsContact CB-CD1 3.45Å; Q311-W364 HydrophobicContact CB-CD2 4.15Å; Q311-W364 HydrophobicContact CB-CG 3.69Å; Q311-W364 CarbonylContact O-C 3.5Å; Q311-W364 WeakPolarHBondContact O-CA 3.31Å; W364-F366 HydrophobicContact CB-CE2 4.33Å; W364-F366 AromaticContact CD1-CE2 3.46Å; W364-F366 VanDerWaalsContact CD1-CE2 3.46Å; W364-F366 AromaticContact CD1-CZ 3.72Å; W364-F366 AromaticContact CD2-CE2 3.88Å; W364-F366 HydrophobicContact CD2-CE2 3.88Å; W364-F366 AromaticContact CD2-CZ 3.85Å; W364-F366 HydrophobicContact CD2-CZ 3.85Å; W364-F366 AromaticContact CE2-CE2 3.89Å; W364-F366 AromaticContact CE2-CZ 3.42Å; W364-F366 VanDerWaalsContact CE2-CZ 3.42Å; W364-F366 AromaticContact CG-CE2 3.65Å; W364-F366 HydrophobicContact CG-CE2 3.65Å; W364-F366 HydrophobicContact CG-CZ 4.05Å; W364-F366 AromaticContact CZ2-CZ 3.85Å; W364-F366 HydrophobicContact CZ2-CZ 3.85Å; W364-F366 AromaticContact NE1-CE1 4Å; W364-F366 AromaticContact NE1-CE2 3.62Å; W364-F366 AromaticContact NE1-CZ 3.33Å; W364-F366 VanDerWaalsContact NE1-CZ 3.33Å
365	L	94.5	Very high	91.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.3	-171.8	-171.6	67.1	0	0	0	111.8	V301 V303 F310 Q311 Q312 V313 I328 V331 I335 V367	V301-L365 HydrophobicContact CG1-CD1 4.03Å; V303-L365 HydrophobicContact CB-CD1 4.26Å; V303-L365 HydrophobicContact CG2-CD1 4.4Å; F310-L365 HydrophobicContact CE2-CB 4.09Å; F310-L365 HydrophobicContact CZ-CB 4.42Å; F310-L365 HydrophobicContact CZ-CD2 4.44Å; Q311-L365 PolarHBondContact O-N 2.99Å; Q312-L365 CarbonylContact C-O 3.58Å; Q312-L365 VanDerWaalsContact CA-O 3.24Å; Q312-L365 WeakPolarHBondContact CA-O 2.99Å; V313-L365 PolarHBondContact N-O 3.15Å; I328-L365 HydrophobicContact CD1-CD2 4.22Å; V331-L365 HydrophobicContact CB-CD2 4.28Å; V331-L365 HydrophobicContact CG1-CD1 4Å; V331-L365 HydrophobicContact CG1-CD2 4.07Å; I335-L365 HydrophobicContact CD1-CD1 3.89Å; L365-V367 HydrophobicContact CD2-CG2 4.22Å; L365-V367 HydrophobicContact CG-CG2 3.98Å
366	F	95	Very high	91.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.7	177.7	-62	-103.3	0	0	0	109	F270 V274 F277 I278 V301 A302 V313 W364	F270-F366 HydrophobicContact CE1-CB 4.06Å; F270-F366 HydrophobicContact CZ-CB 3.88Å; V274-F366 HydrophobicContact CB-CD1 4.47Å; V274-F366 HydrophobicContact CG1-CD1 4.33Å; V274-F366 HydrophobicContact CG1-CD2 4.11Å; V274-F366 HydrophobicContact CG1-CE1 4.44Å; V274-F366 HydrophobicContact CG1-CE2 4.25Å; V274-F366 HydrophobicContact CG1-CG 4.17Å; V274-F366 HydrophobicContact CG1-CZ 4.4Å; V274-F366 HydrophobicContact CG2-CB 3.83Å; V274-F366 HydrophobicContact CG2-CD1 3.72Å; V274-F366 HydrophobicContact CG2-CE1 4.41Å; V274-F366 HydrophobicContact CG2-CG 3.79Å; F277-F366 HydrophobicContact CB-CE1 4.06Å; F277-F366 HydrophobicContact CB-CZ 3.85Å; F277-F366 HydrophobicContact CD1-CE1 4.29Å; F277-F366 AromaticContact CD2-CE1 3.78Å; F277-F366 HydrophobicContact CD2-CE1 3.78Å; F277-F366 HydrophobicContact CD2-CZ 4.43Å; F277-F366 HydrophobicContact CE2-CE1 4.3Å; F277-F366 AromaticContact CG-CE1 3.78Å; F277-F366 HydrophobicContact CG-CE1 3.78Å; F277-F366 HydrophobicContact CG-CZ 4.06Å; I278-F366 HydrophobicContact CD1-CE2 3.76Å; I278-F366 HydrophobicContact CD1-CZ 4Å; I278-F366 HydrophobicContact CG1-CZ 4.37Å; V301-F366 CarbonylContact C-O 3.59Å; V301-F366 WeakPolarHBondContact CA-O 3.31Å; A302-F366 HydrophobicContact CB-CB 4.18Å; A302-F366 PolarHBondContact N-O 3.44Å; A302-F366 PolarHBondContact O-N 3.11Å; V313-F366 HydrophobicContact CB-CD1 3.69Å; V313-F366 HydrophobicContact CB-CE1 3.94Å; V313-F366 HydrophobicContact CG1-CD1 4.28Å; V313-F366 HydrophobicContact CG2-CD1 4.13Å; V313-F366 HydrophobicContact CG2-CE1 3.85Å; V313-F366 WeakPolarHBondContact O-CA 3.04Å; W364-F366 HydrophobicContact CB-CE2 4.33Å; W364-F366 AromaticContact CD1-CE2 3.46Å; W364-F366 VanDerWaalsContact CD1-CE2 3.46Å; W364-F366 AromaticContact CD1-CZ 3.72Å; W364-F366 AromaticContact CD2-CE2 3.88Å; W364-F366 HydrophobicContact CD2-CE2 3.88Å; W364-F366 AromaticContact CD2-CZ 3.85Å; W364-F366 HydrophobicContact CD2-CZ 3.85Å; W364-F366 AromaticContact CE2-CE2 3.89Å; W364-F366 AromaticContact CE2-CZ 3.42Å; W364-F366 VanDerWaalsContact CE2-CZ 3.42Å; W364-F366 AromaticContact CG-CE2 3.65Å; W364-F366 HydrophobicContact CG-CE2 3.65Å; W364-F366 HydrophobicContact CG-CZ 4.05Å; W364-F366 AromaticContact CZ2-CZ 3.85Å; W364-F366 HydrophobicContact CZ2-CZ 3.85Å; W364-F366 AromaticContact NE1-CE1 4Å; W364-F366 AromaticContact NE1-CE2 3.62Å; W364-F366 AromaticContact NE1-CZ 3.33Å; W364-F366 VanDerWaalsContact NE1-CZ 3.33Å
367	V	95.5	Very high	91.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	119.7	-176.7	-176.8	0	0	0	0	110.9	W299 Q300 V313 S314 F315 I328 V331 L365 C369	W299-V367 HydrophobicContact CE3-CG1 4.04Å; W299-V367 HydrophobicContact CZ3-CG1 3.93Å; Q300-V367 WeakPolarHBondContact O-CA 3.44Å; V313-V367 PolarHBondContact O-N 2.7Å; V313-V367 VanDerWaalsContact O-N 3.09Å; S314-V367 CarbonylContact C-O 3.57Å; S314-V367 WeakPolarHBondContact CA-O 3.48Å; S314-V367 WeakPolarHBondContact CB-O 3.35Å; F315-V367 PolarHBondContact N-O 3.47Å; I328-V367 HydrophobicContact CD1-CB 4.18Å; I328-V367 HydrophobicContact CD1-CG2 3.79Å; V331-V367 HydrophobicContact CB-CG2 4.41Å; V331-V367 HydrophobicContact CG1-CG2 4.28Å; V331-V367 HydrophobicContact CG2-CG2 4.4Å; L365-V367 HydrophobicContact CD2-CG2 4.22Å; L365-V367 HydrophobicContact CG-CG2 3.98Å; V367-C369 HydrophobicContact CG1-CB 4.3Å
368	N	94.8	Very high	91	Very high	9 Å²	9	25 Å²	25	5%	0.048	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.9	166.6	178.2	35.9	0	0	0	108.4	F270 Q300	F270-N368 HydrophobicContact CD1-CB 4.16Å; F270-N368 HydrophobicContact CD2-CB 3.81Å; F270-N368 HydrophobicContact CE1-CB 4.06Å; F270-N368 HydrophobicContact CE2-CB 3.73Å; F270-N368 HydrophobicContact CG-CB 4.04Å; F270-N368 HydrophobicContact CZ-CB 3.84Å; Q300-N368 HydrophobicContact CB-CB 4.27Å; Q300-N368 PolarHBondContact N-O 2.9Å; Q300-N368 PolarHBondContact O-N 3.18Å; Q300-N368 PolarHBondContact OE1-ND2 3.29Å
369	C	94.4	Very high	90.5	Very high	1 Å²	1	25 Å²	25	1%	0.007	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150	-175.9	59.8	0	0	0	0	114.5	R298 W299 F315 V316 N317 V367 I371	R298-C369 CarbonylContact O-C 3.59Å; R298-C369 WeakPolarHBondContact O-CA 3.1Å; W299-C369 HydrophobicContact CD2-CB 3.76Å; W299-C369 HydrophobicContact CE3-CB 3.61Å; W299-C369 HydrophobicContact CG-CB 4.44Å; W299-C369 HydrophobicContact CH2-CB 4.08Å; W299-C369 HydrophobicContact CZ2-CB 4.21Å; W299-C369 HydrophobicContact CZ3-CB 3.79Å; F315-C369 PolarHBondContact O-N 2.92Å; F315-C369 PolarHBondContact O-SG 2.98Å; F315-C369 VanDerWaalsContact O-SG 3.34Å; V316-C369 WeakPolarHBondContact CA-O 3.36Å; N317-C369 PolarHBondContact N-O 3.2Å; V367-C369 HydrophobicContact CG1-CB 4.3Å; C369-I371 HydrophobicContact CB-CD1 4.41Å
370	L	93.3	Very high	89.7	Confident	53 Å²	53	26.3 Å²	26.3	28%	0.277	14%	0.14	S	C	.	.			trans	-108.5	117.1	174.1	-61	178.9	0	0	0	109.5	V161 R298 N317	V161-L370 HydrophobicContact CB-CB 4.41Å; V161-L370 HydrophobicContact CG1-CB 4.42Å; R298-L370 HydrophobicContact CB-CB 4.06Å; R298-L370 HydrophobicContact CG-CB 3.98Å; R298-L370 PolarHBondContact O-N 3.36Å; N317-L370 WeakPolarHBondContact OD1-CA 3.25Å
371	I	93.2	Very high	89.4	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.			trans	-118.7	134.9	-171.9	-58	-63	0	0	0	108.8	W299 V316 N317 C369 P374 M384 L386 F391	W299-I371 HydrophobicContact CH2-CD1 4.06Å; W299-I371 HydrophobicContact CZ2-CD1 3.57Å; V316-I371 HydrophobicContact CG1-CB 4Å; V316-I371 HydrophobicContact CG1-CG1 3.85Å; N317-I371 PolarHBondContact ND2-O 3.47Å; N317-I371 PolarHBondContact OD1-N 3.14Å; N317-I371 PolarHBondContact OD1-O 2.68Å; C369-I371 HydrophobicContact CB-CD1 4.41Å; I371-P374 HydrophobicContact CB-CB 4.35Å; I371-P374 HydrophobicContact CG2-CB 4.01Å; I371-M384 HydrophobicContact CB-SD 4.44Å; I371-M384 HydrophobicContact CG1-CE 4.5Å; I371-M384 HydrophobicContact CG1-SD 4.04Å; I371-M384 HydrophobicContact CG2-SD 4.11Å; I371-L386 HydrophobicContact CG2-CD2 3.63Å; I371-F391 HydrophobicContact CD1-CB 3.98Å; I371-F391 HydrophobicContact CD1-CD1 4.27Å; I371-F391 HydrophobicContact CD1-CD2 4.31Å; I371-F391 HydrophobicContact CD1-CG 3.96Å; I371-F391 HydrophobicContact CG2-CD1 4.38Å
372	E	91.9	Very high	89.2	Confident	22 Å²	22	23.9 Å²	23.9	10%	0.103	13%	0.127	C	C	.	.	S	Bend	trans	-73.2	127.7	174.8	-70.8	176	-172.2	0	0	110.9	R159 V161 R298 F391	R159-E372 HydrophobicContact CB-CB 4.46Å; R159-E372 HydrophobicContact CB-CG 4.07Å; R159-E372 VanDerWaalsContact CD-OE2 3.32Å; R159-E372 WeakPolarHBondContact CD-OE2 3.14Å; R159-E372 IonicContact CZ-OE2 3.82Å; R159-E372 IonicContact NE-OE2 3.19Å; R159-E372 IonicContact NH1-OE2 2.76Å; R159-E372 PolarHBondContact NH1-OE2 2.97Å; V161-E372 HydrophobicContact CG1-CG 4.22Å; R298-E372 IonicContact CZ-OE1 2.81Å; R298-E372 VanDerWaalsContact CZ-OE1 3.22Å; R298-E372 IonicContact NH1-OE1 2.67Å; R298-E372 PolarHBondContact NH1-OE1 3.24Å; R298-E372 IonicContact NH2-OE1 3.14Å; R298-E372 PolarHBondContact NH2-OE1 2.69Å; E372-F391 PolarHBondContact N-O 3.18Å
373	N	87.6	Confident	89.3	Confident	25 Å²	25	24.4 Å²	24.4	13%	0.134	13%	0.131	C	C	.	.	S	Bend	trans	42.4	56.7	174.7	-63.4	-7.8	0	0	0	113.9	D156 E158 K160	D156-N373 PolarHBondContact O-ND2 2.86Å; E158-N373 PolarHBondContact O-ND2 3.1Å; K160-N373 PolarHBondContact N-OD1 3.39Å; K160-N373 PolarHBondContact O-N 3.24Å; K160-N373 PolarHBondContact O-OD1 2.62Å
374	P	89.6	Confident	89.3	Confident	4 Å²	4	24.5 Å²	24.5	3%	0.026	13%	0.131	C	C	.	.			trans	-63.5	145.9	-170.6	27.4	-36.5	0	0	0	113.2	V316 I371 F376 M384	V316-P374 HydrophobicContact CG1-CB 3.99Å; V316-P374 HydrophobicContact CG1-CG 4.27Å; I371-P374 HydrophobicContact CB-CB 4.35Å; I371-P374 HydrophobicContact CG2-CB 4.01Å; P374-F376 HydrophobicContact CB-CE2 3.86Å; P374-F376 HydrophobicContact CB-CZ 3.92Å; P374-F376 HydrophobicContact CG-CE2 3.92Å; P374-F376 HydrophobicContact CG-CZ 4.11Å; P374-M384 HydrophobicContact CB-SD 4.29Å
375	T	89.5	Confident	89.4	Confident	60 Å²	60	26.2 Å²	26.2	37%	0.368	14%	0.144	S	C	.	.			trans	-111.8	145.6	172.3	62.5	0	0	0	0	110.9	M384 T385 L386	T375-M384 VanDerWaalsContact O-CG 3.23Å; T375-M384 WeakPolarHBondContact O-CG 3.42Å; T375-T385 VanDerWaalsContact C-OG1 3.23Å; T375-T385 PolarHBondContact O-N 2.81Å; T375-T385 PolarHBondContact O-OG1 2.86Å; T375-T385 PolarHBondContact OG1-OG1 3.28Å; T375-T385 VanDerWaalsContact OG1-OG1 3.04Å; T375-L386 HydrophobicContact CG2-CD1 4.37Å; T375-L386 WeakPolarHBondContact OG1-CA 3.24Å; T375-L386 PolarHBondContact OG1-N 2.83Å
376	F	88.5	Confident	89.3	Confident	34 Å²	34	27.3 Å²	27.3	15%	0.149	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-132.6	162.4	-178.1	-55.7	-89.2	0	0	0	109.5	V316 I319 T321 P374 S378 K381 N383 M384 T385	V316-F376 HydrophobicContact CB-CZ 4.48Å; V316-F376 HydrophobicContact CG1-CE1 4.49Å; V316-F376 HydrophobicContact CG1-CZ 4.12Å; I319-F376 HydrophobicContact CD1-CE2 4Å; I319-F376 HydrophobicContact CD1-CZ 3.65Å; T321-F376 HydrophobicContact CG2-CD1 4.42Å; T321-F376 HydrophobicContact CG2-CE1 3.85Å; P374-F376 HydrophobicContact CB-CE2 3.86Å; P374-F376 HydrophobicContact CB-CZ 3.92Å; P374-F376 HydrophobicContact CG-CE2 3.92Å; P374-F376 HydrophobicContact CG-CZ 4.11Å; F376-S378 VanDerWaalsContact C-N 3.25Å; F376-S378 PolarHBondContact O-N 2.82Å; F376-K381 HydrophobicContact CB-CB 4.4Å; F376-K381 HydrophobicContact CD1-CB 3.84Å; F376-K381 WeakPolarHBondContact CD1-O 3.34Å; F376-K381 HydrophobicContact CD2-CB 3.95Å; F376-K381 HydrophobicContact CD2-CD 4.49Å; F376-K381 HydrophobicContact CD2-CG 3.96Å; F376-K381 HydrophobicContact CE1-CB 4.04Å; F376-K381 WeakPolarHBondContact CE1-O 3.27Å; F376-K381 HydrophobicContact CE2-CB 4.14Å; F376-K381 HydrophobicContact CE2-CD 4.35Å; F376-K381 HydrophobicContact CE2-CG 4.26Å; F376-K381 HydrophobicContact CG-CB 3.8Å; F376-K381 HydrophobicContact CG-CG 4.21Å; F376-K381 HydrophobicContact CZ-CB 4.19Å; F376-N383 VanDerWaalsContact CA-O 3.24Å; F376-N383 WeakPolarHBondContact CA-O 3.45Å; F376-N383 WeakPolarHBondContact CB-O 3.12Å; F376-N383 WeakPolarHBondContact CD1-O 3.34Å; F376-M384 HydrophobicContact CD1-CB 4.2Å; F376-M384 HydrophobicContact CD1-CG 4.35Å; F376-M384 HydrophobicContact CE1-CB 4.18Å; F376-M384 HydrophobicContact CE1-CG 4.17Å; F376-T385 PolarHBondContact N-OG1 2.95Å
377	D	85.6	Confident	89.2	Confident	84 Å²	84	33.1 Å²	33.1	45%	0.449	18%	0.177	S	C	.	.	S	Bend	trans	-70.5	-19.6	177.3	64.5	2.1	0	0	0	114.2	N383 T385	D377-N383 PolarHBondContact N-O 3.5Å; D377-N383 VanDerWaalsContact OD2-CB 3.29Å; D377-N383 WeakPolarHBondContact OD2-CB 3.46Å; D377-N383 PolarHBondContact OD2-ND2 2.98Å; D377-T385 HydrophobicContact CB-CG2 4.05Å
378	S	82.4	Confident	89	Confident	48 Å²	48	36.7 Å²	36.7	34%	0.336	20%	0.195	S	C	.	.	S	Bend	trans	-160.3	163.8	-166.9	60.2	0	0	0	0	112.4	F376 T380 K381	F376-S378 VanDerWaalsContact C-N 3.25Å; F376-S378 PolarHBondContact O-N 2.82Å; S378-T380 PolarHBondContact O-N 3.02Å; S378-T380 PolarHBondContact OG-OG1 2.97Å; S378-T380 VanDerWaalsContact OG-OG1 3.05Å; S378-K381 PolarHBondContact O-N 2.99Å; S378-K381 VanDerWaalsContact O-N 3.1Å
379	Q	75.9	Confident	88.8	Confident	28 Å²	28	45.4 Å²	45.4	13%	0.131	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.9	179.6	-179.3	55.4	55.7	0	0	113.6	Y52 N166 K381	Y52-Q379 VanDerWaalsContact O-CG 3.27Å; Y52-Q379 WeakPolarHBondContact O-CG 3.4Å; N166-Q379 PolarHBondContact ND2-OE1 2.99Å; Q379-K381 VanDerWaalsContact C-N 3.27Å
380	T	74.7	Confident	88.6	Confident	28 Å²	28	48 Å²	48	17%	0.172	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-27.7	170.6	63.3	0	0	0	0	111.8	K86 S378 E382	K86-T380 WeakPolarHBondContact CE-O 3.25Å; K86-T380 PolarHBondContact NZ-O 3.1Å; S378-T380 PolarHBondContact O-N 3.02Å; S378-T380 PolarHBondContact OG-OG1 2.97Å; S378-T380 VanDerWaalsContact OG-OG1 3.05Å; T380-E382 WeakPolarHBondContact OG1-CG 3.41Å; T380-E382 PolarHBondContact OG1-OE2 3.11Å
381	K	85.3	Confident	88.6	Confident	5 Å²	5	45.5 Å²	45.5	2%	0.022	24%	0.238	C	C	.	.			trans	67.5	27.8	179.7	-47.5	172.4	-160	157.8	0	114.5	E90 G163 I319 F376 S378 Q379	E90-K381 VanDerWaalsContact CD-NZ 3.25Å; E90-K381 WeakPolarHBondContact OE1-CE 3.27Å; E90-K381 IonicContact OE1-NZ 3.63Å; E90-K381 PolarHBondContact OE1-NZ 2.73Å; E90-K381 IonicContact OE2-NZ 2.78Å; E90-K381 PolarHBondContact OE2-NZ 3.04Å; G163-K381 PolarHBondContact O-NZ 3.06Å; I319-K381 HydrophobicContact CD1-CB 4.34Å; I319-K381 HydrophobicContact CD1-CD 3.61Å; I319-K381 HydrophobicContact CG1-CD 4.34Å; I319-K381 HydrophobicContact CG2-CB 3.74Å; F376-K381 HydrophobicContact CB-CB 4.4Å; F376-K381 HydrophobicContact CD1-CB 3.84Å; F376-K381 WeakPolarHBondContact CD1-O 3.34Å; F376-K381 HydrophobicContact CD2-CB 3.95Å; F376-K381 HydrophobicContact CD2-CD 4.49Å; F376-K381 HydrophobicContact CD2-CG 3.96Å; F376-K381 HydrophobicContact CE1-CB 4.04Å; F376-K381 WeakPolarHBondContact CE1-O 3.27Å; F376-K381 HydrophobicContact CE2-CB 4.14Å; F376-K381 HydrophobicContact CE2-CD 4.35Å; F376-K381 HydrophobicContact CE2-CG 4.26Å; F376-K381 HydrophobicContact CG-CB 3.8Å; F376-K381 HydrophobicContact CG-CG 4.21Å; F376-K381 HydrophobicContact CZ-CB 4.19Å; S378-K381 PolarHBondContact O-N 2.99Å; S378-K381 VanDerWaalsContact O-N 3.1Å; Q379-K381 VanDerWaalsContact C-N 3.27Å
382	E	86.4	Confident	88.4	Confident	48 Å²	48	47.2 Å²	47.2	22%	0.224	26%	0.255	C	S	.	.			trans	-77.9	-21.8	-175	-66.6	171.1	125.6	0	0	114.5	T321 T322 K323 T380	T321-E382 CarbonylContact C-O 3.09Å; T321-E382 WeakPolarHBondContact CA-O 3.29Å; T321-E382 WeakPolarHBondContact CB-O 3.39Å; T322-E382 PolarHBondContact N-O 3.12Å; T322-E382 WeakPolarHBondContact OG1-CB 3.21Å; T322-E382 WeakPolarHBondContact OG1-CG 3.23Å; K323-E382 HydrophobicContact CB-CB 4.33Å; K323-E382 HydrophobicContact CD-CB 3.93Å; K323-E382 WeakPolarHBondContact CE-OE2 3.45Å; K323-E382 HydrophobicContact CG-CB 4.22Å; K323-E382 PolarHBondContact N-O 3.28Å; K323-E382 IonicContact NZ-OE1 3.24Å; K323-E382 IonicContact NZ-OE2 3.54Å; K323-E382 PolarHBondContact NZ-OE2 2.91Å; T380-E382 WeakPolarHBondContact OG1-CG 3.41Å; T380-E382 PolarHBondContact OG1-OE2 3.11Å
383	N	91.1	Very high	88.3	Confident	43 Å²	43	47.4 Å²	47.4	23%	0.23	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	119.4	-173.1	173.6	28.7	0	0	0	110.4	K323 G324 G325 F376 D377	K323-N383 HydrophobicContact CB-CB 3.93Å; G324-N383 VanDerWaalsContact O-CA 3.31Å; G324-N383 WeakPolarHBondContact O-CA 3.3Å; G325-N383 WeakPolarHBondContact CA-OD1 3.41Å; F376-N383 VanDerWaalsContact CA-O 3.24Å; F376-N383 WeakPolarHBondContact CA-O 3.45Å; F376-N383 WeakPolarHBondContact CB-O 3.12Å; F376-N383 WeakPolarHBondContact CD1-O 3.34Å; D377-N383 PolarHBondContact N-O 3.5Å; D377-N383 VanDerWaalsContact OD2-CB 3.29Å; D377-N383 WeakPolarHBondContact OD2-CB 3.46Å; D377-N383 PolarHBondContact OD2-ND2 2.98Å
384	M	93.8	Very high	88.5	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	128.2	-177.1	-161.4	-172.1	73.2	0	0	112.5	V316 G324 G325 T326 H327 I371 P374 T375 F376 L386 F391	V316-M384 HydrophobicContact CB-SD 4.44Å; V316-M384 HydrophobicContact CG1-SD 3.77Å; V316-M384 HydrophobicContact CG2-SD 3.82Å; G324-M384 PolarHBondContact O-N 3.19Å; G325-M384 VanDerWaalsContact CA-O 3.25Å; G325-M384 WeakPolarHBondContact CA-O 3.49Å; T326-M384 PolarHBondContact N-O 3.27Å; T326-M384 VanDerWaalsContact OG1-CE 3.26Å; T326-M384 WeakPolarHBondContact OG1-CE 3.39Å; T326-M384 PolarHBondContact OG1-O 3.46Å; H327-M384 HydrophobicContact CB-CE 3.73Å; I371-M384 HydrophobicContact CB-SD 4.44Å; I371-M384 HydrophobicContact CG1-CE 4.5Å; I371-M384 HydrophobicContact CG1-SD 4.04Å; I371-M384 HydrophobicContact CG2-SD 4.11Å; P374-M384 HydrophobicContact CB-SD 4.29Å; T375-M384 VanDerWaalsContact O-CG 3.23Å; T375-M384 WeakPolarHBondContact O-CG 3.42Å; F376-M384 HydrophobicContact CD1-CB 4.2Å; F376-M384 HydrophobicContact CD1-CG 4.35Å; F376-M384 HydrophobicContact CE1-CB 4.18Å; F376-M384 HydrophobicContact CE1-CG 4.17Å; M384-L386 HydrophobicContact CE-CB 4.39Å; M384-F391 HydrophobicContact CE-CD1 4.14Å; M384-F391 HydrophobicContact CE-CE1 3.35Å; M384-F391 HydrophobicContact CE-CZ 3.69Å
385	T	93.9	Very high	88.6	Confident	57 Å²	57	50.5 Å²	50.5	35%	0.35	28%	0.279	S	S	.	.			trans	-106.8	-7.3	-173.1	53.7	0	0	0	0	114.6	T375 F376 D377	T375-T385 VanDerWaalsContact C-OG1 3.23Å; T375-T385 PolarHBondContact O-N 2.81Å; T375-T385 PolarHBondContact O-OG1 2.86Å; T375-T385 PolarHBondContact OG1-OG1 3.28Å; T375-T385 VanDerWaalsContact OG1-OG1 3.04Å; F376-T385 PolarHBondContact N-OG1 2.95Å; D377-T385 HydrophobicContact CB-CG2 4.05Å
386	L	93.3	Very high	88.7	Confident	24 Å²	24	52.4 Å²	52.4	13%	0.126	29%	0.291	C	S	.	.			trans	-61.9	143	-173.8	-172.1	62.7	0	0	0	111.8	T326 I371 T375 M384 F391	T326-L386 VanDerWaalsContact CB-O 3.26Å; T326-L386 WeakPolarHBondContact CB-O 3.19Å; T326-L386 WeakPolarHBondContact CG2-O 3.33Å; T326-L386 PolarHBondContact OG1-O 2.79Å; I371-L386 HydrophobicContact CG2-CD2 3.63Å; T375-L386 HydrophobicContact CG2-CD1 4.37Å; T375-L386 WeakPolarHBondContact OG1-CA 3.24Å; T375-L386 PolarHBondContact OG1-N 2.83Å; M384-L386 HydrophobicContact CE-CB 4.39Å; L386-F391 HydrophobicContact CB-CD1 4.48Å; L386-F391 HydrophobicContact CB-CE1 4.27Å; L386-F391 HydrophobicContact CD2-CD1 4.13Å; L386-F391 HydrophobicContact CG-CD1 4.25Å; L386-F391 HydrophobicContact CG-CE1 4.48Å; L386-F391 WeakPolarHBondContact O-CE1 3.43Å
387	Q	92.1	Very high	88.8	Confident	122 Å²	122	51.6 Å²	51.6	57%	0.57	29%	0.288	S	S	*	.			trans	-73.8	142.1	178.4	-70.1	-65.8	-23.6	0	0	111.6	K389 S390 F391	Q387-K389 VanDerWaalsContact C-N 3.26Å; Q387-K389 HydrophobicContact CB-CG 4.27Å; Q387-K389 PolarHBondContact O-N 3.04Å; Q387-K389 VanDerWaalsContact O-N 3.17Å; Q387-S390 WeakPolarHBondContact O-CA 3.23Å; Q387-S390 WeakPolarHBondContact O-CB 3.43Å; Q387-S390 PolarHBondContact O-N 3.27Å; Q387-F391 WeakPolarHBondContact O-CD1 3.45Å
388	I	91.2	Very high	89.1	Confident	74 Å²	74	49.4 Å²	49.4	38%	0.379	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-55.1	-40.8	-173	-58.8	169.3	0	0	0	112	Y330 S390 F391	Y330-I388 HydrophobicContact CD1-CG2 4.15Å; Y330-I388 HydrophobicContact CD2-CD1 3.99Å; Y330-I388 HydrophobicContact CD2-CG2 3.82Å; Y330-I388 HydrophobicContact CE1-CG2 4.2Å; Y330-I388 HydrophobicContact CE2-CG2 3.92Å; Y330-I388 HydrophobicContact CG-CD1 4.13Å; Y330-I388 HydrophobicContact CG-CG1 4.35Å; Y330-I388 HydrophobicContact CG-CG2 3.95Å; I388-S390 PolarHBondContact O-N 3.34Å; I388-F391 HydrophobicContact CB-CD2 4.48Å; I388-F391 HydrophobicContact CB-CE2 4.1Å; I388-F391 HydrophobicContact CB-CZ 4.26Å; I388-F391 HydrophobicContact CG1-CE2 3.98Å; I388-F391 HydrophobicContact CG1-CZ 3.9Å; I388-F391 HydrophobicContact CG2-CD2 4.12Å; I388-F391 HydrophobicContact CG2-CE2 3.97Å; I388-F391 WeakPolarHBondContact O-CG 3.28Å; I388-F391 PolarHBondContact O-N 2.8Å
389	K	91.3	Very high	89.3	Confident	193 Å²	193	54.6 Å²	54.6	84%	0.839	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-59.8	-14.4	176.2	67	179.3	-178.4	178.7	0	115	Q387	Q387-K389 VanDerWaalsContact C-N 3.26Å; Q387-K389 HydrophobicContact CB-CG 4.27Å; Q387-K389 PolarHBondContact O-N 3.04Å; Q387-K389 VanDerWaalsContact O-N 3.17Å
390	S	91.3	Very high	90	Very high	56 Å²	56	60.5 Å²	60.5	39%	0.392	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-109.2	2.8	-176.1	-60.2	0	0	0	0	113.5	Q387 I388 G392	Q387-S390 WeakPolarHBondContact O-CA 3.23Å; Q387-S390 WeakPolarHBondContact O-CB 3.43Å; Q387-S390 PolarHBondContact O-N 3.27Å; I388-S390 PolarHBondContact O-N 3.34Å; S390-G392 PolarHBondContact O-N 2.9Å
391	F	92.3	Very high	90.8	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	-64.3	-10.4	-179.6	-69.2	-9.3	0	0	0	115	W299 H327 Y330 I371 E372 M384 L386 Q387 I388 S393	W299-F391 HydrophobicContact CH2-CD2 4.02Å; W299-F391 HydrophobicContact CH2-CE2 4.02Å; W299-F391 AromaticContact CZ2-CD2 3.71Å; W299-F391 HydrophobicContact CZ2-CD2 3.71Å; W299-F391 HydrophobicContact CZ2-CE2 4.19Å; W299-F391 HydrophobicContact CZ2-CG 4.46Å; H327-F391 HydrophobicContact CB-CZ 4.39Å; Y330-F391 HydrophobicContact CD1-CD2 4.16Å; Y330-F391 AromaticContact CD1-CE2 3.74Å; Y330-F391 HydrophobicContact CD1-CE2 3.74Å; Y330-F391 HydrophobicContact CE1-CD2 4.41Å; Y330-F391 HydrophobicContact CE1-CE2 4.41Å; Y330-F391 HydrophobicContact CG-CE2 4.27Å; I371-F391 HydrophobicContact CD1-CB 3.98Å; I371-F391 HydrophobicContact CD1-CD1 4.27Å; I371-F391 HydrophobicContact CD1-CD2 4.31Å; I371-F391 HydrophobicContact CD1-CG 3.96Å; I371-F391 HydrophobicContact CG2-CD1 4.38Å; E372-F391 PolarHBondContact N-O 3.18Å; M384-F391 HydrophobicContact CE-CD1 4.14Å; M384-F391 HydrophobicContact CE-CE1 3.35Å; M384-F391 HydrophobicContact CE-CZ 3.69Å; L386-F391 HydrophobicContact CB-CD1 4.48Å; L386-F391 HydrophobicContact CB-CE1 4.27Å; L386-F391 HydrophobicContact CD2-CD1 4.13Å; L386-F391 HydrophobicContact CG-CD1 4.25Å; L386-F391 HydrophobicContact CG-CE1 4.48Å; L386-F391 WeakPolarHBondContact O-CE1 3.43Å; Q387-F391 WeakPolarHBondContact O-CD1 3.45Å; I388-F391 HydrophobicContact CB-CD2 4.48Å; I388-F391 HydrophobicContact CB-CE2 4.1Å; I388-F391 HydrophobicContact CB-CZ 4.26Å; I388-F391 HydrophobicContact CG1-CE2 3.98Å; I388-F391 HydrophobicContact CG1-CZ 3.9Å; I388-F391 HydrophobicContact CG2-CD2 4.12Å; I388-F391 HydrophobicContact CG2-CE2 3.97Å; I388-F391 WeakPolarHBondContact O-CG 3.28Å; I388-F391 PolarHBondContact O-N 2.8Å; F391-S393 PolarHBondContact O-N 3.04Å; F391-S393 VanDerWaalsContact O-N 3.11Å
392	G	88.7	Confident	91.1	Very high	35 Å²	35	60 Å²	60	36%	0.361	32%	0.32	S	S	.	.	S	Bend	trans	67.9	1.8	-172.4	0	0	0	0	0	114.2	R298 S390	R298-G392 PolarHBondContact NH1-O 2.96Å; S390-G392 PolarHBondContact O-N 2.9Å
393	S	91.1	Very high	91.2	Very high	26 Å²	26	59 Å²	59	18%	0.182	32%	0.323	C	S	.	.	S	Bend	trans	-161.3	155.3	-180	55	0	0	0	0	111.2	W299 F391	W299-S393 PolarHBondContact NE1-OG 2.94Å; F391-S393 PolarHBondContact O-N 3.04Å; F391-S393 VanDerWaalsContact O-N 3.11Å
394	T	90.7	Very high	91.1	Very high	94 Å²	94	61.3 Å²	61.3	58%	0.577	33%	0.332	S	S	*	.			trans	-102.5	158.5	174.3	51	0	0	0	0	111.2	N296	N296-T394 PolarHBondContact ND2-O 2.91Å
395	C	91.4	Very high	90.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.332	C	S	.	.			trans	-131.2	95.1	174	-168.5	0	0	0	0	108.6	W299 Y330 Q334	W299-C395 HydrophobicContact CB-CB 4.38Å; W299-C395 HydrophobicContact CD2-CB 3.54Å; W299-C395 HydrophobicContact CE3-CB 3.72Å; W299-C395 HydrophobicContact CG-CB 3.82Å; W299-C395 HydrophobicContact CZ2-CB 4.44Å; W299-C395 HydrophobicContact CZ3-CB 4.25Å; Y330-C395 HydrophobicContact CD1-CB 4.27Å; Y330-C395 HydrophobicContact CE1-CB 3.56Å; Y330-C395 PolarHBondContact OH-N 2.94Å; Y330-C395 PolarHBondContact OH-O 2.94Å; Q334-C395 PolarHBondContact NE2-O 3.2Å; Q334-C395 PolarHBondContact OE1-O 3.47Å
396	T	91	Very high	90.5	Very high	100 Å²	100	59.3 Å²	59.3	61%	0.613	32%	0.32	S	S	*	.			trans	-107.7	108.7	178.7	-52.5	0	0	0	0	108.7	V295	V295-T396 WeakPolarHBondContact CG1-O 3.49Å
397	L	91.1	Very high	90.2	Very high	17 Å²	17	65.6 Å²	65.6	9%	0.089	35%	0.347	C	S	.	.			trans	-72.4	142	-179.4	-64.4	166.8	0	0	0	111.2	E293 V295 V301 V331 I335 F401	E293-L397 WeakPolarHBondContact OE2-CA 3.21Å; V295-L397 HydrophobicContact CG2-CD2 3.77Å; V301-L397 HydrophobicContact CB-CD2 4.15Å; V301-L397 HydrophobicContact CG1-CD2 4.19Å; V301-L397 HydrophobicContact CG2-CD2 4.26Å; V331-L397 HydrophobicContact CG1-CD1 4.34Å; I335-L397 HydrophobicContact CD1-CD1 3.83Å; I335-L397 HydrophobicContact CG1-CD1 3.4Å; I335-L397 VanDerWaalsContact CG1-CD1 3.4Å; L397-F401 HydrophobicContact CB-CD1 4.12Å; L397-F401 HydrophobicContact CD1-CD1 4.06Å; L397-F401 HydrophobicContact CD1-CE1 3.86Å; L397-F401 HydrophobicContact CD2-CD1 3.93Å; L397-F401 HydrophobicContact CD2-CE1 3.96Å; L397-F401 HydrophobicContact CD2-CG 4.27Å; L397-F401 HydrophobicContact CD2-CZ 4.28Å; L397-F401 HydrophobicContact CG-CD1 4.27Å; L397-F401 HydrophobicContact CG-CE1 4.41Å
398	S	91.3	Very high	89.8	Confident	39 Å²	39	60.3 Å²	60.3	27%	0.273	32%	0.323	S	S	.	.			trans	-75.6	155.7	-178.4	75.6	0	0	0	0	113.1	E293 K400 F401 I402	E293-S398 WeakPolarHBondContact OE1-CB 3.31Å; E293-S398 PolarHBondContact OE1-OG 2.6Å; E293-S398 PolarHBondContact OE2-N 2.9Å; S398-K400 PolarHBondContact O-N 2.93Å; S398-K400 PolarHBondContact OG-N 3.2Å; S398-F401 WeakPolarHBondContact O-CB 3.44Å; S398-F401 PolarHBondContact O-N 2.69Å; S398-F401 PolarHBondContact OG-N 2.77Å; S398-I402 PolarHBondContact O-N 3.43Å
399	E	88.4	Confident	89.5	Confident	156 Å²	156	57.7 Å²	57.7	73%	0.729	31%	0.314	S	S	*	.	H	α-helix	trans	-62	-24.8	171.8	-59.1	-152.9	134.7	0	0	112.4	G403	E399-G403 PolarHBondContact O-N 3.06Å
400	K	89.9	Confident	89.4	Confident	153 Å²	153	48.5 Å²	48.5	67%	0.665	27%	0.274	S	S	*	.	H	α-helix	trans	-66.4	-45.2	171.8	-178.4	-176.1	176.6	-174.8	0	111.3	S398 G403 Q404	S398-K400 PolarHBondContact O-N 2.93Å; S398-K400 PolarHBondContact OG-N 3.2Å; K400-G403 PolarHBondContact O-N 2.97Å; K400-Q404 WeakPolarHBondContact O-CB 3.5Å; K400-Q404 WeakPolarHBondContact O-CG 3.37Å; K400-Q404 PolarHBondContact O-N 3.48Å
401	F	92	Very high	89.1	Confident	1 Å²	1	45.9 Å²	45.9	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-47.8	174.6	-179.6	-88.4	0	0	0	111.1	V291 E293 V301 V303 I335 L397 S398 G403 Q404 A405	V291-F401 HydrophobicContact CB-CE2 4.39Å; V291-F401 HydrophobicContact CG1-CD2 3.63Å; V291-F401 HydrophobicContact CG1-CE2 3.82Å; V291-F401 HydrophobicContact CG1-CG 4.19Å; V291-F401 HydrophobicContact CG1-CZ 4.49Å; E293-F401 HydrophobicContact CB-CB 4.45Å; E293-F401 HydrophobicContact CB-CD2 3.54Å; E293-F401 HydrophobicContact CB-CE2 4.12Å; E293-F401 HydrophobicContact CB-CG 4.28Å; E293-F401 WeakPolarHBondContact OE2-CB 3.41Å; V301-F401 HydrophobicContact CG1-CE2 4.42Å; V301-F401 HydrophobicContact CG1-CZ 3.91Å; V303-F401 HydrophobicContact CB-CZ 4.13Å; V303-F401 HydrophobicContact CG1-CE1 3.99Å; V303-F401 HydrophobicContact CG1-CE2 4.33Å; V303-F401 HydrophobicContact CG1-CZ 3.56Å; I335-F401 HydrophobicContact CD1-CE1 3.87Å; I335-F401 HydrophobicContact CD1-CZ 4.4Å; I335-F401 HydrophobicContact CG1-CE1 4.12Å; L397-F401 HydrophobicContact CB-CD1 4.12Å; L397-F401 HydrophobicContact CD1-CD1 4.06Å; L397-F401 HydrophobicContact CD1-CE1 3.86Å; L397-F401 HydrophobicContact CD2-CD1 3.93Å; L397-F401 HydrophobicContact CD2-CE1 3.96Å; L397-F401 HydrophobicContact CD2-CG 4.27Å; L397-F401 HydrophobicContact CD2-CZ 4.28Å; L397-F401 HydrophobicContact CG-CD1 4.27Å; L397-F401 HydrophobicContact CG-CE1 4.41Å; S398-F401 WeakPolarHBondContact O-CB 3.44Å; S398-F401 PolarHBondContact O-N 2.69Å; S398-F401 PolarHBondContact OG-N 2.77Å; F401-G403 PolarHBondContact O-N 2.97Å; F401-Q404 PolarHBondContact O-N 2.83Å; F401-A405 WeakPolarHBondContact O-CB 3.4Å; F401-A405 PolarHBondContact O-N 3.48Å
402	I	90.9	Very high	88.7	Confident	20 Å²	20	49.6 Å²	49.6	10%	0.103	27%	0.273	C	S	.	.	H	α-helix	trans	-60.3	-43.8	175.6	-62.7	-59.4	0	0	0	111.6	I335 K338 S398 Q404 A405 S406	I335-I402 HydrophobicContact CG1-CD1 4.41Å; K338-I402 HydrophobicContact CB-CD1 4.07Å; K338-I402 HydrophobicContact CB-CG1 4.35Å; K338-I402 HydrophobicContact CB-CG2 3.81Å; K338-I402 HydrophobicContact CG-CD1 4.36Å; K338-I402 HydrophobicContact CG-CG1 4.4Å; K338-I402 HydrophobicContact CG-CG2 4.48Å; S398-I402 PolarHBondContact O-N 3.43Å; I402-Q404 VanDerWaalsContact C-N 3.35Å; I402-Q404 PolarHBondContact O-N 3.08Å; I402-A405 PolarHBondContact O-N 2.83Å; I402-S406 WeakPolarHBondContact O-CB 3.09Å; I402-S406 PolarHBondContact O-N 3.23Å
403	G	87.8	Confident	88.5	Confident	28 Å²	28	50.7 Å²	50.7	29%	0.289	27%	0.271	S	S	.	.	H	α-helix	trans	-63.3	-37.5	177.3	0	0	0	0	0	113	E399 K400 F401 S406	E399-G403 PolarHBondContact O-N 3.06Å; K400-G403 PolarHBondContact O-N 2.97Å; F401-G403 PolarHBondContact O-N 2.97Å; G403-S406 PolarHBondContact O-OG 3.32Å
404	Q	89.9	Confident	88.2	Confident	92 Å²	92	49.5 Å²	49.5	43%	0.43	26%	0.263	S	S	.	.	H	α-helix	trans	-71.2	-43.4	172.7	-74.1	-180	-42.3	0	0	111.9	V291 K400 F401 I402 S406 K407 S408	V291-Q404 HydrophobicContact CB-CB 4.4Å; V291-Q404 HydrophobicContact CG1-CB 3.53Å; V291-Q404 HydrophobicContact CG2-CB 3.92Å; K400-Q404 WeakPolarHBondContact O-CB 3.5Å; K400-Q404 WeakPolarHBondContact O-CG 3.37Å; K400-Q404 PolarHBondContact O-N 3.48Å; F401-Q404 PolarHBondContact O-N 2.83Å; I402-Q404 VanDerWaalsContact C-N 3.35Å; I402-Q404 PolarHBondContact O-N 3.08Å; Q404-S406 VanDerWaalsContact C-N 3.25Å; Q404-S406 PolarHBondContact O-N 3.48Å; Q404-K407 CarbonylContact O-C 3.54Å; Q404-K407 WeakPolarHBondContact O-CA 3.47Å; Q404-K407 PolarHBondContact O-N 3.27Å; Q404-S408 PolarHBondContact O-N 2.97Å
405	A	89.1	Confident	87.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.5	-38.1	175.3	0	0	0	0	0	111.6	V303 F401 I402 K407 S408	V303-A405 HydrophobicContact CG1-CB 4.1Å; F401-A405 WeakPolarHBondContact O-CB 3.4Å; F401-A405 PolarHBondContact O-N 3.48Å; I402-A405 PolarHBondContact O-N 2.83Å; A405-K407 PolarHBondContact O-N 3.17Å; A405-K407 VanDerWaalsContact O-N 3.14Å; A405-S408 WeakPolarHBondContact O-CB 3.12Å; A405-S408 PolarHBondContact O-N 3.28Å; A405-S408 PolarHBondContact O-OG 2.96Å
406	S	86.4	Confident	87.2	Confident	15 Å²	15	49.6 Å²	49.6	11%	0.105	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-12.3	174.8	83.1	0	0	0	0	115.2	I402 G403 Q404	I402-S406 WeakPolarHBondContact O-CB 3.09Å; I402-S406 PolarHBondContact O-N 3.23Å; G403-S406 PolarHBondContact O-OG 3.32Å; Q404-S406 VanDerWaalsContact C-N 3.25Å; Q404-S406 PolarHBondContact O-N 3.48Å
407	K	86.4	Confident	86.7	Confident	157 Å²	157	48.6 Å²	48.6	68%	0.683	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	11.8	-180	-62.6	178.3	-178.2	-177.8	0	112.8	Q404 A405	Q404-K407 CarbonylContact O-C 3.54Å; Q404-K407 WeakPolarHBondContact O-CA 3.47Å; Q404-K407 PolarHBondContact O-N 3.27Å; A405-K407 PolarHBondContact O-N 3.17Å; A405-K407 VanDerWaalsContact O-N 3.14Å
408	S	84	Confident	85.9	Confident	10 Å²	10	47.9 Å²	47.9	7%	0.07	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-13.9	-178.7	65	0	0	0	0	114.1	V305 Q404 A405 I410	V305-S408 WeakPolarHBondContact CG2-O 3.3Å; Q404-S408 PolarHBondContact O-N 2.97Å; A405-S408 WeakPolarHBondContact O-CB 3.12Å; A405-S408 PolarHBondContact O-N 3.28Å; A405-S408 PolarHBondContact O-OG 2.96Å; S408-I410 WeakPolarHBondContact OG-CD1 3.4Å; S408-I410 VanDerWaalsContact OG-CG1 3.31Å; S408-I410 WeakPolarHBondContact OG-CG1 3.25Å
409	G	85	Confident	84.9	Confident	19 Å²	19	54.4 Å²	54.4	20%	0.196	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	108.4	-14.7	-171.2	0	0	0	0	0	114	V411 E412 N413	G409-V411 PolarHBondContact O-N 3.28Å; G409-E412 PolarHBondContact O-N 3.42Å; G409-N413 WeakPolarHBondContact O-CB 3.41Å; G409-N413 PolarHBondContact O-N 3.47Å
410	I	87.9	Confident	84.1	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-46.5	-180	-62.9	165.1	0	0	0	111	V303 V305 L339 H362 M363 S408 V414	V303-I410 HydrophobicContact CG2-CD1 4.02Å; V305-I410 HydrophobicContact CG2-CG1 3.86Å; L339-I410 HydrophobicContact CD1-CG2 3.99Å; H362-I410 HydrophobicContact CB-CG2 4.31Å; M363-I410 HydrophobicContact CG-CD1 4.24Å; M363-I410 HydrophobicContact CG-CG2 4.34Å; S408-I410 WeakPolarHBondContact OG-CD1 3.4Å; S408-I410 VanDerWaalsContact OG-CG1 3.31Å; S408-I410 WeakPolarHBondContact OG-CG1 3.25Å; I410-V414 WeakPolarHBondContact O-CB 3.49Å; I410-V414 VanDerWaalsContact O-CG2 3.25Å; I410-V414 WeakPolarHBondContact O-CG2 3.36Å; I410-V414 PolarHBondContact O-N 3.3Å
411	V	86.1	Confident	83.3	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-68.3	-38.5	-177.9	172.2	0	0	0	0	111.1	L339 I342 V343 K346 G409 V414 L415	L339-V411 HydrophobicContact CD2-CG2 3.98Å; I342-V411 HydrophobicContact CG2-CG1 4.47Å; V343-V411 HydrophobicContact CG2-CG1 4.16Å; V343-V411 HydrophobicContact CG2-CG2 4.34Å; K346-V411 HydrophobicContact CD-CG1 3.63Å; G409-V411 PolarHBondContact O-N 3.28Å; V411-V414 PolarHBondContact O-N 2.95Å; V411-L415 HydrophobicContact CG1-CD1 3.94Å; V411-L415 WeakPolarHBondContact O-CB 3.49Å; V411-L415 VanDerWaalsContact O-CG 3.26Å; V411-L415 WeakPolarHBondContact O-CG 3.23Å; V411-L415 PolarHBondContact O-N 3.17Å
412	E	84.3	Confident	82.1	Confident	78 Å²	78	49.4 Å²	49.4	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-67.7	-42.7	179.3	-69.4	57.7	-128.3	0	0	111	K346 G409 L415 S416	K346-E412 IonicContact NZ-OE1 2.79Å; K346-E412 PolarHBondContact NZ-OE1 3.01Å; G409-E412 PolarHBondContact O-N 3.42Å; E412-L415 PolarHBondContact O-N 3.32Å; E412-S416 WeakPolarHBondContact O-CB 3.37Å; E412-S416 PolarHBondContact O-N 3.46Å
413	N	84.1	Confident	81	Confident	57 Å²	57	52 Å²	52	31%	0.305	26%	0.256	S	S	.	.	H	α-helix	trans	-65.6	-41.8	173.9	-80.1	3.9	0	0	0	112.2	V305 G409 L415 S416 W417	V305-N413 VanDerWaalsContact CG1-ND2 3.34Å; V305-N413 WeakPolarHBondContact CG1-ND2 3.43Å; G409-N413 WeakPolarHBondContact O-CB 3.41Å; G409-N413 PolarHBondContact O-N 3.47Å; N413-L415 PolarHBondContact O-N 2.93Å; N413-S416 WeakPolarHBondContact O-CB 3.23Å; N413-S416 PolarHBondContact O-N 2.94Å; N413-W417 WeakPolarHBondContact O-CB 3.4Å; N413-W417 PolarHBondContact O-N 2.72Å
414	V	85.2	Confident	80.2	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.012	25%	0.251	C	S	.	.	H	α-helix	trans	-59.8	-44.5	173.4	167.8	0	0	0	0	111.1	V343 I359 H362 I410 V411 W417 I418	V343-V414 HydrophobicContact CG1-CG1 3.77Å; V343-V414 HydrophobicContact CG2-CG1 4.04Å; I359-V414 HydrophobicContact CG1-CG1 4.44Å; I359-V414 HydrophobicContact CG1-CG2 4.48Å; H362-V414 HydrophobicContact CB-CG2 4.14Å; I410-V414 WeakPolarHBondContact O-CB 3.49Å; I410-V414 VanDerWaalsContact O-CG2 3.25Å; I410-V414 WeakPolarHBondContact O-CG2 3.36Å; I410-V414 PolarHBondContact O-N 3.3Å; V411-V414 PolarHBondContact O-N 2.95Å; V414-W417 PolarHBondContact O-N 2.71Å; V414-I418 HydrophobicContact CG1-CD1 3.74Å; V414-I418 HydrophobicContact CG1-CG1 4.46Å; V414-I418 WeakPolarHBondContact O-CD1 3.28Å; V414-I418 VanDerWaalsContact O-CG1 3.24Å; V414-I418 WeakPolarHBondContact O-CG1 3.49Å; V414-I418 PolarHBondContact O-N 2.83Å
415	L	80.3	Confident	79.2	Confident	23 Å²	23	54.1 Å²	54.1	12%	0.12	26%	0.257	C	S	.	.	H	α-helix	trans	-66.7	-37.1	177.5	-71.7	165.6	0	0	0	112.5	V343 K346 V411 E412 N413 I418 R419	V343-L415 HydrophobicContact CG1-CD2 4.16Å; K346-L415 HydrophobicContact CB-CD1 3.81Å; K346-L415 HydrophobicContact CB-CD2 4.21Å; K346-L415 HydrophobicContact CD-CD1 3.65Å; K346-L415 HydrophobicContact CG-CD1 4.39Å; V411-L415 HydrophobicContact CG1-CD1 3.94Å; V411-L415 WeakPolarHBondContact O-CB 3.49Å; V411-L415 VanDerWaalsContact O-CG 3.26Å; V411-L415 WeakPolarHBondContact O-CG 3.23Å; V411-L415 PolarHBondContact O-N 3.17Å; E412-L415 PolarHBondContact O-N 3.32Å; N413-L415 PolarHBondContact O-N 2.93Å; L415-I418 HydrophobicContact CD2-CD1 4.39Å; L415-I418 PolarHBondContact O-N 2.63Å; L415-R419 WeakPolarHBondContact O-CG 3.46Å; L415-R419 PolarHBondContact O-N 2.87Å
416	S	80	Confident	78.1	Confident	73 Å²	73	54.9 Å²	54.9	51%	0.51	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-45.5	172.3	-168.8	0	0	0	0	111.4	E412 N413 I418 R419 F420	E412-S416 WeakPolarHBondContact O-CB 3.37Å; E412-S416 PolarHBondContact O-N 3.46Å; N413-S416 WeakPolarHBondContact O-CB 3.23Å; N413-S416 PolarHBondContact O-N 2.94Å; S416-I418 PolarHBondContact O-N 2.91Å; S416-R419 PolarHBondContact O-N 3.06Å; S416-F420 WeakPolarHBondContact O-CB 3.47Å; S416-F420 PolarHBondContact O-N 3.29Å
417	W	80.6	Confident	77.2	Confident	78 Å²	78	54.8 Å²	54.8	30%	0.295	26%	0.259	S	S	.	.	H	α-helix	trans	-63.4	-40.4	175.6	-178.6	91.1	0	0	0	112.7	Q358 H362 N413 V414 F420 K421	Q358-W417 HydrophobicContact CB-CH2 4.29Å; Q358-W417 HydrophobicContact CB-CZ3 4.18Å; Q358-W417 HydrophobicContact CG-CH2 3.86Å; Q358-W417 HydrophobicContact CG-CZ3 4.16Å; H362-W417 AromaticContact NE2-CG 3.98Å; N413-W417 WeakPolarHBondContact O-CB 3.4Å; N413-W417 PolarHBondContact O-N 2.72Å; V414-W417 PolarHBondContact O-N 2.71Å; W417-F420 PolarHBondContact O-N 3.04Å; W417-K421 HydrophobicContact CD2-CG 3.99Å; W417-K421 HydrophobicContact CE3-CG 4.24Å; W417-K421 HydrophobicContact CH2-CG 4.03Å; W417-K421 HydrophobicContact CZ2-CD 4.16Å; W417-K421 HydrophobicContact CZ2-CG 3.78Å; W417-K421 HydrophobicContact CZ3-CG 4.26Å; W417-K421 WeakPolarHBondContact O-CB 3.27Å; W417-K421 WeakPolarHBondContact O-CG 3.44Å; W417-K421 PolarHBondContact O-N 3.17Å
418	I	75.2	Confident	76.4	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.015	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-46.9	174.3	-70.5	159.6	0	0	0	110.7	V343 V352 I354 V414 L415 S416 K421 A422	V343-I418 HydrophobicContact CG1-CD1 3.79Å; V352-I418 HydrophobicContact CB-CG2 4.21Å; V352-I418 HydrophobicContact CG2-CG2 4.46Å; I354-I418 HydrophobicContact CD1-CD1 3.52Å; I354-I418 HydrophobicContact CG1-CD1 3.85Å; I354-I418 HydrophobicContact CG1-CG1 4.34Å; V414-I418 HydrophobicContact CG1-CD1 3.74Å; V414-I418 HydrophobicContact CG1-CG1 4.46Å; V414-I418 WeakPolarHBondContact O-CD1 3.28Å; V414-I418 VanDerWaalsContact O-CG1 3.24Å; V414-I418 WeakPolarHBondContact O-CG1 3.49Å; V414-I418 PolarHBondContact O-N 2.83Å; L415-I418 HydrophobicContact CD2-CD1 4.39Å; L415-I418 PolarHBondContact O-N 2.63Å; S416-I418 PolarHBondContact O-N 2.91Å; I418-K421 PolarHBondContact O-N 3.09Å; I418-A422 PolarHBondContact O-N 3.22Å
419	R	69.7	Low	75.4	Confident	176 Å²	176	56.6 Å²	56.6	66%	0.664	27%	0.266	S	S	*	.	H	α-helix	trans	-60.1	-47.3	175.8	-72.3	170	179.2	171.9	-1.1	111.2	L415 S416 K421 A422 M423	L415-R419 WeakPolarHBondContact O-CG 3.46Å; L415-R419 PolarHBondContact O-N 2.87Å; S416-R419 PolarHBondContact O-N 3.06Å; R419-K421 VanDerWaalsContact C-N 3.31Å; R419-K421 PolarHBondContact O-N 2.87Å; R419-A422 PolarHBondContact O-N 2.98Å; R419-M423 WeakPolarHBondContact O-CG 3.44Å; R419-M423 PolarHBondContact O-N 3.43Å
420	F	72.4	Confident	74.4	Confident	115 Å²	115	56.1 Å²	56.1	50%	0.504	26%	0.26	S	S	.	.	H	α-helix	trans	-59.2	-40.6	175.9	-175.7	-91.8	0	0	0	112.1	S416 W417 M423 E424	S416-F420 WeakPolarHBondContact O-CB 3.47Å; S416-F420 PolarHBondContact O-N 3.29Å; W417-F420 PolarHBondContact O-N 3.04Å; F420-M423 PolarHBondContact O-N 2.9Å; F420-E424 VanDerWaalsContact O-CB 3.31Å; F420-E424 WeakPolarHBondContact O-CB 3.38Å; F420-E424 PolarHBondContact O-N 2.69Å
421	K	72.5	Confident	73.3	Confident	76 Å²	76	59.9 Å²	59.9	33%	0.33	28%	0.278	S	S	.	.	H	α-helix	trans	-70.1	-35.5	176.6	-76.4	-71.4	170	-164.8	0	113.6	W417 I418 R419 E424 K425	W417-K421 HydrophobicContact CD2-CG 3.99Å; W417-K421 HydrophobicContact CE3-CG 4.24Å; W417-K421 HydrophobicContact CH2-CG 4.03Å; W417-K421 HydrophobicContact CZ2-CD 4.16Å; W417-K421 HydrophobicContact CZ2-CG 3.78Å; W417-K421 HydrophobicContact CZ3-CG 4.26Å; W417-K421 WeakPolarHBondContact O-CB 3.27Å; W417-K421 WeakPolarHBondContact O-CG 3.44Å; W417-K421 PolarHBondContact O-N 3.17Å; I418-K421 PolarHBondContact O-N 3.09Å; R419-K421 VanDerWaalsContact C-N 3.31Å; R419-K421 PolarHBondContact O-N 2.87Å; K421-E424 WeakPolarHBondContact CD-OE2 3.13Å; K421-E424 WeakPolarHBondContact CE-OE2 3.5Å; K421-E424 IonicContact NZ-OE2 2.74Å; K421-E424 PolarHBondContact NZ-OE2 3.1Å; K421-E424 PolarHBondContact O-N 2.68Å; K421-K425 PolarHBondContact O-N 3.08Å
422	A	66.5	Low	72.1	Confident	13 Å²	13	67.5 Å²	67.5	11%	0.107	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-48.9	171.3	0	0	0	0	0	110.7	V352 I418 R419 E424 K425 M426	V352-A422 HydrophobicContact CG2-CB 4.16Å; I418-A422 PolarHBondContact O-N 3.22Å; R419-A422 PolarHBondContact O-N 2.98Å; A422-E424 VanDerWaalsContact C-N 3.34Å; A422-E424 PolarHBondContact O-N 3.03Å; A422-K425 WeakPolarHBondContact O-CB 3.45Å; A422-K425 PolarHBondContact O-N 3.18Å; A422-M426 PolarHBondContact O-N 3.45Å
423	M	67.9	Low	71.1	Confident	75 Å²	75	66.8 Å²	66.8	37%	0.369	31%	0.314	S	S	.	.	H	α-helix	trans	-59.7	-41.4	173.6	-66.2	178	80	0	0	111.9	R419 F420 K425 M426 D427 Y521	R419-M423 WeakPolarHBondContact O-CG 3.44Å; R419-M423 PolarHBondContact O-N 3.43Å; F420-M423 PolarHBondContact O-N 2.9Å; M423-K425 PolarHBondContact O-N 2.87Å; M423-M426 HydrophobicContact CG-CE 4.4Å; M423-M426 PolarHBondContact O-N 3.08Å; M423-D427 WeakPolarHBondContact O-CB 3.18Å; M423-D427 PolarHBondContact O-N 3.18Å; M423-Y521 WeakPolarHBondContact CE-O 3.42Å
424	E	70.3	Confident	70.5	Confident	39 Å²	39	67.2 Å²	67.2	18%	0.182	31%	0.314	C	S	.	.	H	α-helix	trans	-65.4	-24.2	175.3	-160.1	-149	125.6	0	0	113.2	F420 K421 A422 K428	F420-E424 VanDerWaalsContact O-CB 3.31Å; F420-E424 WeakPolarHBondContact O-CB 3.38Å; F420-E424 PolarHBondContact O-N 2.69Å; K421-E424 WeakPolarHBondContact CD-OE2 3.13Å; K421-E424 WeakPolarHBondContact CE-OE2 3.5Å; K421-E424 IonicContact NZ-OE2 2.74Å; K421-E424 PolarHBondContact NZ-OE2 3.1Å; K421-E424 PolarHBondContact O-N 2.68Å; A422-E424 VanDerWaalsContact C-N 3.34Å; A422-E424 PolarHBondContact O-N 3.03Å; E424-K428 VanDerWaalsContact O-CD 3.3Å; E424-K428 WeakPolarHBondContact O-CD 3.41Å; E424-K428 WeakPolarHBondContact O-CE 3.36Å; E424-K428 VanDerWaalsContact O-CG 3.26Å; E424-K428 WeakPolarHBondContact O-CG 3.48Å; E424-K428 WeakPolarHBondContact OE1-CE 3.43Å; E424-K428 IonicContact OE1-NZ 2.81Å; E424-K428 PolarHBondContact OE1-NZ 2.92Å
425	K	69.6	Low	70	Confident	126 Å²	126	70.7 Å²	70.7	55%	0.548	33%	0.33	S	S	.	.	H	α-helix	trans	-78.4	-46	173.5	-170.5	-177.8	175.1	-174	0	111.3	K421 A422 M423 K428 M505	K421-K425 PolarHBondContact O-N 3.08Å; A422-K425 WeakPolarHBondContact O-CB 3.45Å; A422-K425 PolarHBondContact O-N 3.18Å; M423-K425 PolarHBondContact O-N 2.87Å; K425-K428 WeakPolarHBondContact O-CB 3.46Å; K425-K428 PolarHBondContact O-N 3.48Å; K425-M505 HydrophobicContact CD-CE 4.25Å; K425-M505 HydrophobicContact CD-SD 3.96Å; K425-M505 HydrophobicContact CG-SD 4.07Å
426	M	64.9	Low	69.7	Low	16 Å²	16	72.5 Å²	72.5	8%	0.079	34%	0.344	C	S	.	.	H	α-helix	trans	-65.7	-42.2	177.2	-60.2	-173.7	-60.3	0	0	111.5	A422 M423 K428 Q429 C430 N501 M505 Y521	A422-M426 PolarHBondContact O-N 3.45Å; M423-M426 HydrophobicContact CG-CE 4.4Å; M423-M426 PolarHBondContact O-N 3.08Å; M426-K428 PolarHBondContact O-N 3.2Å; M426-K428 VanDerWaalsContact O-N 3.08Å; M426-Q429 WeakPolarHBondContact O-CB 3.45Å; M426-Q429 PolarHBondContact O-N 2.82Å; M426-C430 PolarHBondContact O-N 2.79Å; M426-N501 HydrophobicContact SD-CB 4.45Å; M426-M505 HydrophobicContact CG-CG 3.95Å; M426-M505 HydrophobicContact CG-SD 4Å; M426-Y521 HydrophobicContact CB-CD2 3.61Å; M426-Y521 HydrophobicContact CB-CE2 3.85Å; M426-Y521 HydrophobicContact CB-CG 4.18Å; M426-Y521 HydrophobicContact CE-CD1 4.23Å; M426-Y521 HydrophobicContact CE-CE1 4.49Å; M426-Y521 HydrophobicContact CE-CG 4.37Å
427	D	68.9	Low	69.7	Low	13 Å²	13	77 Å²	77	7%	0.07	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-11.5	176.1	-172.6	79	0	0	0	114.1	M423 K522	M423-D427 WeakPolarHBondContact O-CB 3.18Å; M423-D427 PolarHBondContact O-N 3.18Å; D427-K522 HydrophobicContact CB-CD 4.19Å; D427-K522 HydrophobicContact CB-CG 4.29Å; D427-K522 WeakPolarHBondContact OD2-CD 3.42Å; D427-K522 VanDerWaalsContact OD2-CE 3.25Å; D427-K522 WeakPolarHBondContact OD2-CE 3.24Å; D427-K522 IonicContact OD2-NZ 2.72Å; D427-K522 PolarHBondContact OD2-NZ 3.14Å
428	K	69.1	Low	69.8	Low	133 Å²	133	74.9 Å²	74.9	58%	0.578	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-15.4	169.3	-74.8	165.6	-169.7	171	0	113.8	E424 K425 M426	E424-K428 VanDerWaalsContact O-CD 3.3Å; E424-K428 WeakPolarHBondContact O-CD 3.41Å; E424-K428 WeakPolarHBondContact O-CE 3.36Å; E424-K428 VanDerWaalsContact O-CG 3.26Å; E424-K428 WeakPolarHBondContact O-CG 3.48Å; E424-K428 WeakPolarHBondContact OE1-CE 3.43Å; E424-K428 IonicContact OE1-NZ 2.81Å; E424-K428 PolarHBondContact OE1-NZ 2.92Å; K425-K428 WeakPolarHBondContact O-CB 3.46Å; K425-K428 PolarHBondContact O-N 3.48Å; M426-K428 PolarHBondContact O-N 3.2Å; M426-K428 VanDerWaalsContact O-N 3.08Å
429	Q	63.4	Low	69.9	Low	71 Å²	71	84.6 Å²	84.6	33%	0.332	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-23.6	169	-65.2	177.5	-57.4	0	0	111.6	M426 M505	M426-Q429 WeakPolarHBondContact O-CB 3.45Å; M426-Q429 PolarHBondContact O-N 2.82Å; Q429-M505 PolarHBondContact NE2-O 3.28Å; Q429-M505 VanDerWaalsContact NE2-O 3.09Å; Q429-M505 VanDerWaalsContact OE1-CG 3.23Å
430	C	63.7	Low	70.3	Confident	10 Å²	10	79.8 Å²	79.8	7%	0.068	40%	0.396	C	S	.	.	S	Bend	trans	-69.5	144.8	169.9	-61.2	0	0	0	0	111.8	M426 K432 L519 Q520	M426-C430 PolarHBondContact O-N 2.79Å; C430-K432 PolarHBondContact O-N 3.1Å; C430-L519 PolarHBondContact SG-O 2.88Å; C430-Q520 HydrophobicContact CB-CG 4.24Å
431	H	65.4	Low	70.9	Confident	80 Å²	80	75.8 Å²	75.8	37%	0.37	38%	0.38	S	S	.	.			trans	-78.2	117.8	169.3	-75.6	-95.1	0	0	0	110	S433 H435 Q520	H431-S433 PolarHBondContact O-N 2.68Å; H431-H435 AromaticContact CG-CD2 3.65Å; H431-H435 AromaticContact CG-NE2 3.84Å; H431-H435 AromaticContact ND1-CD2 3.18Å; H431-H435 PolarHBondContact ND1-CD2 3.08Å; H431-H435 AromaticContact ND1-NE2 3.06Å; H431-H435 PolarHBondContact ND1-NE2 2.71Å; H431-Q520 PolarHBondContact O-NE2 3.19Å
432	K	60.9	Low	71.5	Confident	160 Å²	160	78.4 Å²	78.4	70%	0.696	40%	0.404	S	S	*	.	S	Bend	trans	-62.8	-22.6	178.2	-67.5	-174.4	176.3	-176.9	0	114.2	C430 Q520	C430-K432 PolarHBondContact O-N 3.1Å; K432-Q520 PolarHBondContact O-NE2 2.58Å
433	S	62.1	Low	72.6	Confident	64 Å²	64	81.9 Å²	81.9	45%	0.448	42%	0.417	S	S	.	.	S	Bend	trans	-124.1	137.5	-177.4	52.5	0	0	0	0	110.5	H431 H435	H431-S433 PolarHBondContact O-N 2.68Å; S433-H435 PolarHBondContact O-CD2 2.81Å; S433-H435 PolarHBondContact O-N 3Å; S433-H435 PolarHBondContact O-NE2 2.8Å; S433-H435 PolarHBondContact OG-CE1 2.91Å; S433-H435 PolarHBondContact OG-NE2 2.68Å
434	K	71.3	Confident	73.8	Confident	66 Å²	66	79.4 Å²	79.4	29%	0.287	41%	0.405	S	S	.	.			trans	-63.7	99.8	173.3	-169.3	-177	-169	-179.5	0	110.8	G451 T452 S455 K532 L534	K434-G451 VanDerWaalsContact CE-C 3.5Å; K434-G451 WeakPolarHBondContact CE-O 3.17Å; K434-T452 PolarHBondContact NZ-O 2.62Å; K434-S455 VanDerWaalsContact CE-OG 3.22Å; K434-S455 WeakPolarHBondContact CE-OG 3.28Å; K434-S455 VanDerWaalsContact NZ-CB 3.26Å; K434-S455 PolarHBondContact NZ-OG 3.02Å; K434-K532 PolarHBondContact NZ-O 2.98Å; K434-L534 WeakPolarHBondContact CE-O 3.44Å; K434-L534 PolarHBondContact NZ-O 2.81Å; K434-L534 VanDerWaalsContact NZ-O 3.1Å
435	H	74.5	Confident	74.8	Confident	75 Å²	75	80.2 Å²	80.2	35%	0.347	41%	0.411	S	S	.	.			trans	-83.6	140.5	175	-60.2	-73.2	0	0	0	110.7	H431 S433 R535	H431-H435 AromaticContact CG-CD2 3.65Å; H431-H435 AromaticContact CG-NE2 3.84Å; H431-H435 AromaticContact ND1-CD2 3.18Å; H431-H435 PolarHBondContact ND1-CD2 3.08Å; H431-H435 AromaticContact ND1-NE2 3.06Å; H431-H435 PolarHBondContact ND1-NE2 2.71Å; S433-H435 PolarHBondContact O-CD2 2.81Å; S433-H435 PolarHBondContact O-N 3Å; S433-H435 PolarHBondContact O-NE2 2.8Å; S433-H435 PolarHBondContact OG-CE1 2.91Å; S433-H435 PolarHBondContact OG-NE2 2.68Å; H435-R535 VanDerWaalsContact O-CD 3.26Å; H435-R535 WeakPolarHBondContact O-CD 3.19Å; H435-R535 PolarHBondContact O-NH1 3.45Å
436	S	74.5	Confident	76	Confident	61 Å²	61	76.2 Å²	76.2	43%	0.427	40%	0.395	S	S	.	.	S	Bend	trans	-75.4	-30.4	178.8	169.9	0	0	0	0	113.6	A450 R535	S436-A450 VanDerWaalsContact O-O 3.05Å; S436-R535 VanDerWaalsContact C-NH1 3.31Å; S436-R535 PolarHBondContact O-NH1 3.41Å
437	K	79.7	Confident	77.3	Confident	167 Å²	167	75.6 Å²	75.6	73%	0.726	39%	0.393	S	S	*	.	S	Bend	trans	-131	142.4	172.1	-62.6	-165.6	177.6	-165.3	0	110.1
438	L	84.2	Confident	78.4	Confident	33 Å²	33	79.3 Å²	79.3	17%	0.173	41%	0.412	C	S	.	.			trans	-95.6	158.6	176.4	-62.2	174	0	0	0	110.9	L444 K515 I516	L438-L444 HydrophobicContact CD1-CD2 4.01Å; L438-K515 WeakPolarHBondContact CD1-O 3.31Å; L438-I516 HydrophobicContact CD1-CB 4.49Å; L438-I516 HydrophobicContact CD1-CG1 4.37Å
439	K	76.4	Confident	79.5	Confident	207 Å²	207	74.6 Å²	74.6	90%	0.9	39%	0.394	S	S	*	.			trans	-131.5	147	173	-67	-168.3	176.5	-168.5	0	109.2
440	G	78.1	Confident	80.8	Confident	75 Å²	75	71.2 Å²	71.2	77%	0.773	38%	0.378	S	S	*	.	S	Bend	trans	84.1	17.2	176.7	0	0	0	0	0	115.9
441	I	85.7	Confident	81.9	Confident	32 Å²	32	71.2 Å²	71.2	16%	0.164	38%	0.379	C	S	.	.			trans	-125.8	81.7	170.3	-52.4	178.4	0	0	0	108.1	K443 L444 F487 A512 K515 I516	I441-K443 VanDerWaalsContact C-N 3.3Å; I441-K443 PolarHBondContact O-N 3.26Å; I441-L444 HydrophobicContact CB-CB 4.38Å; I441-L444 HydrophobicContact CG2-CB 3.91Å; I441-L444 PolarHBondContact O-N 2.8Å; I441-F487 HydrophobicContact CG2-CD2 4.18Å; I441-F487 HydrophobicContact CG2-CE2 3.58Å; I441-F487 HydrophobicContact CG2-CZ 4.44Å; I441-A512 HydrophobicContact CD1-CB 4.2Å; I441-A512 HydrophobicContact CG2-CB 4.35Å; I441-K515 HydrophobicContact CD1-CB 4.1Å; I441-I516 HydrophobicContact CD1-CD1 4.41Å; I441-I516 HydrophobicContact CD1-CG1 3.85Å; I441-I516 HydrophobicContact CG2-CD1 4.39Å
442	P	83.8	Confident	83.1	Confident	130 Å²	130	69.4 Å²	69.4	84%	0.844	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-25.1	-167.7	-23.9	35.5	0	0	0	115.2	L444	P442-L444 VanDerWaalsContact C-N 3.34Å
443	K	89.8	Confident	84.3	Confident	86 Å²	86	71.3 Å²	71.3	37%	0.374	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.7	-179.3	-72.2	-159.7	171.3	-164.2	0	114.8	I441 D466 K469 F487 P488	I441-K443 VanDerWaalsContact C-N 3.3Å; I441-K443 PolarHBondContact O-N 3.26Å; K443-D466 WeakPolarHBondContact CE-OD1 3.44Å; K443-D466 IonicContact NZ-OD1 3.5Å; K443-D466 PolarHBondContact NZ-OD1 2.79Å; K443-D466 IonicContact NZ-OD2 2.7Å; K443-D466 PolarHBondContact NZ-OD2 2.7Å; K443-K469 PolarHBondContact O-NZ 2.97Å; K443-F487 HydrophobicContact CB-CE2 4.48Å; K443-P488 HydrophobicContact CB-CG 3.81Å; K443-P488 HydrophobicContact CD-CG 3.69Å; K443-P488 HydrophobicContact CG-CG 4.35Å; K443-P488 WeakPolarHBondContact O-CD 3.45Å
444	L	93	Very high	85.6	Confident	23 Å²	23	71.5 Å²	71.5	12%	0.12	38%	0.378	C	S	.	.			trans	-81.2	118.2	179.5	175.4	71.8	0	0	0	111.2	L438 I441 P442 D446 L460 F487 I516	L438-L444 HydrophobicContact CD1-CD2 4.01Å; I441-L444 HydrophobicContact CB-CB 4.38Å; I441-L444 HydrophobicContact CG2-CB 3.91Å; I441-L444 PolarHBondContact O-N 2.8Å; P442-L444 VanDerWaalsContact C-N 3.34Å; L444-D446 HydrophobicContact CD2-CB 3.86Å; L444-D446 HydrophobicContact CG-CB 4Å; L444-D446 PolarHBondContact O-N 3.24Å; L444-L460 HydrophobicContact CD1-CD1 4.12Å; L444-F487 HydrophobicContact CB-CD2 4.14Å; L444-F487 HydrophobicContact CD1-CB 4.06Å; L444-F487 HydrophobicContact CD1-CD2 4.37Å; L444-I516 HydrophobicContact CD1-CD1 4.12Å; L444-I516 HydrophobicContact CD1-CG1 4.08Å; L444-I516 HydrophobicContact CD1-CG2 3.71Å; L444-I516 HydrophobicContact CD2-CG1 4.06Å; L444-I516 HydrophobicContact CD2-CG2 4.39Å
445	D	92.9	Very high	86.5	Confident	56 Å²	56	68.5 Å²	68.5	30%	0.299	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-87.7	99.5	159.9	-75	-81.5	0	0	0	108.2	K469 G485 V486	D445-K469 WeakPolarHBondContact OD2-CE 3.46Å; D445-K469 IonicContact OD2-NZ 3.75Å; D445-K469 PolarHBondContact OD2-NZ 3.48Å; D445-G485 CarbonylContact O-C 3.57Å; D445-G485 WeakPolarHBondContact O-CA 3.47Å; D445-V486 HydrophobicContact CB-CB 4.35Å; D445-V486 PolarHBondContact N-O 3.44Å; D445-V486 PolarHBondContact O-N 3.45Å
446	D	93	Very high	87.2	Confident	43 Å²	43	69.1 Å²	69.1	23%	0.23	38%	0.378	C	S	.	.			trans	-84.9	130.9	-170.4	-156.3	25.6	0	0	0	111.6	L444 R535 Y536	L444-D446 HydrophobicContact CD2-CB 3.86Å; L444-D446 HydrophobicContact CG-CB 4Å; L444-D446 PolarHBondContact O-N 3.24Å; D446-R535 IonicContact OD1-CZ 2.69Å; D446-R535 IonicContact OD1-NH2 2.95Å; D446-R535 PolarHBondContact OD1-NH2 2.74Å; D446-R535 IonicContact OD2-CZ 2.7Å; D446-R535 IonicContact OD2-NH1 3.6Å; D446-R535 IonicContact OD2-NH2 3.34Å; D446-R535 PolarHBondContact OD2-NH2 3.1Å; D446-Y536 PolarHBondContact OD1-OH 3.41Å
447	A	93.5	Very high	88	Confident	3 Å²	3	71.7 Å²	71.7	3%	0.025	38%	0.384	C	S	.	.			trans	-63.4	139.2	178.5	0	0	0	0	0	111	N449 A450 R481 Y536	A447-N449 PolarHBondContact O-N 2.71Å; A447-N449 VanDerWaalsContact O-N 3.13Å; A447-A450 HydrophobicContact CB-CB 4.19Å; A447-A450 WeakPolarHBondContact O-CB 3.41Å; A447-A450 PolarHBondContact O-N 2.71Å; A447-R481 CarbonylContact C-O 3.2Å; A447-R481 VanDerWaalsContact CA-O 3.3Å; A447-R481 WeakPolarHBondContact CA-O 3.46Å; A447-Y536 HydrophobicContact CB-CE1 3.81Å; A447-Y536 PolarHBondContact N-OH 3.28Å
448	N	92.1	Very high	88.7	Confident	90 Å²	90	63.8 Å²	63.8	48%	0.481	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.9	-174.6	-62	-44.6	0	0	0	113.1	R481 D482	N448-R481 PolarHBondContact N-O 2.82Å; N448-D482 PolarHBondContact N-O 3.07Å; N448-D482 PolarHBondContact ND2-OD1 2.96Å
449	N	92.4	Very high	89.2	Confident	35 Å²	35	62.4 Å²	62.4	19%	0.187	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-1	175.8	-70.6	-40.1	0	0	0	114.2	A447 G451 T452 N454 S455 C458 D482 N483	A447-N449 PolarHBondContact O-N 2.71Å; A447-N449 VanDerWaalsContact O-N 3.13Å; N449-G451 PolarHBondContact O-N 3.2Å; N449-T452 WeakPolarHBondContact O-CB 3.46Å; N449-T452 WeakPolarHBondContact O-CG2 3.16Å; N449-T452 PolarHBondContact O-N 2.89Å; N449-T452 VanDerWaalsContact O-N 3.08Å; N449-T452 PolarHBondContact O-OG1 3.1Å; N449-N454 HydrophobicContact CB-CB 3.96Å; N449-S455 PolarHBondContact O-OG 2.87Å; N449-C458 VanDerWaalsContact C-SG 3.53Å; N449-C458 WeakPolarHBondContact CB-SG 3.3Å; N449-D482 VanDerWaalsContact CB-O 3.24Å; N449-D482 WeakPolarHBondContact CB-O 3.48Å; N449-D482 PolarHBondContact N-O 3.49Å; N449-D482 PolarHBondContact ND2-O 2.83Å; N449-N483 PolarHBondContact ND2-OD1 2.91Å
450	A	89.9	Confident	90.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	137.2	176.8	0	0	0	0	0	110.8	S436 A447 T452 R535 Y536	S436-A450 VanDerWaalsContact O-O 3.05Å; A447-A450 HydrophobicContact CB-CB 4.19Å; A447-A450 WeakPolarHBondContact O-CB 3.41Å; A447-A450 PolarHBondContact O-N 2.71Å; A450-T452 PolarHBondContact O-N 3.42Å; A450-T452 VanDerWaalsContact O-N 3.1Å; A450-R535 WeakPolarHBondContact CA-O 3.04Å; A450-Y536 HydrophobicContact CB-CD2 4.46Å; A450-Y536 HydrophobicContact CB-CE1 4.19Å; A450-Y536 HydrophobicContact CB-CE2 3.75Å
451	G	87.2	Confident	91	Very high	9 Å²	9	49 Å²	49	9%	0.093	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	-3.7	-175.4	0	0	0	0	0	116.6	K434 N449 S455 R535	K434-G451 VanDerWaalsContact CE-C 3.5Å; K434-G451 WeakPolarHBondContact CE-O 3.17Å; N449-G451 PolarHBondContact O-N 3.2Å; G451-S455 WeakPolarHBondContact CA-OG 3.48Å; G451-S455 PolarHBondContact N-OG 2.79Å; G451-S455 VanDerWaalsContact N-OG 3.08Å; G451-R535 PolarHBondContact N-O 2.83Å
452	T	89.7	Confident	91.5	Very high	42 Å²	42	47.6 Å²	47.6	26%	0.258	26%	0.256	S	S	.	.	S	Bend	trans	-85.5	-162.8	178.8	76.1	0	0	0	0	112.9	K434 N449 A450 N454 S455	K434-T452 PolarHBondContact NZ-O 2.62Å; N449-T452 WeakPolarHBondContact O-CB 3.46Å; N449-T452 WeakPolarHBondContact O-CG2 3.16Å; N449-T452 PolarHBondContact O-N 2.89Å; N449-T452 VanDerWaalsContact O-N 3.08Å; N449-T452 PolarHBondContact O-OG1 3.1Å; A450-T452 PolarHBondContact O-N 3.42Å; A450-T452 VanDerWaalsContact O-N 3.1Å; T452-N454 VanDerWaalsContact C-N 3.28Å; T452-N454 PolarHBondContact OG1-N 3.3Å; T452-S455 PolarHBondContact N-OG 2.92Å; T452-S455 PolarHBondContact O-OG 3.02Å; T452-S455 VanDerWaalsContact O-OG 3.07Å
453	K	87.3	Confident	92	Very high	200 Å²	200	41.5 Å²	41.5	87%	0.87	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-28	167.3	-65.6	-178.8	-179.4	177.5	0	112.4	S455	K453-S455 PolarHBondContact O-N 3.04Å
454	N	89.1	Confident	92	Very high	69 Å²	69	39.4 Å²	39.4	37%	0.369	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	8.7	-173.1	-65.4	-2.5	0	0	0	113.4	N449 T452 S456 Q457	N449-N454 HydrophobicContact CB-CB 3.96Å; T452-N454 VanDerWaalsContact C-N 3.28Å; T452-N454 PolarHBondContact OG1-N 3.3Å; N454-S456 PolarHBondContact O-N 3.01Å; N454-S456 VanDerWaalsContact O-N 3.08Å; N454-Q457 WeakPolarHBondContact O-CB 3.17Å; N454-Q457 PolarHBondContact O-N 3.3Å
455	S	89.3	Confident	91.8	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.014	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-55.2	-29.2	-177.1	-60	0	0	0	0	115.1	K434 N449 G451 T452 K453 Q457 C458 L534 R535 Y536 G537	K434-S455 VanDerWaalsContact CE-OG 3.22Å; K434-S455 WeakPolarHBondContact CE-OG 3.28Å; K434-S455 VanDerWaalsContact NZ-CB 3.26Å; K434-S455 PolarHBondContact NZ-OG 3.02Å; N449-S455 PolarHBondContact O-OG 2.87Å; G451-S455 WeakPolarHBondContact CA-OG 3.48Å; G451-S455 PolarHBondContact N-OG 2.79Å; G451-S455 VanDerWaalsContact N-OG 3.08Å; T452-S455 PolarHBondContact N-OG 2.92Å; T452-S455 PolarHBondContact O-OG 3.02Å; T452-S455 VanDerWaalsContact O-OG 3.07Å; K453-S455 PolarHBondContact O-N 3.04Å; S455-Q457 PolarHBondContact O-N 3.14Å; S455-C458 WeakPolarHBondContact O-CB 3.45Å; S455-C458 PolarHBondContact O-N 2.81Å; S455-L534 VanDerWaalsContact CB-O 3.28Å; S455-L534 WeakPolarHBondContact CB-O 3.22Å; S455-R535 WeakPolarHBondContact CB-O 3.36Å; S455-R535 PolarHBondContact OG-O 3.15Å; S455-Y536 CarbonylContact O-C 3.41Å; S455-G537 PolarHBondContact O-N 3.36Å
456	S	89	Confident	91.5	Very high	88 Å²	88	39.9 Å²	39.9	62%	0.615	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-64.1	-19.3	175.4	50.7	0	0	0	0	113.6	N454	N454-S456 PolarHBondContact O-N 3.01Å; N454-S456 VanDerWaalsContact O-N 3.08Å
457	Q	91.1	Very high	91.1	Very high	116 Å²	116	40.9 Å²	40.9	54%	0.542	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-89.8	-12.4	172.2	-57.2	180	-5.7	0	0	112.5	N454 S455	N454-Q457 WeakPolarHBondContact O-CB 3.17Å; N454-Q457 PolarHBondContact O-N 3.3Å; S455-Q457 PolarHBondContact O-N 3.14Å
458	C	94.7	Very high	90.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.			trans	-84.2	133.1	-174.8	-59.8	0	0	0	0	111.7	N449 S455 N483 Y536 G537 K538	N449-C458 VanDerWaalsContact C-SG 3.53Å; N449-C458 WeakPolarHBondContact CB-SG 3.3Å; S455-C458 WeakPolarHBondContact O-CB 3.45Å; S455-C458 PolarHBondContact O-N 2.81Å; C458-N483 CarbonylContact C-O 3.59Å; C458-N483 VanDerWaalsContact CA-O 3.28Å; C458-N483 WeakPolarHBondContact CA-O 3.33Å; C458-Y536 HydrophobicContact CB-CD1 3.63Å; C458-Y536 HydrophobicContact CB-CE1 4.15Å; C458-Y536 HydrophobicContact CB-CG 4.35Å; C458-G537 PolarHBondContact O-N 3.33Å; C458-K538 PolarHBondContact O-N 3Å
459	T	95.5	Very high	90.7	Very high	4 Å²	4	38 Å²	38	3%	0.025	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128	174.9	-53	0	0	0	0	109.8	N483 Y484 G485 Y536 K538 M540	T459-N483 PolarHBondContact N-O 2.91Å; T459-Y484 HydrophobicContact CG2-CD1 4.4Å; T459-Y484 HydrophobicContact CG2-CE1 4.33Å; T459-Y484 WeakPolarHBondContact O-CA 3.44Å; T459-G485 PolarHBondContact O-N 3.37Å; T459-G485 VanDerWaalsContact O-N 3.09Å; T459-Y536 VanDerWaalsContact C-CD1 3.43Å; T459-K538 WeakPolarHBondContact CA-O 3.47Å; T459-K538 HydrophobicContact CG2-CB 4.01Å; T459-M540 HydrophobicContact CG2-CB 3.55Å
460	L	95.9	Very high	90.5	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	117.5	169.6	179.5	69.6	0	0	0	109	L444 L462 F487 I516 L517 Y536 K538 I539 M540	L444-L460 HydrophobicContact CD1-CD1 4.12Å; L460-L462 HydrophobicContact CD2-CD2 3.6Å; L460-L462 HydrophobicContact CD2-CG 4.36Å; L460-L462 HydrophobicContact CG-CD2 3.94Å; L460-F487 HydrophobicContact CD1-CB 4.2Å; L460-I516 HydrophobicContact CD1-CG2 3.71Å; L460-I516 HydrophobicContact CD2-CB 4.38Å; L460-I516 HydrophobicContact CD2-CG2 3.53Å; L460-I516 HydrophobicContact CG-CG2 4.25Å; L460-L517 HydrophobicContact CB-CD2 4.24Å; L460-L517 HydrophobicContact CD2-CD2 3.61Å; L460-L517 HydrophobicContact CD2-CG 4.04Å; L460-Y536 HydrophobicContact CB-CD1 3.75Å; L460-Y536 HydrophobicContact CB-CD2 4.19Å; L460-Y536 HydrophobicContact CB-CE1 4.03Å; L460-Y536 HydrophobicContact CB-CE2 4.48Å; L460-Y536 HydrophobicContact CB-CG 3.83Å; L460-Y536 HydrophobicContact CD1-CE1 4.33Å; L460-Y536 HydrophobicContact CD1-CE2 4.26Å; L460-Y536 VanDerWaalsContact N-CD1 3.35Å; L460-K538 PolarHBondContact N-O 2.59Å; L460-I539 CarbonylContact O-C 3.53Å; L460-I539 WeakPolarHBondContact O-CA 3.43Å; L460-M540 PolarHBondContact O-N 3.13Å
461	I	96.3	Very high	90.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119	172	-50	-180	0	0	0	108.2	T463 A472 Y484 G485 V486 F487 M540 M542 F631	I461-T463 HydrophobicContact CG2-CG2 3.8Å; I461-A472 HydrophobicContact CG2-CB 4.26Å; I461-Y484 HydrophobicContact CD1-CD1 4.34Å; I461-G485 PolarHBondContact N-O 3.49Å; I461-V486 HydrophobicContact CB-CG2 4.29Å; I461-V486 HydrophobicContact CD1-CG2 4.38Å; I461-V486 WeakPolarHBondContact O-CA 3.4Å; I461-F487 PolarHBondContact O-N 2.89Å; I461-M540 CarbonylContact C-O 3.47Å; I461-M540 VanDerWaalsContact CA-O 3.32Å; I461-M540 WeakPolarHBondContact CA-O 3.4Å; I461-M540 HydrophobicContact CD1-SD 4.29Å; I461-M540 HydrophobicContact CG1-CB 4.31Å; I461-M540 HydrophobicContact CG1-CG 4.42Å; I461-M540 HydrophobicContact CG1-SD 4.1Å; I461-M540 HydrophobicContact CG2-CG 4.45Å; I461-M542 HydrophobicContact CG2-CB 3.71Å; I461-M542 HydrophobicContact CG2-CG 4.38Å; I461-M542 HydrophobicContact CG2-SD 3.81Å; I461-F631 HydrophobicContact CD1-CE1 3.88Å; I461-F631 HydrophobicContact CD1-CZ 4.03Å
462	L	95.8	Very high	90.7	Very high	4 Å²	4	41 Å²	41	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116.5	172.5	-63.6	-175.6	0	0	0	108.6	L460 F487 L513 I539 M540 M542 I556	L460-L462 HydrophobicContact CD2-CD2 3.6Å; L460-L462 HydrophobicContact CD2-CG 4.36Å; L460-L462 HydrophobicContact CG-CD2 3.94Å; L462-F487 WeakPolarHBondContact CA-O 3.22Å; L462-F487 HydrophobicContact CD2-CB 4.15Å; L462-F487 HydrophobicContact CD2-CD1 4.16Å; L462-L513 HydrophobicContact CD1-CD2 4.03Å; L462-L513 HydrophobicContact CD2-CD2 3.47Å; L462-L513 VanDerWaalsContact CD2-CD2 3.47Å; L462-L513 HydrophobicContact CG-CD2 4.43Å; L462-I539 HydrophobicContact CD1-CG2 3.59Å; L462-I539 HydrophobicContact CG-CG2 3.92Å; L462-M540 PolarHBondContact N-O 3.29Å; L462-M542 PolarHBondContact O-N 3.46Å; L462-I556 HydrophobicContact CD1-CD1 4.25Å; L462-I556 HydrophobicContact CD1-CG2 4.22Å
463	T	93.7	Very high	90.7	Very high	1 Å²	1	41 Å²	41	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	148	-173	62.7	0	0	0	0	112.4	I461 G465 A468 K469 A472 V486 F487 P488 L489 M542	I461-T463 HydrophobicContact CG2-CG2 3.8Å; T463-G465 PolarHBondContact O-N 2.72Å; T463-G465 PolarHBondContact OG1-O 3.49Å; T463-A468 HydrophobicContact CG2-CB 4.49Å; T463-K469 WeakPolarHBondContact OG1-CA 3.41Å; T463-K469 WeakPolarHBondContact OG1-CB 3.2Å; T463-K469 PolarHBondContact OG1-N 3.49Å; T463-A472 HydrophobicContact CG2-CB 3.78Å; T463-V486 HydrophobicContact CG2-CG1 3.78Å; T463-F487 PolarHBondContact N-O 2.8Å; T463-P488 WeakPolarHBondContact O-CA 3.5Å; T463-P488 WeakPolarHBondContact OG1-CA 3.49Å; T463-L489 PolarHBondContact O-N 2.8Å; T463-M542 WeakPolarHBondContact CA-O 3.42Å; T463-M542 HydrophobicContact CG2-CB 4.29Å; T463-M542 HydrophobicContact CG2-CG 4.49Å; T463-M542 HydrophobicContact CG2-SD 4.39Å
464	E	90.4	Very high	90.9	Very high	42 Å²	42	32.5 Å²	32.5	20%	0.196	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	105.1	173.3	-176.4	156.5	-159.7	0	0	111.4	A468 M542 T543 D544 I552	E464-A468 HydrophobicContact CB-CB 4.42Å; E464-A468 VanDerWaalsContact O-CB 3.26Å; E464-A468 WeakPolarHBondContact O-CB 3.16Å; E464-M542 PolarHBondContact N-O 3.29Å; E464-T543 HydrophobicContact CB-CG2 4.5Å; E464-T543 VanDerWaalsContact OE2-CB 3.27Å; E464-T543 WeakPolarHBondContact OE2-CB 3.33Å; E464-D544 PolarHBondContact OE2-N 2.88Å; E464-I552 HydrophobicContact CG-CD1 4.11Å; E464-I552 WeakPolarHBondContact OE1-CD1 3.37Å
465	G	88.1	Confident	90.9	Very high	23 Å²	23	29.2 Å²	29.2	24%	0.237	18%	0.175	C	C	.	.	H	α-helix	trans	61.5	-168.8	-175.7	0	0	0	0	0	114.5	T463 P488 L489	T463-G465 PolarHBondContact O-N 2.72Å; T463-G465 PolarHBondContact OG1-O 3.49Å; G465-P488 VanDerWaalsContact O-CB 3.23Å; G465-P488 WeakPolarHBondContact O-CB 3.49Å; G465-L489 WeakPolarHBondContact CA-O 3.33Å; G465-L489 PolarHBondContact N-O 2.98Å
466	D	87.5	Confident	90.8	Very high	66 Å²	66	29.4 Å²	29.4	35%	0.353	18%	0.176	S	C	.	.	H	α-helix	trans	-83.4	-14.8	180	-57	-58.5	0	0	0	113	K443 K469 T470	K443-D466 WeakPolarHBondContact CE-OD1 3.44Å; K443-D466 IonicContact NZ-OD1 3.5Å; K443-D466 PolarHBondContact NZ-OD1 2.79Å; K443-D466 IonicContact NZ-OD2 2.7Å; K443-D466 PolarHBondContact NZ-OD2 2.7Å; D466-K469 WeakPolarHBondContact O-CB 3.22Å; D466-T470 PolarHBondContact O-N 2.94Å; D466-T470 VanDerWaalsContact O-N 3.13Å; D466-T470 PolarHBondContact O-OG1 3.23Å
467	S	84.9	Confident	90.8	Very high	65 Å²	65	28.5 Å²	28.5	46%	0.455	18%	0.18	S	C	.	.	H	α-helix	trans	-68.1	-59	175.3	-176.6	0	0	0	0	111	K469 T470 L471 G620	S467-K469 PolarHBondContact O-N 3.33Å; S467-T470 WeakPolarHBondContact O-CB 3.33Å; S467-T470 PolarHBondContact O-N 3.2Å; S467-L471 PolarHBondContact O-N 2.73Å; S467-G620 WeakPolarHBondContact OG-CA 3.33Å
468	A	86.2	Confident	90.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-30.1	174.6	0	0	0	0	0	112.5	T463 E464 T470 L471 A472 L619	T463-A468 HydrophobicContact CG2-CB 4.49Å; E464-A468 HydrophobicContact CB-CB 4.42Å; E464-A468 VanDerWaalsContact O-CB 3.26Å; E464-A468 WeakPolarHBondContact O-CB 3.16Å; A468-T470 VanDerWaalsContact C-N 3.32Å; A468-T470 PolarHBondContact O-N 3.18Å; A468-L471 PolarHBondContact O-N 3.41Å; A468-A472 PolarHBondContact O-N 3.21Å; A468-L619 HydrophobicContact CB-CB 4.15Å; A468-L619 HydrophobicContact CB-CD1 3.49Å; A468-L619 VanDerWaalsContact CB-CD1 3.49Å; A468-L619 HydrophobicContact CB-CG 4.45Å
469	K	89.9	Confident	90.5	Very high	33 Å²	33	28.1 Å²	28.1	14%	0.143	19%	0.186	C	C	.	.	H	α-helix	trans	-56.4	-45.7	170	174	174.3	179	169.1	0	111.6	K443 D445 T463 D466 S467 L471 A472 V473 V486 P488	K443-K469 PolarHBondContact O-NZ 2.97Å; D445-K469 WeakPolarHBondContact OD2-CE 3.46Å; D445-K469 IonicContact OD2-NZ 3.75Å; D445-K469 PolarHBondContact OD2-NZ 3.48Å; T463-K469 WeakPolarHBondContact OG1-CA 3.41Å; T463-K469 WeakPolarHBondContact OG1-CB 3.2Å; T463-K469 PolarHBondContact OG1-N 3.49Å; D466-K469 WeakPolarHBondContact O-CB 3.22Å; S467-K469 PolarHBondContact O-N 3.33Å; K469-L471 VanDerWaalsContact C-N 3.3Å; K469-L471 PolarHBondContact O-N 3.08Å; K469-A472 PolarHBondContact O-N 3.4Å; K469-V473 HydrophobicContact CG-CG2 4.06Å; K469-V473 WeakPolarHBondContact O-CB 3.41Å; K469-V473 WeakPolarHBondContact O-CG2 3.31Å; K469-V473 PolarHBondContact O-N 3.45Å; K469-V486 HydrophobicContact CB-CG1 4.39Å; K469-V486 HydrophobicContact CG-CG1 3.93Å; K469-P488 HydrophobicContact CB-CB 4.24Å; K469-P488 HydrophobicContact CD-CB 4.34Å; K469-P488 HydrophobicContact CD-CG 3.91Å
470	T	88.6	Confident	90.3	Very high	96 Å²	96	29.3 Å²	29.3	59%	0.589	20%	0.199	S	C	*	.	H	α-helix	trans	-64.1	-38.7	-177.6	-58.5	0	0	0	0	110.9	D466 S467 A468 V473 A474	D466-T470 PolarHBondContact O-N 2.94Å; D466-T470 VanDerWaalsContact O-N 3.13Å; D466-T470 PolarHBondContact O-OG1 3.23Å; S467-T470 WeakPolarHBondContact O-CB 3.33Å; S467-T470 PolarHBondContact O-N 3.2Å; A468-T470 VanDerWaalsContact C-N 3.32Å; A468-T470 PolarHBondContact O-N 3.18Å; T470-V473 PolarHBondContact O-N 3.22Å; T470-A474 PolarHBondContact O-N 2.82Å
471	L	90.1	Very high	90.1	Very high	10 Å²	10	36.5 Å²	36.5	5%	0.052	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-46.2	172.2	-158.8	77.6	0	0	0	112	S467 A468 K469 A474 G475 M542 L619 S622 A627	S467-L471 PolarHBondContact O-N 2.73Å; A468-L471 PolarHBondContact O-N 3.41Å; K469-L471 VanDerWaalsContact C-N 3.3Å; K469-L471 PolarHBondContact O-N 3.08Å; L471-A474 PolarHBondContact O-N 3.45Å; L471-G475 PolarHBondContact O-N 3.09Å; L471-M542 HydrophobicContact CB-CE 4.07Å; L471-M542 HydrophobicContact CD2-CE 3.7Å; L471-M542 HydrophobicContact CG-CE 4.11Å; L471-L619 HydrophobicContact CD2-CB 3.98Å; L471-L619 HydrophobicContact CD2-CD2 3.82Å; L471-L619 HydrophobicContact CD2-CG 4.4Å; L471-S622 VanDerWaalsContact CD1-O 3.27Å; L471-S622 WeakPolarHBondContact CD1-O 3.15Å; L471-A627 HydrophobicContact CD1-CB 3.55Å; L471-A627 HydrophobicContact CG-CB 3.93Å
472	A	90.9	Very high	89.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-41.4	177.5	0	0	0	0	0	112.8	I461 T463 A468 K469 A474 G475 L476 V486 M542 F631	I461-A472 HydrophobicContact CG2-CB 4.26Å; T463-A472 HydrophobicContact CG2-CB 3.78Å; A468-A472 PolarHBondContact O-N 3.21Å; K469-A472 PolarHBondContact O-N 3.4Å; A472-A474 VanDerWaalsContact C-N 3.35Å; A472-A474 PolarHBondContact O-N 3.11Å; A472-G475 CarbonylContact O-C 3.49Å; A472-G475 WeakPolarHBondContact O-CA 3.26Å; A472-G475 PolarHBondContact O-N 3.44Å; A472-L476 PolarHBondContact O-N 3.48Å; A472-V486 HydrophobicContact CB-CG1 3.92Å; A472-V486 HydrophobicContact CB-CG2 3.94Å; A472-M542 HydrophobicContact CB-CE 4.21Å; A472-M542 HydrophobicContact CB-SD 3.79Å; A472-F631 HydrophobicContact CB-CZ 4.47Å
473	V	91	Very high	89.8	Confident	42 Å²	42	42.5 Å²	42.5	26%	0.255	26%	0.258	S	S	.	.	H	α-helix	trans	-67	-33.9	177.4	171	0	0	0	0	111.7	K469 T470 G475 L476 V486	K469-V473 HydrophobicContact CG-CG2 4.06Å; K469-V473 WeakPolarHBondContact O-CB 3.41Å; K469-V473 WeakPolarHBondContact O-CG2 3.31Å; K469-V473 PolarHBondContact O-N 3.45Å; T470-V473 PolarHBondContact O-N 3.22Å; V473-G475 VanDerWaalsContact C-N 3.34Å; V473-L476 HydrophobicContact CG2-CD1 4.4Å; V473-L476 WeakPolarHBondContact O-CB 3.39Å; V473-L476 PolarHBondContact O-N 2.9Å; V473-V486 HydrophobicContact CG2-CB 4.49Å; V473-V486 HydrophobicContact CG2-CG2 4.39Å
474	A	90.1	Very high	89.9	Confident	21 Å²	21	44.3 Å²	44.3	17%	0.174	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-39.1	168.2	0	0	0	0	0	111.8	T470 L471 A472 G477 A627	T470-A474 PolarHBondContact O-N 2.82Å; L471-A474 PolarHBondContact O-N 3.45Å; A472-A474 VanDerWaalsContact C-N 3.35Å; A472-A474 PolarHBondContact O-N 3.11Å; A474-G477 PolarHBondContact O-N 3.4Å; A474-G477 VanDerWaalsContact O-N 3.13Å; A474-A627 HydrophobicContact CB-CB 4.01Å
475	G	88.9	Confident	90.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.5	-34.6	173.4	0	0	0	0	0	114.7	L471 A472 V473 G477 V478 V479	L471-G475 PolarHBondContact O-N 3.09Å; A472-G475 CarbonylContact O-C 3.49Å; A472-G475 WeakPolarHBondContact O-CA 3.26Å; A472-G475 PolarHBondContact O-N 3.44Å; V473-G475 VanDerWaalsContact C-N 3.34Å; G475-G477 PolarHBondContact O-N 3.06Å; G475-G477 VanDerWaalsContact O-N 3.11Å; G475-V478 PolarHBondContact O-N 3.24Å; G475-V479 PolarHBondContact O-N 2.68Å
476	L	89.2	Confident	90.4	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-57.9	-23	171.9	-62.5	-179	0	0	0	112.8	A472 V473 V478 V479 G480 R481 Y484 V486	A472-L476 PolarHBondContact O-N 3.48Å; V473-L476 HydrophobicContact CG2-CD1 4.4Å; V473-L476 WeakPolarHBondContact O-CB 3.39Å; V473-L476 PolarHBondContact O-N 2.9Å; L476-V478 PolarHBondContact O-N 3.48Å; L476-V479 HydrophobicContact CD2-CG2 4.45Å; L476-G480 VanDerWaalsContact O-CA 3.3Å; L476-G480 WeakPolarHBondContact O-CA 3.45Å; L476-G480 PolarHBondContact O-N 3.27Å; L476-R481 HydrophobicContact CB-CG 4.36Å; L476-R481 HydrophobicContact CD1-CG 4.31Å; L476-Y484 VanDerWaalsContact CD2-CB 3.41Å; L476-V486 HydrophobicContact CD1-CG2 3.91Å; L476-V486 HydrophobicContact CD2-CG2 4.23Å; L476-V486 HydrophobicContact CG-CG2 4.18Å
477	G	87.8	Confident	90.8	Very high	68 Å²	68	38.3 Å²	38.3	70%	0.701	23%	0.229	S	C	*	.	H	α-helix	trans	-68.1	-11.8	172.7	0	0	0	0	0	114.7	A474 G475	A474-G477 PolarHBondContact O-N 3.4Å; A474-G477 VanDerWaalsContact O-N 3.13Å; G475-G477 PolarHBondContact O-N 3.06Å; G475-G477 VanDerWaalsContact O-N 3.11Å
478	V	89.9	Confident	91.2	Very high	67 Å²	67	35.3 Å²	35.3	41%	0.406	21%	0.208	S	C	.	.	H	α-helix	trans	-108.2	-47.7	176	-177.1	0	0	0	0	111.2	G475 L476 K628 F631	G475-V478 PolarHBondContact O-N 3.24Å; L476-V478 PolarHBondContact O-N 3.48Å; V478-K628 HydrophobicContact CG2-CB 3.67Å; V478-K628 HydrophobicContact CG2-CG 3.77Å; V478-F631 HydrophobicContact CB-CB 4.29Å
479	V	90.2	Very high	91.5	Very high	41 Å²	41	35.5 Å²	35.5	25%	0.248	21%	0.209	C	C	.	.	H	α-helix	trans	-89	-9.2	-175	-60.4	0	0	0	0	114.7	G475 L476 Y484 F631 M634	G475-V479 PolarHBondContact O-N 2.68Å; L476-V479 HydrophobicContact CD2-CG2 4.45Å; V479-Y484 HydrophobicContact CB-CD2 3.79Å; V479-Y484 HydrophobicContact CB-CE2 3.68Å; V479-Y484 HydrophobicContact CG2-CD1 4.35Å; V479-Y484 HydrophobicContact CG2-CD2 3.46Å; V479-Y484 VanDerWaalsContact CG2-CD2 3.46Å; V479-Y484 HydrophobicContact CG2-CE2 3.83Å; V479-Y484 HydrophobicContact CG2-CG 3.77Å; V479-F631 HydrophobicContact CG1-CB 4.3Å; V479-F631 HydrophobicContact CG1-CD1 3.92Å; V479-F631 HydrophobicContact CG2-CD1 3.86Å; V479-F631 HydrophobicContact CG2-CE1 4.28Å; V479-M634 HydrophobicContact CG1-CE 4.11Å
480	G	89.9	Confident	91.2	Very high	30 Å²	30	42.6 Å²	42.6	31%	0.309	24%	0.235	S	C	.	.			trans	81.8	150.5	179	0	0	0	0	0	114.5	L476 D482	L476-G480 VanDerWaalsContact O-CA 3.3Å; L476-G480 WeakPolarHBondContact O-CA 3.45Å; L476-G480 PolarHBondContact O-N 3.27Å; G480-D482 VanDerWaalsContact C-N 3.3Å; G480-D482 PolarHBondContact O-N 3.21Å
481	R	92.7	Very high	91	Very high	150 Å²	150	39.6 Å²	39.6	57%	0.566	22%	0.223	S	C	*	.	S	Bend	trans	-79.3	-5.9	179	-67.7	-173.9	171	109.1	-3.2	114.5	A447 N448 L476	A447-R481 CarbonylContact C-O 3.2Å; A447-R481 VanDerWaalsContact CA-O 3.3Å; A447-R481 WeakPolarHBondContact CA-O 3.46Å; N448-R481 PolarHBondContact N-O 2.82Å; L476-R481 HydrophobicContact CB-CG 4.36Å; L476-R481 HydrophobicContact CD1-CG 4.31Å
482	D	92.9	Very high	90.8	Very high	88 Å²	88	44.5 Å²	44.5	47%	0.471	24%	0.244	S	C	.	.	S	Bend	trans	-72.3	-42.8	-172.5	-75.8	-1.7	0	0	0	112.6	N448 N449 G480	N448-D482 PolarHBondContact N-O 3.07Å; N448-D482 PolarHBondContact ND2-OD1 2.96Å; N449-D482 VanDerWaalsContact CB-O 3.24Å; N449-D482 WeakPolarHBondContact CB-O 3.48Å; N449-D482 PolarHBondContact N-O 3.49Å; N449-D482 PolarHBondContact ND2-O 2.83Å; G480-D482 VanDerWaalsContact C-N 3.3Å; G480-D482 PolarHBondContact O-N 3.21Å
483	N	93.9	Very high	90.8	Very high	42 Å²	42	45 Å²	45	23%	0.225	25%	0.247	C	C	.	.	S	Bend	trans	-116.7	7.2	-174.9	-69.8	-18	0	0	0	113.3	N449 C458 T459	N449-N483 PolarHBondContact ND2-OD1 2.91Å; C458-N483 CarbonylContact C-O 3.59Å; C458-N483 VanDerWaalsContact CA-O 3.28Å; C458-N483 WeakPolarHBondContact CA-O 3.33Å; T459-N483 PolarHBondContact N-O 2.91Å
484	Y	94.7	Very high	90.8	Very high	39 Å²	39	45.7 Å²	45.7	15%	0.153	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	127.7	178.3	-66.5	-86.1	0	0	0	110.6	T459 I461 L476 V479 R638	T459-Y484 HydrophobicContact CG2-CD1 4.4Å; T459-Y484 HydrophobicContact CG2-CE1 4.33Å; T459-Y484 WeakPolarHBondContact O-CA 3.44Å; I461-Y484 HydrophobicContact CD1-CD1 4.34Å; L476-Y484 VanDerWaalsContact CD2-CB 3.41Å; V479-Y484 HydrophobicContact CB-CD2 3.79Å; V479-Y484 HydrophobicContact CB-CE2 3.68Å; V479-Y484 HydrophobicContact CG2-CD1 4.35Å; V479-Y484 HydrophobicContact CG2-CD2 3.46Å; V479-Y484 VanDerWaalsContact CG2-CD2 3.46Å; V479-Y484 HydrophobicContact CG2-CE2 3.83Å; V479-Y484 HydrophobicContact CG2-CG 3.77Å; Y484-R638 PolarHBondContact OH-NH2 3.28Å
485	G	94.2	Very high	90.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	160.3	172.7	0	0	0	0	0	110.3	D445 T459 I461	D445-G485 CarbonylContact O-C 3.57Å; D445-G485 WeakPolarHBondContact O-CA 3.47Å; T459-G485 PolarHBondContact O-N 3.37Å; T459-G485 VanDerWaalsContact O-N 3.09Å; I461-G485 PolarHBondContact N-O 3.49Å
486	V	95.2	Very high	90.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	133.1	-174.5	-175.1	0	0	0	0	110.3	D445 I461 T463 K469 A472 V473 L476	D445-V486 HydrophobicContact CB-CB 4.35Å; D445-V486 PolarHBondContact N-O 3.44Å; D445-V486 PolarHBondContact O-N 3.45Å; I461-V486 HydrophobicContact CB-CG2 4.29Å; I461-V486 HydrophobicContact CD1-CG2 4.38Å; I461-V486 WeakPolarHBondContact O-CA 3.4Å; T463-V486 HydrophobicContact CG2-CG1 3.78Å; K469-V486 HydrophobicContact CB-CG1 4.39Å; K469-V486 HydrophobicContact CG-CG1 3.93Å; A472-V486 HydrophobicContact CB-CG1 3.92Å; A472-V486 HydrophobicContact CB-CG2 3.94Å; V473-V486 HydrophobicContact CG2-CB 4.49Å; V473-V486 HydrophobicContact CG2-CG2 4.39Å; L476-V486 HydrophobicContact CD1-CG2 3.91Å; L476-V486 HydrophobicContact CD2-CG2 4.23Å; L476-V486 HydrophobicContact CG-CG2 4.18Å
487	F	95.1	Very high	90.7	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	121.6	173.5	-177.2	-105.7	0	0	0	111.5	I441 K443 L444 L460 I461 L462 T463 L489 A512 L513 I516	I441-F487 HydrophobicContact CG2-CD2 4.18Å; I441-F487 HydrophobicContact CG2-CE2 3.58Å; I441-F487 HydrophobicContact CG2-CZ 4.44Å; K443-F487 HydrophobicContact CB-CE2 4.48Å; L444-F487 HydrophobicContact CB-CD2 4.14Å; L444-F487 HydrophobicContact CD1-CB 4.06Å; L444-F487 HydrophobicContact CD1-CD2 4.37Å; L460-F487 HydrophobicContact CD1-CB 4.2Å; I461-F487 PolarHBondContact O-N 2.89Å; L462-F487 WeakPolarHBondContact CA-O 3.22Å; L462-F487 HydrophobicContact CD2-CB 4.15Å; L462-F487 HydrophobicContact CD2-CD1 4.16Å; T463-F487 PolarHBondContact N-O 2.8Å; F487-L489 HydrophobicContact CD1-CD2 4.27Å; F487-L489 HydrophobicContact CE1-CD2 4.16Å; F487-A512 HydrophobicContact CE1-CB 4.31Å; F487-A512 HydrophobicContact CE2-CB 4.36Å; F487-A512 HydrophobicContact CZ-CB 3.73Å; F487-L513 HydrophobicContact CD1-CD2 3.83Å; F487-L513 HydrophobicContact CE1-CD2 4.08Å; F487-L513 HydrophobicContact CE1-CG 4.41Å; F487-I516 HydrophobicContact CB-CD1 4.1Å; F487-I516 HydrophobicContact CD1-CD1 3.76Å; F487-I516 HydrophobicContact CD2-CD1 3.52Å; F487-I516 HydrophobicContact CE1-CD1 4.04Å; F487-I516 HydrophobicContact CE2-CD1 3.83Å; F487-I516 HydrophobicContact CG-CD1 3.49Å; F487-I516 VanDerWaalsContact CG-CD1 3.49Å; F487-I516 HydrophobicContact CZ-CD1 4.08Å
488	P	94.3	Very high	90.4	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.013	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	132.3	178.2	33.1	-32.6	0	0	0	111.2	K443 T463 G465 K469	K443-P488 HydrophobicContact CB-CG 3.81Å; K443-P488 HydrophobicContact CD-CG 3.69Å; K443-P488 HydrophobicContact CG-CG 4.35Å; K443-P488 WeakPolarHBondContact O-CD 3.45Å; T463-P488 WeakPolarHBondContact O-CA 3.5Å; T463-P488 WeakPolarHBondContact OG1-CA 3.49Å; G465-P488 VanDerWaalsContact O-CB 3.23Å; G465-P488 WeakPolarHBondContact O-CB 3.49Å; K469-P488 HydrophobicContact CB-CB 4.24Å; K469-P488 HydrophobicContact CD-CB 4.34Å; K469-P488 HydrophobicContact CD-CG 3.91Å
489	L	92.6	Very high	89.9	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	138.1	166.8	-57.9	-179.9	0	0	0	109.2	T463 G465 F487 G491 L513 I552 I556	T463-L489 PolarHBondContact O-N 2.8Å; G465-L489 WeakPolarHBondContact CA-O 3.33Å; G465-L489 PolarHBondContact N-O 2.98Å; F487-L489 HydrophobicContact CD1-CD2 4.27Å; F487-L489 HydrophobicContact CE1-CD2 4.16Å; L489-G491 PolarHBondContact O-N 3.07Å; L489-G491 VanDerWaalsContact O-N 3.17Å; L489-L513 HydrophobicContact CD2-CD1 4.08Å; L489-L513 HydrophobicContact CD2-CD2 4.16Å; L489-L513 HydrophobicContact CD2-CG 4.44Å; L489-I552 HydrophobicContact CD1-CG2 4.03Å; L489-I556 HydrophobicContact CD1-CD1 3.83Å; L489-I556 HydrophobicContact CD1-CG1 4.27Å
490	R	83.3	Confident	89.3	Confident	181 Å²	181	46.6 Å²	46.6	68%	0.683	23%	0.23	S	C	*	.			trans	-67.8	-6.3	175.7	-75.8	-175.8	-117.1	-164.9	1.4	115.6	E509	R490-E509 WeakPolarHBondContact CG-OE2 3.37Å; R490-E509 IonicContact CZ-OE1 2.7Å; R490-E509 PolarHBondContact N-OE2 2.95Å; R490-E509 IonicContact NE-OE1 3.61Å; R490-E509 PolarHBondContact NE-OE1 3.42Å; R490-E509 IonicContact NE-OE2 3.71Å; R490-E509 IonicContact NH2-OE1 3.5Å; R490-E509 PolarHBondContact NH2-OE1 2.74Å
491	G	84	Confident	88.5	Confident	33 Å²	33	47.3 Å²	47.3	34%	0.34	23%	0.227	S	C	.	.	S	Bend	trans	147.7	-157.7	-176.1	0	0	0	0	0	111.2	L489 L493	L489-G491 PolarHBondContact O-N 3.07Å; L489-G491 VanDerWaalsContact O-N 3.17Å; G491-L493 PolarHBondContact O-N 3.1Å
492	K	87	Confident	87.7	Confident	113 Å²	113	46.1 Å²	46.1	49%	0.491	23%	0.226	S	C	.	.	S	Bend	trans	-54.7	121.7	-179.3	-68	176.5	179	173.1	0	111.9	D548 I552 L555	K492-D548 WeakPolarHBondContact CE-OD1 3.28Å; K492-D548 IonicContact NZ-OD1 2.74Å; K492-D548 PolarHBondContact NZ-OD1 3.42Å; K492-I552 HydrophobicContact CG-CD1 4.48Å; K492-I552 HydrophobicContact CG-CG1 4.15Å; K492-L555 HydrophobicContact CB-CD1 4.22Å
493	L	90.7	Very high	87.1	Confident	12 Å²	12	46.8 Å²	46.8	6%	0.063	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-70.8	143	-177.8	-172.8	68.8	0	0	0	111.2	G491 N495 I510 L513 L555 I556 F559	G491-L493 PolarHBondContact O-N 3.1Å; L493-N495 PolarHBondContact O-N 2.84Å; L493-I510 HydrophobicContact CD1-CG1 3.97Å; L493-L513 HydrophobicContact CD1-CD1 4.07Å; L493-L513 HydrophobicContact CD2-CD1 4.44Å; L493-L555 HydrophobicContact CB-CB 4.11Å; L493-L555 WeakPolarHBondContact O-CD1 3.5Å; L493-I556 HydrophobicContact CD2-CG1 4.15Å; L493-F559 HydrophobicContact CD2-CB 3.89Å; L493-F559 HydrophobicContact CD2-CD1 4.46Å; L493-F559 HydrophobicContact CD2-CG 4.19Å
494	L	90.4	Very high	86.7	Confident	56 Å²	56	45.3 Å²	45.3	29%	0.293	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-63.1	128	178.7	173.7	65.3	0	0	0	111.5	V496 A499 Q503 N507 I510	L494-V496 PolarHBondContact O-N 3.4Å; L494-A499 HydrophobicContact CD1-CB 4.22Å; L494-A499 HydrophobicContact CD2-CB 3.83Å; L494-A499 HydrophobicContact CG-CB 4Å; L494-Q503 HydrophobicContact CD2-CB 4.33Å; L494-N507 HydrophobicContact CD2-CB 4.24Å; L494-I510 HydrophobicContact CB-CD1 3.96Å; L494-I510 HydrophobicContact CD2-CD1 4.16Å; L494-I510 HydrophobicContact CG-CD1 4.42Å
495	N	91.2	Very high	85.8	Confident	39 Å²	39	45 Å²	45	21%	0.209	22%	0.218	C	C	.	.			trans	-66	95.7	172.1	-178.8	-0.2	0	0	0	110.9	L493 R497 E498 A499 L555 N558 F656	L493-N495 PolarHBondContact O-N 2.84Å; N495-R497 PolarHBondContact O-N 2.84Å; N495-R497 VanDerWaalsContact O-N 3.15Å; N495-R497 VanDerWaalsContact OD1-CB 3.29Å; N495-R497 WeakPolarHBondContact OD1-CB 3.25Å; N495-R497 PolarHBondContact OD1-N 3.08Å; N495-R497 VanDerWaalsContact OD1-N 3.12Å; N495-E498 PolarHBondContact O-N 2.74Å; N495-A499 PolarHBondContact O-N 3.37Å; N495-L555 HydrophobicContact CB-CD2 4.18Å; N495-N558 PolarHBondContact OD1-ND2 3.16Å; N495-F656 PolarHBondContact ND2-O 3.42Å
496	V	88.1	Confident	85.3	Confident	7 Å²	7	50.9 Å²	50.9	4%	0.042	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.1	-177.5	-63.4	0	0	0	0	115.2	L494 I504 I510 F559 C562	L494-V496 PolarHBondContact O-N 3.4Å; V496-I504 HydrophobicContact CB-CD1 4.14Å; V496-I504 HydrophobicContact CG1-CD1 4.48Å; V496-I504 HydrophobicContact CG1-CG1 4.37Å; V496-I510 HydrophobicContact CG1-CD1 3.48Å; V496-I510 VanDerWaalsContact CG1-CD1 3.48Å; V496-I510 HydrophobicContact CG1-CG1 4.4Å; V496-F559 HydrophobicContact CG1-CD2 3.91Å; V496-F559 HydrophobicContact CG2-CB 4.36Å; V496-F559 HydrophobicContact CG2-CD2 4.18Å; V496-C562 HydrophobicContact CG2-CB 3.89Å
497	R	87.5	Confident	84.8	Confident	53 Å²	53	52.9 Å²	52.9	20%	0.2	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-36.3	177.8	-171	176	-64.9	-89.9	-7.4	112	N495 N558 H561 D657	N495-R497 PolarHBondContact O-N 2.84Å; N495-R497 VanDerWaalsContact O-N 3.15Å; N495-R497 VanDerWaalsContact OD1-CB 3.29Å; N495-R497 WeakPolarHBondContact OD1-CB 3.25Å; N495-R497 PolarHBondContact OD1-N 3.08Å; N495-R497 VanDerWaalsContact OD1-N 3.12Å; R497-N558 PolarHBondContact NE-OD1 2.98Å; R497-N558 PolarHBondContact NH2-OD1 3Å; R497-H561 PolarHBondContact NH2-ND1 3.32Å; R497-D657 WeakPolarHBondContact CD-OD2 3.35Å; R497-D657 IonicContact NH1-OD2 3.26Å
498	E	80.1	Confident	84.5	Confident	70 Å²	70	55.2 Å²	55.2	33%	0.327	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-21.9	-179.7	-63	-55.4	140.2	0	0	113.1	N495 K658	N495-E498 PolarHBondContact O-N 2.74Å; E498-K658 HydrophobicContact CG-CB 4.04Å; E498-K658 WeakPolarHBondContact OE1-CB 3.26Å; E498-K658 PolarHBondContact OE1-N 2.95Å; E498-K658 VanDerWaalsContact OE2-CB 3.26Å; E498-K658 WeakPolarHBondContact OE2-CB 3.42Å
499	A	80.5	Confident	84.3	Confident	15 Å²	15	56.4 Å²	56.4	12%	0.124	28%	0.282	C	S	.	.	S	Bend	trans	-66.3	137.7	178.7	0	0	0	0	0	112.2	L494 N495 Q503 I504	L494-A499 HydrophobicContact CD1-CB 4.22Å; L494-A499 HydrophobicContact CD2-CB 3.83Å; L494-A499 HydrophobicContact CG-CB 4Å; N495-A499 PolarHBondContact O-N 3.37Å; A499-Q503 HydrophobicContact CB-CB 4.3Å; A499-I504 HydrophobicContact CB-CD1 4.2Å; A499-I504 HydrophobicContact CB-CG1 3.75Å
500	S	76.5	Confident	84.1	Confident	39 Å²	39	56.2 Å²	56.2	27%	0.273	28%	0.281	S	S	.	.			trans	-66.9	153.4	170.2	67	0	0	0	0	111.4	K502 Q503 I504	S500-K502 PolarHBondContact O-N 3.49Å; S500-Q503 PolarHBondContact O-N 3.08Å; S500-Q503 PolarHBondContact OG-N 3.36Å; S500-Q503 PolarHBondContact OG-OE1 3.39Å; S500-I504 WeakPolarHBondContact O-CG1 3.25Å; S500-I504 PolarHBondContact O-N 2.98Å
501	N	73.2	Confident	84.3	Confident	45 Å²	45	48.6 Å²	48.6	24%	0.241	25%	0.254	C	S	.	.	H	α-helix	trans	-49.5	-33.2	172.5	-66	-33.9	0	0	0	112.3	S350 M426 M505	S350-N501 PolarHBondContact O-ND2 3.48Å; S350-N501 VanDerWaalsContact O-ND2 3.13Å; M426-N501 HydrophobicContact SD-CB 4.45Å; N501-M505 HydrophobicContact CB-CE 4.29Å; N501-M505 WeakPolarHBondContact O-CB 2.75Å; N501-M505 VanDerWaalsContact O-CE 3.25Å; N501-M505 WeakPolarHBondContact O-CE 3.36Å; N501-M505 WeakPolarHBondContact O-CG 3.43Å; N501-M505 PolarHBondContact O-N 3.07Å
502	K	75.4	Confident	84.6	Confident	125 Å²	125	47.6 Å²	47.6	54%	0.543	24%	0.243	S	C	.	.	H	α-helix	trans	-62.6	-55.6	175.5	-175.4	-172.9	172.6	-166.8	0	111	S500 I504 M505 E506	S500-K502 PolarHBondContact O-N 3.49Å; K502-I504 VanDerWaalsContact C-N 3.28Å; K502-I504 PolarHBondContact O-N 3.31Å; K502-M505 PolarHBondContact O-N 3.07Å; K502-M505 VanDerWaalsContact O-N 3.15Å; K502-E506 WeakPolarHBondContact CE-OE1 3.37Å; K502-E506 WeakPolarHBondContact CE-OE2 3.28Å; K502-E506 VanDerWaalsContact CG-OE1 3.31Å; K502-E506 WeakPolarHBondContact CG-OE1 3.42Å; K502-E506 WeakPolarHBondContact CG-OE2 3.15Å; K502-E506 IonicContact NZ-OE1 2.83Å; K502-E506 WeakPolarHBondContact O-CB 3.39Å; K502-E506 WeakPolarHBondContact O-CG 3.3Å; K502-E506 PolarHBondContact O-N 3.24Å
503	Q	82	Confident	84.9	Confident	101 Å²	101	42.4 Å²	42.4	47%	0.472	22%	0.22	S	C	.	.	H	α-helix	trans	-59.5	-37.3	179.4	-71.1	157.6	-59.6	0	0	112.2	L494 A499 S500 E506 N507	L494-Q503 HydrophobicContact CD2-CB 4.33Å; A499-Q503 HydrophobicContact CB-CB 4.3Å; S500-Q503 PolarHBondContact O-N 3.08Å; S500-Q503 PolarHBondContact OG-N 3.36Å; S500-Q503 PolarHBondContact OG-OE1 3.39Å; Q503-E506 PolarHBondContact O-N 3.44Å; Q503-N507 VanDerWaalsContact O-CB 3.3Å; Q503-N507 WeakPolarHBondContact O-CB 3.5Å; Q503-N507 PolarHBondContact O-N 2.82Å
504	I	83.7	Confident	84.8	Confident	11 Å²	11	42.1 Å²	42.1	6%	0.056	22%	0.219	C	C	.	.	H	α-helix	trans	-66.5	-46.6	175.3	-60.7	171.9	0	0	0	111	V496 A499 S500 K502 E506 N507 I510 N511 Y521	V496-I504 HydrophobicContact CB-CD1 4.14Å; V496-I504 HydrophobicContact CG1-CD1 4.48Å; V496-I504 HydrophobicContact CG1-CG1 4.37Å; A499-I504 HydrophobicContact CB-CD1 4.2Å; A499-I504 HydrophobicContact CB-CG1 3.75Å; S500-I504 WeakPolarHBondContact O-CG1 3.25Å; S500-I504 PolarHBondContact O-N 2.98Å; K502-I504 VanDerWaalsContact C-N 3.28Å; K502-I504 PolarHBondContact O-N 3.31Å; I504-E506 VanDerWaalsContact C-N 3.25Å; I504-E506 PolarHBondContact O-N 3.16Å; I504-N507 PolarHBondContact O-N 3.28Å; I504-I510 HydrophobicContact CG2-CG2 4.18Å; I504-N511 PolarHBondContact O-ND2 3.4Å; I504-Y521 WeakPolarHBondContact CG2-OH 3.48Å
505	M	76.5	Confident	84.7	Confident	32 Å²	32	42.9 Å²	42.9	16%	0.158	22%	0.22	C	C	.	.	H	α-helix	trans	-66.2	-24.3	178	-72.7	-173.5	-71.8	0	0	113.5	K425 M426 Q429 N501 K502 N511	K425-M505 HydrophobicContact CD-CE 4.25Å; K425-M505 HydrophobicContact CD-SD 3.96Å; K425-M505 HydrophobicContact CG-SD 4.07Å; M426-M505 HydrophobicContact CG-CG 3.95Å; M426-M505 HydrophobicContact CG-SD 4Å; Q429-M505 PolarHBondContact NE2-O 3.28Å; Q429-M505 VanDerWaalsContact NE2-O 3.09Å; Q429-M505 VanDerWaalsContact OE1-CG 3.23Å; N501-M505 HydrophobicContact CB-CE 4.29Å; N501-M505 WeakPolarHBondContact O-CB 2.75Å; N501-M505 VanDerWaalsContact O-CE 3.25Å; N501-M505 WeakPolarHBondContact O-CE 3.36Å; N501-M505 WeakPolarHBondContact O-CG 3.43Å; N501-M505 PolarHBondContact O-N 3.07Å; K502-M505 PolarHBondContact O-N 3.07Å; K502-M505 VanDerWaalsContact O-N 3.15Å; M505-N511 PolarHBondContact O-ND2 2.81Å
506	E	83	Confident	84.7	Confident	124 Å²	124	41 Å²	41	58%	0.579	21%	0.21	S	C	*	.	H	α-helix	trans	-94	-22.2	-179.9	-72.6	168.1	179.5	0	0	113.3	K502 Q503 I504 A508	K502-E506 WeakPolarHBondContact CE-OE1 3.37Å; K502-E506 WeakPolarHBondContact CE-OE2 3.28Å; K502-E506 VanDerWaalsContact CG-OE1 3.31Å; K502-E506 WeakPolarHBondContact CG-OE1 3.42Å; K502-E506 WeakPolarHBondContact CG-OE2 3.15Å; K502-E506 IonicContact NZ-OE1 2.83Å; K502-E506 WeakPolarHBondContact O-CB 3.39Å; K502-E506 WeakPolarHBondContact O-CG 3.3Å; K502-E506 PolarHBondContact O-N 3.24Å; Q503-E506 PolarHBondContact O-N 3.44Å; I504-E506 VanDerWaalsContact C-N 3.25Å; I504-E506 PolarHBondContact O-N 3.16Å; E506-A508 PolarHBondContact O-N 3.08Å
507	N	86.5	Confident	84.9	Confident	42 Å²	42	41 Å²	41	23%	0.225	21%	0.209	C	C	.	.			trans	-67.8	114.5	177.8	-175.1	-68.3	0	0	0	111.4	L494 Q503 I504 E509 I510 N511	L494-N507 HydrophobicContact CD2-CB 4.24Å; Q503-N507 VanDerWaalsContact O-CB 3.3Å; Q503-N507 WeakPolarHBondContact O-CB 3.5Å; Q503-N507 PolarHBondContact O-N 2.82Å; I504-N507 PolarHBondContact O-N 3.28Å; N507-E509 PolarHBondContact O-N 2.74Å; N507-E509 PolarHBondContact OD1-N 2.78Å; N507-I510 HydrophobicContact CB-CB 4.37Å; N507-I510 HydrophobicContact CB-CD1 4.06Å; N507-I510 HydrophobicContact CB-CG1 4.5Å; N507-I510 PolarHBondContact OD1-N 3.48Å; N507-N511 WeakPolarHBondContact O-CB 3.39Å; N507-N511 PolarHBondContact O-N 3.36Å; N507-N511 VanDerWaalsContact O-N 3.17Å; N507-N511 PolarHBondContact O-ND2 3.37Å
508	A	87.6	Confident	84.9	Confident	56 Å²	56	39.2 Å²	39.2	46%	0.463	21%	0.207	S	C	.	.	H	α-helix	trans	-65.7	-33.7	-175.9	0	0	0	0	0	113.9	E506 A512	E506-A508 PolarHBondContact O-N 3.08Å; A508-A512 WeakPolarHBondContact O-CB 3.37Å; A508-A512 PolarHBondContact O-N 3.04Å
509	E	89.8	Confident	85.3	Confident	26 Å²	26	36.1 Å²	36.1	12%	0.121	19%	0.193	C	C	.	.	H	α-helix	trans	-72.8	-46.2	-176.6	-57.1	-65.1	92.3	0	0	111.1	R490 N507 N511 A512 L513	R490-E509 WeakPolarHBondContact CG-OE2 3.37Å; R490-E509 IonicContact CZ-OE1 2.7Å; R490-E509 PolarHBondContact N-OE2 2.95Å; R490-E509 IonicContact NE-OE1 3.61Å; R490-E509 PolarHBondContact NE-OE1 3.42Å; R490-E509 IonicContact NE-OE2 3.71Å; R490-E509 IonicContact NH2-OE1 3.5Å; R490-E509 PolarHBondContact NH2-OE1 2.74Å; N507-E509 PolarHBondContact O-N 2.74Å; N507-E509 PolarHBondContact OD1-N 2.78Å; E509-N511 VanDerWaalsContact C-N 3.33Å; E509-N511 PolarHBondContact O-N 3.05Å; E509-A512 WeakPolarHBondContact O-CB 3.38Å; E509-A512 PolarHBondContact O-N 3.09Å; E509-A512 VanDerWaalsContact O-N 3.09Å; E509-L513 WeakPolarHBondContact O-CG 3.4Å; E509-L513 PolarHBondContact O-N 3.23Å
510	I	89.8	Confident	85.4	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-45.2	173.8	-69.2	164.4	0	0	0	110.2	L493 L494 V496 I504 N507 A512 L513 I514 F559	L493-I510 HydrophobicContact CD1-CG1 3.97Å; L494-I510 HydrophobicContact CB-CD1 3.96Å; L494-I510 HydrophobicContact CD2-CD1 4.16Å; L494-I510 HydrophobicContact CG-CD1 4.42Å; V496-I510 HydrophobicContact CG1-CD1 3.48Å; V496-I510 VanDerWaalsContact CG1-CD1 3.48Å; V496-I510 HydrophobicContact CG1-CG1 4.4Å; I504-I510 HydrophobicContact CG2-CG2 4.18Å; N507-I510 HydrophobicContact CB-CB 4.37Å; N507-I510 HydrophobicContact CB-CD1 4.06Å; N507-I510 HydrophobicContact CB-CG1 4.5Å; N507-I510 PolarHBondContact OD1-N 3.48Å; I510-A512 VanDerWaalsContact C-N 3.26Å; I510-A512 PolarHBondContact O-N 2.92Å; I510-L513 PolarHBondContact O-N 3.49Å; I510-I514 HydrophobicContact CG2-CD1 3.64Å; I510-I514 HydrophobicContact CG2-CG1 4.35Å; I510-I514 WeakPolarHBondContact O-CB 3.45Å; I510-I514 VanDerWaalsContact O-CG1 3.26Å; I510-I514 WeakPolarHBondContact O-CG1 3.39Å; I510-I514 PolarHBondContact O-N 2.93Å; I510-F559 HydrophobicContact CG2-CE2 3.83Å; I510-F559 HydrophobicContact CG2-CZ 4.42Å
511	N	87.6	Confident	85.6	Confident	22 Å²	22	36.4 Å²	36.4	12%	0.118	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-33.3	174.7	-87.1	-77.1	0	0	0	113	I504 M505 N507 E509 K515	I504-N511 PolarHBondContact O-ND2 3.4Å; M505-N511 PolarHBondContact O-ND2 2.81Å; N507-N511 WeakPolarHBondContact O-CB 3.39Å; N507-N511 PolarHBondContact O-N 3.36Å; N507-N511 VanDerWaalsContact O-N 3.17Å; N507-N511 PolarHBondContact O-ND2 3.37Å; E509-N511 VanDerWaalsContact C-N 3.33Å; E509-N511 PolarHBondContact O-N 3.05Å; N511-K515 WeakPolarHBondContact O-CD 3.41Å; N511-K515 WeakPolarHBondContact O-CG 3.5Å; N511-K515 PolarHBondContact O-N 2.86Å
512	A	90	Very high	85.7	Confident	12 Å²	12	38.4 Å²	38.4	10%	0.099	19%	0.193	C	C	.	.	H	α-helix	trans	-69.6	-54.1	173.7	0	0	0	0	0	110.7	I441 F487 A508 E509 I510 I514 K515 I516	I441-A512 HydrophobicContact CD1-CB 4.2Å; I441-A512 HydrophobicContact CG2-CB 4.35Å; F487-A512 HydrophobicContact CE1-CB 4.31Å; F487-A512 HydrophobicContact CE2-CB 4.36Å; F487-A512 HydrophobicContact CZ-CB 3.73Å; A508-A512 WeakPolarHBondContact O-CB 3.37Å; A508-A512 PolarHBondContact O-N 3.04Å; E509-A512 WeakPolarHBondContact O-CB 3.38Å; E509-A512 PolarHBondContact O-N 3.09Å; E509-A512 VanDerWaalsContact O-N 3.09Å; I510-A512 VanDerWaalsContact C-N 3.26Å; I510-A512 PolarHBondContact O-N 2.92Å; A512-I514 VanDerWaalsContact C-N 3.32Å; A512-I514 PolarHBondContact O-N 3.21Å; A512-K515 PolarHBondContact O-N 3.01Å; A512-I516 HydrophobicContact CB-CD1 4.28Å; A512-I516 WeakPolarHBondContact O-CD1 3.4Å; A512-I516 WeakPolarHBondContact O-CG1 2.82Å; A512-I516 PolarHBondContact O-N 3.27Å
513	L	91.8	Very high	86	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.016	18%	0.178	C	C	.	.	H	α-helix	trans	-52.8	-46	180	-69.9	172.9	0	0	0	112.6	L462 F487 L489 L493 E509 I510 K515 I516 L517 F559	L462-L513 HydrophobicContact CD1-CD2 4.03Å; L462-L513 HydrophobicContact CD2-CD2 3.47Å; L462-L513 VanDerWaalsContact CD2-CD2 3.47Å; L462-L513 HydrophobicContact CG-CD2 4.43Å; F487-L513 HydrophobicContact CD1-CD2 3.83Å; F487-L513 HydrophobicContact CE1-CD2 4.08Å; F487-L513 HydrophobicContact CE1-CG 4.41Å; L489-L513 HydrophobicContact CD2-CD1 4.08Å; L489-L513 HydrophobicContact CD2-CD2 4.16Å; L489-L513 HydrophobicContact CD2-CG 4.44Å; L493-L513 HydrophobicContact CD1-CD1 4.07Å; L493-L513 HydrophobicContact CD2-CD1 4.44Å; E509-L513 WeakPolarHBondContact O-CG 3.4Å; E509-L513 PolarHBondContact O-N 3.23Å; I510-L513 PolarHBondContact O-N 3.49Å; L513-K515 VanDerWaalsContact C-N 3.31Å; L513-K515 PolarHBondContact O-N 3.28Å; L513-I516 PolarHBondContact O-N 3.32Å; L513-L517 WeakPolarHBondContact O-CB 3.26Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 2.89Å; L513-F559 HydrophobicContact CB-CE1 4.46Å; L513-F559 HydrophobicContact CD1-CE1 4.43Å
514	I	89.4	Confident	86	Confident	7 Å²	7	36.2 Å²	36.2	4%	0.036	18%	0.184	C	C	.	.	H	α-helix	trans	-58.6	-42.4	177.7	-70.2	170.8	0	0	0	111.3	I510 A512 G518 L519 Y521 F559 W564	I510-I514 HydrophobicContact CG2-CD1 3.64Å; I510-I514 HydrophobicContact CG2-CG1 4.35Å; I510-I514 WeakPolarHBondContact O-CB 3.45Å; I510-I514 VanDerWaalsContact O-CG1 3.26Å; I510-I514 WeakPolarHBondContact O-CG1 3.39Å; I510-I514 PolarHBondContact O-N 2.93Å; A512-I514 VanDerWaalsContact C-N 3.32Å; A512-I514 PolarHBondContact O-N 3.21Å; I514-G518 PolarHBondContact O-N 3.44Å; I514-L519 HydrophobicContact CG2-CB 4.18Å; I514-L519 WeakPolarHBondContact CG2-O 3.49Å; I514-L519 PolarHBondContact O-N 3.34Å; I514-Y521 HydrophobicContact CD1-CE2 3.77Å; I514-Y521 VanDerWaalsContact CD1-OH 3.26Å; I514-Y521 WeakPolarHBondContact CD1-OH 3.3Å; I514-F559 HydrophobicContact CG1-CZ 4.04Å; I514-W564 HydrophobicContact CD1-CH2 4.13Å; I514-W564 HydrophobicContact CG1-CH2 4Å
515	K	88.2	Confident	86.1	Confident	71 Å²	71	35.8 Å²	35.8	31%	0.309	18%	0.181	S	C	.	.	H	α-helix	trans	-73.2	-38.8	178.7	-66.1	173.6	-174.4	172.6	0	112.4	L438 I441 N511 A512 L513 G518	L438-K515 WeakPolarHBondContact CD1-O 3.31Å; I441-K515 HydrophobicContact CD1-CB 4.1Å; N511-K515 WeakPolarHBondContact O-CD 3.41Å; N511-K515 WeakPolarHBondContact O-CG 3.5Å; N511-K515 PolarHBondContact O-N 2.86Å; A512-K515 PolarHBondContact O-N 3.01Å; L513-K515 VanDerWaalsContact C-N 3.31Å; L513-K515 PolarHBondContact O-N 3.28Å; K515-G518 PolarHBondContact O-N 3Å
516	I	91.8	Very high	86.4	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-49.4	178.3	-62.8	159.6	0	0	0	110.2	L438 I441 L444 L460 F487 A512 L513 R535 Y536	L438-I516 HydrophobicContact CD1-CB 4.49Å; L438-I516 HydrophobicContact CD1-CG1 4.37Å; I441-I516 HydrophobicContact CD1-CD1 4.41Å; I441-I516 HydrophobicContact CD1-CG1 3.85Å; I441-I516 HydrophobicContact CG2-CD1 4.39Å; L444-I516 HydrophobicContact CD1-CD1 4.12Å; L444-I516 HydrophobicContact CD1-CG1 4.08Å; L444-I516 HydrophobicContact CD1-CG2 3.71Å; L444-I516 HydrophobicContact CD2-CG1 4.06Å; L444-I516 HydrophobicContact CD2-CG2 4.39Å; L460-I516 HydrophobicContact CD1-CG2 3.71Å; L460-I516 HydrophobicContact CD2-CB 4.38Å; L460-I516 HydrophobicContact CD2-CG2 3.53Å; L460-I516 HydrophobicContact CG-CG2 4.25Å; F487-I516 HydrophobicContact CB-CD1 4.1Å; F487-I516 HydrophobicContact CD1-CD1 3.76Å; F487-I516 HydrophobicContact CD2-CD1 3.52Å; F487-I516 HydrophobicContact CE1-CD1 4.04Å; F487-I516 HydrophobicContact CE2-CD1 3.83Å; F487-I516 HydrophobicContact CG-CD1 3.49Å; F487-I516 VanDerWaalsContact CG-CD1 3.49Å; F487-I516 HydrophobicContact CZ-CD1 4.08Å; A512-I516 HydrophobicContact CB-CD1 4.28Å; A512-I516 WeakPolarHBondContact O-CD1 3.4Å; A512-I516 WeakPolarHBondContact O-CG1 2.82Å; A512-I516 PolarHBondContact O-N 3.27Å; L513-I516 PolarHBondContact O-N 3.32Å; I516-R535 WeakPolarHBondContact O-CB 3.38Å; I516-R535 WeakPolarHBondContact O-CG 3.35Å; I516-R535 PolarHBondContact O-NE 3.4Å; I516-Y536 HydrophobicContact CG2-CD2 4.3Å; I516-Y536 HydrophobicContact CG2-CE2 3.82Å
517	L	91.3	Very high	86.3	Confident	7 Å²	7	36.1 Å²	36.1	4%	0.037	19%	0.188	C	C	.	.	H	α-helix	trans	-78.9	-19.8	-177.4	-64.5	169.9	0	0	0	113.6	L460 L513 L519 R535 Y536 I539	L460-L517 HydrophobicContact CB-CD2 4.24Å; L460-L517 HydrophobicContact CD2-CD2 3.61Å; L460-L517 HydrophobicContact CD2-CG 4.04Å; L513-L517 WeakPolarHBondContact O-CB 3.26Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 2.89Å; L517-L519 HydrophobicContact CB-CD1 3.78Å; L517-L519 HydrophobicContact CB-CG 3.83Å; L517-L519 HydrophobicContact CD1-CD1 3.65Å; L517-L519 HydrophobicContact CG-CD1 4.37Å; L517-R535 WeakPolarHBondContact O-CB 3.1Å; L517-R535 PolarHBondContact O-N 3.25Å; L517-Y536 HydrophobicContact CD2-CD2 4.48Å; L517-I539 HydrophobicContact CD1-CD1 3.7Å; L517-I539 HydrophobicContact CD1-CG1 4.3Å; L517-I539 HydrophobicContact CD2-CD1 4.15Å; L517-I539 HydrophobicContact CD2-CG1 3.84Å
518	G	87.9	Confident	86	Confident	15 Å²	15	37.3 Å²	37.3	16%	0.155	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	29.8	-176.9	0	0	0	0	0	113.2	I514 K515 Y525	I514-G518 PolarHBondContact O-N 3.44Å; K515-G518 PolarHBondContact O-N 3Å; G518-Y525 PolarHBondContact O-OH 3.04Å
519	L	88.6	Confident	85.6	Confident	6 Å²	6	39.6 Å²	39.6	3%	0.031	21%	0.208	C	C	.	.			trans	-76.5	143.6	-176.2	-70.5	163.6	0	0	0	111.9	C430 I514 L517 Y525 L534 W564 L567	C430-L519 PolarHBondContact SG-O 2.88Å; I514-L519 HydrophobicContact CG2-CB 4.18Å; I514-L519 WeakPolarHBondContact CG2-O 3.49Å; I514-L519 PolarHBondContact O-N 3.34Å; L517-L519 HydrophobicContact CB-CD1 3.78Å; L517-L519 HydrophobicContact CB-CG 3.83Å; L517-L519 HydrophobicContact CD1-CD1 3.65Å; L517-L519 HydrophobicContact CG-CD1 4.37Å; L519-Y525 WeakPolarHBondContact CA-OH 3.21Å; L519-Y525 HydrophobicContact CD2-CE2 3.95Å; L519-L534 HydrophobicContact CD2-CD2 3.72Å; L519-L534 HydrophobicContact CG-CD2 4.34Å; L519-W564 HydrophobicContact CB-CH2 3.88Å; L519-W564 HydrophobicContact CB-CZ2 3.88Å; L519-W564 HydrophobicContact CB-CZ3 4.25Å; L519-W564 HydrophobicContact CD1-CE3 3.97Å; L519-W564 HydrophobicContact CD1-CH2 4.18Å; L519-W564 HydrophobicContact CD1-CZ3 3.72Å; L519-W564 HydrophobicContact CD2-CD2 4.04Å; L519-W564 HydrophobicContact CD2-CE3 4.1Å; L519-W564 HydrophobicContact CG-CE3 4.46Å; L519-W564 HydrophobicContact CG-CZ3 4.38Å; L519-L567 HydrophobicContact CD2-CD1 3.63Å
520	Q	83	Confident	85.2	Confident	34 Å²	34	39.8 Å²	39.8	16%	0.159	21%	0.211	C	C	.	.			trans	-131.3	126.1	178.4	-62.9	-176.4	1.5	0	0	110.4	C430 H431 K432 K522 L523 Y525 W564	C430-Q520 HydrophobicContact CB-CG 4.24Å; H431-Q520 PolarHBondContact O-NE2 3.19Å; K432-Q520 PolarHBondContact O-NE2 2.58Å; Q520-K522 PolarHBondContact O-N 3.28Å; Q520-L523 HydrophobicContact CB-CB 4.43Å; Q520-L523 HydrophobicContact CB-CD1 4.13Å; Q520-L523 HydrophobicContact CB-CG 4.1Å; Q520-L523 HydrophobicContact CG-CD1 4.43Å; Q520-L523 PolarHBondContact O-N 3Å; Q520-L523 VanDerWaalsContact O-N 3.11Å; Q520-Y525 PolarHBondContact N-OH 2.63Å; Q520-W564 PolarHBondContact O-NE1 3.18Å
521	Y	80.6	Confident	84.9	Confident	26 Å²	26	41.7 Å²	41.7	10%	0.102	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.4	-177	-78.2	-76.5	0	0	0	115	M423 M426 I504 I514 N563 W564	M423-Y521 WeakPolarHBondContact CE-O 3.42Å; M426-Y521 HydrophobicContact CB-CD2 3.61Å; M426-Y521 HydrophobicContact CB-CE2 3.85Å; M426-Y521 HydrophobicContact CB-CG 4.18Å; M426-Y521 HydrophobicContact CE-CD1 4.23Å; M426-Y521 HydrophobicContact CE-CE1 4.49Å; M426-Y521 HydrophobicContact CE-CG 4.37Å; I504-Y521 WeakPolarHBondContact CG2-OH 3.48Å; I514-Y521 HydrophobicContact CD1-CE2 3.77Å; I514-Y521 VanDerWaalsContact CD1-OH 3.26Å; I514-Y521 WeakPolarHBondContact CD1-OH 3.3Å; Y521-N563 WeakPolarHBondContact CE1-OD1 3.43Å; Y521-W564 HydrophobicContact CD1-CH2 4.3Å; Y521-W564 AromaticContact CD1-CZ2 3.85Å; Y521-W564 HydrophobicContact CD1-CZ2 3.85Å; Y521-W564 HydrophobicContact CE1-CH2 4.02Å; Y521-W564 HydrophobicContact CE1-CZ2 4.05Å; Y521-W564 HydrophobicContact CG-CZ2 4.12Å
522	K	75.6	Confident	84.8	Confident	86 Å²	86	46.6 Å²	46.6	37%	0.374	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-17	177.1	-67.8	176.9	-174.1	155.3	0	114.3	D427 Q520	D427-K522 HydrophobicContact CB-CD 4.19Å; D427-K522 HydrophobicContact CB-CG 4.29Å; D427-K522 WeakPolarHBondContact OD2-CD 3.42Å; D427-K522 VanDerWaalsContact OD2-CE 3.25Å; D427-K522 WeakPolarHBondContact OD2-CE 3.24Å; D427-K522 IonicContact OD2-NZ 2.72Å; D427-K522 PolarHBondContact OD2-NZ 3.14Å; Q520-K522 PolarHBondContact O-N 3.28Å
523	L	81.4	Confident	84.5	Confident	44 Å²	44	49.8 Å²	49.8	23%	0.23	26%	0.257	C	S	.	.			trans	-89	129.5	179.4	-66.1	-178	0	0	0	109.7	Q520 Y525	Q520-L523 HydrophobicContact CB-CB 4.43Å; Q520-L523 HydrophobicContact CB-CD1 4.13Å; Q520-L523 HydrophobicContact CB-CG 4.1Å; Q520-L523 HydrophobicContact CG-CD1 4.43Å; Q520-L523 PolarHBondContact O-N 3Å; Q520-L523 VanDerWaalsContact O-N 3.11Å; L523-Y525 HydrophobicContact CB-CD2 4.14Å; L523-Y525 HydrophobicContact CB-CE1 4.19Å; L523-Y525 HydrophobicContact CB-CE2 3.68Å; L523-Y525 HydrophobicContact CD1-CE1 4.09Å; L523-Y525 WeakPolarHBondContact O-CD2 3.36Å; L523-Y525 WeakPolarHBondContact O-CE2 3.05Å
524	K	81.9	Confident	84.4	Confident	137 Å²	137	50 Å²	50	60%	0.596	26%	0.258	S	S	*	.			trans	-87	-7.1	177.7	-68	-167.5	-179.8	-177	0	114.6	E526 N566	K524-E526 VanDerWaalsContact C-N 3.33Å; K524-E526 HydrophobicContact CB-CG 3.91Å; K524-E526 WeakPolarHBondContact CD-OE1 3.38Å; K524-E526 IonicContact NZ-OE1 2.69Å; K524-E526 PolarHBondContact O-N 2.86Å; K524-N566 WeakPolarHBondContact O-CB 3.41Å; K524-N566 PolarHBondContact O-ND2 2.98Å
525	Y	85.8	Confident	84.6	Confident	1 Å²	1	49.8 Å²	49.8	0%	0.004	26%	0.257	C	S	.	.			trans	47.3	49.4	-177.5	-59	-80.3	0	0	0	114	G518 L519 Q520 L523 T530 L531 L534 W564 L567 H570	G518-Y525 PolarHBondContact O-OH 3.04Å; L519-Y525 WeakPolarHBondContact CA-OH 3.21Å; L519-Y525 HydrophobicContact CD2-CE2 3.95Å; Q520-Y525 PolarHBondContact N-OH 2.63Å; L523-Y525 HydrophobicContact CB-CD2 4.14Å; L523-Y525 HydrophobicContact CB-CE1 4.19Å; L523-Y525 HydrophobicContact CB-CE2 3.68Å; L523-Y525 HydrophobicContact CD1-CE1 4.09Å; L523-Y525 WeakPolarHBondContact O-CD2 3.36Å; L523-Y525 WeakPolarHBondContact O-CE2 3.05Å; Y525-T530 WeakPolarHBondContact CA-OG1 3.3Å; Y525-T530 WeakPolarHBondContact CD1-O 3.38Å; Y525-T530 WeakPolarHBondContact CE1-O 3.45Å; Y525-L531 HydrophobicContact CD1-CD2 4.42Å; Y525-L534 HydrophobicContact CD1-CD1 4.39Å; Y525-L534 HydrophobicContact CD1-CD2 4.17Å; Y525-L534 HydrophobicContact CD1-CG 4.23Å; Y525-L534 HydrophobicContact CE1-CD1 4.5Å; Y525-L534 HydrophobicContact CE1-CD2 3.51Å; Y525-L534 HydrophobicContact CE1-CG 3.88Å; Y525-W564 HydrophobicContact CD2-CB 4.38Å; Y525-W564 AromaticContact CD2-CD1 3.57Å; Y525-W564 HydrophobicContact CD2-CG 4.07Å; Y525-W564 AromaticContact CE2-CD1 3.58Å; Y525-W564 HydrophobicContact CE2-CG 4.21Å; Y525-W564 AromaticContact CE2-NE1 3.73Å; Y525-L567 VanDerWaalsContact CB-CD2 3.44Å; Y525-L567 HydrophobicContact CD1-CD2 4.26Å; Y525-L567 HydrophobicContact CD2-CD1 4.24Å; Y525-L567 HydrophobicContact CD2-CD2 4.26Å; Y525-L567 HydrophobicContact CD2-CG 4.28Å; Y525-L567 HydrophobicContact CG-CD2 3.73Å; Y525-L567 HydrophobicContact CG-CG 4.21Å; Y525-H570 PolarHBondContact O-CD2 3.44Å
526	E	82.3	Confident	84.8	Confident	114 Å²	114	46.6 Å²	46.6	53%	0.533	24%	0.243	S	C	.	.			trans	-89.4	-15.4	-179.4	-71.7	171.6	-178.4	0	0	113.4	K524 N566	K524-E526 VanDerWaalsContact C-N 3.33Å; K524-E526 HydrophobicContact CB-CG 3.91Å; K524-E526 WeakPolarHBondContact CD-OE1 3.38Å; K524-E526 IonicContact NZ-OE1 2.69Å; K524-E526 PolarHBondContact O-N 2.86Å; E526-N566 HydrophobicContact CG-CB 4.45Å; E526-N566 WeakPolarHBondContact CG-ND2 3.36Å
527	S	81.7	Confident	84.8	Confident	49 Å²	49	47.6 Å²	47.6	34%	0.343	25%	0.253	S	S	.	.	S	Bend	trans	-126.8	151.1	-173.8	82	0	0	0	0	113.1	D529 T530 L531	S527-D529 PolarHBondContact O-N 2.69Å; S527-D529 VanDerWaalsContact O-N 3.08Å; S527-D529 PolarHBondContact OG-N 2.93Å; S527-T530 PolarHBondContact N-OG1 2.89Å; S527-T530 VanDerWaalsContact N-OG1 3.13Å; S527-T530 PolarHBondContact O-N 2.83Å; S527-T530 PolarHBondContact O-OG1 3.25Å; S527-T530 PolarHBondContact OG-N 3.21Å; S527-T530 PolarHBondContact OG-OG1 3.03Å; S527-L531 PolarHBondContact O-N 2.85Å; S527-L531 VanDerWaalsContact O-N 3.11Å
528	A	79.3	Confident	84.9	Confident	67 Å²	67	50.1 Å²	50.1	55%	0.554	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-19.1	174.2	0	0	0	0	0	113.7	K532	A528-K532 WeakPolarHBondContact O-CE 3.26Å; A528-K532 WeakPolarHBondContact O-CG 3.08Å
529	D	80.8	Confident	85.3	Confident	104 Å²	104	49.8 Å²	49.8	56%	0.556	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-46.9	170.7	-66.8	-52.4	0	0	0	111.7	S527 L531 K532	S527-D529 PolarHBondContact O-N 2.69Å; S527-D529 VanDerWaalsContact O-N 3.08Å; S527-D529 PolarHBondContact OG-N 2.93Å; D529-L531 PolarHBondContact O-N 3.26Å; D529-K532 VanDerWaalsContact O-CB 3.3Å; D529-K532 WeakPolarHBondContact O-CB 3.48Å; D529-K532 PolarHBondContact O-N 2.96Å; D529-K532 IonicContact OD1-NZ 3.86Å; D529-K532 PolarHBondContact OD1-NZ 2.94Å
530	T	80.5	Confident	85.6	Confident	31 Å²	31	49.5 Å²	49.5	19%	0.19	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-62.9	-25.1	176.2	49.7	0	0	0	0	113.5	Y525 S527 K532	Y525-T530 WeakPolarHBondContact CA-OG1 3.3Å; Y525-T530 WeakPolarHBondContact CD1-O 3.38Å; Y525-T530 WeakPolarHBondContact CE1-O 3.45Å; S527-T530 PolarHBondContact N-OG1 2.89Å; S527-T530 VanDerWaalsContact N-OG1 3.13Å; S527-T530 PolarHBondContact O-N 2.83Å; S527-T530 PolarHBondContact O-OG1 3.25Å; S527-T530 PolarHBondContact OG-N 3.21Å; S527-T530 PolarHBondContact OG-OG1 3.03Å; T530-K532 VanDerWaalsContact C-N 3.28Å; T530-K532 PolarHBondContact O-N 3.43Å
531	L	84.2	Confident	86.2	Confident	40 Å²	40	48 Å²	48	21%	0.209	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-70.6	-20.5	171.9	-64.3	176.4	0	0	0	113.3	Y525 S527 D529 D533 L534 L567 H570	Y525-L531 HydrophobicContact CD1-CD2 4.42Å; S527-L531 PolarHBondContact O-N 2.85Å; S527-L531 VanDerWaalsContact O-N 3.11Å; D529-L531 PolarHBondContact O-N 3.26Å; L531-D533 VanDerWaalsContact C-N 3.28Å; L531-D533 PolarHBondContact O-N 3.26Å; L531-L534 HydrophobicContact CD2-CD1 3.88Å; L531-L534 WeakPolarHBondContact O-CB 3.08Å; L531-L534 PolarHBondContact O-N 3.33Å; L531-L567 HydrophobicContact CD2-CD2 3.62Å; L531-H570 HydrophobicContact CD1-CB 4.22Å
532	K	84.2	Confident	86.8	Confident	125 Å²	125	46.7 Å²	46.7	54%	0.543	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-73.1	-21	178.6	-64.5	165.5	-169.5	169.1	0	112.7	K434 A528 D529 T530 L534	K434-K532 PolarHBondContact NZ-O 2.98Å; A528-K532 WeakPolarHBondContact O-CE 3.26Å; A528-K532 WeakPolarHBondContact O-CG 3.08Å; D529-K532 VanDerWaalsContact O-CB 3.3Å; D529-K532 WeakPolarHBondContact O-CB 3.48Å; D529-K532 PolarHBondContact O-N 2.96Å; D529-K532 IonicContact OD1-NZ 3.86Å; D529-K532 PolarHBondContact OD1-NZ 2.94Å; T530-K532 VanDerWaalsContact C-N 3.28Å; T530-K532 PolarHBondContact O-N 3.43Å; K532-L534 VanDerWaalsContact C-N 3.28Å
533	D	84.2	Confident	87.5	Confident	78 Å²	78	42.7 Å²	42.7	42%	0.417	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-73	-23.7	176.2	-65.9	-43.3	0	0	0	112.2	L531	L531-D533 VanDerWaalsContact C-N 3.28Å; L531-D533 PolarHBondContact O-N 3.26Å
534	L	90.3	Very high	87.8	Confident	8 Å²	8	42.4 Å²	42.4	4%	0.042	23%	0.226	C	C	.	.	S	Bend	trans	-62.5	142	175.7	-61.2	175.8	0	0	0	111.6	K434 S455 L519 Y525 L531 K532 Y536 L567	K434-L534 WeakPolarHBondContact CE-O 3.44Å; K434-L534 PolarHBondContact NZ-O 2.81Å; K434-L534 VanDerWaalsContact NZ-O 3.1Å; S455-L534 VanDerWaalsContact CB-O 3.28Å; S455-L534 WeakPolarHBondContact CB-O 3.22Å; L519-L534 HydrophobicContact CD2-CD2 3.72Å; L519-L534 HydrophobicContact CG-CD2 4.34Å; Y525-L534 HydrophobicContact CD1-CD1 4.39Å; Y525-L534 HydrophobicContact CD1-CD2 4.17Å; Y525-L534 HydrophobicContact CD1-CG 4.23Å; Y525-L534 HydrophobicContact CE1-CD1 4.5Å; Y525-L534 HydrophobicContact CE1-CD2 3.51Å; Y525-L534 HydrophobicContact CE1-CG 3.88Å; L531-L534 HydrophobicContact CD2-CD1 3.88Å; L531-L534 WeakPolarHBondContact O-CB 3.08Å; L531-L534 PolarHBondContact O-N 3.33Å; K532-L534 VanDerWaalsContact C-N 3.28Å; L534-Y536 WeakPolarHBondContact CB-O 3.24Å; L534-L567 HydrophobicContact CD1-CD2 4.01Å
535	R	92.9	Very high	87.9	Confident	3 Å²	3	37 Å²	37	1%	0.011	20%	0.203	C	C	.	.	S	Bend	trans	-73.3	-29.3	178.2	-69.3	-103.5	-58.7	148.1	17	113	H435 S436 D446 A450 G451 S455 I516 L517	H435-R535 VanDerWaalsContact O-CD 3.26Å; H435-R535 WeakPolarHBondContact O-CD 3.19Å; H435-R535 PolarHBondContact O-NH1 3.45Å; S436-R535 VanDerWaalsContact C-NH1 3.31Å; S436-R535 PolarHBondContact O-NH1 3.41Å; D446-R535 IonicContact OD1-CZ 2.69Å; D446-R535 IonicContact OD1-NH2 2.95Å; D446-R535 PolarHBondContact OD1-NH2 2.74Å; D446-R535 IonicContact OD2-CZ 2.7Å; D446-R535 IonicContact OD2-NH1 3.6Å; D446-R535 IonicContact OD2-NH2 3.34Å; D446-R535 PolarHBondContact OD2-NH2 3.1Å; A450-R535 WeakPolarHBondContact CA-O 3.04Å; G451-R535 PolarHBondContact N-O 2.83Å; S455-R535 WeakPolarHBondContact CB-O 3.36Å; S455-R535 PolarHBondContact OG-O 3.15Å; I516-R535 WeakPolarHBondContact O-CB 3.38Å; I516-R535 WeakPolarHBondContact O-CG 3.35Å; I516-R535 PolarHBondContact O-NE 3.4Å; L517-R535 WeakPolarHBondContact O-CB 3.1Å; L517-R535 PolarHBondContact O-N 3.25Å
536	Y	93.1	Very high	87.7	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.016	21%	0.211	C	C	.	.			trans	-133.7	136.6	179.2	-70.7	-93.3	0	0	0	108.4	D446 A447 A450 S455 C458 T459 L460 I516 L517 L534	D446-Y536 PolarHBondContact OD1-OH 3.41Å; A447-Y536 HydrophobicContact CB-CE1 3.81Å; A447-Y536 PolarHBondContact N-OH 3.28Å; A450-Y536 HydrophobicContact CB-CD2 4.46Å; A450-Y536 HydrophobicContact CB-CE1 4.19Å; A450-Y536 HydrophobicContact CB-CE2 3.75Å; S455-Y536 CarbonylContact O-C 3.41Å; C458-Y536 HydrophobicContact CB-CD1 3.63Å; C458-Y536 HydrophobicContact CB-CE1 4.15Å; C458-Y536 HydrophobicContact CB-CG 4.35Å; T459-Y536 VanDerWaalsContact C-CD1 3.43Å; L460-Y536 HydrophobicContact CB-CD1 3.75Å; L460-Y536 HydrophobicContact CB-CD2 4.19Å; L460-Y536 HydrophobicContact CB-CE1 4.03Å; L460-Y536 HydrophobicContact CB-CE2 4.48Å; L460-Y536 HydrophobicContact CB-CG 3.83Å; L460-Y536 HydrophobicContact CD1-CE1 4.33Å; L460-Y536 HydrophobicContact CD1-CE2 4.26Å; L460-Y536 VanDerWaalsContact N-CD1 3.35Å; I516-Y536 HydrophobicContact CG2-CD2 4.3Å; I516-Y536 HydrophobicContact CG2-CE2 3.82Å; L517-Y536 HydrophobicContact CD2-CD2 4.48Å; L534-Y536 WeakPolarHBondContact CB-O 3.24Å
537	G	90.6	Very high	87.8	Confident	20 Å²	20	36.3 Å²	36.3	21%	0.206	20%	0.201	C	C	.	.	S	Bend	trans	-82.2	-16.4	177.1	0	0	0	0	0	113.3	S455 C458	S455-G537 PolarHBondContact O-N 3.36Å; C458-G537 PolarHBondContact O-N 3.33Å
538	K	94.1	Very high	88	Confident	61 Å²	61	34.9 Å²	34.9	27%	0.265	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	153.4	-179.1	-64.1	-168.9	176	-173.4	0	113	C458 T459 L460 V572 E574	C458-K538 PolarHBondContact O-N 3Å; T459-K538 WeakPolarHBondContact CA-O 3.47Å; T459-K538 HydrophobicContact CG2-CB 4.01Å; L460-K538 PolarHBondContact N-O 2.59Å; K538-V572 CarbonylContact C-O 3.44Å; K538-V572 WeakPolarHBondContact CA-O 3.29Å; K538-E574 HydrophobicContact CD-CG 4.3Å; K538-E574 VanDerWaalsContact CD-OE2 3.27Å; K538-E574 WeakPolarHBondContact CD-OE2 3.39Å; K538-E574 IonicContact NZ-OE1 3.89Å; K538-E574 PolarHBondContact NZ-OE1 3.07Å; K538-E574 IonicContact NZ-OE2 2.78Å; K538-E574 PolarHBondContact NZ-OE2 3.23Å
539	I	95.4	Very high	88.5	Confident	8 Å²	8	31.7 Å²	31.7	4%	0.041	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.1	169.2	-54.6	174.1	0	0	0	106.5	L460 L462 L517 V560 V572 V573 E574	L460-I539 CarbonylContact O-C 3.53Å; L460-I539 WeakPolarHBondContact O-CA 3.43Å; L462-I539 HydrophobicContact CD1-CG2 3.59Å; L462-I539 HydrophobicContact CG-CG2 3.92Å; L517-I539 HydrophobicContact CD1-CD1 3.7Å; L517-I539 HydrophobicContact CD1-CG1 4.3Å; L517-I539 HydrophobicContact CD2-CD1 4.15Å; L517-I539 HydrophobicContact CD2-CG1 3.84Å; I539-V560 HydrophobicContact CD1-CG2 4.34Å; I539-V572 HydrophobicContact CD1-CG1 4.4Å; I539-V572 HydrophobicContact CG1-CG1 4.19Å; I539-V572 PolarHBondContact N-O 3.49Å; I539-V573 CarbonylContact O-C 3.59Å; I539-V573 WeakPolarHBondContact O-CA 3.5Å; I539-E574 PolarHBondContact O-N 3.3Å
540	M	95.6	Very high	89	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.3	174.5	171.7	171.5	-84.4	0	0	108.2	T459 L460 I461 L462 E574 F576 M634 R638	T459-M540 HydrophobicContact CG2-CB 3.55Å; L460-M540 PolarHBondContact O-N 3.13Å; I461-M540 CarbonylContact C-O 3.47Å; I461-M540 VanDerWaalsContact CA-O 3.32Å; I461-M540 WeakPolarHBondContact CA-O 3.4Å; I461-M540 HydrophobicContact CD1-SD 4.29Å; I461-M540 HydrophobicContact CG1-CB 4.31Å; I461-M540 HydrophobicContact CG1-CG 4.42Å; I461-M540 HydrophobicContact CG1-SD 4.1Å; I461-M540 HydrophobicContact CG2-CG 4.45Å; L462-M540 PolarHBondContact N-O 3.29Å; M540-E574 CarbonylContact C-O 3.09Å; M540-E574 VanDerWaalsContact CA-O 3.31Å; M540-E574 WeakPolarHBondContact CA-O 3.41Å; M540-F576 HydrophobicContact CE-CD2 4.45Å; M540-F576 HydrophobicContact CG-CB 4.02Å; M540-F576 HydrophobicContact SD-CB 4.07Å; M540-F576 HydrophobicContact SD-CD2 4.01Å; M540-F576 HydrophobicContact SD-CG 4.48Å; M540-M634 HydrophobicContact CE-SD 4.01Å; M540-R638 HydrophobicContact CE-CB 4.35Å; M540-R638 HydrophobicContact CE-CG 3.82Å
541	I	95.4	Very high	89.6	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.9	177.8	-53.4	174.6	0	0	0	108.4	T543 K553 I556 V573 E574 E575 F576	I541-T543 HydrophobicContact CG2-CG2 3.83Å; I541-K553 HydrophobicContact CG2-CB 4.45Å; I541-K553 HydrophobicContact CG2-CG 3.83Å; I541-I556 HydrophobicContact CD1-CB 3.91Å; I541-I556 HydrophobicContact CD1-CD1 4.06Å; I541-I556 HydrophobicContact CD1-CG2 3.74Å; I541-I556 HydrophobicContact CG1-CD1 4.04Å; I541-I556 HydrophobicContact CG1-CG2 4.18Å; I541-I556 HydrophobicContact CG2-CD1 3.81Å; I541-V573 HydrophobicContact CD1-CG1 3.71Å; I541-V573 HydrophobicContact CG1-CG1 4.17Å; I541-E574 PolarHBondContact N-O 3.01Å; I541-E575 CarbonylContact O-C 3.52Å; I541-E575 WeakPolarHBondContact O-CA 3.38Å; I541-F576 PolarHBondContact O-N 2.78Å
542	M	93.1	Very high	90	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	77.3	-176.6	-176.3	171.6	174	0	0	109.1	I461 L462 T463 E464 L471 A472 F576 L619 F631	I461-M542 HydrophobicContact CG2-CB 3.71Å; I461-M542 HydrophobicContact CG2-CG 4.38Å; I461-M542 HydrophobicContact CG2-SD 3.81Å; L462-M542 PolarHBondContact O-N 3.46Å; T463-M542 WeakPolarHBondContact CA-O 3.42Å; T463-M542 HydrophobicContact CG2-CB 4.29Å; T463-M542 HydrophobicContact CG2-CG 4.49Å; T463-M542 HydrophobicContact CG2-SD 4.39Å; E464-M542 PolarHBondContact N-O 3.29Å; L471-M542 HydrophobicContact CB-CE 4.07Å; L471-M542 HydrophobicContact CD2-CE 3.7Å; L471-M542 HydrophobicContact CG-CE 4.11Å; A472-M542 HydrophobicContact CB-CE 4.21Å; A472-M542 HydrophobicContact CB-SD 3.79Å; M542-F576 HydrophobicContact CB-CB 4.09Å; M542-F576 HydrophobicContact CE-CD1 4Å; M542-F576 HydrophobicContact CE-CE1 4.05Å; M542-F576 HydrophobicContact CG-CB 4.11Å; M542-F576 HydrophobicContact CG-CD1 4.05Å; M542-F576 HydrophobicContact CG-CG 4.34Å; M542-F576 HydrophobicContact SD-CB 4.45Å; M542-F576 HydrophobicContact SD-CD1 3.99Å; M542-F576 HydrophobicContact SD-CE1 4.49Å; M542-F576 HydrophobicContact SD-CG 4.22Å; M542-L619 HydrophobicContact CE-CD1 4.21Å; M542-L619 HydrophobicContact CG-CD1 3.8Å; M542-F631 HydrophobicContact CE-CE2 4.06Å; M542-F631 HydrophobicContact CE-CZ 4.4Å; M542-F631 HydrophobicContact SD-CE2 4.35Å; M542-F631 HydrophobicContact SD-CZ 4.14Å
543	T	91.2	Very high	90.5	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.012	10%	0.103	C	C	.	.			trans	-95.2	168.3	175.9	58.3	0	0	0	0	110.7	E464 I541 Q545 I552 K553 L619	E464-T543 HydrophobicContact CB-CG2 4.5Å; E464-T543 VanDerWaalsContact OE2-CB 3.27Å; E464-T543 WeakPolarHBondContact OE2-CB 3.33Å; I541-T543 HydrophobicContact CG2-CG2 3.83Å; T543-Q545 PolarHBondContact O-NE2 3.27Å; T543-Q545 VanDerWaalsContact O-NE2 3.09Å; T543-I552 HydrophobicContact CG2-CB 3.87Å; T543-I552 HydrophobicContact CG2-CG2 3.68Å; T543-K553 HydrophobicContact CG2-CG 4.28Å; T543-K553 WeakPolarHBondContact OG1-CE 3.49Å; T543-L619 VanDerWaalsContact O-CD1 3.28Å; T543-L619 WeakPolarHBondContact O-CD1 3.37Å
544	D	86.8	Confident	91	Very high	38 Å²	38	16 Å²	16	20%	0.203	8%	0.083	C	C	.	.			trans	-58.6	155.4	163.8	-72.2	-1.9	0	0	0	109.8	E464 D546 G618 L619	E464-D544 PolarHBondContact OE2-N 2.88Å; D544-D546 PolarHBondContact O-N 2.87Å; D544-G618 VanDerWaalsContact CG-CA 3.48Å; D544-G618 WeakPolarHBondContact OD2-CA 3.49Å; D544-L619 WeakPolarHBondContact OD1-CB 3.41Å; D544-L619 VanDerWaalsContact OD1-CG 3.23Å; D544-L619 WeakPolarHBondContact OD1-CG 3.47Å; D544-L619 PolarHBondContact OD1-N 3.17Å
545	Q	83.5	Confident	91.2	Very high	24 Å²	24	16.1 Å²	16.1	11%	0.112	8%	0.084	C	C	.	.	S	Bend	trans	-95.5	40.6	-173.3	-61.2	-62.3	-77.6	0	0	110.9	T543 T578 I580 K617	T543-Q545 PolarHBondContact O-NE2 3.27Å; T543-Q545 VanDerWaalsContact O-NE2 3.09Å; Q545-T578 WeakPolarHBondContact CG-OG1 3.39Å; Q545-I580 HydrophobicContact CB-CG1 4.15Å; Q545-K617 PolarHBondContact N-O 3.09Å
546	D	82.9	Confident	91.2	Very high	34 Å²	34	16.1 Å²	16.1	18%	0.182	8%	0.084	C	C	.	.	S	Bend	trans	-113.1	-179.5	173.6	84.3	-20.2	0	0	0	110.4	D544 D548 G549 S550 H762	D544-D546 PolarHBondContact O-N 2.87Å; D546-D548 PolarHBondContact OD1-N 3.1Å; D546-D548 VanDerWaalsContact OD1-N 3.11Å; D546-G549 PolarHBondContact OD1-N 3.02Å; D546-S550 PolarHBondContact O-N 3.4Å; D546-S550 VanDerWaalsContact O-N 3.11Å; D546-S550 PolarHBondContact O-OG 3.21Å; D546-S550 VanDerWaalsContact O-OG 3.11Å; D546-H762 IonicContact OD2-NE2 3.65Å
547	Q	84.1	Confident	91.3	Very high	65 Å²	65	16 Å²	16	30%	0.304	8%	0.084	S	C	.	.	H	α-helix	trans	-71.1	-27.5	-179	-66.1	112.4	-32.7	0	0	113.8	S550 H551 L708 F709 L712	Q547-S550 WeakPolarHBondContact O-CB 3.45Å; Q547-S550 PolarHBondContact O-N 3.21Å; Q547-H551 PolarHBondContact O-N 3.42Å; Q547-L708 HydrophobicContact CG-CB 4.28Å; Q547-F709 HydrophobicContact CB-CB 4.05Å; Q547-F709 HydrophobicContact CB-CD2 4.25Å; Q547-F709 WeakPolarHBondContact O-CB 3.36Å; Q547-F709 WeakPolarHBondContact O-CD2 3.05Å; Q547-L712 HydrophobicContact CB-CD2 3.42Å; Q547-L712 VanDerWaalsContact CB-CD2 3.42Å; Q547-L712 HydrophobicContact CG-CD2 3.68Å
548	D	86.8	Confident	91.5	Very high	20 Å²	20	15 Å²	15	11%	0.107	7%	0.074	C	C	.	.	H	α-helix	trans	-71.7	-38.3	177.5	-79.5	-78.3	0	0	0	111.3	K492 D546 H551 I552 R716 H762	K492-D548 WeakPolarHBondContact CE-OD1 3.28Å; K492-D548 IonicContact NZ-OD1 2.74Å; K492-D548 PolarHBondContact NZ-OD1 3.42Å; D546-D548 PolarHBondContact OD1-N 3.1Å; D546-D548 VanDerWaalsContact OD1-N 3.11Å; D548-H551 WeakPolarHBondContact O-CB 3.43Å; D548-H551 PolarHBondContact O-N 2.82Å; D548-I552 PolarHBondContact O-N 3.34Å; D548-I552 VanDerWaalsContact O-N 3.1Å; D548-R716 IonicContact OD2-CZ 3.35Å; D548-R716 IonicContact OD2-NH1 2.78Å; D548-R716 PolarHBondContact OD2-NH1 2.95Å; D548-R716 IonicContact OD2-NH2 3.3Å; D548-H762 IonicContact OD2-NE2 3.62Å
549	G	89.3	Confident	91.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-57.8	-45.1	165.8	0	0	0	0	0	112.1	D546 H551 I552 K553	D546-G549 PolarHBondContact OD1-N 3.02Å; G549-H551 VanDerWaalsContact C-N 3.28Å; G549-H551 PolarHBondContact O-N 3.47Å; G549-I552 WeakPolarHBondContact O-CA 3.34Å; G549-I552 WeakPolarHBondContact O-CB 3.16Å; G549-I552 PolarHBondContact O-N 3.3Å; G549-K553 WeakPolarHBondContact O-CG 3.46Å; G549-K553 PolarHBondContact O-N 2.83Å
550	S	91.3	Very high	91.4	Very high	8 Å²	8	12 Å²	12	6%	0.056	6%	0.06	C	C	.	.	H	α-helix	trans	-55.4	-39.7	172.9	-58.4	0	0	0	0	113.1	D546 Q547 K553 G554 E705	D546-S550 PolarHBondContact O-N 3.4Å; D546-S550 VanDerWaalsContact O-N 3.11Å; D546-S550 PolarHBondContact O-OG 3.21Å; D546-S550 VanDerWaalsContact O-OG 3.11Å; Q547-S550 WeakPolarHBondContact O-CB 3.45Å; Q547-S550 PolarHBondContact O-N 3.21Å; S550-K553 WeakPolarHBondContact O-CB 3.33Å; S550-K553 PolarHBondContact O-N 2.85Å; S550-G554 PolarHBondContact O-N 3.06Å; S550-G554 VanDerWaalsContact O-N 3.1Å; S550-E705 WeakPolarHBondContact CB-OE1 3.44Å; S550-E705 WeakPolarHBondContact OG-CG 3.35Å; S550-E705 PolarHBondContact OG-OE1 2.86Å
551	H	92.4	Very high	91.3	Very high	38 Å²	38	12.7 Å²	12.7	18%	0.176	6%	0.064	C	C	.	.	H	α-helix	trans	-64.7	-41.3	173.7	-173.8	-173.1	0	0	0	112	Q547 D548 G549 G554 L555 F709	Q547-H551 PolarHBondContact O-N 3.42Å; D548-H551 WeakPolarHBondContact O-CB 3.43Å; D548-H551 PolarHBondContact O-N 2.82Å; G549-H551 VanDerWaalsContact C-N 3.28Å; G549-H551 PolarHBondContact O-N 3.47Å; H551-G554 PolarHBondContact O-N 3.49Å; H551-L555 WeakPolarHBondContact NE2-CD1 3.48Å; H551-L555 WeakPolarHBondContact O-CG 3.46Å; H551-L555 PolarHBondContact O-N 3.33Å; H551-F709 HydrophobicContact CB-CD1 3.78Å; H551-F709 HydrophobicContact CB-CD2 3.78Å; H551-F709 HydrophobicContact CB-CE1 3.91Å; H551-F709 HydrophobicContact CB-CE2 3.89Å; H551-F709 HydrophobicContact CB-CG 3.74Å; H551-F709 HydrophobicContact CB-CZ 3.99Å; H551-F709 AromaticContact CE1-CE1 3.7Å; H551-F709 AromaticContact CE1-CZ 3.76Å; H551-F709 AromaticContact CG-CD1 3.86Å; H551-F709 AromaticContact CG-CE1 3.55Å; H551-F709 AromaticContact CG-CZ 3.72Å; H551-F709 AromaticContact ND1-CE1 3.26Å; H551-F709 VanDerWaalsContact ND1-CE1 3.26Å; H551-F709 WeakPolarHBondContact ND1-CE1 3.46Å; H551-F709 AromaticContact ND1-CE2 3.71Å; H551-F709 AromaticContact ND1-CZ 3.08Å; H551-F709 WeakPolarHBondContact ND1-CZ 3.3Å
552	I	93.2	Very high	91	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-62.6	-42.8	176.3	-67.5	175.1	0	0	0	111.3	E464 L489 K492 T543 D548 G549 G554 L555 I556	E464-I552 HydrophobicContact CG-CD1 4.11Å; E464-I552 WeakPolarHBondContact OE1-CD1 3.37Å; L489-I552 HydrophobicContact CD1-CG2 4.03Å; K492-I552 HydrophobicContact CG-CD1 4.48Å; K492-I552 HydrophobicContact CG-CG1 4.15Å; T543-I552 HydrophobicContact CG2-CB 3.87Å; T543-I552 HydrophobicContact CG2-CG2 3.68Å; D548-I552 PolarHBondContact O-N 3.34Å; D548-I552 VanDerWaalsContact O-N 3.1Å; G549-I552 WeakPolarHBondContact O-CA 3.34Å; G549-I552 WeakPolarHBondContact O-CB 3.16Å; G549-I552 PolarHBondContact O-N 3.3Å; I552-G554 VanDerWaalsContact C-N 3.32Å; I552-G554 PolarHBondContact O-N 3.25Å; I552-L555 PolarHBondContact O-N 3.45Å; I552-I556 HydrophobicContact CG2-CD1 3.83Å; I552-I556 HydrophobicContact CG2-CG1 4.47Å; I552-I556 VanDerWaalsContact O-CG1 3.3Å; I552-I556 WeakPolarHBondContact O-CG1 3.36Å; I552-I556 PolarHBondContact O-N 3.08Å
553	K	94.1	Very high	90.7	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.009	9%	0.088	C	C	.	.	H	α-helix	trans	-52.8	-51	171.6	-61.1	171.1	-155.4	-179.7	0	110.6	I541 T543 G549 S550 L555 I556 I557 E575 F701 E705	I541-K553 HydrophobicContact CG2-CB 4.45Å; I541-K553 HydrophobicContact CG2-CG 3.83Å; T543-K553 HydrophobicContact CG2-CG 4.28Å; T543-K553 WeakPolarHBondContact OG1-CE 3.49Å; G549-K553 WeakPolarHBondContact O-CG 3.46Å; G549-K553 PolarHBondContact O-N 2.83Å; S550-K553 WeakPolarHBondContact O-CB 3.33Å; S550-K553 PolarHBondContact O-N 2.85Å; K553-L555 PolarHBondContact O-N 3.42Å; K553-I556 PolarHBondContact O-N 2.93Å; K553-I557 WeakPolarHBondContact O-CD1 3.46Å; K553-I557 VanDerWaalsContact O-CG1 3.3Å; K553-I557 WeakPolarHBondContact O-CG1 3.37Å; K553-I557 PolarHBondContact O-N 3.09Å; K553-E575 WeakPolarHBondContact CD-OE1 3.37Å; K553-E575 WeakPolarHBondContact CE-OE1 3.23Å; K553-E575 IonicContact NZ-OE1 3.01Å; K553-E575 PolarHBondContact NZ-OE1 3.13Å; K553-F701 HydrophobicContact CB-CE2 3.85Å; K553-F701 HydrophobicContact CB-CZ 3.75Å; K553-F701 HydrophobicContact CD-CE2 4.02Å; K553-E705 WeakPolarHBondContact CD-OE1 3.46Å; K553-E705 WeakPolarHBondContact CE-OE1 3.38Å; K553-E705 IonicContact NZ-OE1 3.64Å; K553-E705 PolarHBondContact NZ-OE1 2.86Å; K553-E705 IonicContact NZ-OE2 2.81Å
554	G	94	Very high	90.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.1	-40.9	179.6	0	0	0	0	0	113.9	S550 H551 I552 I557 N558 F656	S550-G554 PolarHBondContact O-N 3.06Å; S550-G554 VanDerWaalsContact O-N 3.1Å; H551-G554 PolarHBondContact O-N 3.49Å; I552-G554 VanDerWaalsContact C-N 3.32Å; I552-G554 PolarHBondContact O-N 3.25Å; G554-I557 PolarHBondContact O-N 2.95Å; G554-N558 WeakPolarHBondContact O-CB 3.44Å; G554-N558 PolarHBondContact O-N 2.95Å; G554-F656 WeakPolarHBondContact O-CE2 3.3Å; G554-F656 WeakPolarHBondContact O-CZ 3.35Å
555	L	94.6	Very high	90.8	Very high	9 Å²	9	17 Å²	17	5%	0.047	9%	0.092	C	C	.	.	H	α-helix	trans	-65.6	-38.3	177.2	-72.2	162.9	0	0	0	112.3	K492 L493 N495 H551 I552 K553 F559 F656	K492-L555 HydrophobicContact CB-CD1 4.22Å; L493-L555 HydrophobicContact CB-CB 4.11Å; L493-L555 WeakPolarHBondContact O-CD1 3.5Å; N495-L555 HydrophobicContact CB-CD2 4.18Å; H551-L555 WeakPolarHBondContact NE2-CD1 3.48Å; H551-L555 WeakPolarHBondContact O-CG 3.46Å; H551-L555 PolarHBondContact O-N 3.33Å; I552-L555 PolarHBondContact O-N 3.45Å; K553-L555 PolarHBondContact O-N 3.42Å; L555-F559 WeakPolarHBondContact O-CB 3.49Å; L555-F559 PolarHBondContact O-N 2.85Å; L555-F656 HydrophobicContact CD2-CD1 4.1Å; L555-F656 HydrophobicContact CD2-CE1 3.65Å; L555-F656 HydrophobicContact CG-CE1 4Å
556	I	94.5	Very high	91	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.015	9%	0.094	C	C	.	.	H	α-helix	trans	-66	-44.4	174	-64.5	162.1	0	0	0	110.4	L462 L489 L493 I541 I552 K553 N558 F559 V560	L462-I556 HydrophobicContact CD1-CD1 4.25Å; L462-I556 HydrophobicContact CD1-CG2 4.22Å; L489-I556 HydrophobicContact CD1-CD1 3.83Å; L489-I556 HydrophobicContact CD1-CG1 4.27Å; L493-I556 HydrophobicContact CD2-CG1 4.15Å; I541-I556 HydrophobicContact CD1-CB 3.91Å; I541-I556 HydrophobicContact CD1-CD1 4.06Å; I541-I556 HydrophobicContact CD1-CG2 3.74Å; I541-I556 HydrophobicContact CG1-CD1 4.04Å; I541-I556 HydrophobicContact CG1-CG2 4.18Å; I541-I556 HydrophobicContact CG2-CD1 3.81Å; I552-I556 HydrophobicContact CG2-CD1 3.83Å; I552-I556 HydrophobicContact CG2-CG1 4.47Å; I552-I556 VanDerWaalsContact O-CG1 3.3Å; I552-I556 WeakPolarHBondContact O-CG1 3.36Å; I552-I556 PolarHBondContact O-N 3.08Å; K553-I556 PolarHBondContact O-N 2.93Å; I556-N558 PolarHBondContact O-N 3.47Å; I556-F559 WeakPolarHBondContact O-CB 3.46Å; I556-F559 PolarHBondContact O-N 2.74Å; I556-V560 PolarHBondContact O-N 2.88Å
557	I	94.9	Very high	91.4	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	-59.8	-46.5	176.3	-69.8	162	0	0	0	110.6	K553 G554 V560 H561 L568 F641 I652 Y698 F701	K553-I557 WeakPolarHBondContact O-CD1 3.46Å; K553-I557 VanDerWaalsContact O-CG1 3.3Å; K553-I557 WeakPolarHBondContact O-CG1 3.37Å; K553-I557 PolarHBondContact O-N 3.09Å; G554-I557 PolarHBondContact O-N 2.95Å; I557-V560 PolarHBondContact O-N 3.5Å; I557-H561 VanDerWaalsContact O-CB 3.32Å; I557-H561 WeakPolarHBondContact O-CB 3.49Å; I557-H561 PolarHBondContact O-N 3.37Å; I557-L568 HydrophobicContact CG2-CD1 4.24Å; I557-F641 HydrophobicContact CD1-CD1 4.4Å; I557-F641 HydrophobicContact CD1-CE1 3.73Å; I557-F641 HydrophobicContact CD1-CE2 4.35Å; I557-F641 HydrophobicContact CD1-CZ 3.72Å; I557-I652 HydrophobicContact CG2-CD1 3.73Å; I557-I652 HydrophobicContact CG2-CG1 4.05Å; I557-Y698 HydrophobicContact CD1-CD1 4.21Å; I557-Y698 HydrophobicContact CD1-CE1 4.46Å; I557-Y698 HydrophobicContact CG1-CD1 4.37Å; I557-Y698 HydrophobicContact CG1-CE1 4.28Å; I557-Y698 HydrophobicContact CG2-CD1 3.68Å; I557-Y698 HydrophobicContact CG2-CE1 4.02Å; I557-F701 HydrophobicContact CD1-CD1 3.88Å; I557-F701 HydrophobicContact CD1-CE1 3.77Å; I557-F701 HydrophobicContact CD1-CG 4.44Å; I557-F701 HydrophobicContact CD1-CZ 4.25Å
558	N	94.8	Very high	91.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-67.1	-34.2	176.2	174.8	55.6	0	0	0	112.9	N495 R497 G554 I556 V560 H561 C562 I652 F656	N495-N558 PolarHBondContact OD1-ND2 3.16Å; R497-N558 PolarHBondContact NE-OD1 2.98Å; R497-N558 PolarHBondContact NH2-OD1 3Å; G554-N558 WeakPolarHBondContact O-CB 3.44Å; G554-N558 PolarHBondContact O-N 2.95Å; I556-N558 PolarHBondContact O-N 3.47Å; N558-V560 VanDerWaalsContact C-N 3.35Å; N558-V560 PolarHBondContact O-N 2.66Å; N558-H561 PolarHBondContact O-N 2.88Å; N558-C562 WeakPolarHBondContact O-CB 3.42Å; N558-C562 PolarHBondContact O-N 3.1Å; N558-I652 HydrophobicContact CB-CG2 4.03Å; N558-F656 HydrophobicContact CB-CB 4.14Å; N558-F656 HydrophobicContact CB-CD1 4.33Å; N558-F656 HydrophobicContact CB-CD2 3.56Å; N558-F656 HydrophobicContact CB-CE2 4.04Å; N558-F656 HydrophobicContact CB-CG 3.73Å; N558-F656 VanDerWaalsContact CG-CB 3.49Å; N558-F656 WeakPolarHBondContact ND2-CB 3.4Å
559	F	93.6	Very high	91.9	Very high	3 Å²	3	15.8 Å²	15.8	1%	0.013	8%	0.084	C	C	.	.	H	α-helix	trans	-59.6	-43.6	172.6	163	-110.6	0	0	0	112.1	L493 V496 I510 L513 I514 L555 I556 N563 W564	L493-F559 HydrophobicContact CD2-CB 3.89Å; L493-F559 HydrophobicContact CD2-CD1 4.46Å; L493-F559 HydrophobicContact CD2-CG 4.19Å; V496-F559 HydrophobicContact CG1-CD2 3.91Å; V496-F559 HydrophobicContact CG2-CB 4.36Å; V496-F559 HydrophobicContact CG2-CD2 4.18Å; I510-F559 HydrophobicContact CG2-CE2 3.83Å; I510-F559 HydrophobicContact CG2-CZ 4.42Å; L513-F559 HydrophobicContact CB-CE1 4.46Å; L513-F559 HydrophobicContact CD1-CE1 4.43Å; I514-F559 HydrophobicContact CG1-CZ 4.04Å; L555-F559 WeakPolarHBondContact O-CB 3.49Å; L555-F559 PolarHBondContact O-N 2.85Å; I556-F559 WeakPolarHBondContact O-CB 3.46Å; I556-F559 PolarHBondContact O-N 2.74Å; F559-N563 PolarHBondContact O-ND2 3.29Å; F559-W564 HydrophobicContact CE1-CZ3 4.48Å; F559-W564 HydrophobicContact CE2-CZ3 4.05Å; F559-W564 AromaticContact CZ-CZ3 3.81Å; F559-W564 HydrophobicContact CZ-CZ3 3.81Å
560	V	93	Very high	91.8	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-71.6	-46.6	175.5	179.4	0	0	0	0	111	I539 I556 I557 N558 C562 N563 W564 L567 L568	I539-V560 HydrophobicContact CD1-CG2 4.34Å; I556-V560 PolarHBondContact O-N 2.88Å; I557-V560 PolarHBondContact O-N 3.5Å; N558-V560 VanDerWaalsContact C-N 3.35Å; N558-V560 PolarHBondContact O-N 2.66Å; V560-C562 PolarHBondContact O-N 3.43Å; V560-N563 PolarHBondContact O-N 3.08Å; V560-W564 CarbonylContact O-C 3.52Å; V560-W564 WeakPolarHBondContact O-CA 3.33Å; V560-W564 PolarHBondContact O-N 3.2Å; V560-L567 HydrophobicContact CG1-CB 3.74Å; V560-L567 HydrophobicContact CG1-CD1 4.27Å; V560-L568 HydrophobicContact CB-CD2 3.95Å; V560-L568 HydrophobicContact CG1-CD2 3.59Å; V560-L568 HydrophobicContact CG1-CG 4.1Å
561	H	93.1	Very high	91.7	Very high	14 Å²	14	23.2 Å²	23.2	7%	0.065	12%	0.12	C	C	.	.	H	α-helix	trans	-57.2	-46.7	179.3	178.4	-155.7	0	0	0	112.8	R497 I557 N558 N563 P565 L568 D649 I652	R497-H561 PolarHBondContact NH2-ND1 3.32Å; I557-H561 VanDerWaalsContact O-CB 3.32Å; I557-H561 WeakPolarHBondContact O-CB 3.49Å; I557-H561 PolarHBondContact O-N 3.37Å; N558-H561 PolarHBondContact O-N 2.88Å; H561-N563 PolarHBondContact O-N 3.23Å; H561-P565 WeakPolarHBondContact O-CB 3.46Å; H561-P565 WeakPolarHBondContact O-CD 3.39Å; H561-L568 HydrophobicContact CB-CD1 3.79Å; H561-D649 IonicContact CD2-OD1 2.64Å; H561-D649 PolarHBondContact CE1-O 3.31Å; H561-D649 IonicContact NE2-OD1 3.73Å; H561-D649 PolarHBondContact NE2-OD1 3.22Å; H561-I652 HydrophobicContact CB-CD1 4.37Å; H561-I652 HydrophobicContact CB-CG2 4.15Å; H561-I652 WeakPolarHBondContact ND1-CB 3.4Å; H561-I652 WeakPolarHBondContact ND1-CG2 3.38Å
562	C	89.6	Confident	91.6	Very high	47 Å²	47	22 Å²	22	32%	0.318	12%	0.115	S	C	.	.	H	α-helix	trans	-68.4	-33.1	-173.7	-171	0	0	0	0	113.1	V496 N558 V560	V496-C562 HydrophobicContact CG2-CB 3.89Å; N558-C562 WeakPolarHBondContact O-CB 3.42Å; N558-C562 PolarHBondContact O-N 3.1Å; V560-C562 PolarHBondContact O-N 3.43Å
563	N	87.3	Confident	91.6	Very high	39 Å²	39	21.9 Å²	21.9	21%	0.209	12%	0.115	C	C	.	.	H	α-helix	trans	-100.9	-37.7	-174.8	-65	-67	0	0	0	112.9	Y521 F559 V560 H561	Y521-N563 WeakPolarHBondContact CE1-OD1 3.43Å; F559-N563 PolarHBondContact O-ND2 3.29Å; V560-N563 PolarHBondContact O-N 3.08Å; H561-N563 PolarHBondContact O-N 3.23Å
564	W	91	Very high	91.6	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	12%	0.115	C	C	.	.			trans	-142.6	62.3	-171.2	-59	-71.1	0	0	0	111.3	I514 L519 Q520 Y521 Y525 F559 V560 N566 L567	I514-W564 HydrophobicContact CD1-CH2 4.13Å; I514-W564 HydrophobicContact CG1-CH2 4Å; L519-W564 HydrophobicContact CB-CH2 3.88Å; L519-W564 HydrophobicContact CB-CZ2 3.88Å; L519-W564 HydrophobicContact CB-CZ3 4.25Å; L519-W564 HydrophobicContact CD1-CE3 3.97Å; L519-W564 HydrophobicContact CD1-CH2 4.18Å; L519-W564 HydrophobicContact CD1-CZ3 3.72Å; L519-W564 HydrophobicContact CD2-CD2 4.04Å; L519-W564 HydrophobicContact CD2-CE3 4.1Å; L519-W564 HydrophobicContact CG-CE3 4.46Å; L519-W564 HydrophobicContact CG-CZ3 4.38Å; Q520-W564 PolarHBondContact O-NE1 3.18Å; Y521-W564 HydrophobicContact CD1-CH2 4.3Å; Y521-W564 AromaticContact CD1-CZ2 3.85Å; Y521-W564 HydrophobicContact CD1-CZ2 3.85Å; Y521-W564 HydrophobicContact CE1-CH2 4.02Å; Y521-W564 HydrophobicContact CE1-CZ2 4.05Å; Y521-W564 HydrophobicContact CG-CZ2 4.12Å; Y525-W564 HydrophobicContact CD2-CB 4.38Å; Y525-W564 AromaticContact CD2-CD1 3.57Å; Y525-W564 HydrophobicContact CD2-CG 4.07Å; Y525-W564 AromaticContact CE2-CD1 3.58Å; Y525-W564 HydrophobicContact CE2-CG 4.21Å; Y525-W564 AromaticContact CE2-NE1 3.73Å; F559-W564 HydrophobicContact CE1-CZ3 4.48Å; F559-W564 HydrophobicContact CE2-CZ3 4.05Å; F559-W564 AromaticContact CZ-CZ3 3.81Å; F559-W564 HydrophobicContact CZ-CZ3 3.81Å; V560-W564 CarbonylContact O-C 3.52Å; V560-W564 WeakPolarHBondContact O-CA 3.33Å; V560-W564 PolarHBondContact O-N 3.2Å; W564-N566 PolarHBondContact O-N 3.02Å; W564-L567 HydrophobicContact CB-CD1 3.59Å; W564-L567 HydrophobicContact CB-CG 3.92Å; W564-L567 HydrophobicContact CG-CD1 4.14Å; W564-L567 WeakPolarHBondContact O-CB 3.46Å; W564-L567 PolarHBondContact O-N 3.47Å
565	P	88.1	Confident	91.6	Very high	45 Å²	45	22 Å²	22	29%	0.292	12%	0.115	S	C	.	.	H	α-helix	trans	-55.1	-30	-170.6	20.4	-33.7	0	0	0	114.4	H561 L567 L568	H561-P565 WeakPolarHBondContact O-CB 3.46Å; H561-P565 WeakPolarHBondContact O-CD 3.39Å; P565-L567 VanDerWaalsContact C-N 3.28Å; P565-L567 PolarHBondContact O-N 3.34Å; P565-L568 PolarHBondContact O-N 3.43Å
566	N	89.4	Confident	91.5	Very high	29 Å²	29	21.5 Å²	21.5	16%	0.155	11%	0.113	C	C	.	.	H	α-helix	trans	-71.5	-17.9	179.5	-55.4	-46.3	0	0	0	113.8	K524 E526 W564 L568 K569 H570	K524-N566 WeakPolarHBondContact O-CB 3.41Å; K524-N566 PolarHBondContact O-ND2 2.98Å; E526-N566 HydrophobicContact CG-CB 4.45Å; E526-N566 WeakPolarHBondContact CG-ND2 3.36Å; W564-N566 PolarHBondContact O-N 3.02Å; N566-L568 VanDerWaalsContact C-N 3.29Å; N566-L568 PolarHBondContact O-N 2.74Å; N566-K569 WeakPolarHBondContact O-CB 3.41Å; N566-K569 PolarHBondContact O-N 3.03Å; N566-K569 PolarHBondContact OD1-NZ 3.41Å; N566-H570 PolarHBondContact O-CD2 2.72Å; N566-H570 PolarHBondContact O-N 3.16Å
567	L	91	Very high	91.3	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.026	11%	0.113	C	C	.	.	H	α-helix	trans	-64.9	-33.1	173.6	-70	178.6	0	0	0	112.1	L519 Y525 L531 L534 V560 W564 P565 K569 H570 V572	L519-L567 HydrophobicContact CD2-CD1 3.63Å; Y525-L567 VanDerWaalsContact CB-CD2 3.44Å; Y525-L567 HydrophobicContact CD1-CD2 4.26Å; Y525-L567 HydrophobicContact CD2-CD1 4.24Å; Y525-L567 HydrophobicContact CD2-CD2 4.26Å; Y525-L567 HydrophobicContact CD2-CG 4.28Å; Y525-L567 HydrophobicContact CG-CD2 3.73Å; Y525-L567 HydrophobicContact CG-CG 4.21Å; L531-L567 HydrophobicContact CD2-CD2 3.62Å; L534-L567 HydrophobicContact CD1-CD2 4.01Å; V560-L567 HydrophobicContact CG1-CB 3.74Å; V560-L567 HydrophobicContact CG1-CD1 4.27Å; W564-L567 HydrophobicContact CB-CD1 3.59Å; W564-L567 HydrophobicContact CB-CG 3.92Å; W564-L567 HydrophobicContact CG-CD1 4.14Å; W564-L567 WeakPolarHBondContact O-CB 3.46Å; W564-L567 PolarHBondContact O-N 3.47Å; P565-L567 VanDerWaalsContact C-N 3.28Å; P565-L567 PolarHBondContact O-N 3.34Å; L567-K569 VanDerWaalsContact C-N 3.3Å; L567-K569 PolarHBondContact O-N 2.89Å; L567-H570 PolarHBondContact O-N 3.16Å; L567-V572 HydrophobicContact CD2-CG2 4.38Å; L567-V572 WeakPolarHBondContact O-CG2 3.36Å
568	L	90.9	Very high	91	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.5	-35.9	174.5	-61.5	-167.2	0	0	0	111.6	I557 V560 H561 P565 N566 H570 N571 V573 I652 Y698	I557-L568 HydrophobicContact CG2-CD1 4.24Å; V560-L568 HydrophobicContact CB-CD2 3.95Å; V560-L568 HydrophobicContact CG1-CD2 3.59Å; V560-L568 HydrophobicContact CG1-CG 4.1Å; H561-L568 HydrophobicContact CB-CD1 3.79Å; P565-L568 PolarHBondContact O-N 3.43Å; N566-L568 VanDerWaalsContact C-N 3.29Å; N566-L568 PolarHBondContact O-N 2.74Å; L568-H570 PolarHBondContact O-N 3.12Å; L568-N571 PolarHBondContact O-N 2.94Å; L568-V573 HydrophobicContact CD2-CG2 3.79Å; L568-I652 HydrophobicContact CD1-CD1 3.85Å; L568-Y698 HydrophobicContact CB-CE2 3.98Å; L568-Y698 HydrophobicContact CD1-CE1 4.22Å; L568-Y698 HydrophobicContact CD1-CE2 4.43Å; L568-Y698 HydrophobicContact CD2-CE1 4.1Å; L568-Y698 PolarHBondContact O-OH 2.95Å
569	K	89.8	Confident	90.6	Very high	83 Å²	83	21.6 Å²	21.6	36%	0.361	11%	0.114	S	C	.	.	H	α-helix	trans	-67.8	-19.6	176.8	-52	179.4	-173.6	164.1	0	113.3	N566 L567 N571 Y643	N566-K569 WeakPolarHBondContact O-CB 3.41Å; N566-K569 PolarHBondContact O-N 3.03Å; N566-K569 PolarHBondContact OD1-NZ 3.41Å; L567-K569 VanDerWaalsContact C-N 3.3Å; L567-K569 PolarHBondContact O-N 2.89Å; K569-N571 VanDerWaalsContact C-N 3.35Å; K569-Y643 HydrophobicContact CB-CD1 4.31Å; K569-Y643 HydrophobicContact CB-CG 4.35Å; K569-Y643 HydrophobicContact CD-CE1 4.15Å; K569-Y643 HydrophobicContact CG-CD1 3.81Å; K569-Y643 HydrophobicContact CG-CD2 3.95Å; K569-Y643 HydrophobicContact CG-CE1 3.89Å; K569-Y643 HydrophobicContact CG-CE2 4.04Å; K569-Y643 HydrophobicContact CG-CG 3.83Å
570	H	87	Confident	90.2	Very high	96 Å²	96	23.1 Å²	23.1	44%	0.444	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	5.5	172.8	-70.3	-58.1	0	0	0	113.4	Y525 L531 N566 L567 L568 V572	Y525-H570 PolarHBondContact O-CD2 3.44Å; L531-H570 HydrophobicContact CD1-CB 4.22Å; N566-H570 PolarHBondContact O-CD2 2.72Å; N566-H570 PolarHBondContact O-N 3.16Å; L567-H570 PolarHBondContact O-N 3.16Å; L568-H570 PolarHBondContact O-N 3.12Å; H570-V572 VanDerWaalsContact C-N 3.26Å; H570-V572 HydrophobicContact CB-CG2 3.95Å; H570-V572 PolarHBondContact O-N 3.37Å
571	N	88.5	Confident	89.8	Confident	69 Å²	69	23 Å²	23	37%	0.369	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	42.2	-179.8	-52.1	-38.4	0	0	0	112.4	L568 K569 V573 F641 R642 Y643	L568-N571 PolarHBondContact O-N 2.94Å; K569-N571 VanDerWaalsContact C-N 3.35Å; N571-V573 VanDerWaalsContact C-N 3.28Å; N571-V573 PolarHBondContact O-N 3.18Å; N571-F641 PolarHBondContact OD1-O 3.01Å; N571-R642 WeakPolarHBondContact OD1-CA 3.45Å; N571-Y643 PolarHBondContact OD1-N 2.91Å
572	V	91	Very high	89.6	Confident	11 Å²	11	22.7 Å²	22.7	7%	0.067	12%	0.119	C	C	.	.			trans	-71.4	-23.3	-179.3	173.1	0	0	0	0	112	K538 I539 L567 H570	K538-V572 CarbonylContact C-O 3.44Å; K538-V572 WeakPolarHBondContact CA-O 3.29Å; I539-V572 HydrophobicContact CD1-CG1 4.4Å; I539-V572 HydrophobicContact CG1-CG1 4.19Å; I539-V572 PolarHBondContact N-O 3.49Å; L567-V572 HydrophobicContact CD2-CG2 4.38Å; L567-V572 WeakPolarHBondContact O-CG2 3.36Å; H570-V572 VanDerWaalsContact C-N 3.26Å; H570-V572 HydrophobicContact CB-CG2 3.95Å; H570-V572 PolarHBondContact O-N 3.37Å
573	V	93.6	Very high	89.6	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.1	-179.8	-169.6	0	0	0	0	110.7	I539 I541 L568 N571 F641	I539-V573 CarbonylContact O-C 3.59Å; I539-V573 WeakPolarHBondContact O-CA 3.5Å; I541-V573 HydrophobicContact CD1-CG1 3.71Å; I541-V573 HydrophobicContact CG1-CG1 4.17Å; L568-V573 HydrophobicContact CD2-CG2 3.79Å; N571-V573 VanDerWaalsContact C-N 3.28Å; N571-V573 PolarHBondContact O-N 3.18Å; V573-F641 HydrophobicContact CB-CD2 4.1Å; V573-F641 HydrophobicContact CG1-CD2 3.7Å; V573-F641 HydrophobicContact CG1-CE2 4.02Å; V573-F641 PolarHBondContact O-N 3.41Å
574	E	94.8	Very high	89.7	Confident	2 Å²	2	20.3 Å²	20.3	1%	0.009	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	167.6	167.5	-62.7	-172	143.7	0	0	108.8	K538 I539 M540 I541 R638 I639 R640	K538-E574 HydrophobicContact CD-CG 4.3Å; K538-E574 VanDerWaalsContact CD-OE2 3.27Å; K538-E574 WeakPolarHBondContact CD-OE2 3.39Å; K538-E574 IonicContact NZ-OE1 3.89Å; K538-E574 PolarHBondContact NZ-OE1 3.07Å; K538-E574 IonicContact NZ-OE2 2.78Å; K538-E574 PolarHBondContact NZ-OE2 3.23Å; I539-E574 PolarHBondContact O-N 3.3Å; M540-E574 CarbonylContact C-O 3.09Å; M540-E574 VanDerWaalsContact CA-O 3.31Å; M540-E574 WeakPolarHBondContact CA-O 3.41Å; I541-E574 PolarHBondContact N-O 3.01Å; E574-R638 HydrophobicContact CB-CG 4.4Å; E574-R638 WeakPolarHBondContact OE2-CD 3.47Å; E574-R638 IonicContact OE2-CZ 3.09Å; E574-R638 IonicContact OE2-NE 2.68Å; E574-R638 IonicContact OE2-NH1 2.91Å; E574-R638 PolarHBondContact OE2-NH1 3.42Å; E574-I639 CarbonylContact C-O 3.58Å; E574-I639 WeakPolarHBondContact CA-O 3.49Å; E574-R640 HydrophobicContact CG-CB 4.49Å; E574-R640 HydrophobicContact CG-CG 4.14Å; E574-R640 VanDerWaalsContact OE1-CD 3.29Å; E574-R640 WeakPolarHBondContact OE1-CD 3.45Å; E574-R640 WeakPolarHBondContact OE1-CG 3.49Å; E574-R640 IonicContact OE1-NE 3.79Å; E574-R640 PolarHBondContact OE1-NE 2.85Å
575	E	93.7	Very high	89.5	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.4	179.8	175.3	176.2	-179.7	0	0	110.2	I541 K553 I577 R638 I639 F641 Y689	I541-E575 CarbonylContact O-C 3.52Å; I541-E575 WeakPolarHBondContact O-CA 3.38Å; K553-E575 WeakPolarHBondContact CD-OE1 3.37Å; K553-E575 WeakPolarHBondContact CE-OE1 3.23Å; K553-E575 IonicContact NZ-OE1 3.01Å; K553-E575 PolarHBondContact NZ-OE1 3.13Å; E575-I577 HydrophobicContact CG-CG2 4.03Å; E575-R638 WeakPolarHBondContact O-CA 3.45Å; E575-I639 HydrophobicContact CB-CB 4.37Å; E575-I639 PolarHBondContact N-O 3.21Å; E575-I639 PolarHBondContact O-N 2.68Å; E575-F641 HydrophobicContact CB-CE2 4.09Å; E575-Y689 PolarHBondContact OE1-OH 2.67Å; E575-Y689 PolarHBondContact OE2-OH 3.01Å; E575-Y689 VanDerWaalsContact OE2-OH 3.1Å
576	F	92.7	Very high	89.4	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	104.7	170.8	-166.5	-86	0	0	0	109.6	M540 I541 M542 T578 F631 M634 H637	M540-F576 HydrophobicContact CE-CD2 4.45Å; M540-F576 HydrophobicContact CG-CB 4.02Å; M540-F576 HydrophobicContact SD-CB 4.07Å; M540-F576 HydrophobicContact SD-CD2 4.01Å; M540-F576 HydrophobicContact SD-CG 4.48Å; I541-F576 PolarHBondContact O-N 2.78Å; M542-F576 HydrophobicContact CB-CB 4.09Å; M542-F576 HydrophobicContact CE-CD1 4Å; M542-F576 HydrophobicContact CE-CE1 4.05Å; M542-F576 HydrophobicContact CG-CB 4.11Å; M542-F576 HydrophobicContact CG-CD1 4.05Å; M542-F576 HydrophobicContact CG-CG 4.34Å; M542-F576 HydrophobicContact SD-CB 4.45Å; M542-F576 HydrophobicContact SD-CD1 3.99Å; M542-F576 HydrophobicContact SD-CE1 4.49Å; M542-F576 HydrophobicContact SD-CG 4.22Å; F576-T578 HydrophobicContact CD1-CG2 4.2Å; F576-T578 HydrophobicContact CE1-CG2 3.83Å; F576-F631 HydrophobicContact CD2-CE2 4.49Å; F576-F631 HydrophobicContact CE1-CD2 4.43Å; F576-F631 AromaticContact CE1-CE2 3.99Å; F576-F631 HydrophobicContact CE1-CE2 3.99Å; F576-F631 AromaticContact CE2-CD2 3.87Å; F576-F631 HydrophobicContact CE2-CD2 3.87Å; F576-F631 AromaticContact CE2-CE2 3.72Å; F576-F631 HydrophobicContact CE2-CE2 3.72Å; F576-F631 HydrophobicContact CE2-CG 4.37Å; F576-F631 HydrophobicContact CE2-CZ 4.09Å; F576-F631 AromaticContact CZ-CD2 3.52Å; F576-F631 HydrophobicContact CZ-CD2 3.52Å; F576-F631 AromaticContact CZ-CE2 3.42Å; F576-F631 HydrophobicContact CZ-CE2 3.42Å; F576-F631 VanDerWaalsContact CZ-CE2 3.42Å; F576-F631 HydrophobicContact CZ-CG 4.39Å; F576-F631 HydrophobicContact CZ-CZ 4.21Å; F576-M634 HydrophobicContact CD2-CE 4.27Å; F576-M634 HydrophobicContact CD2-SD 4.26Å; F576-M634 HydrophobicContact CE2-CE 3.81Å; F576-M634 HydrophobicContact CE2-SD 4.15Å; F576-H637 CarbonylContact C-O 3.53Å; F576-H637 WeakPolarHBondContact CA-O 3.38Å; F576-H637 HydrophobicContact CD2-CB 4.17Å; F576-H637 HydrophobicContact CE1-CB 4.33Å; F576-H637 HydrophobicContact CE2-CB 3.75Å; F576-H637 HydrophobicContact CZ-CB 3.85Å
577	I	90.5	Very high	89.1	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.182	C	C	.	.			trans	-88.6	157.2	174.7	65	172.3	0	0	0	110.9	E575 Y593 H637 I639 Y689	E575-I577 HydrophobicContact CG-CG2 4.03Å; I577-Y593 HydrophobicContact CD1-CD1 3.78Å; I577-Y593 HydrophobicContact CD1-CE1 4.26Å; I577-Y593 HydrophobicContact CG1-CD1 4.16Å; I577-Y593 HydrophobicContact CG1-CE1 4.34Å; I577-H637 PolarHBondContact N-O 2.7Å; I577-H637 PolarHBondContact O-CD2 2.87Å; I577-H637 VanDerWaalsContact O-CD2 3.27Å; I577-I639 HydrophobicContact CD1-CD1 3.93Å; I577-I639 HydrophobicContact CD1-CG1 3.86Å; I577-I639 HydrophobicContact CG1-CG1 4.12Å; I577-I639 HydrophobicContact CG2-CG1 3.92Å; I577-Y689 HydrophobicContact CD1-CD1 4.21Å; I577-Y689 HydrophobicContact CG2-CD1 4.2Å; I577-Y689 HydrophobicContact CG2-CE1 3.91Å
578	T	88.2	Confident	89	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.018	21%	0.206	C	C	.	.			trans	-131.9	162.2	170.7	52.7	0	0	0	0	111	Q545 F576 L619 Y630	Q545-T578 WeakPolarHBondContact CG-OG1 3.39Å; F576-T578 HydrophobicContact CD1-CG2 4.2Å; F576-T578 HydrophobicContact CE1-CG2 3.83Å; T578-L619 HydrophobicContact CG2-CD2 3.54Å; T578-L619 WeakPolarHBondContact OG1-CD2 3.47Å; T578-Y630 HydrophobicContact CG2-CD2 3.81Å; T578-Y630 HydrophobicContact CG2-CE2 3.8Å
579	P	86.3	Confident	88.9	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.013	23%	0.229	C	C	.	.			trans	-59.2	137.3	172.7	-22.4	33.3	0	0	0	111.9	K582 F592 Y593 Y616 Y630	P579-K582 HydrophobicContact CB-CG 4.34Å; P579-F592 CarbonylContact C-O 3.52Å; P579-F592 VanDerWaalsContact CA-O 3.31Å; P579-F592 WeakPolarHBondContact CA-O 3.35Å; P579-Y593 HydrophobicContact CG-CE1 4Å; P579-Y593 HydrophobicContact CG-CE2 4.16Å; P579-Y616 VanDerWaalsContact O-CB 3.3Å; P579-Y616 WeakPolarHBondContact O-CB 3.42Å; P579-Y630 HydrophobicContact CG-CE1 4.19Å
580	I	84.4	Confident	88.8	Confident	34 Å²	34	44.6 Å²	44.6	17%	0.174	23%	0.23	C	C	.	.	S	Bend	trans	-87.9	-34.6	176.8	-58.1	-179.7	0	0	0	110.5	Q545 F592 Y593 L595 Y616	Q545-I580 HydrophobicContact CB-CG1 4.15Å; I580-F592 PolarHBondContact N-O 3.25Å; I580-Y593 WeakPolarHBondContact CD1-O 3.37Å; I580-L595 HydrophobicContact CG2-CD2 4.35Å; I580-Y616 PolarHBondContact O-N 3.34Å
581	V	85.6	Confident	88.9	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	138	179.3	-172.2	0	0	0	0	109.8	V583 F592 L595 F598 V613 Y615	V581-V583 HydrophobicContact CG1-CG1 4.46Å; V581-F592 HydrophobicContact CB-CB 4.41Å; V581-F592 HydrophobicContact CB-CD2 4.35Å; V581-F592 HydrophobicContact CG1-CD2 4.49Å; V581-F592 PolarHBondContact N-O 3.48Å; V581-F592 PolarHBondContact O-N 3.46Å; V581-L595 HydrophobicContact CG2-CD2 3.86Å; V581-F598 HydrophobicContact CB-CB 4.46Å; V581-F598 HydrophobicContact CB-CG 4.3Å; V581-F598 HydrophobicContact CG1-CD1 4.27Å; V581-F598 HydrophobicContact CG1-CD2 3.88Å; V581-F598 HydrophobicContact CG1-CE1 4.38Å; V581-F598 HydrophobicContact CG1-CE2 4.01Å; V581-F598 HydrophobicContact CG1-CG 4.02Å; V581-F598 HydrophobicContact CG1-CZ 4.26Å; V581-F598 HydrophobicContact CG2-CB 4.45Å; V581-F598 HydrophobicContact CG2-CD1 4.24Å; V581-F598 HydrophobicContact CG2-CG 4.32Å; V581-V613 HydrophobicContact CG1-CG1 3.56Å; V581-Y615 HydrophobicContact CG2-CD1 3.75Å; V581-Y615 HydrophobicContact CG2-CE1 3.75Å
582	K	88.4	Confident	88.8	Confident	8 Å²	8	39.4 Å²	39.4	4%	0.035	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.9	165.5	-57.6	-168.8	-174.9	176.2	0	110.7	P579 F584 H590 S591 K614 Y616 E626 Y630	P579-K582 HydrophobicContact CB-CG 4.34Å; K582-F584 HydrophobicContact CB-CE2 3.69Å; K582-F584 HydrophobicContact CB-CZ 3.75Å; K582-F584 HydrophobicContact CD-CZ 4.16Å; K582-H590 CarbonylContact C-O 3.58Å; K582-H590 VanDerWaalsContact CA-O 3.26Å; K582-H590 WeakPolarHBondContact CA-O 3.48Å; K582-S591 WeakPolarHBondContact CG-OG 3.43Å; K582-K614 PolarHBondContact N-O 3.14Å; K582-K614 PolarHBondContact O-N 3.2Å; K582-Y616 HydrophobicContact CB-CD2 4.31Å; K582-Y616 HydrophobicContact CB-CE2 3.87Å; K582-Y616 HydrophobicContact CD-CD2 4.31Å; K582-Y616 HydrophobicContact CD-CE1 4.48Å; K582-Y616 HydrophobicContact CD-CE2 3.71Å; K582-Y616 HydrophobicContact CG-CD2 3.94Å; K582-Y616 HydrophobicContact CG-CE2 3.69Å; K582-E626 IonicContact NZ-OE1 2.68Å; K582-E626 PolarHBondContact NZ-OE1 2.97Å; K582-Y630 WeakPolarHBondContact CE-OH 3.35Å; K582-Y630 PolarHBondContact NZ-OH 3.46Å
583	V	89.8	Confident	88.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	139.2	175.9	-60.4	0	0	0	0	110.3	V581 E589 H590 F592 F598 W601 W611 V613	V581-V583 HydrophobicContact CG1-CG1 4.46Å; V583-E589 WeakPolarHBondContact O-CA 3.48Å; V583-H590 HydrophobicContact CG2-CB 3.76Å; V583-H590 PolarHBondContact N-O 3.5Å; V583-H590 PolarHBondContact O-N 2.8Å; V583-H590 VanDerWaalsContact O-N 3.08Å; V583-F592 HydrophobicContact CB-CE2 4.47Å; V583-F592 HydrophobicContact CG1-CE2 3.95Å; V583-F592 HydrophobicContact CG2-CE2 3.71Å; V583-F592 HydrophobicContact CG2-CZ 4.29Å; V583-F598 HydrophobicContact CG1-CD2 4.08Å; V583-F598 HydrophobicContact CG1-CE2 3.64Å; V583-W601 HydrophobicContact CB-CH2 4.12Å; V583-W601 HydrophobicContact CB-CZ3 4.28Å; V583-W601 HydrophobicContact CG1-CE3 4.41Å; V583-W601 HydrophobicContact CG1-CH2 4.18Å; V583-W601 HydrophobicContact CG1-CZ3 3.83Å; V583-W601 HydrophobicContact CG2-CH2 3.82Å; V583-W601 HydrophobicContact CG2-CZ2 3.96Å; V583-W601 HydrophobicContact CG2-CZ3 4.15Å; V583-W611 HydrophobicContact CB-CB 4.4Å; V583-W611 HydrophobicContact CB-CE3 4.04Å; V583-W611 HydrophobicContact CG2-CE3 3.77Å; V583-W611 HydrophobicContact CG2-CZ3 4.15Å; V583-V613 HydrophobicContact CG1-CB 4.5Å; V583-V613 HydrophobicContact CG1-CG1 4.33Å; V583-V613 HydrophobicContact CG1-CG2 4.16Å
584	F	88.9	Confident	87.8	Confident	36 Å²	36	40.5 Å²	40.5	16%	0.158	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.4	-173.7	-59.4	-86.8	0	0	0	111.9	K582 Q588 E589 R612 K614	K582-F584 HydrophobicContact CB-CE2 3.69Å; K582-F584 HydrophobicContact CB-CZ 3.75Å; K582-F584 HydrophobicContact CD-CZ 4.16Å; F584-Q588 WeakPolarHBondContact CA-O 3.34Å; F584-E589 HydrophobicContact CD1-CB 3.88Å; F584-E589 HydrophobicContact CE1-CB 3.92Å; F584-R612 PolarHBondContact N-O 3.48Å; F584-R612 PolarHBondContact O-N 2.98Å; F584-K614 HydrophobicContact CE2-CB 4.08Å
585	K	88	Confident	87.1	Confident	71 Å²	71	44.3 Å²	44.3	31%	0.309	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	92.8	171.3	-171.4	158.5	179.4	166.6	0	110.1	K587 Q588 N607 T610 W611	K585-K587 PolarHBondContact O-N 2.97Å; K585-Q588 PolarHBondContact N-O 2.73Å; K585-Q588 PolarHBondContact O-N 2.97Å; K585-N607 PolarHBondContact NZ-OD1 2.92Å; K585-N607 VanDerWaalsContact NZ-OD1 3.08Å; K585-T610 PolarHBondContact NZ-OG1 2.93Å; K585-W611 HydrophobicContact CB-CD2 3.57Å; K585-W611 HydrophobicContact CB-CE3 3.42Å; K585-W611 VanDerWaalsContact CB-CE3 3.42Å; K585-W611 HydrophobicContact CB-CG 4.19Å; K585-W611 HydrophobicContact CB-CH2 3.98Å; K585-W611 HydrophobicContact CB-CZ2 4.14Å; K585-W611 HydrophobicContact CB-CZ3 3.63Å; K585-W611 HydrophobicContact CD-CD2 3.77Å; K585-W611 VanDerWaalsContact CD-CE2 3.41Å; K585-W611 HydrophobicContact CD-CE3 4.45Å; K585-W611 HydrophobicContact CD-CG 4.03Å; K585-W611 HydrophobicContact CD-CH2 4.45Å; K585-W611 HydrophobicContact CD-CZ2 3.8Å; K585-W611 HydrophobicContact CG-CD2 4.33Å
586	G	84.8	Confident	86.3	Confident	86 Å²	86	45.2 Å²	45.2	89%	0.887	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	-96	-173.5	0	0	0	0	0	112.2
587	K	83.9	Confident	85.7	Confident	215 Å²	215	45.8 Å²	45.8	94%	0.935	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-2.9	176.2	-66.2	-175.5	179.5	179.3	0	113.9	K585	K585-K587 PolarHBondContact O-N 2.97Å
588	Q	87.9	Confident	85.4	Confident	115 Å²	115	45.9 Å²	45.9	54%	0.537	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130.7	172.4	-67.8	177	-21	0	0	108.8	F584 K585 W611	F584-Q588 WeakPolarHBondContact CA-O 3.34Å; K585-Q588 PolarHBondContact N-O 2.73Å; K585-Q588 PolarHBondContact O-N 2.97Å; Q588-W611 HydrophobicContact CB-CH2 4.08Å; Q588-W611 HydrophobicContact CB-CZ3 4.08Å
589	E	88.7	Confident	85.1	Confident	102 Å²	102	49.6 Å²	49.6	48%	0.477	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.9	172.1	65.3	-171.6	164.2	0	0	109.8	V583 F584	V583-E589 WeakPolarHBondContact O-CA 3.48Å; F584-E589 HydrophobicContact CD1-CB 3.88Å; F584-E589 HydrophobicContact CE1-CB 3.92Å
590	H	88.8	Confident	84.9	Confident	84 Å²	84	53.7 Å²	53.7	39%	0.389	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.1	169	-59	-54.3	0	0	0	109	K582 V583 F592 W611	K582-H590 CarbonylContact C-O 3.58Å; K582-H590 VanDerWaalsContact CA-O 3.26Å; K582-H590 WeakPolarHBondContact CA-O 3.48Å; V583-H590 HydrophobicContact CG2-CB 3.76Å; V583-H590 PolarHBondContact N-O 3.5Å; V583-H590 PolarHBondContact O-N 2.8Å; V583-H590 VanDerWaalsContact O-N 3.08Å; H590-F592 HydrophobicContact CB-CE2 4.28Å; H590-F592 HydrophobicContact CB-CZ 4.04Å; H590-W611 AromaticContact CD2-CH2 3.55Å; H590-W611 AromaticContact CD2-CZ3 3.61Å; H590-W611 AromaticContact NE2-CH2 3.6Å
591	S	88.4	Confident	85	Confident	42 Å²	42	53.8 Å²	53.8	29%	0.294	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.1	-173.3	-68.8	0	0	0	0	109.8	K582	K582-S591 WeakPolarHBondContact CG-OG 3.43Å
592	F	87.2	Confident	84.9	Confident	13 Å²	13	55.5 Å²	55.5	6%	0.057	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143.1	-177.2	-54	-74.8	0	0	0	110.5	P579 I580 V581 V583 H590 E597 F598 W601	P579-F592 CarbonylContact C-O 3.52Å; P579-F592 VanDerWaalsContact CA-O 3.31Å; P579-F592 WeakPolarHBondContact CA-O 3.35Å; I580-F592 PolarHBondContact N-O 3.25Å; V581-F592 HydrophobicContact CB-CB 4.41Å; V581-F592 HydrophobicContact CB-CD2 4.35Å; V581-F592 HydrophobicContact CG1-CD2 4.49Å; V581-F592 PolarHBondContact N-O 3.48Å; V581-F592 PolarHBondContact O-N 3.46Å; V583-F592 HydrophobicContact CB-CE2 4.47Å; V583-F592 HydrophobicContact CG1-CE2 3.95Å; V583-F592 HydrophobicContact CG2-CE2 3.71Å; V583-F592 HydrophobicContact CG2-CZ 4.29Å; H590-F592 HydrophobicContact CB-CE2 4.28Å; H590-F592 HydrophobicContact CB-CZ 4.04Å; F592-E597 HydrophobicContact CB-CB 4.36Å; F592-E597 HydrophobicContact CD1-CB 4.3Å; F592-E597 HydrophobicContact CD1-CG 3.91Å; F592-E597 WeakPolarHBondContact CD1-O 3.43Å; F592-F598 HydrophobicContact CB-CB 3.98Å; F592-F598 HydrophobicContact CD1-CB 4.48Å; F592-F598 HydrophobicContact CD2-CB 3.85Å; F592-F598 AromaticContact CD2-CD2 3.77Å; F592-F598 HydrophobicContact CD2-CD2 3.77Å; F592-F598 HydrophobicContact CD2-CG 4.24Å; F592-F598 HydrophobicContact CE2-CB 4.49Å; F592-F598 AromaticContact CE2-CD2 3.8Å; F592-F598 HydrophobicContact CE2-CD2 3.8Å; F592-F598 HydrophobicContact CG-CB 3.85Å; F592-W601 HydrophobicContact CE1-CB 3.68Å; F592-W601 AromaticContact CE1-CG 3.86Å; F592-W601 HydrophobicContact CE1-CG 3.86Å; F592-W601 HydrophobicContact CE2-CD2 4.17Å; F592-W601 HydrophobicContact CE2-CE3 4.18Å; F592-W601 HydrophobicContact CE2-CG 4.35Å; F592-W601 HydrophobicContact CZ-CB 3.64Å; F592-W601 AromaticContact CZ-CD1 3.88Å; F592-W601 AromaticContact CZ-CD2 3.59Å; F592-W601 HydrophobicContact CZ-CD2 3.59Å; F592-W601 HydrophobicContact CZ-CE3 4.05Å; F592-W601 AromaticContact CZ-CG 3.38Å; F592-W601 HydrophobicContact CZ-CG 3.38Å
593	Y	83.8	Confident	84.6	Confident	27 Å²	27	63.7 Å²	63.7	11%	0.106	32%	0.32	C	S	.	.	S	Bend	trans	-112.1	-2.3	-173.9	-66.4	-105.6	0	0	0	112.9	I577 P579 I580 E597 R636 H637	I577-Y593 HydrophobicContact CD1-CD1 3.78Å; I577-Y593 HydrophobicContact CD1-CE1 4.26Å; I577-Y593 HydrophobicContact CG1-CD1 4.16Å; I577-Y593 HydrophobicContact CG1-CE1 4.34Å; P579-Y593 HydrophobicContact CG-CE1 4Å; P579-Y593 HydrophobicContact CG-CE2 4.16Å; I580-Y593 WeakPolarHBondContact CD1-O 3.37Å; Y593-E597 PolarHBondContact N-OE2 2.87Å; Y593-R636 HydrophobicContact CE1-CG 4.13Å; Y593-R636 HydrophobicContact CE2-CG 4.36Å; Y593-R636 WeakPolarHBondContact OH-CG 3.28Å; Y593-H637 PolarHBondContact OH-NE2 3.03Å
594	S	79.8	Confident	84.4	Confident	8 Å²	8	67.8 Å²	67.8	6%	0.056	35%	0.348	C	S	.	.	S	Bend	trans	-140.1	158.5	163.9	77.3	0	0	0	0	109.7	E597 F598 Y687	S594-E597 PolarHBondContact O-N 3.1Å; S594-E597 WeakPolarHBondContact OG-CB 3.45Å; S594-E597 PolarHBondContact OG-N 2.87Å; S594-E597 VanDerWaalsContact OG-N 3.11Å; S594-F598 PolarHBondContact O-N 3.22Å; S594-Y687 VanDerWaalsContact OG-CD2 3.31Å; S594-Y687 WeakPolarHBondContact OG-CD2 3.42Å; S594-Y687 WeakPolarHBondContact OG-CE2 3.45Å
595	L	78.9	Confident	84.2	Confident	82 Å²	82	67.2 Å²	67.2	43%	0.429	35%	0.347	S	S	.	.	H	α-helix	trans	-64.7	-43.1	173.7	-66.8	172.9	0	0	0	111.8	I580 V581 E597 F598 E599 Y615	I580-L595 HydrophobicContact CG2-CD2 4.35Å; V581-L595 HydrophobicContact CG2-CD2 3.86Å; L595-E597 VanDerWaalsContact C-N 3.28Å; L595-E597 PolarHBondContact O-N 3.47Å; L595-F598 CarbonylContact O-C 3.56Å; L595-F598 WeakPolarHBondContact O-CA 3.07Å; L595-F598 WeakPolarHBondContact O-CB 3.3Å; L595-F598 PolarHBondContact O-N 3.22Å; L595-E599 WeakPolarHBondContact O-CG 3.48Å; L595-E599 PolarHBondContact O-N 3.02Å; L595-Y615 HydrophobicContact CD2-CE1 4.14Å
596	P	77.9	Confident	83.8	Confident	19 Å²	19	69.7 Å²	69.7	12%	0.123	37%	0.371	C	S	.	.	H	α-helix	trans	-57.2	-34.7	172	-30.8	38.6	0	0	0	114.6	F598 E599 E600 Y687	P596-F598 PolarHBondContact O-N 3.2Å; P596-E599 PolarHBondContact O-N 3.42Å; P596-E600 VanDerWaalsContact O-CB 3.27Å; P596-E600 WeakPolarHBondContact O-CB 3.39Å; P596-E600 WeakPolarHBondContact O-CG 3.45Å; P596-E600 PolarHBondContact O-N 2.83Å; P596-Y687 HydrophobicContact CB-CD1 3.56Å; P596-Y687 HydrophobicContact CB-CE1 3.46Å; P596-Y687 VanDerWaalsContact CB-CE1 3.46Å; P596-Y687 HydrophobicContact CB-CG 4.33Å; P596-Y687 HydrophobicContact CG-CD1 3.64Å; P596-Y687 HydrophobicContact CG-CE1 4.11Å; P596-Y687 HydrophobicContact CG-CG 4.19Å
597	E	79.8	Confident	83.7	Confident	13 Å²	13	69 Å²	69	6%	0.061	35%	0.347	C	S	.	.	H	α-helix	trans	-63.9	-30.3	175.6	-161.1	-164.5	173.8	0	0	112.3	F592 Y593 S594 L595 K691	F592-E597 HydrophobicContact CB-CB 4.36Å; F592-E597 HydrophobicContact CD1-CB 4.3Å; F592-E597 HydrophobicContact CD1-CG 3.91Å; F592-E597 WeakPolarHBondContact CD1-O 3.43Å; Y593-E597 PolarHBondContact N-OE2 2.87Å; S594-E597 PolarHBondContact O-N 3.1Å; S594-E597 WeakPolarHBondContact OG-CB 3.45Å; S594-E597 PolarHBondContact OG-N 2.87Å; S594-E597 VanDerWaalsContact OG-N 3.11Å; L595-E597 VanDerWaalsContact C-N 3.28Å; L595-E597 PolarHBondContact O-N 3.47Å; E597-K691 HydrophobicContact CG-CG 4.42Å; E597-K691 WeakPolarHBondContact OE1-CE 3.23Å; E597-K691 WeakPolarHBondContact OE1-CG 3.41Å
598	F	84.6	Confident	83.5	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.018	32%	0.32	C	S	.	.	H	α-helix	trans	-81.9	-40.9	175.1	166.4	-115.8	0	0	0	111.9	V581 V583 F592 S594 L595 P596 W601 Q602 V613	V581-F598 HydrophobicContact CB-CB 4.46Å; V581-F598 HydrophobicContact CB-CG 4.3Å; V581-F598 HydrophobicContact CG1-CD1 4.27Å; V581-F598 HydrophobicContact CG1-CD2 3.88Å; V581-F598 HydrophobicContact CG1-CE1 4.38Å; V581-F598 HydrophobicContact CG1-CE2 4.01Å; V581-F598 HydrophobicContact CG1-CG 4.02Å; V581-F598 HydrophobicContact CG1-CZ 4.26Å; V581-F598 HydrophobicContact CG2-CB 4.45Å; V581-F598 HydrophobicContact CG2-CD1 4.24Å; V581-F598 HydrophobicContact CG2-CG 4.32Å; V583-F598 HydrophobicContact CG1-CD2 4.08Å; V583-F598 HydrophobicContact CG1-CE2 3.64Å; F592-F598 HydrophobicContact CB-CB 3.98Å; F592-F598 HydrophobicContact CD1-CB 4.48Å; F592-F598 HydrophobicContact CD2-CB 3.85Å; F592-F598 AromaticContact CD2-CD2 3.77Å; F592-F598 HydrophobicContact CD2-CD2 3.77Å; F592-F598 HydrophobicContact CD2-CG 4.24Å; F592-F598 HydrophobicContact CE2-CB 4.49Å; F592-F598 AromaticContact CE2-CD2 3.8Å; F592-F598 HydrophobicContact CE2-CD2 3.8Å; F592-F598 HydrophobicContact CG-CB 3.85Å; S594-F598 PolarHBondContact O-N 3.22Å; L595-F598 CarbonylContact O-C 3.56Å; L595-F598 WeakPolarHBondContact O-CA 3.07Å; L595-F598 WeakPolarHBondContact O-CB 3.3Å; L595-F598 PolarHBondContact O-N 3.22Å; P596-F598 PolarHBondContact O-N 3.2Å; F598-W601 HydrophobicContact CD2-CE3 4.06Å; F598-W601 HydrophobicContact CE2-CE3 4.09Å; F598-W601 HydrophobicContact CE2-CZ3 4.12Å; F598-W601 CarbonylContact O-C 3.59Å; F598-W601 WeakPolarHBondContact O-CA 3.35Å; F598-W601 WeakPolarHBondContact O-CB 3.2Å; F598-W601 PolarHBondContact O-N 3.46Å; F598-W601 VanDerWaalsContact O-N 3.11Å; F598-Q602 HydrophobicContact CD2-CG 4.24Å; F598-Q602 HydrophobicContact CE1-CG 4.31Å; F598-Q602 HydrophobicContact CE2-CG 3.78Å; F598-Q602 HydrophobicContact CZ-CG 3.82Å; F598-Q602 PolarHBondContact O-N 2.84Å; F598-V613 HydrophobicContact CE1-CG1 4.41Å; F598-V613 HydrophobicContact CE2-CG1 4.04Å; F598-V613 HydrophobicContact CE2-CG2 4.19Å; F598-V613 HydrophobicContact CZ-CG1 3.67Å; F598-V613 HydrophobicContact CZ-CG2 3.95Å
599	E	80.8	Confident	83	Confident	81 Å²	81	64 Å²	64	38%	0.379	32%	0.323	S	S	.	.	H	α-helix	trans	-64.6	-42.9	175.5	-68.1	163.7	-136.5	0	0	112.2	L595 P596 W601 Q602 K603	L595-E599 WeakPolarHBondContact O-CG 3.48Å; L595-E599 PolarHBondContact O-N 3.02Å; P596-E599 PolarHBondContact O-N 3.42Å; E599-W601 PolarHBondContact O-N 2.94Å; E599-Q602 PolarHBondContact O-N 2.88Å; E599-K603 WeakPolarHBondContact O-CB 3.43Å; E599-K603 WeakPolarHBondContact O-CG 3.26Å; E599-K603 PolarHBondContact O-N 3.46Å
600	E	81.7	Confident	82.7	Confident	87 Å²	87	62.4 Å²	62.4	41%	0.407	32%	0.32	S	S	.	.	H	α-helix	trans	-52.8	-41.6	169.6	-78.9	170.6	-152.7	0	0	110.6	P596 S604 Y687 K691	P596-E600 VanDerWaalsContact O-CB 3.27Å; P596-E600 WeakPolarHBondContact O-CB 3.39Å; P596-E600 WeakPolarHBondContact O-CG 3.45Å; P596-E600 PolarHBondContact O-N 2.83Å; E600-S604 WeakPolarHBondContact O-CB 3.15Å; E600-S604 PolarHBondContact O-N 3.18Å; E600-S604 VanDerWaalsContact O-N 3.13Å; E600-S604 PolarHBondContact O-OG 3.36Å; E600-Y687 PolarHBondContact OE1-OH 3.48Å; E600-K691 IonicContact OE2-NZ 3.76Å
601	W	86.5	Confident	82.6	Confident	36 Å²	36	59.7 Å²	59.7	14%	0.136	31%	0.306	C	S	.	.	H	α-helix	trans	-74	-39	178.9	175.8	83.8	0	0	0	113.1	V583 F592 F598 E599 S604 T605 W608 W611	V583-W601 HydrophobicContact CB-CH2 4.12Å; V583-W601 HydrophobicContact CB-CZ3 4.28Å; V583-W601 HydrophobicContact CG1-CE3 4.41Å; V583-W601 HydrophobicContact CG1-CH2 4.18Å; V583-W601 HydrophobicContact CG1-CZ3 3.83Å; V583-W601 HydrophobicContact CG2-CH2 3.82Å; V583-W601 HydrophobicContact CG2-CZ2 3.96Å; V583-W601 HydrophobicContact CG2-CZ3 4.15Å; F592-W601 HydrophobicContact CE1-CB 3.68Å; F592-W601 AromaticContact CE1-CG 3.86Å; F592-W601 HydrophobicContact CE1-CG 3.86Å; F592-W601 HydrophobicContact CE2-CD2 4.17Å; F592-W601 HydrophobicContact CE2-CE3 4.18Å; F592-W601 HydrophobicContact CE2-CG 4.35Å; F592-W601 HydrophobicContact CZ-CB 3.64Å; F592-W601 AromaticContact CZ-CD1 3.88Å; F592-W601 AromaticContact CZ-CD2 3.59Å; F592-W601 HydrophobicContact CZ-CD2 3.59Å; F592-W601 HydrophobicContact CZ-CE3 4.05Å; F592-W601 AromaticContact CZ-CG 3.38Å; F592-W601 HydrophobicContact CZ-CG 3.38Å; F598-W601 HydrophobicContact CD2-CE3 4.06Å; F598-W601 HydrophobicContact CE2-CE3 4.09Å; F598-W601 HydrophobicContact CE2-CZ3 4.12Å; F598-W601 CarbonylContact O-C 3.59Å; F598-W601 WeakPolarHBondContact O-CA 3.35Å; F598-W601 WeakPolarHBondContact O-CB 3.2Å; F598-W601 PolarHBondContact O-N 3.46Å; F598-W601 VanDerWaalsContact O-N 3.11Å; E599-W601 PolarHBondContact O-N 2.94Å; W601-S604 WeakPolarHBondContact CA-OG 3.36Å; W601-S604 PolarHBondContact O-N 2.8Å; W601-S604 PolarHBondContact O-OG 3.21Å; W601-T605 HydrophobicContact CH2-CG2 4.46Å; W601-T605 HydrophobicContact CZ2-CG2 3.99Å; W601-T605 PolarHBondContact NE1-OG1 3.28Å; W601-T605 WeakPolarHBondContact O-CB 3.36Å; W601-T605 PolarHBondContact O-N 3.38Å; W601-T605 PolarHBondContact O-OG1 3.1Å; W601-W608 HydrophobicContact CH2-CB 4.2Å; W601-W608 HydrophobicContact CZ3-CB 4Å; W601-W611 HydrophobicContact CH2-CB 4.09Å; W601-W611 AromaticContact CH2-CD1 3.79Å; W601-W611 AromaticContact CH2-CD2 3.7Å; W601-W611 HydrophobicContact CH2-CD2 3.7Å; W601-W611 AromaticContact CH2-CE2 3.97Å; W601-W611 HydrophobicContact CH2-CE3 4.24Å; W601-W611 AromaticContact CH2-CG 3.63Å; W601-W611 HydrophobicContact CH2-CG 3.63Å; W601-W611 AromaticContact CH2-NE1 3.97Å; W601-W611 AromaticContact CZ2-CD2 3.75Å; W601-W611 HydrophobicContact CZ2-CD2 3.75Å; W601-W611 AromaticContact CZ2-CE2 3.64Å; W601-W611 HydrophobicContact CZ2-CE3 4.16Å; W601-W611 HydrophobicContact CZ2-CG 4.14Å; W601-W611 HydrophobicContact CZ2-CH2 4.43Å; W601-W611 HydrophobicContact CZ2-CZ2 4.01Å; W601-W611 HydrophobicContact CZ2-CZ3 4.49Å; W601-W611 AromaticContact CZ2-NE1 3.88Å
602	Q	84.5	Confident	82.4	Confident	36 Å²	36	65.7 Å²	65.7	17%	0.168	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-50.8	173.6	-73	176.9	-73.8	0	0	110.7	F598 E599 S604 T605 W608	F598-Q602 HydrophobicContact CD2-CG 4.24Å; F598-Q602 HydrophobicContact CE1-CG 4.31Å; F598-Q602 HydrophobicContact CE2-CG 3.78Å; F598-Q602 HydrophobicContact CZ-CG 3.82Å; F598-Q602 PolarHBondContact O-N 2.84Å; E599-Q602 PolarHBondContact O-N 2.88Å; Q602-S604 PolarHBondContact O-N 2.8Å; Q602-T605 PolarHBondContact O-N 3.06Å; Q602-T605 VanDerWaalsContact O-N 3.1Å; Q602-W608 HydrophobicContact CB-CD2 4.42Å; Q602-W608 HydrophobicContact CB-CG 4.22Å; Q602-W608 HydrophobicContact CG-CB 4.42Å; Q602-W608 HydrophobicContact CG-CD2 4.21Å; Q602-W608 HydrophobicContact CG-CE3 4.26Å; Q602-W608 HydrophobicContact CG-CG 4.29Å
603	K	82.3	Confident	82.3	Confident	181 Å²	181	66.1 Å²	66.1	79%	0.787	33%	0.326	S	S	*	.	H	α-helix	trans	-60.3	-32.4	179.1	-71.4	174.5	178	176.3	0	112.7	E599	E599-K603 WeakPolarHBondContact O-CB 3.43Å; E599-K603 WeakPolarHBondContact O-CG 3.26Å; E599-K603 PolarHBondContact O-N 3.46Å
604	S	85.5	Confident	82.3	Confident	86 Å²	86	68.3 Å²	68.3	60%	0.601	34%	0.336	S	S	*	.	H	α-helix	trans	-91.8	-1.1	177.4	57.8	0	0	0	0	115.3	E600 W601 Q602	E600-S604 WeakPolarHBondContact O-CB 3.15Å; E600-S604 PolarHBondContact O-N 3.18Å; E600-S604 VanDerWaalsContact O-N 3.13Å; E600-S604 PolarHBondContact O-OG 3.36Å; W601-S604 WeakPolarHBondContact CA-OG 3.36Å; W601-S604 PolarHBondContact O-N 2.8Å; W601-S604 PolarHBondContact O-OG 3.21Å; Q602-S604 PolarHBondContact O-N 2.8Å
605	T	84.7	Confident	82.2	Confident	23 Å²	23	69.9 Å²	69.9	14%	0.141	34%	0.341	C	S	.	.			trans	-121.2	92.9	-178.2	-56.2	0	0	0	0	110.7	W601 Q602 N607 W608	W601-T605 HydrophobicContact CH2-CG2 4.46Å; W601-T605 HydrophobicContact CZ2-CG2 3.99Å; W601-T605 PolarHBondContact NE1-OG1 3.28Å; W601-T605 WeakPolarHBondContact O-CB 3.36Å; W601-T605 PolarHBondContact O-N 3.38Å; W601-T605 PolarHBondContact O-OG1 3.1Å; Q602-T605 PolarHBondContact O-N 3.06Å; Q602-T605 VanDerWaalsContact O-N 3.1Å; T605-N607 PolarHBondContact O-N 3.44Å; T605-W608 HydrophobicContact CG2-CB 4.37Å; T605-W608 WeakPolarHBondContact O-CB 3.33Å; T605-W608 PolarHBondContact O-N 3.2Å
606	P	79.1	Confident	82.1	Confident	123 Å²	123	66.3 Å²	66.3	80%	0.799	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.9	-174.4	-29.5	35.8	0	0	0	115.3
607	N	82.6	Confident	81.6	Confident	73 Å²	73	68 Å²	68	39%	0.39	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	23.7	177	68	45.7	0	0	0	114.4	K585 T605 H609 T610 W611	K585-N607 PolarHBondContact NZ-OD1 2.92Å; K585-N607 VanDerWaalsContact NZ-OD1 3.08Å; T605-N607 PolarHBondContact O-N 3.44Å; N607-H609 PolarHBondContact O-N 2.84Å; N607-H609 VanDerWaalsContact O-N 3.16Å; N607-T610 HydrophobicContact CB-CG2 4.29Å; N607-T610 WeakPolarHBondContact O-CB 3.33Å; N607-T610 PolarHBondContact O-N 3.38Å; N607-T610 PolarHBondContact O-OG1 2.83Å; N607-W611 PolarHBondContact OD1-NE1 3.27Å
608	W	79.5	Confident	81	Confident	94 Å²	94	68.1 Å²	68.1	36%	0.356	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-53.4	-36.7	-177.5	70.9	-95.4	0	0	0	112.8	W601 Q602 T605 T610 W611	W601-W608 HydrophobicContact CH2-CB 4.2Å; W601-W608 HydrophobicContact CZ3-CB 4Å; Q602-W608 HydrophobicContact CB-CD2 4.42Å; Q602-W608 HydrophobicContact CB-CG 4.22Å; Q602-W608 HydrophobicContact CG-CB 4.42Å; Q602-W608 HydrophobicContact CG-CD2 4.21Å; Q602-W608 HydrophobicContact CG-CE3 4.26Å; Q602-W608 HydrophobicContact CG-CG 4.29Å; T605-W608 HydrophobicContact CG2-CB 4.37Å; T605-W608 WeakPolarHBondContact O-CB 3.33Å; T605-W608 PolarHBondContact O-N 3.2Å; W608-T610 PolarHBondContact O-N 2.9Å; W608-W611 WeakPolarHBondContact O-CB 3.43Å; W608-W611 PolarHBondContact O-N 2.87Å
609	H	78.3	Confident	80.6	Confident	130 Å²	130	68 Å²	68	60%	0.602	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-60.4	-13.1	175.7	68.1	94.2	0	0	0	114.5	N607	N607-H609 PolarHBondContact O-N 2.84Å; N607-H609 VanDerWaalsContact O-N 3.16Å
610	T	82.7	Confident	80.2	Confident	69 Å²	69	66.3 Å²	66.3	42%	0.423	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-90.1	2.5	172.7	67.5	0	0	0	0	113.8	K585 N607 W608	K585-T610 PolarHBondContact NZ-OG1 2.93Å; N607-T610 HydrophobicContact CB-CG2 4.29Å; N607-T610 WeakPolarHBondContact O-CB 3.33Å; N607-T610 PolarHBondContact O-N 3.38Å; N607-T610 PolarHBondContact O-OG1 2.83Å; W608-T610 PolarHBondContact O-N 2.9Å
611	W	86.7	Confident	79.8	Confident	26 Å²	26	65 Å²	65	10%	0.098	34%	0.335	C	S	.	.	S	Bend	trans	-103.3	139.4	175.6	-62.9	68.9	0	0	0	110	V583 K585 Q588 H590 W601 N607 W608 V613	V583-W611 HydrophobicContact CB-CB 4.4Å; V583-W611 HydrophobicContact CB-CE3 4.04Å; V583-W611 HydrophobicContact CG2-CE3 3.77Å; V583-W611 HydrophobicContact CG2-CZ3 4.15Å; K585-W611 HydrophobicContact CB-CD2 3.57Å; K585-W611 HydrophobicContact CB-CE3 3.42Å; K585-W611 VanDerWaalsContact CB-CE3 3.42Å; K585-W611 HydrophobicContact CB-CG 4.19Å; K585-W611 HydrophobicContact CB-CH2 3.98Å; K585-W611 HydrophobicContact CB-CZ2 4.14Å; K585-W611 HydrophobicContact CB-CZ3 3.63Å; K585-W611 HydrophobicContact CD-CD2 3.77Å; K585-W611 VanDerWaalsContact CD-CE2 3.41Å; K585-W611 HydrophobicContact CD-CE3 4.45Å; K585-W611 HydrophobicContact CD-CG 4.03Å; K585-W611 HydrophobicContact CD-CH2 4.45Å; K585-W611 HydrophobicContact CD-CZ2 3.8Å; K585-W611 HydrophobicContact CG-CD2 4.33Å; Q588-W611 HydrophobicContact CB-CH2 4.08Å; Q588-W611 HydrophobicContact CB-CZ3 4.08Å; H590-W611 AromaticContact CD2-CH2 3.55Å; H590-W611 AromaticContact CD2-CZ3 3.61Å; H590-W611 AromaticContact NE2-CH2 3.6Å; W601-W611 HydrophobicContact CH2-CB 4.09Å; W601-W611 AromaticContact CH2-CD1 3.79Å; W601-W611 AromaticContact CH2-CD2 3.7Å; W601-W611 HydrophobicContact CH2-CD2 3.7Å; W601-W611 AromaticContact CH2-CE2 3.97Å; W601-W611 HydrophobicContact CH2-CE3 4.24Å; W601-W611 AromaticContact CH2-CG 3.63Å; W601-W611 HydrophobicContact CH2-CG 3.63Å; W601-W611 AromaticContact CH2-NE1 3.97Å; W601-W611 AromaticContact CZ2-CD2 3.75Å; W601-W611 HydrophobicContact CZ2-CD2 3.75Å; W601-W611 AromaticContact CZ2-CE2 3.64Å; W601-W611 HydrophobicContact CZ2-CE3 4.16Å; W601-W611 HydrophobicContact CZ2-CG 4.14Å; W601-W611 HydrophobicContact CZ2-CH2 4.43Å; W601-W611 HydrophobicContact CZ2-CZ2 4.01Å; W601-W611 HydrophobicContact CZ2-CZ3 4.49Å; W601-W611 AromaticContact CZ2-NE1 3.88Å; N607-W611 PolarHBondContact OD1-NE1 3.27Å; W608-W611 WeakPolarHBondContact O-CB 3.43Å; W608-W611 PolarHBondContact O-N 2.87Å; W611-V613 PolarHBondContact O-N 3.06Å
612	R	84.4	Confident	79.6	Confident	169 Å²	169	63.8 Å²	63.8	64%	0.638	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	108.9	170.1	-174.7	-172.7	66.7	-172.5	-0.7	109	F584	F584-R612 PolarHBondContact N-O 3.48Å; F584-R612 PolarHBondContact O-N 2.98Å
613	V	84.5	Confident	79.7	Confident	22 Å²	22	65.6 Å²	65.6	13%	0.133	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	143.6	169.4	-168.3	0	0	0	0	109.4	V581 V583 F598 W611 Y615 N836	V581-V613 HydrophobicContact CG1-CG1 3.56Å; V583-V613 HydrophobicContact CG1-CB 4.5Å; V583-V613 HydrophobicContact CG1-CG1 4.33Å; V583-V613 HydrophobicContact CG1-CG2 4.16Å; F598-V613 HydrophobicContact CE1-CG1 4.41Å; F598-V613 HydrophobicContact CE2-CG1 4.04Å; F598-V613 HydrophobicContact CE2-CG2 4.19Å; F598-V613 HydrophobicContact CZ-CG1 3.67Å; F598-V613 HydrophobicContact CZ-CG2 3.95Å; W611-V613 PolarHBondContact O-N 3.06Å; V613-Y615 HydrophobicContact CG1-CD2 4.22Å; V613-Y615 HydrophobicContact CG1-CE2 3.63Å; V613-N836 WeakPolarHBondContact CG2-ND2 3.39Å
614	K	83	Confident	79.9	Confident	73 Å²	73	60.6 Å²	60.6	32%	0.317	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	129.7	167.4	-179.4	-174.2	162.9	-162.3	0	109.2	K582 F584 Y616 T621	K582-K614 PolarHBondContact N-O 3.14Å; K582-K614 PolarHBondContact O-N 3.2Å; F584-K614 HydrophobicContact CE2-CB 4.08Å; K614-Y616 HydrophobicContact CB-CE2 4.15Å; K614-Y616 HydrophobicContact CD-CD2 4.31Å; K614-Y616 HydrophobicContact CD-CE2 3.5Å; K614-Y616 VanDerWaalsContact CD-CE2 3.5Å; K614-Y616 HydrophobicContact CG-CD2 4.16Å; K614-Y616 HydrophobicContact CG-CE2 3.75Å; K614-Y616 PolarHBondContact NZ-OH 3.18Å; K614-Y616 VanDerWaalsContact NZ-OH 3.11Å; K614-T621 PolarHBondContact NZ-O 3.49Å
615	Y	78	Confident	80	Confident	40 Å²	40	62 Å²	62	16%	0.157	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	148.7	175.6	-64.7	-99.7	0	0	0	111	V581 L595 V613 D835 N836	V581-Y615 HydrophobicContact CG2-CD1 3.75Å; V581-Y615 HydrophobicContact CG2-CE1 3.75Å; L595-Y615 HydrophobicContact CD2-CE1 4.14Å; V613-Y615 HydrophobicContact CG1-CD2 4.22Å; V613-Y615 HydrophobicContact CG1-CE2 3.63Å; Y615-D835 WeakPolarHBondContact CB-OD1 3.47Å; Y615-D835 HydrophobicContact CD2-CB 4.16Å; Y615-D835 WeakPolarHBondContact CD2-OD1 3.36Å; Y615-D835 VanDerWaalsContact CG-OD1 3.27Å; Y615-N836 PolarHBondContact OH-OD1 3.37Å
616	Y	76.3	Confident	80.1	Confident	8 Å²	8	61.7 Å²	61.7	3%	0.031	33%	0.325	C	S	.	.			trans	-131.5	56.5	-174.2	-82.2	-104.2	0	0	0	109.4	P579 I580 K582 K614 T621 E626	P579-Y616 VanDerWaalsContact O-CB 3.3Å; P579-Y616 WeakPolarHBondContact O-CB 3.42Å; I580-Y616 PolarHBondContact O-N 3.34Å; K582-Y616 HydrophobicContact CB-CD2 4.31Å; K582-Y616 HydrophobicContact CB-CE2 3.87Å; K582-Y616 HydrophobicContact CD-CD2 4.31Å; K582-Y616 HydrophobicContact CD-CE1 4.48Å; K582-Y616 HydrophobicContact CD-CE2 3.71Å; K582-Y616 HydrophobicContact CG-CD2 3.94Å; K582-Y616 HydrophobicContact CG-CE2 3.69Å; K614-Y616 HydrophobicContact CB-CE2 4.15Å; K614-Y616 HydrophobicContact CD-CD2 4.31Å; K614-Y616 HydrophobicContact CD-CE2 3.5Å; K614-Y616 VanDerWaalsContact CD-CE2 3.5Å; K614-Y616 HydrophobicContact CG-CD2 4.16Å; K614-Y616 HydrophobicContact CG-CE2 3.75Å; K614-Y616 PolarHBondContact NZ-OH 3.18Å; K614-Y616 VanDerWaalsContact NZ-OH 3.11Å; Y616-T621 HydrophobicContact CD1-CG2 4.04Å; Y616-T621 HydrophobicContact CE1-CG2 4.31Å; Y616-T621 HydrophobicContact CG-CG2 4.4Å; Y616-E626 VanDerWaalsContact CE1-OE1 3.27Å; Y616-E626 WeakPolarHBondContact CE1-OE1 3.34Å; Y616-E626 VanDerWaalsContact CZ-OE1 3.29Å; Y616-E626 PolarHBondContact OH-OE1 3.28Å
617	K	68.3	Low	80.5	Confident	53 Å²	53	55.9 Å²	55.9	23%	0.23	29%	0.287	C	S	.	.			trans	-62.6	-50.1	-178.2	-70.2	162.6	175.3	161.4	0	111.5	Q545 H761 D834 D835	Q545-K617 PolarHBondContact N-O 3.09Å; K617-H761 PolarHBondContact NZ-CE1 3.42Å; K617-H761 VanDerWaalsContact NZ-CE1 3.31Å; K617-H761 PolarHBondContact NZ-NE2 3.08Å; K617-D834 IonicContact NZ-OD1 2.68Å; K617-D834 PolarHBondContact NZ-OD1 3.24Å; K617-D834 IonicContact NZ-OD2 3.4Å; K617-D834 PolarHBondContact NZ-OD2 3.45Å; K617-D835 IonicContact NZ-OD1 3.86Å; K617-D835 PolarHBondContact NZ-OD1 3.13Å
618	G	67.9	Low	80.8	Confident	17 Å²	17	57.4 Å²	57.4	18%	0.175	29%	0.291	C	S	.	.	S	Bend	trans	-98.2	145	177.1	0	0	0	0	0	115.1	D544 G620 T621	D544-G618 VanDerWaalsContact CG-CA 3.48Å; D544-G618 WeakPolarHBondContact OD2-CA 3.49Å; G618-G620 PolarHBondContact O-N 3Å; G618-T621 VanDerWaalsContact O-CB 3.28Å; G618-T621 WeakPolarHBondContact O-CB 3.35Å; G618-T621 PolarHBondContact O-N 2.95Å; G618-T621 VanDerWaalsContact O-N 3.09Å; G618-T621 PolarHBondContact O-OG1 3.42Å
619	L	75	Confident	81.3	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-62.8	-30	179	-72.9	174.6	0	0	0	112.6	A468 L471 M542 T543 D544 T578 T621 S622	A468-L619 HydrophobicContact CB-CB 4.15Å; A468-L619 HydrophobicContact CB-CD1 3.49Å; A468-L619 VanDerWaalsContact CB-CD1 3.49Å; A468-L619 HydrophobicContact CB-CG 4.45Å; L471-L619 HydrophobicContact CD2-CB 3.98Å; L471-L619 HydrophobicContact CD2-CD2 3.82Å; L471-L619 HydrophobicContact CD2-CG 4.4Å; M542-L619 HydrophobicContact CE-CD1 4.21Å; M542-L619 HydrophobicContact CG-CD1 3.8Å; T543-L619 VanDerWaalsContact O-CD1 3.28Å; T543-L619 WeakPolarHBondContact O-CD1 3.37Å; D544-L619 WeakPolarHBondContact OD1-CB 3.41Å; D544-L619 VanDerWaalsContact OD1-CG 3.23Å; D544-L619 WeakPolarHBondContact OD1-CG 3.47Å; D544-L619 PolarHBondContact OD1-N 3.17Å; T578-L619 HydrophobicContact CG2-CD2 3.54Å; T578-L619 WeakPolarHBondContact OG1-CD2 3.47Å; L619-T621 PolarHBondContact O-N 3.04Å; L619-S622 WeakPolarHBondContact O-CB 3.25Å; L619-S622 PolarHBondContact O-N 2.7Å; L619-S622 VanDerWaalsContact O-N 3.1Å
620	G	72.4	Confident	81.9	Confident	45 Å²	45	51.1 Å²	51.1	46%	0.464	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-61	-19.9	174.5	0	0	0	0	0	114.5	S467 G618 S622	S467-G620 WeakPolarHBondContact OG-CA 3.33Å; G618-G620 PolarHBondContact O-N 3Å; G620-S622 PolarHBondContact O-N 2.78Å
621	T	73.6	Confident	82.3	Confident	61 Å²	61	47.9 Å²	47.9	37%	0.374	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-74.9	-12.1	176.6	-54.4	0	0	0	0	113	K614 Y616 G618 L619	K614-T621 PolarHBondContact NZ-O 3.49Å; Y616-T621 HydrophobicContact CD1-CG2 4.04Å; Y616-T621 HydrophobicContact CE1-CG2 4.31Å; Y616-T621 HydrophobicContact CG-CG2 4.4Å; G618-T621 VanDerWaalsContact O-CB 3.28Å; G618-T621 WeakPolarHBondContact O-CB 3.35Å; G618-T621 PolarHBondContact O-N 2.95Å; G618-T621 VanDerWaalsContact O-N 3.09Å; G618-T621 PolarHBondContact O-OG1 3.42Å; L619-T621 PolarHBondContact O-N 3.04Å
622	S	82.9	Confident	82.5	Confident	10 Å²	10	50.6 Å²	50.6	7%	0.07	27%	0.268	C	S	.	.	S	Bend	trans	-89.8	127.2	176	-67.3	0	0	0	0	111.8	L471 L619 G620 Y630	L471-S622 VanDerWaalsContact CD1-O 3.27Å; L471-S622 WeakPolarHBondContact CD1-O 3.15Å; L619-S622 WeakPolarHBondContact O-CB 3.25Å; L619-S622 PolarHBondContact O-N 2.7Å; L619-S622 VanDerWaalsContact O-N 3.1Å; G620-S622 PolarHBondContact O-N 2.78Å; S622-Y630 WeakPolarHBondContact OG-CE2 3.42Å; S622-Y630 PolarHBondContact OG-OH 3.33Å; S622-Y630 VanDerWaalsContact OG-OH 3.09Å
623	T	85.7	Confident	82.7	Confident	74 Å²	74	46 Å²	46	45%	0.454	26%	0.256	S	S	.	.			trans	-67.4	160	177.5	62.4	0	0	0	0	112.4	K625 E626 A627	T623-K625 PolarHBondContact O-N 2.89Å; T623-E626 VanDerWaalsContact CB-OE2 3.32Å; T623-E626 WeakPolarHBondContact CB-OE2 3.19Å; T623-E626 WeakPolarHBondContact CG2-OE2 3.16Å; T623-E626 PolarHBondContact N-OE2 2.93Å; T623-E626 PolarHBondContact O-N 3.13Å; T623-E626 VanDerWaalsContact O-N 3.07Å; T623-E626 WeakPolarHBondContact OG1-CG 3.4Å; T623-E626 PolarHBondContact OG1-N 3.33Å; T623-E626 PolarHBondContact OG1-OE2 2.9Å; T623-A627 PolarHBondContact O-N 3.16Å
624	S	85.9	Confident	82.7	Confident	76 Å²	76	46 Å²	46	53%	0.531	26%	0.255	S	S	.	.	H	α-helix	trans	-65	-7.1	173.6	-39.5	0	0	0	0	114.4	K628	S624-K628 WeakPolarHBondContact O-CD 3.42Å; S624-K628 WeakPolarHBondContact O-CG 3.37Å
625	K	88	Confident	82.9	Confident	116 Å²	116	48.6 Å²	48.6	50%	0.504	27%	0.272	S	S	.	.	H	α-helix	trans	-80	-55.3	166.6	174.5	-176	168	-70.5	0	109.7	T623 A627 K628 E629	T623-K625 PolarHBondContact O-N 2.89Å; K625-A627 PolarHBondContact O-N 3.23Å; K625-K628 WeakPolarHBondContact O-CB 3.45Å; K625-K628 PolarHBondContact O-N 2.94Å; K625-E629 WeakPolarHBondContact CE-OE1 3.32Å; K625-E629 IonicContact NZ-OE1 3.96Å; K625-E629 PolarHBondContact NZ-OE1 2.76Å; K625-E629 IonicContact NZ-OE2 3.57Å; K625-E629 PolarHBondContact NZ-OE2 3.02Å; K625-E629 PolarHBondContact O-N 3.34Å
626	E	87.8	Confident	83.3	Confident	16 Å²	16	47.5 Å²	47.5	8%	0.075	27%	0.268	C	S	.	.	H	α-helix	trans	-56.5	-39.4	177.3	-69.6	161	111.5	0	0	111.2	K582 Y616 T623 K628 E629 Y630	K582-E626 IonicContact NZ-OE1 2.68Å; K582-E626 PolarHBondContact NZ-OE1 2.97Å; Y616-E626 VanDerWaalsContact CE1-OE1 3.27Å; Y616-E626 WeakPolarHBondContact CE1-OE1 3.34Å; Y616-E626 VanDerWaalsContact CZ-OE1 3.29Å; Y616-E626 PolarHBondContact OH-OE1 3.28Å; T623-E626 VanDerWaalsContact CB-OE2 3.32Å; T623-E626 WeakPolarHBondContact CB-OE2 3.19Å; T623-E626 WeakPolarHBondContact CG2-OE2 3.16Å; T623-E626 PolarHBondContact N-OE2 2.93Å; T623-E626 PolarHBondContact O-N 3.13Å; T623-E626 VanDerWaalsContact O-N 3.07Å; T623-E626 WeakPolarHBondContact OG1-CG 3.4Å; T623-E626 PolarHBondContact OG1-N 3.33Å; T623-E626 PolarHBondContact OG1-OE2 2.9Å; E626-K628 VanDerWaalsContact C-N 3.31Å; E626-K628 PolarHBondContact O-N 3.41Å; E626-E629 WeakPolarHBondContact O-CB 3.45Å; E626-E629 PolarHBondContact O-N 3.08Å; E626-E629 VanDerWaalsContact O-N 3.12Å; E626-Y630 HydrophobicContact CB-CE1 4.24Å; E626-Y630 HydrophobicContact CB-CE2 4.17Å; E626-Y630 WeakPolarHBondContact O-CD1 3.39Å; E626-Y630 WeakPolarHBondContact O-CD2 3.43Å; E626-Y630 PolarHBondContact O-N 3.46Å
627	A	86.7	Confident	84	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-52.9	-45.3	172.4	0	0	0	0	0	113.2	L471 A474 T623 K625 F631	L471-A627 HydrophobicContact CD1-CB 3.55Å; L471-A627 HydrophobicContact CG-CB 3.93Å; A474-A627 HydrophobicContact CB-CB 4.01Å; T623-A627 PolarHBondContact O-N 3.16Å; K625-A627 PolarHBondContact O-N 3.23Å; A627-F631 WeakPolarHBondContact O-CB 3.42Å; A627-F631 VanDerWaalsContact O-CD2 3.26Å; A627-F631 WeakPolarHBondContact O-CD2 3.41Å; A627-F631 PolarHBondContact O-N 3.37Å
628	K	89.8	Confident	85.1	Confident	106 Å²	106	46.2 Å²	46.2	46%	0.461	26%	0.262	S	S	.	.	H	α-helix	trans	-71.6	-33.9	179.8	-67.7	172.8	-176.9	176.2	0	111.4	V478 S624 K625 E626 S632	V478-K628 HydrophobicContact CG2-CB 3.67Å; V478-K628 HydrophobicContact CG2-CG 3.77Å; S624-K628 WeakPolarHBondContact O-CD 3.42Å; S624-K628 WeakPolarHBondContact O-CG 3.37Å; K625-K628 WeakPolarHBondContact O-CB 3.45Å; K625-K628 PolarHBondContact O-N 2.94Å; E626-K628 VanDerWaalsContact C-N 3.31Å; E626-K628 PolarHBondContact O-N 3.41Å; K628-S632 WeakPolarHBondContact O-CB 3.31Å; K628-S632 PolarHBondContact O-N 2.82Å
629	E	90.2	Very high	86.2	Confident	81 Å²	81	45.4 Å²	45.4	38%	0.379	25%	0.253	S	S	.	.	H	α-helix	trans	-67.1	-48.1	176	-70.4	164.8	162.1	0	0	110.6	K625 E626 F631 S632 D633	K625-E629 WeakPolarHBondContact CE-OE1 3.32Å; K625-E629 IonicContact NZ-OE1 3.96Å; K625-E629 PolarHBondContact NZ-OE1 2.76Å; K625-E629 IonicContact NZ-OE2 3.57Å; K625-E629 PolarHBondContact NZ-OE2 3.02Å; K625-E629 PolarHBondContact O-N 3.34Å; E626-E629 WeakPolarHBondContact O-CB 3.45Å; E626-E629 PolarHBondContact O-N 3.08Å; E626-E629 VanDerWaalsContact O-N 3.12Å; E629-F631 PolarHBondContact O-N 2.95Å; E629-S632 PolarHBondContact O-N 2.85Å; E629-S632 PolarHBondContact O-OG 3.42Å; E629-D633 PolarHBondContact O-N 2.64Å
630	Y	90.9	Very high	87.1	Confident	10 Å²	10	51.4 Å²	51.4	4%	0.039	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-43.5	175.2	-53.3	-26	0	0	0	112.4	T578 P579 K582 S622 E626 S632 D633 M634 H637	T578-Y630 HydrophobicContact CG2-CD2 3.81Å; T578-Y630 HydrophobicContact CG2-CE2 3.8Å; P579-Y630 HydrophobicContact CG-CE1 4.19Å; K582-Y630 WeakPolarHBondContact CE-OH 3.35Å; K582-Y630 PolarHBondContact NZ-OH 3.46Å; S622-Y630 WeakPolarHBondContact OG-CE2 3.42Å; S622-Y630 PolarHBondContact OG-OH 3.33Å; S622-Y630 VanDerWaalsContact OG-OH 3.09Å; E626-Y630 HydrophobicContact CB-CE1 4.24Å; E626-Y630 HydrophobicContact CB-CE2 4.17Å; E626-Y630 WeakPolarHBondContact O-CD1 3.39Å; E626-Y630 WeakPolarHBondContact O-CD2 3.43Å; E626-Y630 PolarHBondContact O-N 3.46Å; Y630-S632 VanDerWaalsContact C-N 3.28Å; Y630-S632 PolarHBondContact O-N 2.87Å; Y630-D633 CarbonylContact O-C 3.55Å; Y630-D633 PolarHBondContact O-N 3.27Å; Y630-M634 PolarHBondContact O-N 3.48Å; Y630-H637 AromaticContact CD1-CD2 3.93Å; Y630-H637 AromaticContact CD1-CE1 3.89Å; Y630-H637 AromaticContact CD1-NE2 3.22Å; Y630-H637 WeakPolarHBondContact CD1-NE2 3.43Å; Y630-H637 AromaticContact CG-CD2 3.88Å; Y630-H637 AromaticContact CG-NE2 3.64Å; Y630-H637 PolarHBondContact O-ND1 3.36Å
631	F	90	Very high	88.1	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.009	25%	0.254	C	S	.	.	H	α-helix	trans	-73	-18.4	177.1	-85.5	-109.3	0	0	0	113.4	I461 A472 V478 V479 M542 F576 A627 E629 M634	I461-F631 HydrophobicContact CD1-CE1 3.88Å; I461-F631 HydrophobicContact CD1-CZ 4.03Å; A472-F631 HydrophobicContact CB-CZ 4.47Å; V478-F631 HydrophobicContact CB-CB 4.29Å; V479-F631 HydrophobicContact CG1-CB 4.3Å; V479-F631 HydrophobicContact CG1-CD1 3.92Å; V479-F631 HydrophobicContact CG2-CD1 3.86Å; V479-F631 HydrophobicContact CG2-CE1 4.28Å; M542-F631 HydrophobicContact CE-CE2 4.06Å; M542-F631 HydrophobicContact CE-CZ 4.4Å; M542-F631 HydrophobicContact SD-CE2 4.35Å; M542-F631 HydrophobicContact SD-CZ 4.14Å; F576-F631 HydrophobicContact CD2-CE2 4.49Å; F576-F631 HydrophobicContact CE1-CD2 4.43Å; F576-F631 AromaticContact CE1-CE2 3.99Å; F576-F631 HydrophobicContact CE1-CE2 3.99Å; F576-F631 AromaticContact CE2-CD2 3.87Å; F576-F631 HydrophobicContact CE2-CD2 3.87Å; F576-F631 AromaticContact CE2-CE2 3.72Å; F576-F631 HydrophobicContact CE2-CE2 3.72Å; F576-F631 HydrophobicContact CE2-CG 4.37Å; F576-F631 HydrophobicContact CE2-CZ 4.09Å; F576-F631 AromaticContact CZ-CD2 3.52Å; F576-F631 HydrophobicContact CZ-CD2 3.52Å; F576-F631 AromaticContact CZ-CE2 3.42Å; F576-F631 HydrophobicContact CZ-CE2 3.42Å; F576-F631 VanDerWaalsContact CZ-CE2 3.42Å; F576-F631 HydrophobicContact CZ-CG 4.39Å; F576-F631 HydrophobicContact CZ-CZ 4.21Å; A627-F631 WeakPolarHBondContact O-CB 3.42Å; A627-F631 VanDerWaalsContact O-CD2 3.26Å; A627-F631 WeakPolarHBondContact O-CD2 3.41Å; A627-F631 PolarHBondContact O-N 3.37Å; E629-F631 PolarHBondContact O-N 2.95Å; F631-M634 HydrophobicContact CB-CE 4.45Å; F631-M634 HydrophobicContact CD1-CE 3.6Å; F631-M634 HydrophobicContact CE1-CE 4Å; F631-M634 HydrophobicContact CG-CE 4.06Å
632	S	90.5	Very high	89	Confident	83 Å²	83	53.8 Å²	53.8	58%	0.58	26%	0.264	S	S	*	.	H	α-helix	trans	-78.3	-43.5	171.2	76.7	0	0	0	0	112	K628 E629 Y630 M634	K628-S632 WeakPolarHBondContact O-CB 3.31Å; K628-S632 PolarHBondContact O-N 2.82Å; E629-S632 PolarHBondContact O-N 2.85Å; E629-S632 PolarHBondContact O-OG 3.42Å; Y630-S632 VanDerWaalsContact C-N 3.28Å; Y630-S632 PolarHBondContact O-N 2.87Å; S632-M634 PolarHBondContact O-N 2.86Å
633	D	88.4	Confident	89.4	Confident	73 Å²	73	56 Å²	56	39%	0.39	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	59.2	166.3	-170.2	6.2	0	0	0	111.7	E629 Y630 N635 R636 H637	E629-D633 PolarHBondContact O-N 2.64Å; Y630-D633 CarbonylContact O-C 3.55Å; Y630-D633 PolarHBondContact O-N 3.27Å; D633-N635 PolarHBondContact O-N 2.94Å; D633-N635 WeakPolarHBondContact OD1-CB 3.15Å; D633-N635 PolarHBondContact OD1-N 3.13Å; D633-R636 PolarHBondContact O-N 3.04Å; D633-R636 PolarHBondContact OD1-N 2.82Å; D633-R636 WeakPolarHBondContact OD2-CB 3.32Å; D633-H637 PolarHBondContact O-N 3.21Å; D633-H637 PolarHBondContact O-ND1 2.93Å
634	M	85.8	Confident	89.4	Confident	22 Å²	22	55.6 Å²	55.6	11%	0.108	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-8.1	170.9	-173.8	56.6	68.4	0	0	112.8	V479 M540 F576 Y630 F631 S632 R638	V479-M634 HydrophobicContact CG1-CE 4.11Å; M540-M634 HydrophobicContact CE-SD 4.01Å; F576-M634 HydrophobicContact CD2-CE 4.27Å; F576-M634 HydrophobicContact CD2-SD 4.26Å; F576-M634 HydrophobicContact CE2-CE 3.81Å; F576-M634 HydrophobicContact CE2-SD 4.15Å; Y630-M634 PolarHBondContact O-N 3.48Å; F631-M634 HydrophobicContact CB-CE 4.45Å; F631-M634 HydrophobicContact CD1-CE 3.6Å; F631-M634 HydrophobicContact CE1-CE 4Å; F631-M634 HydrophobicContact CG-CE 4.06Å; S632-M634 PolarHBondContact O-N 2.86Å; M634-R638 WeakPolarHBondContact O-CB 3.5Å; M634-R638 PolarHBondContact O-N 2.79Å; M634-R638 HydrophobicContact SD-CB 4.05Å; M634-R638 PolarHBondContact SD-NE 2.95Å; M634-R638 VanDerWaalsContact SD-NE 3.41Å; M634-R638 PolarHBondContact SD-NH2 2.8Å
635	N	86.3	Confident	89.5	Confident	126 Å²	126	53 Å²	53	67%	0.674	26%	0.256	S	S	*	.	H	α-helix	trans	-87.2	-29.6	176.8	-72.4	-41.5	0	0	0	113.2	D633 R694	D633-N635 PolarHBondContact O-N 2.94Å; D633-N635 WeakPolarHBondContact OD1-CB 3.15Å; D633-N635 PolarHBondContact OD1-N 3.13Å; N635-R694 WeakPolarHBondContact O-CD 3.09Å; N635-R694 PolarHBondContact O-NE 3.28Å
636	R	87	Confident	89.6	Confident	17 Å²	17	54.4 Å²	54.4	6%	0.064	27%	0.268	C	S	.	.	H	α-helix	trans	-79.5	-46.1	168.7	174.5	54.6	177.3	159.4	-13.1	111.9	Y593 D633 R638 G690 K691	Y593-R636 HydrophobicContact CE1-CG 4.13Å; Y593-R636 HydrophobicContact CE2-CG 4.36Å; Y593-R636 WeakPolarHBondContact OH-CG 3.28Å; D633-R636 PolarHBondContact O-N 3.04Å; D633-R636 PolarHBondContact OD1-N 2.82Å; D633-R636 WeakPolarHBondContact OD2-CB 3.32Å; R636-R638 PolarHBondContact O-N 3.25Å; R636-G690 PolarHBondContact NH1-O 3Å; R636-G690 PolarHBondContact NH2-O 3.38Å; R636-K691 PolarHBondContact NH1-O 2.79Å
637	H	89.9	Confident	89.7	Confident	7 Å²	7	60.3 Å²	60.3	3%	0.032	30%	0.295	C	S	.	.	H	α-helix	trans	-77.7	-20.4	-169.5	-59.5	80.4	0	0	0	113.3	F576 I577 Y593 Y630 D633	F576-H637 CarbonylContact C-O 3.53Å; F576-H637 WeakPolarHBondContact CA-O 3.38Å; F576-H637 HydrophobicContact CD2-CB 4.17Å; F576-H637 HydrophobicContact CE1-CB 4.33Å; F576-H637 HydrophobicContact CE2-CB 3.75Å; F576-H637 HydrophobicContact CZ-CB 3.85Å; I577-H637 PolarHBondContact N-O 2.7Å; I577-H637 PolarHBondContact O-CD2 2.87Å; I577-H637 VanDerWaalsContact O-CD2 3.27Å; Y593-H637 PolarHBondContact OH-NE2 3.03Å; Y630-H637 AromaticContact CD1-CD2 3.93Å; Y630-H637 AromaticContact CD1-CE1 3.89Å; Y630-H637 AromaticContact CD1-NE2 3.22Å; Y630-H637 WeakPolarHBondContact CD1-NE2 3.43Å; Y630-H637 AromaticContact CG-CD2 3.88Å; Y630-H637 AromaticContact CG-NE2 3.64Å; Y630-H637 PolarHBondContact O-ND1 3.36Å; D633-H637 PolarHBondContact O-N 3.21Å; D633-H637 PolarHBondContact O-ND1 2.93Å
638	R	91.7	Very high	89.9	Confident	27 Å²	27	60.3 Å²	60.3	10%	0.102	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	110.8	178.6	-173.8	-174.4	-60.8	-129.5	4.9	112.5	Y484 M540 E574 E575 M634 R636	Y484-R638 PolarHBondContact OH-NH2 3.28Å; M540-R638 HydrophobicContact CE-CB 4.35Å; M540-R638 HydrophobicContact CE-CG 3.82Å; E574-R638 HydrophobicContact CB-CG 4.4Å; E574-R638 WeakPolarHBondContact OE2-CD 3.47Å; E574-R638 IonicContact OE2-CZ 3.09Å; E574-R638 IonicContact OE2-NE 2.68Å; E574-R638 IonicContact OE2-NH1 2.91Å; E574-R638 PolarHBondContact OE2-NH1 3.42Å; E575-R638 WeakPolarHBondContact O-CA 3.45Å; M634-R638 WeakPolarHBondContact O-CB 3.5Å; M634-R638 PolarHBondContact O-N 2.79Å; M634-R638 HydrophobicContact SD-CB 4.05Å; M634-R638 PolarHBondContact SD-NE 2.95Å; M634-R638 VanDerWaalsContact SD-NE 3.41Å; M634-R638 PolarHBondContact SD-NH2 2.8Å; R636-R638 PolarHBondContact O-N 3.25Å
639	I	92.3	Very high	90	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	144.1	167.9	-52	-55.3	0	0	0	109.3	E574 E575 I577 Y689 T693 I696	E574-I639 CarbonylContact C-O 3.58Å; E574-I639 WeakPolarHBondContact CA-O 3.49Å; E575-I639 HydrophobicContact CB-CB 4.37Å; E575-I639 PolarHBondContact N-O 3.21Å; E575-I639 PolarHBondContact O-N 2.68Å; I577-I639 HydrophobicContact CD1-CD1 3.93Å; I577-I639 HydrophobicContact CD1-CG1 3.86Å; I577-I639 HydrophobicContact CG1-CG1 4.12Å; I577-I639 HydrophobicContact CG2-CG1 3.92Å; I639-Y689 HydrophobicContact CG1-CD1 4.28Å; I639-Y689 HydrophobicContact CG1-CE1 4.07Å; I639-Y689 HydrophobicContact CG2-CE1 4.4Å; I639-T693 HydrophobicContact CD1-CG2 4.3Å; I639-T693 VanDerWaalsContact CD1-O 3.26Å; I639-T693 WeakPolarHBondContact CD1-O 3.28Å; I639-I696 HydrophobicContact CG2-CB 4.5Å; I639-I696 HydrophobicContact CG2-CD1 4Å; I639-I696 HydrophobicContact CG2-CG1 3.89Å; I639-I696 HydrophobicContact CG2-CG2 4.04Å
640	R	93.2	Very high	90.1	Very high	127 Å²	127	53.7 Å²	53.7	48%	0.479	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.2	178.5	-53.2	-169.9	-172.6	149.8	10.2	111.2	E574 R694 A695 I696	E574-R640 HydrophobicContact CG-CB 4.49Å; E574-R640 HydrophobicContact CG-CG 4.14Å; E574-R640 VanDerWaalsContact OE1-CD 3.29Å; E574-R640 WeakPolarHBondContact OE1-CD 3.45Å; E574-R640 WeakPolarHBondContact OE1-CG 3.49Å; E574-R640 IonicContact OE1-NE 3.79Å; E574-R640 PolarHBondContact OE1-NE 2.85Å; R640-R694 PolarHBondContact N-O 3.45Å; R640-A695 HydrophobicContact CB-CB 4.41Å; R640-A695 CarbonylContact O-C 3.49Å; R640-A695 WeakPolarHBondContact O-CA 3.41Å; R640-A695 WeakPolarHBondContact O-CB 3.49Å; R640-I696 PolarHBondContact O-N 2.85Å
641	F	93.7	Very high	90.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	141.1	167	-69.8	-90.1	0	0	0	110.2	I557 N571 V573 E575 I696 Y698 F701	I557-F641 HydrophobicContact CD1-CD1 4.4Å; I557-F641 HydrophobicContact CD1-CE1 3.73Å; I557-F641 HydrophobicContact CD1-CE2 4.35Å; I557-F641 HydrophobicContact CD1-CZ 3.72Å; N571-F641 PolarHBondContact OD1-O 3.01Å; V573-F641 HydrophobicContact CB-CD2 4.1Å; V573-F641 HydrophobicContact CG1-CD2 3.7Å; V573-F641 HydrophobicContact CG1-CE2 4.02Å; V573-F641 PolarHBondContact O-N 3.41Å; E575-F641 HydrophobicContact CB-CE2 4.09Å; F641-I696 CarbonylContact C-O 3.56Å; F641-I696 WeakPolarHBondContact CA-O 3.3Å; F641-I696 HydrophobicContact CD1-CD1 4.11Å; F641-I696 HydrophobicContact CD1-CG1 3.9Å; F641-I696 HydrophobicContact CE1-CD1 3.57Å; F641-I696 HydrophobicContact CE1-CG1 3.9Å; F641-I696 HydrophobicContact CE2-CD1 4.45Å; F641-I696 HydrophobicContact CG-CG1 4.41Å; F641-I696 HydrophobicContact CZ-CD1 3.76Å; F641-I696 HydrophobicContact CZ-CG1 4.4Å; F641-Y698 HydrophobicContact CB-CD1 4.31Å; F641-Y698 HydrophobicContact CB-CE1 3.57Å; F641-Y698 HydrophobicContact CB-CE2 4.23Å; F641-Y698 AromaticContact CD1-CD1 3.52Å; F641-Y698 HydrophobicContact CD1-CD1 3.52Å; F641-Y698 AromaticContact CD1-CE1 3.54Å; F641-Y698 HydrophobicContact CD1-CE1 3.54Å; F641-Y698 HydrophobicContact CD1-CG 4.29Å; F641-Y698 HydrophobicContact CE1-CD1 4.17Å; F641-Y698 HydrophobicContact CE1-CE1 4.41Å; F641-Y698 HydrophobicContact CG-CD1 4.13Å; F641-Y698 AromaticContact CG-CE1 3.64Å; F641-Y698 HydrophobicContact CG-CE1 3.64Å; F641-F701 HydrophobicContact CE1-CB 3.83Å; F641-F701 HydrophobicContact CE1-CD1 4.47Å; F641-F701 HydrophobicContact CE1-CD2 4.2Å; F641-F701 AromaticContact CE1-CG 3.88Å; F641-F701 HydrophobicContact CE1-CG 3.88Å; F641-F701 HydrophobicContact CZ-CD2 4.26Å; F641-F701 HydrophobicContact CZ-CG 4.37Å
642	R	91.6	Very high	90.3	Very high	157 Å²	157	53.6 Å²	53.6	59%	0.592	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.7	173.1	-68	-176	-176.2	-174.1	5.3	109.3	N571 S644 A695 I696	N571-R642 WeakPolarHBondContact OD1-CA 3.45Å; R642-S644 PolarHBondContact O-N 3.22Å; R642-A695 HydrophobicContact CG-CB 4.15Å; R642-I696 PolarHBondContact N-O 2.9Å
643	Y	91.1	Very high	90.4	Very high	56 Å²	56	52.6 Å²	52.6	22%	0.22	26%	0.261	C	S	.	.			trans	-70.1	122.4	168.8	-176.7	-91.4	0	0	0	110.1	K569 N571 G645 D648 D649 Y698	K569-Y643 HydrophobicContact CB-CD1 4.31Å; K569-Y643 HydrophobicContact CB-CG 4.35Å; K569-Y643 HydrophobicContact CD-CE1 4.15Å; K569-Y643 HydrophobicContact CG-CD1 3.81Å; K569-Y643 HydrophobicContact CG-CD2 3.95Å; K569-Y643 HydrophobicContact CG-CE1 3.89Å; K569-Y643 HydrophobicContact CG-CE2 4.04Å; K569-Y643 HydrophobicContact CG-CG 3.83Å; N571-Y643 PolarHBondContact OD1-N 2.91Å; Y643-G645 WeakPolarHBondContact CE2-O 3.43Å; Y643-G645 PolarHBondContact OH-O 2.75Å; Y643-D648 WeakPolarHBondContact CA-OD2 3.46Å; Y643-D648 HydrophobicContact CD2-CB 4.21Å; Y643-D648 HydrophobicContact CE2-CB 4.22Å; Y643-D649 PolarHBondContact OH-OD2 3.34Å; Y643-Y698 HydrophobicContact CD2-CE2 4.47Å
644	S	87.6	Confident	90.6	Very high	66 Å²	66	50.2 Å²	50.2	46%	0.462	25%	0.248	S	C	.	.			trans	-97.3	-39.2	-177	62.1	0	0	0	0	112.7	R642 D648	R642-S644 PolarHBondContact O-N 3.22Å; S644-D648 PolarHBondContact N-OD2 3.3Å; S644-D648 PolarHBondContact OG-OD1 3.11Å; S644-D648 PolarHBondContact OG-OD2 2.85Å
645	G	87.8	Confident	90.8	Very high	20 Å²	20	49.8 Å²	49.8	21%	0.206	25%	0.247	C	C	.	.	S	Bend	trans	167.2	-159.8	-175.6	0	0	0	0	0	113.7	Y643 E647 D648	Y643-G645 WeakPolarHBondContact CE2-O 3.43Å; Y643-G645 PolarHBondContact OH-O 2.75Å; G645-E647 PolarHBondContact O-N 3.13Å; G645-D648 PolarHBondContact O-N 3.28Å
646	I	88.6	Confident	91	Very high	146 Å²	146	44.4 Å²	44.4	75%	0.749	22%	0.218	S	C	*	.	H	α-helix	trans	-66.5	-23.7	-179.1	-61.4	170.4	0	0	0	111.4	D648 D649 G650	I646-D648 PolarHBondContact O-N 3.46Å; I646-D649 PolarHBondContact O-N 3.23Å; I646-G650 PolarHBondContact O-N 3Å
647	E	90.5	Very high	91.1	Very high	141 Å²	141	45 Å²	45	66%	0.659	22%	0.223	S	C	*	.	H	α-helix	trans	-58.6	-44.1	175.9	-68.5	164.7	-172	0	0	111.6	G645 D649 G650 S651	G645-E647 PolarHBondContact O-N 3.13Å; E647-D649 PolarHBondContact O-N 3.21Å; E647-G650 CarbonylContact O-C 3.59Å; E647-G650 WeakPolarHBondContact O-CA 3.4Å; E647-G650 PolarHBondContact O-N 2.93Å; E647-G650 VanDerWaalsContact O-N 3.08Å; E647-S651 PolarHBondContact O-N 3.1Å; E647-S651 PolarHBondContact O-OG 2.85Å
648	D	92	Very high	90.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-58.1	-47.3	173.9	-75.2	-32.2	0	0	0	112.4	Y643 S644 G645 I646 G650 S651 I652 Y698 H699	Y643-D648 WeakPolarHBondContact CA-OD2 3.46Å; Y643-D648 HydrophobicContact CD2-CB 4.21Å; Y643-D648 HydrophobicContact CE2-CB 4.22Å; S644-D648 PolarHBondContact N-OD2 3.3Å; S644-D648 PolarHBondContact OG-OD1 3.11Å; S644-D648 PolarHBondContact OG-OD2 2.85Å; G645-D648 PolarHBondContact O-N 3.28Å; I646-D648 PolarHBondContact O-N 3.46Å; D648-G650 PolarHBondContact O-N 3.42Å; D648-S651 PolarHBondContact O-N 3.3Å; D648-I652 WeakPolarHBondContact O-CD1 3.42Å; D648-I652 VanDerWaalsContact O-CG1 3.26Å; D648-I652 WeakPolarHBondContact O-CG1 3.42Å; D648-I652 PolarHBondContact O-N 2.65Å; D648-Y698 HydrophobicContact CB-CD2 4.09Å; D648-Y698 HydrophobicContact CB-CG 4.48Å; D648-Y698 WeakPolarHBondContact OD1-CA 3.38Å; D648-Y698 WeakPolarHBondContact OD1-CB 3.45Å; D648-Y698 PolarHBondContact OD1-N 3.49Å; D648-H699 WeakPolarHBondContact OD1-CB 3.17Å; D648-H699 PolarHBondContact OD1-N 2.66Å
649	D	91.1	Very high	90.5	Very high	22 Å²	22	54.5 Å²	54.5	12%	0.118	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-36.1	176.7	-64.6	-41.3	0	0	0	110.5	H561 Y643 I646 E647 Q653	H561-D649 IonicContact CD2-OD1 2.64Å; H561-D649 PolarHBondContact CE1-O 3.31Å; H561-D649 IonicContact NE2-OD1 3.73Å; H561-D649 PolarHBondContact NE2-OD1 3.22Å; Y643-D649 PolarHBondContact OH-OD2 3.34Å; I646-D649 PolarHBondContact O-N 3.23Å; E647-D649 PolarHBondContact O-N 3.21Å; D649-Q653 WeakPolarHBondContact O-CG 3.38Å; D649-Q653 PolarHBondContact O-N 3.08Å; D649-Q653 PolarHBondContact O-NE2 3.02Å
650	G	91.9	Very high	90.3	Very high	25 Å²	25	56.7 Å²	56.7	26%	0.258	29%	0.286	S	S	.	.	H	α-helix	trans	-66.2	-48.7	176.1	0	0	0	0	0	113.6	I646 E647 D648 Q653 L654	I646-G650 PolarHBondContact O-N 3Å; E647-G650 CarbonylContact O-C 3.59Å; E647-G650 WeakPolarHBondContact O-CA 3.4Å; E647-G650 PolarHBondContact O-N 2.93Å; E647-G650 VanDerWaalsContact O-N 3.08Å; D648-G650 PolarHBondContact O-N 3.42Å; G650-Q653 WeakPolarHBondContact O-CB 3.37Å; G650-Q653 PolarHBondContact O-N 3.26Å; G650-L654 PolarHBondContact O-N 3.36Å
651	S	93.2	Very high	89.9	Confident	9 Å²	9	53.8 Å²	53.8	6%	0.063	28%	0.28	C	S	.	.	H	α-helix	trans	-66.2	-40	178.5	-60.8	0	0	0	0	112.2	E647 D648 Q653 L654 A655 H703	E647-S651 PolarHBondContact O-N 3.1Å; E647-S651 PolarHBondContact O-OG 2.85Å; D648-S651 PolarHBondContact O-N 3.3Å; S651-Q653 VanDerWaalsContact C-N 3.3Å; S651-Q653 PolarHBondContact O-N 2.92Å; S651-L654 WeakPolarHBondContact O-CB 3.26Å; S651-L654 PolarHBondContact O-N 2.57Å; S651-A655 PolarHBondContact O-N 3.01Å; S651-A655 VanDerWaalsContact O-N 3.1Å; S651-H703 PolarHBondContact OG-CD2 3.23Å; S651-H703 PolarHBondContact OG-NE2 3.46Å
652	I	92.9	Very high	89.6	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-66.2	-34.5	174.8	-58.3	160.2	0	0	0	110.8	I557 N558 H561 L568 D648 F656 Y698	I557-I652 HydrophobicContact CG2-CD1 3.73Å; I557-I652 HydrophobicContact CG2-CG1 4.05Å; N558-I652 HydrophobicContact CB-CG2 4.03Å; H561-I652 HydrophobicContact CB-CD1 4.37Å; H561-I652 HydrophobicContact CB-CG2 4.15Å; H561-I652 WeakPolarHBondContact ND1-CB 3.4Å; H561-I652 WeakPolarHBondContact ND1-CG2 3.38Å; L568-I652 HydrophobicContact CD1-CD1 3.85Å; D648-I652 WeakPolarHBondContact O-CD1 3.42Å; D648-I652 VanDerWaalsContact O-CG1 3.26Å; D648-I652 WeakPolarHBondContact O-CG1 3.42Å; D648-I652 PolarHBondContact O-N 2.65Å; I652-F656 HydrophobicContact CG2-CD2 4.18Å; I652-F656 WeakPolarHBondContact O-CD2 3.4Å; I652-F656 PolarHBondContact O-N 2.94Å; I652-Y698 HydrophobicContact CD1-CD1 4.41Å; I652-Y698 HydrophobicContact CD1-CG 4.16Å
653	Q	91.7	Very high	89.5	Confident	62 Å²	62	53 Å²	53	29%	0.29	30%	0.296	S	S	.	.	H	α-helix	trans	-67.4	-43	171.9	-73.8	166.9	28.7	0	0	112.1	D649 G650 S651 A655 F656 D657 K660	D649-Q653 WeakPolarHBondContact O-CG 3.38Å; D649-Q653 PolarHBondContact O-N 3.08Å; D649-Q653 PolarHBondContact O-NE2 3.02Å; G650-Q653 WeakPolarHBondContact O-CB 3.37Å; G650-Q653 PolarHBondContact O-N 3.26Å; S651-Q653 VanDerWaalsContact C-N 3.3Å; S651-Q653 PolarHBondContact O-N 2.92Å; Q653-A655 VanDerWaalsContact C-N 3.27Å; Q653-A655 PolarHBondContact O-N 3.37Å; Q653-F656 PolarHBondContact O-N 3.24Å; Q653-D657 WeakPolarHBondContact O-CB 3.48Å; Q653-D657 PolarHBondContact O-N 2.87Å; Q653-K660 HydrophobicContact CB-CD 4.29Å
654	L	92.3	Very high	89.5	Confident	23 Å²	23	51.8 Å²	51.8	12%	0.12	29%	0.291	C	S	.	.	H	α-helix	trans	-54	-45.5	176.8	174.7	65.1	0	0	0	111.3	G650 S651 D663 R664 W667	G650-L654 PolarHBondContact O-N 3.36Å; S651-L654 WeakPolarHBondContact O-CB 3.26Å; S651-L654 PolarHBondContact O-N 2.57Å; L654-D663 HydrophobicContact CD1-CB 3.4Å; L654-R664 HydrophobicContact CD1-CB 4.38Å; L654-R664 VanDerWaalsContact O-CZ 3.27Å; L654-R664 PolarHBondContact O-NE 3.39Å; L654-R664 PolarHBondContact O-NH2 2.66Å; L654-W667 HydrophobicContact CD2-CB 4.24Å; L654-W667 HydrophobicContact CD2-CD2 4.16Å; L654-W667 HydrophobicContact CD2-CG 4.08Å
655	A	90.5	Very high	89.4	Confident	12 Å²	12	52.1 Å²	52.1	10%	0.099	28%	0.284	C	S	.	.	H	α-helix	trans	-70.2	-37.3	-179.8	0	0	0	0	0	114.3	S651 Q653 R664 V702 L706	S651-A655 PolarHBondContact O-N 3.01Å; S651-A655 VanDerWaalsContact O-N 3.1Å; Q653-A655 VanDerWaalsContact C-N 3.27Å; Q653-A655 PolarHBondContact O-N 3.37Å; A655-R664 PolarHBondContact O-NE 2.85Å; A655-R664 PolarHBondContact O-NH2 3.34Å; A655-V702 HydrophobicContact CB-CG1 4.37Å; A655-L706 HydrophobicContact CB-CD2 3.64Å
656	F	90.7	Very high	89.5	Confident	13 Å²	13	54.2 Å²	54.2	6%	0.057	29%	0.291	C	S	.	.	H	α-helix	trans	-120.6	-8	-165.5	-66.8	-73.6	0	0	0	117.3	N495 G554 L555 N558 I652 Q653 L706	N495-F656 PolarHBondContact ND2-O 3.42Å; G554-F656 WeakPolarHBondContact O-CE2 3.3Å; G554-F656 WeakPolarHBondContact O-CZ 3.35Å; L555-F656 HydrophobicContact CD2-CD1 4.1Å; L555-F656 HydrophobicContact CD2-CE1 3.65Å; L555-F656 HydrophobicContact CG-CE1 4Å; N558-F656 HydrophobicContact CB-CB 4.14Å; N558-F656 HydrophobicContact CB-CD1 4.33Å; N558-F656 HydrophobicContact CB-CD2 3.56Å; N558-F656 HydrophobicContact CB-CE2 4.04Å; N558-F656 HydrophobicContact CB-CG 3.73Å; N558-F656 VanDerWaalsContact CG-CB 3.49Å; N558-F656 WeakPolarHBondContact ND2-CB 3.4Å; I652-F656 HydrophobicContact CG2-CD2 4.18Å; I652-F656 WeakPolarHBondContact O-CD2 3.4Å; I652-F656 PolarHBondContact O-N 2.94Å; Q653-F656 PolarHBondContact O-N 3.24Å; F656-L706 HydrophobicContact CE2-CD2 3.67Å; F656-L706 HydrophobicContact CZ-CD1 4.49Å; F656-L706 HydrophobicContact CZ-CD2 3.76Å
657	D	87.9	Confident	89.5	Confident	31 Å²	31	48.6 Å²	48.6	17%	0.166	26%	0.26	C	S	.	.			trans	-89.5	131.8	179.4	-160.6	-63.6	0	0	0	111.6	R497 Q653 S659 K660 R664	R497-D657 WeakPolarHBondContact CD-OD2 3.35Å; R497-D657 IonicContact NH1-OD2 3.26Å; Q653-D657 WeakPolarHBondContact O-CB 3.48Å; Q653-D657 PolarHBondContact O-N 2.87Å; D657-S659 VanDerWaalsContact C-N 3.26Å; D657-S659 PolarHBondContact O-N 3.06Å; D657-S659 VanDerWaalsContact OD1-CB 3.31Å; D657-S659 WeakPolarHBondContact OD1-CB 3.36Å; D657-S659 PolarHBondContact OD1-N 3.49Å; D657-S659 PolarHBondContact OD1-OG 2.97Å; D657-K660 HydrophobicContact CB-CG 4.49Å; D657-K660 PolarHBondContact O-N 3.08Å; D657-R664 PolarHBondContact O-NH2 3.16Å
658	K	84	Confident	89.3	Confident	138 Å²	138	42 Å²	42	60%	0.6	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-74.3	-14.2	-179.6	-171.1	168	-178.3	166.9	0	113.4	E498 K660 I661	E498-K658 HydrophobicContact CG-CB 4.04Å; E498-K658 WeakPolarHBondContact OE1-CB 3.26Å; E498-K658 PolarHBondContact OE1-N 2.95Å; E498-K658 VanDerWaalsContact OE2-CB 3.26Å; E498-K658 WeakPolarHBondContact OE2-CB 3.42Å; K658-K660 VanDerWaalsContact C-N 3.33Å; K658-I661 HydrophobicContact CG-CD1 4Å; K658-I661 WeakPolarHBondContact O-CD1 3.24Å; K658-I661 WeakPolarHBondContact O-CG1 3.44Å
659	S	86.1	Confident	88.9	Confident	95 Å²	95	44.1 Å²	44.1	66%	0.664	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-71.9	-26.9	172.8	64.6	0	0	0	0	113.1	D657 I661	D657-S659 VanDerWaalsContact C-N 3.26Å; D657-S659 PolarHBondContact O-N 3.06Å; D657-S659 VanDerWaalsContact OD1-CB 3.31Å; D657-S659 WeakPolarHBondContact OD1-CB 3.36Å; D657-S659 PolarHBondContact OD1-N 3.49Å; D657-S659 PolarHBondContact OD1-OG 2.97Å; S659-I661 PolarHBondContact O-N 3.3Å
660	K	87.8	Confident	88.7	Confident	45 Å²	45	47.9 Å²	47.9	20%	0.196	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-94.1	31.8	-174.2	-62.2	-165.2	178.3	-173.7	0	114.6	Q653 D657 K658 D663 R664	Q653-K660 HydrophobicContact CB-CD 4.29Å; D657-K660 HydrophobicContact CB-CG 4.49Å; D657-K660 PolarHBondContact O-N 3.08Å; K658-K660 VanDerWaalsContact C-N 3.33Å; K660-D663 HydrophobicContact CB-CB 4.2Å; K660-D663 WeakPolarHBondContact CB-OD2 3.43Å; K660-D663 WeakPolarHBondContact CD-OD2 3.38Å; K660-D663 WeakPolarHBondContact CG-OD2 3.22Å; K660-R664 WeakPolarHBondContact O-CB 3.2Å; K660-R664 PolarHBondContact O-N 2.86Å
661	I	85.9	Confident	88.4	Confident	67 Å²	67	48.1 Å²	48.1	34%	0.344	26%	0.256	S	S	.	.	H	α-helix	trans	-63.8	-41.2	179.7	-69.6	166.3	0	0	0	111.4	K658 S659 R664 K665	K658-I661 HydrophobicContact CG-CD1 4Å; K658-I661 WeakPolarHBondContact O-CD1 3.24Å; K658-I661 WeakPolarHBondContact O-CG1 3.44Å; S659-I661 PolarHBondContact O-N 3.3Å; I661-R664 PolarHBondContact O-N 3.38Å; I661-K665 PolarHBondContact O-N 2.93Å
662	A	86.6	Confident	87.7	Confident	62 Å²	62	48.4 Å²	48.4	51%	0.512	26%	0.258	S	S	.	.	H	α-helix	trans	-64	-50.3	177.6	0	0	0	0	0	111.5	R664 K665 N666	A662-R664 PolarHBondContact O-N 3.4Å; A662-K665 WeakPolarHBondContact O-CB 3.18Å; A662-K665 PolarHBondContact O-N 3.32Å; A662-K665 VanDerWaalsContact O-N 3.15Å; A662-N666 PolarHBondContact O-N 3.46Å
663	D	89.6	Confident	87.1	Confident	79 Å²	79	52 Å²	52	42%	0.422	27%	0.274	S	S	.	.	H	α-helix	trans	-53.5	-41.3	174.1	-46.4	-9.5	0	0	0	111.6	L654 K660 N666 W667	L654-D663 HydrophobicContact CD1-CB 3.4Å; K660-D663 HydrophobicContact CB-CB 4.2Å; K660-D663 WeakPolarHBondContact CB-OD2 3.43Å; K660-D663 WeakPolarHBondContact CD-OD2 3.38Å; K660-D663 WeakPolarHBondContact CG-OD2 3.22Å; D663-N666 PolarHBondContact O-N 3.2Å; D663-W667 WeakPolarHBondContact O-CB 3.48Å; D663-W667 PolarHBondContact O-N 3.25Å
664	R	89.9	Confident	86.7	Confident	29 Å²	29	52 Å²	52	11%	0.109	27%	0.274	C	S	.	.	H	α-helix	trans	-69.1	-41.1	179.5	-165.4	-179.8	-56.8	140.3	18.4	112.4	L654 A655 D657 K660 I661 A662 W667 L668	L654-R664 HydrophobicContact CD1-CB 4.38Å; L654-R664 VanDerWaalsContact O-CZ 3.27Å; L654-R664 PolarHBondContact O-NE 3.39Å; L654-R664 PolarHBondContact O-NH2 2.66Å; A655-R664 PolarHBondContact O-NE 2.85Å; A655-R664 PolarHBondContact O-NH2 3.34Å; D657-R664 PolarHBondContact O-NH2 3.16Å; K660-R664 WeakPolarHBondContact O-CB 3.2Å; K660-R664 PolarHBondContact O-N 2.86Å; I661-R664 PolarHBondContact O-N 3.38Å; A662-R664 PolarHBondContact O-N 3.4Å; R664-W667 HydrophobicContact CG-CE3 3.71Å; R664-W667 HydrophobicContact CG-CZ3 3.94Å; R664-W667 PolarHBondContact O-N 3.48Å; R664-L668 HydrophobicContact CG-CD1 4.21Å; R664-L668 VanDerWaalsContact O-CG 3.28Å; R664-L668 WeakPolarHBondContact O-CG 3.41Å; R664-L668 PolarHBondContact O-N 2.82Å; R664-L668 VanDerWaalsContact O-N 3.08Å
665	K	87	Confident	86	Confident	73 Å²	73	55.5 Å²	55.5	32%	0.317	29%	0.286	S	S	.	.	H	α-helix	trans	-56.8	-52.7	171.3	-76.6	-168.1	169.5	-168.5	0	110.4	I661 A662 W667 L668 T669 G862 Y863	I661-K665 PolarHBondContact O-N 2.93Å; A662-K665 WeakPolarHBondContact O-CB 3.18Å; A662-K665 PolarHBondContact O-N 3.32Å; A662-K665 VanDerWaalsContact O-N 3.15Å; K665-W667 VanDerWaalsContact C-N 3.3Å; K665-W667 PolarHBondContact O-N 3.08Å; K665-L668 PolarHBondContact O-N 3.25Å; K665-T669 PolarHBondContact O-N 2.99Å; K665-T669 PolarHBondContact O-OG1 3.28Å; K665-G862 WeakPolarHBondContact CE-O 3.43Å; K665-Y863 HydrophobicContact CB-CE2 4.14Å; K665-Y863 HydrophobicContact CD-CD1 4.39Å; K665-Y863 HydrophobicContact CD-CE1 3.99Å; K665-Y863 HydrophobicContact CD-CE2 4.5Å; K665-Y863 HydrophobicContact CG-CD2 4.28Å; K665-Y863 HydrophobicContact CG-CE1 4.14Å; K665-Y863 HydrophobicContact CG-CE2 3.76Å; K665-Y863 PolarHBondContact O-OH 2.72Å
666	N	88.7	Confident	85.4	Confident	65 Å²	65	58 Å²	58	35%	0.348	30%	0.295	S	S	.	.	H	α-helix	trans	-58.9	-40.5	179.9	-67.7	-4.6	0	0	0	112.2	A662 D663 L668 N670 L1267	A662-N666 PolarHBondContact O-N 3.46Å; D663-N666 PolarHBondContact O-N 3.2Å; N666-L668 PolarHBondContact O-N 3.4Å; N666-N670 VanDerWaalsContact O-CB 3.26Å; N666-N670 WeakPolarHBondContact O-CB 3.47Å; N666-N670 PolarHBondContact O-N 3.08Å; N666-N670 PolarHBondContact O-ND2 3.35Å; N666-N670 PolarHBondContact O-OD1 3.02Å; N666-L1267 WeakPolarHBondContact ND2-CD1 3.4Å
667	W	89.6	Confident	84.9	Confident	27 Å²	27	63.8 Å²	63.8	10%	0.102	32%	0.316	C	S	.	.	H	α-helix	trans	-60.6	-41.5	174.4	166.1	51.6	0	0	0	113.2	L654 D663 R664 K665 F671 V702 H703 V707	L654-W667 HydrophobicContact CD2-CB 4.24Å; L654-W667 HydrophobicContact CD2-CD2 4.16Å; L654-W667 HydrophobicContact CD2-CG 4.08Å; D663-W667 WeakPolarHBondContact O-CB 3.48Å; D663-W667 PolarHBondContact O-N 3.25Å; R664-W667 HydrophobicContact CG-CE3 3.71Å; R664-W667 HydrophobicContact CG-CZ3 3.94Å; R664-W667 PolarHBondContact O-N 3.48Å; K665-W667 VanDerWaalsContact C-N 3.3Å; K665-W667 PolarHBondContact O-N 3.08Å; W667-F671 WeakPolarHBondContact O-CB 3.32Å; W667-F671 PolarHBondContact O-N 3.26Å; W667-V702 HydrophobicContact CH2-CG1 4.18Å; W667-V702 HydrophobicContact CZ2-CG1 3.88Å; W667-V702 WeakPolarHBondContact CZ2-O 3.47Å; W667-H703 AromaticContact CD1-ND1 3.61Å; W667-H703 AromaticContact CE2-ND1 3.76Å; W667-H703 AromaticContact NE1-CE1 3.93Å; W667-H703 AromaticContact NE1-ND1 3.12Å; W667-H703 PolarHBondContact NE1-ND1 2.95Å; W667-H703 VanDerWaalsContact NE1-ND1 3.12Å; W667-V707 HydrophobicContact CH2-CB 4.18Å; W667-V707 HydrophobicContact CH2-CG2 4.33Å; W667-V707 HydrophobicContact CZ2-CB 3.51Å; W667-V707 HydrophobicContact CZ2-CG2 3.67Å
668	L	87	Confident	84.6	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-75.1	-38.9	179.4	-62.8	167.4	0	0	0	112.3	R664 K665 N666 F671 T672 V707 S710 N711 T861 Y863	R664-L668 HydrophobicContact CG-CD1 4.21Å; R664-L668 VanDerWaalsContact O-CG 3.28Å; R664-L668 WeakPolarHBondContact O-CG 3.41Å; R664-L668 PolarHBondContact O-N 2.82Å; R664-L668 VanDerWaalsContact O-N 3.08Å; K665-L668 PolarHBondContact O-N 3.25Å; N666-L668 PolarHBondContact O-N 3.4Å; L668-F671 PolarHBondContact O-N 2.91Å; L668-T672 WeakPolarHBondContact O-CB 3.47Å; L668-T672 PolarHBondContact O-N 3.3Å; L668-T672 PolarHBondContact O-OG1 3.35Å; L668-V707 HydrophobicContact CD2-CG2 4.08Å; L668-S710 VanDerWaalsContact CD2-CB 3.41Å; L668-N711 WeakPolarHBondContact CD2-OD1 3.41Å; L668-T861 HydrophobicContact CD1-CG2 4.33Å; L668-T861 WeakPolarHBondContact CD1-O 3.22Å; L668-Y863 HydrophobicContact CB-CE2 4.47Å; L668-Y863 HydrophobicContact CD1-CE2 4.32Å
669	T	83.6	Confident	84	Confident	45 Å²	45	64.8 Å²	64.8	28%	0.276	31%	0.314	S	S	.	.	H	α-helix	trans	-58	-51.4	170	-58.2	0	0	0	0	110.4	K665 F671 T672 Q673 Y863	K665-T669 PolarHBondContact O-N 2.99Å; K665-T669 PolarHBondContact O-OG1 3.28Å; T669-F671 VanDerWaalsContact C-N 3.34Å; T669-F671 PolarHBondContact O-N 3.15Å; T669-T672 PolarHBondContact O-N 3.25Å; T669-Q673 HydrophobicContact CG2-CG 4.38Å; T669-Q673 WeakPolarHBondContact O-CB 3.36Å; T669-Q673 WeakPolarHBondContact O-CG 3.13Å; T669-Q673 PolarHBondContact O-N 3.5Å; T669-Y863 PolarHBondContact OG1-OH 2.98Å; T669-Y863 VanDerWaalsContact OG1-OH 3.05Å
670	N	85.9	Confident	83.4	Confident	101 Å²	101	66 Å²	66	54%	0.54	31%	0.309	S	S	.	.	H	α-helix	trans	-62.4	-39.6	-179.2	-68.4	-4.2	0	0	0	112.1	N666 E674	N666-N670 VanDerWaalsContact O-CB 3.26Å; N666-N670 WeakPolarHBondContact O-CB 3.47Å; N666-N670 PolarHBondContact O-N 3.08Å; N666-N670 PolarHBondContact O-ND2 3.35Å; N666-N670 PolarHBondContact O-OD1 3.02Å; N670-E674 WeakPolarHBondContact O-CB 3.31Å; N670-E674 PolarHBondContact O-N 3.25Å
671	F	84.7	Confident	83.1	Confident	30 Å²	30	68.5 Å²	68.5	13%	0.132	32%	0.324	C	S	.	.	H	α-helix	trans	-63.4	-44.5	174.5	177.7	-96.7	0	0	0	111.6	W667 L668 T669 E674 R675 V707 L708	W667-F671 WeakPolarHBondContact O-CB 3.32Å; W667-F671 PolarHBondContact O-N 3.26Å; L668-F671 PolarHBondContact O-N 2.91Å; T669-F671 VanDerWaalsContact C-N 3.34Å; T669-F671 PolarHBondContact O-N 3.15Å; F671-E674 PolarHBondContact O-N 3.49Å; F671-R675 WeakPolarHBondContact O-CB 3.46Å; F671-R675 PolarHBondContact O-N 2.74Å; F671-V707 HydrophobicContact CB-CG2 3.8Å; F671-V707 HydrophobicContact CD1-CG2 3.74Å; F671-V707 HydrophobicContact CD2-CB 4.38Å; F671-V707 HydrophobicContact CD2-CG1 3.81Å; F671-V707 HydrophobicContact CD2-CG2 3.69Å; F671-V707 HydrophobicContact CE1-CG1 4.32Å; F671-V707 HydrophobicContact CE1-CG2 4.28Å; F671-V707 HydrophobicContact CE2-CG1 3.54Å; F671-V707 HydrophobicContact CE2-CG2 4.23Å; F671-V707 HydrophobicContact CG-CG1 4.32Å; F671-V707 HydrophobicContact CG-CG2 3.43Å; F671-V707 VanDerWaalsContact CG-CG2 3.43Å; F671-V707 HydrophobicContact CZ-CG1 3.83Å; F671-L708 HydrophobicContact CE1-CD2 4.22Å; F671-L708 HydrophobicContact CE2-CD2 4.49Å; F671-L708 HydrophobicContact CZ-CD2 3.62Å
672	T	79.7	Confident	82.4	Confident	15 Å²	15	68.4 Å²	68.4	9%	0.092	34%	0.34	C	S	.	.	H	α-helix	trans	-68.2	-36.7	-179.7	-49.8	0	0	0	0	111.7	L668 T669 R675 K676 N711	L668-T672 WeakPolarHBondContact O-CB 3.47Å; L668-T672 PolarHBondContact O-N 3.3Å; L668-T672 PolarHBondContact O-OG1 3.35Å; T669-T672 PolarHBondContact O-N 3.25Å; T672-R675 WeakPolarHBondContact O-CB 3.37Å; T672-R675 PolarHBondContact O-N 3.34Å; T672-K676 PolarHBondContact O-N 2.77Å; T672-N711 PolarHBondContact OG1-ND2 2.97Å
673	Q	80.7	Confident	81.8	Confident	77 Å²	77	69.6 Å²	69.6	36%	0.36	34%	0.337	S	S	.	.	H	α-helix	trans	-66.5	-45.2	173.1	-73.6	176.7	-9.5	0	0	112.6	T669 R675 K676 R677	T669-Q673 HydrophobicContact CG2-CG 4.38Å; T669-Q673 WeakPolarHBondContact O-CB 3.36Å; T669-Q673 WeakPolarHBondContact O-CG 3.13Å; T669-Q673 PolarHBondContact O-N 3.5Å; Q673-R675 VanDerWaalsContact C-N 3.29Å; Q673-R675 PolarHBondContact O-N 2.98Å; Q673-K676 PolarHBondContact O-N 3.19Å; Q673-R677 VanDerWaalsContact O-CB 3.25Å; Q673-R677 WeakPolarHBondContact O-CB 3.34Å; Q673-R677 PolarHBondContact O-N 2.85Å
674	E	82.2	Confident	80.8	Confident	63 Å²	63	69.8 Å²	69.8	29%	0.294	34%	0.342	S	S	.	.	H	α-helix	trans	-67.1	-29.6	174.3	172.9	68.2	-179.7	0	0	111.6	N670 F671 R677 R678	N670-E674 WeakPolarHBondContact O-CB 3.31Å; N670-E674 PolarHBondContact O-N 3.25Å; F671-E674 PolarHBondContact O-N 3.49Å; E674-R677 IonicContact OE2-CZ 3.19Å; E674-R677 IonicContact OE2-NH1 2.83Å; E674-R677 PolarHBondContact OE2-NH1 3.06Å; E674-R678 WeakPolarHBondContact O-CB 3.42Å; E674-R678 WeakPolarHBondContact O-CD 3.42Å; E674-R678 WeakPolarHBondContact O-CG 3.28Å; E674-R678 PolarHBondContact O-N 3.49Å; E674-R678 IonicContact OE1-CZ 3.4Å; E674-R678 VanDerWaalsContact OE1-CZ 3.26Å; E674-R678 IonicContact OE1-NE 2.92Å; E674-R678 PolarHBondContact OE1-NE 3.13Å; E674-R678 IonicContact OE1-NH2 3.42Å; E674-R678 PolarHBondContact OE1-NH2 2.58Å
675	R	77.9	Confident	79.8	Confident	97 Å²	97	72 Å²	72	37%	0.366	35%	0.354	S	S	.	.	H	α-helix	trans	-65.2	-50.4	170.9	-170.6	-173.2	-167.9	-169.5	6.2	111.5	F671 T672 Q673 R677 R678 R679 E685 E715	F671-R675 WeakPolarHBondContact O-CB 3.46Å; F671-R675 PolarHBondContact O-N 2.74Å; T672-R675 WeakPolarHBondContact O-CB 3.37Å; T672-R675 PolarHBondContact O-N 3.34Å; Q673-R675 VanDerWaalsContact C-N 3.29Å; Q673-R675 PolarHBondContact O-N 2.98Å; R675-R677 PolarHBondContact O-N 3.42Å; R675-R678 PolarHBondContact O-N 3.37Å; R675-R679 PolarHBondContact O-N 3.23Å; R675-E685 IonicContact CZ-OE1 3.84Å; R675-E685 VanDerWaalsContact CZ-OE1 3.24Å; R675-E685 IonicContact NE-OE1 2.72Å; R675-E685 PolarHBondContact NE-OE1 3.09Å; R675-E685 IonicContact NE-OE2 2.84Å; R675-E685 IonicContact NH2-OE1 2.79Å; R675-E685 PolarHBondContact NH2-OE1 2.6Å; R675-E685 IonicContact NH2-OE2 2.7Å; R675-E715 IonicContact NH1-OE1 2.8Å
676	K	77	Confident	79.1	Confident	65 Å²	65	71 Å²	71	28%	0.283	36%	0.355	S	S	.	.	H	α-helix	trans	-55.3	-51.9	174.1	172.5	172.8	170.7	177.5	0	110.5	T672 Q673 R678 R679 E680 L1009	T672-K676 PolarHBondContact O-N 2.77Å; Q673-K676 PolarHBondContact O-N 3.19Å; K676-R678 VanDerWaalsContact C-N 3.29Å; K676-R678 PolarHBondContact O-N 3.06Å; K676-R679 WeakPolarHBondContact O-CB 3.21Å; K676-R679 PolarHBondContact O-N 2.98Å; K676-R679 VanDerWaalsContact O-N 3.12Å; K676-E680 WeakPolarHBondContact CE-OE1 3.22Å; K676-E680 VanDerWaalsContact CG-OE1 3.25Å; K676-E680 WeakPolarHBondContact CG-OE1 3.19Å; K676-E680 IonicContact NZ-OE1 2.68Å; K676-E680 WeakPolarHBondContact O-CG 3.44Å; K676-E680 PolarHBondContact O-N 2.9Å; K676-L1009 VanDerWaalsContact NZ-CD1 3.27Å
677	R	81.5	Confident	78.4	Confident	134 Å²	134	71.9 Å²	71.9	51%	0.506	35%	0.354	S	S	.	.	H	α-helix	trans	-60.1	-31.6	177.4	-178.1	176.4	171.4	-96.1	-10	114.2	Q673 E674 R675 E680 L681	Q673-R677 VanDerWaalsContact O-CB 3.25Å; Q673-R677 WeakPolarHBondContact O-CB 3.34Å; Q673-R677 PolarHBondContact O-N 2.85Å; E674-R677 IonicContact OE2-CZ 3.19Å; E674-R677 IonicContact OE2-NH1 2.83Å; E674-R677 PolarHBondContact OE2-NH1 3.06Å; R675-R677 PolarHBondContact O-N 3.42Å; R677-E680 WeakPolarHBondContact CA-OE2 3.27Å; R677-L681 HydrophobicContact CG-CD1 4.1Å; R677-L681 WeakPolarHBondContact O-CB 3.44Å; R677-L681 WeakPolarHBondContact O-CD1 3.43Å; R677-L681 VanDerWaalsContact O-CG 3.23Å; R677-L681 WeakPolarHBondContact O-CG 3.41Å; R677-L681 PolarHBondContact O-N 2.86Å
678	R	81	Confident	78	Confident	61 Å²	61	71.4 Å²	71.4	23%	0.23	35%	0.353	C	S	.	.	H	α-helix	trans	-71.2	-44	173.6	-82.1	169.8	-179	-86.5	-20.8	112.1	E674 R675 K676 E680 L681 G682 L683 P684	E674-R678 WeakPolarHBondContact O-CB 3.42Å; E674-R678 WeakPolarHBondContact O-CD 3.42Å; E674-R678 WeakPolarHBondContact O-CG 3.28Å; E674-R678 PolarHBondContact O-N 3.49Å; E674-R678 IonicContact OE1-CZ 3.4Å; E674-R678 VanDerWaalsContact OE1-CZ 3.26Å; E674-R678 IonicContact OE1-NE 2.92Å; E674-R678 PolarHBondContact OE1-NE 3.13Å; E674-R678 IonicContact OE1-NH2 3.42Å; E674-R678 PolarHBondContact OE1-NH2 2.58Å; R675-R678 PolarHBondContact O-N 3.37Å; K676-R678 VanDerWaalsContact C-N 3.29Å; K676-R678 PolarHBondContact O-N 3.06Å; R678-E680 VanDerWaalsContact C-N 3.34Å; R678-E680 PolarHBondContact O-N 3.28Å; R678-L681 CarbonylContact O-C 3.45Å; R678-L681 PolarHBondContact O-N 2.75Å; R678-L681 VanDerWaalsContact O-N 3.11Å; R678-G682 PolarHBondContact O-N 3.46Å; R678-G682 VanDerWaalsContact O-N 3.12Å; R678-L683 HydrophobicContact CB-CB 4.21Å; R678-L683 HydrophobicContact CG-CB 4.13Å; R678-L683 PolarHBondContact O-N 3.03Å; R678-P684 PolarHBondContact NH1-O 3.2Å
679	R	71.4	Confident	77.7	Confident	128 Å²	128	72.3 Å²	72.3	48%	0.483	36%	0.357	S	S	.	.	H	α-helix	trans	-57.1	-48.1	174	-175.2	172.1	66.1	-175.4	-2.7	110.6	R675 K676 L681 G682 L1009	R675-R679 PolarHBondContact O-N 3.23Å; K676-R679 WeakPolarHBondContact O-CB 3.21Å; K676-R679 PolarHBondContact O-N 2.98Å; K676-R679 VanDerWaalsContact O-N 3.12Å; R679-L681 PolarHBondContact O-N 3.4Å; R679-G682 PolarHBondContact O-N 3.23Å; R679-G682 VanDerWaalsContact O-N 3.12Å; R679-L1009 PolarHBondContact NH2-O 2.86Å
680	E	74.7	Confident	77.3	Confident	121 Å²	121	71 Å²	71	57%	0.565	35%	0.352	S	S	*	.	H	α-helix	trans	-61	-22	176.1	-69.1	164.3	170.6	0	0	114.4	K676 R677 R678	K676-E680 WeakPolarHBondContact CE-OE1 3.22Å; K676-E680 VanDerWaalsContact CG-OE1 3.25Å; K676-E680 WeakPolarHBondContact CG-OE1 3.19Å; K676-E680 IonicContact NZ-OE1 2.68Å; K676-E680 WeakPolarHBondContact O-CG 3.44Å; K676-E680 PolarHBondContact O-N 2.9Å; R677-E680 WeakPolarHBondContact CA-OE2 3.27Å; R678-E680 VanDerWaalsContact C-N 3.34Å; R678-E680 PolarHBondContact O-N 3.28Å
681	L	80.6	Confident	76.7	Confident	98 Å²	98	71.2 Å²	71.2	51%	0.513	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	8.5	178.8	-67.6	172.8	0	0	0	113.2	R677 R678 R679 L683	R677-L681 HydrophobicContact CG-CD1 4.1Å; R677-L681 WeakPolarHBondContact O-CB 3.44Å; R677-L681 WeakPolarHBondContact O-CD1 3.43Å; R677-L681 VanDerWaalsContact O-CG 3.23Å; R677-L681 WeakPolarHBondContact O-CG 3.41Å; R677-L681 PolarHBondContact O-N 2.86Å; R678-L681 CarbonylContact O-C 3.45Å; R678-L681 PolarHBondContact O-N 2.75Å; R678-L681 VanDerWaalsContact O-N 3.11Å; R679-L681 PolarHBondContact O-N 3.4Å; L681-L683 HydrophobicContact CB-CD1 3.94Å; L681-L683 HydrophobicContact CB-CG 3.95Å; L681-L683 HydrophobicContact CD1-CD1 4.15Å; L681-L683 PolarHBondContact O-N 3.23Å; L681-L683 VanDerWaalsContact O-N 3.1Å
682	G	71.5	Confident	76.4	Confident	65 Å²	65	76.5 Å²	76.5	67%	0.67	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	12.7	-175.1	0	0	0	0	0	114.8	R678 R679	R678-G682 PolarHBondContact O-N 3.46Å; R678-G682 VanDerWaalsContact O-N 3.12Å; R679-G682 PolarHBondContact O-N 3.23Å; R679-G682 VanDerWaalsContact O-N 3.12Å
683	L	74.8	Confident	76.6	Confident	87 Å²	87	77.1 Å²	77.1	46%	0.455	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-84.3	137.3	-173.8	-70.2	174.6	0	0	0	111.5	R678 L681	R678-L683 HydrophobicContact CB-CB 4.21Å; R678-L683 HydrophobicContact CG-CB 4.13Å; R678-L683 PolarHBondContact O-N 3.03Å; L681-L683 HydrophobicContact CB-CD1 3.94Å; L681-L683 HydrophobicContact CB-CG 3.95Å; L681-L683 HydrophobicContact CD1-CD1 4.15Å; L681-L683 PolarHBondContact O-N 3.23Å; L681-L683 VanDerWaalsContact O-N 3.1Å
684	P	68	Low	76.9	Confident	82 Å²	82	78.2 Å²	78.2	53%	0.532	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-65.5	151.5	178.4	26.6	-34.2	0	0	0	112.8	R678	R678-P684 PolarHBondContact NH1-O 3.2Å
685	E	69	Low	77.3	Confident	76 Å²	76	76.7 Å²	76.7	36%	0.355	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-64.1	140.3	173.1	-68.3	-166	-173.8	0	0	111.3	R675 Y687	R675-E685 IonicContact CZ-OE1 3.84Å; R675-E685 VanDerWaalsContact CZ-OE1 3.24Å; R675-E685 IonicContact NE-OE1 2.72Å; R675-E685 PolarHBondContact NE-OE1 3.09Å; R675-E685 IonicContact NE-OE2 2.84Å; R675-E685 IonicContact NH2-OE1 2.79Å; R675-E685 PolarHBondContact NH2-OE1 2.6Å; R675-E685 IonicContact NH2-OE2 2.7Å; E685-Y687 PolarHBondContact O-N 3.03Å; E685-Y687 VanDerWaalsContact O-N 3.1Å
686	P	72.1	Confident	78	Confident	53 Å²	53	72.7 Å²	72.7	34%	0.344	37%	0.366	S	S	.	.			trans	-75.5	100.2	-176.1	30.2	-34.5	0	0	0	112.2
687	Y	74	Confident	78.8	Confident	83 Å²	83	71.2 Å²	71.2	33%	0.325	36%	0.363	S	S	.	.			trans	-91.4	153.5	179.1	64.5	-85.3	0	0	0	114	S594 P596 E600 E685	S594-Y687 VanDerWaalsContact OG-CD2 3.31Å; S594-Y687 WeakPolarHBondContact OG-CD2 3.42Å; S594-Y687 WeakPolarHBondContact OG-CE2 3.45Å; P596-Y687 HydrophobicContact CB-CD1 3.56Å; P596-Y687 HydrophobicContact CB-CE1 3.46Å; P596-Y687 VanDerWaalsContact CB-CE1 3.46Å; P596-Y687 HydrophobicContact CB-CG 4.33Å; P596-Y687 HydrophobicContact CG-CD1 3.64Å; P596-Y687 HydrophobicContact CG-CE1 4.11Å; P596-Y687 HydrophobicContact CG-CG 4.19Å; E600-Y687 PolarHBondContact OE1-OH 3.48Å; E685-Y687 PolarHBondContact O-N 3.03Å; E685-Y687 VanDerWaalsContact O-N 3.1Å
688	L	81.5	Confident	79.3	Confident	17 Å²	17	64.9 Å²	64.9	9%	0.089	34%	0.339	C	S	.	.	S	Bend	trans	-89.7	-33.9	-175.6	-174.8	59.4	0	0	0	114.1	T693 I696 D700 K704 E705	L688-T693 PolarHBondContact O-OG1 3.09Å; L688-T693 VanDerWaalsContact O-OG1 3.14Å; L688-I696 HydrophobicContact CD1-CB 4.4Å; L688-I696 HydrophobicContact CD1-CG2 3.8Å; L688-I696 HydrophobicContact CD2-CD1 4.13Å; L688-I696 HydrophobicContact CD2-CG2 4.45Å; L688-I696 HydrophobicContact CG-CG2 4.07Å; L688-D700 HydrophobicContact CD1-CB 3.96Å; L688-K704 HydrophobicContact CB-CB 4.24Å; L688-K704 HydrophobicContact CD1-CB 4.47Å; L688-K704 HydrophobicContact CD1-CD 4.06Å; L688-E705 HydrophobicContact CD2-CB 3.97Å
689	Y	80.5	Confident	79.9	Confident	20 Å²	20	65.1 Å²	65.1	8%	0.078	34%	0.343	C	S	.	.			trans	-105.4	91.4	-171.3	-58.6	-72.2	0	0	0	112.4	E575 I577 I639 T693 I696 E705	E575-Y689 PolarHBondContact OE1-OH 2.67Å; E575-Y689 PolarHBondContact OE2-OH 3.01Å; E575-Y689 VanDerWaalsContact OE2-OH 3.1Å; I577-Y689 HydrophobicContact CD1-CD1 4.21Å; I577-Y689 HydrophobicContact CG2-CD1 4.2Å; I577-Y689 HydrophobicContact CG2-CE1 3.91Å; I639-Y689 HydrophobicContact CG1-CD1 4.28Å; I639-Y689 HydrophobicContact CG1-CE1 4.07Å; I639-Y689 HydrophobicContact CG2-CE1 4.4Å; Y689-T693 HydrophobicContact CD1-CG2 4.23Å; Y689-I696 HydrophobicContact CE1-CD1 4.44Å; Y689-E705 VanDerWaalsContact CE2-OE2 3.3Å; Y689-E705 WeakPolarHBondContact CE2-OE2 3.3Å; Y689-E705 PolarHBondContact OH-OE2 2.67Å
690	G	74.6	Confident	80.9	Confident	17 Å²	17	61 Å²	61	18%	0.175	33%	0.331	C	S	.	.			trans	-84.9	175.3	167.9	0	0	0	0	0	113.2	R636 D692 T693	R636-G690 PolarHBondContact NH1-O 3Å; R636-G690 PolarHBondContact NH2-O 3.38Å; G690-D692 PolarHBondContact O-N 2.93Å; G690-T693 PolarHBondContact N-OG1 2.91Å; G690-T693 PolarHBondContact O-N 3.17Å
691	K	72.8	Confident	81.8	Confident	107 Å²	107	55.4 Å²	55.4	47%	0.465	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-38.8	174.2	-71	156.4	-179.1	144.7	0	112.2	E597 E600 R636 R694	E597-K691 HydrophobicContact CG-CG 4.42Å; E597-K691 WeakPolarHBondContact OE1-CE 3.23Å; E597-K691 WeakPolarHBondContact OE1-CG 3.41Å; E600-K691 IonicContact OE2-NZ 3.76Å; R636-K691 PolarHBondContact NH1-O 2.79Å; K691-R694 PolarHBondContact O-NH1 2.89Å; K691-R694 PolarHBondContact O-NH2 3.38Å
692	D	78.3	Confident	82.3	Confident	141 Å²	141	50.8 Å²	50.8	75%	0.754	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	1.3	-177.1	-62.8	-54.8	0	0	0	115.4	G690 R694	G690-D692 PolarHBondContact O-N 2.93Å; D692-R694 PolarHBondContact O-N 2.94Å
693	T	84.6	Confident	83.3	Confident	28 Å²	28	50.1 Å²	50.1	17%	0.172	26%	0.259	C	S	.	.			trans	-61	123.8	174.5	-58.6	0	0	0	0	109.6	I639 L688 Y689 G690 I696	I639-T693 HydrophobicContact CD1-CG2 4.3Å; I639-T693 VanDerWaalsContact CD1-O 3.26Å; I639-T693 WeakPolarHBondContact CD1-O 3.28Å; L688-T693 PolarHBondContact O-OG1 3.09Å; L688-T693 VanDerWaalsContact O-OG1 3.14Å; Y689-T693 HydrophobicContact CD1-CG2 4.23Å; G690-T693 PolarHBondContact N-OG1 2.91Å; G690-T693 PolarHBondContact O-N 3.17Å; T693-I696 HydrophobicContact CG2-CG2 3.75Å
694	R	86.8	Confident	83.9	Confident	99 Å²	99	49.3 Å²	49.3	37%	0.374	25%	0.252	S	S	.	.			trans	-134.9	-9.9	175.8	-62.4	-62.8	-179	-75.4	-6.3	113.3	N635 R640 K691 D692	N635-R694 WeakPolarHBondContact O-CD 3.09Å; N635-R694 PolarHBondContact O-NE 3.28Å; R640-R694 PolarHBondContact N-O 3.45Å; K691-R694 PolarHBondContact O-NH1 2.89Å; K691-R694 PolarHBondContact O-NH2 3.38Å; D692-R694 PolarHBondContact O-N 2.94Å
695	A	90.6	Very high	84.9	Confident	32 Å²	32	45.9 Å²	45.9	26%	0.264	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	150.1	173.2	0	0	0	0	0	110.2	R640 R642	R640-A695 HydrophobicContact CB-CB 4.41Å; R640-A695 CarbonylContact O-C 3.49Å; R640-A695 WeakPolarHBondContact O-CA 3.41Å; R640-A695 WeakPolarHBondContact O-CB 3.49Å; R642-A695 HydrophobicContact CG-CB 4.15Å
696	I	92.6	Very high	86	Confident	12 Å²	12	42.4 Å²	42.4	6%	0.062	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	158.1	-177.7	58.6	-178.4	0	0	0	110.1	I639 R640 F641 R642 L688 Y689 T693 F701	I639-I696 HydrophobicContact CG2-CB 4.5Å; I639-I696 HydrophobicContact CG2-CD1 4Å; I639-I696 HydrophobicContact CG2-CG1 3.89Å; I639-I696 HydrophobicContact CG2-CG2 4.04Å; R640-I696 PolarHBondContact O-N 2.85Å; F641-I696 CarbonylContact C-O 3.56Å; F641-I696 WeakPolarHBondContact CA-O 3.3Å; F641-I696 HydrophobicContact CD1-CD1 4.11Å; F641-I696 HydrophobicContact CD1-CG1 3.9Å; F641-I696 HydrophobicContact CE1-CD1 3.57Å; F641-I696 HydrophobicContact CE1-CG1 3.9Å; F641-I696 HydrophobicContact CE2-CD1 4.45Å; F641-I696 HydrophobicContact CG-CG1 4.41Å; F641-I696 HydrophobicContact CZ-CD1 3.76Å; F641-I696 HydrophobicContact CZ-CG1 4.4Å; R642-I696 PolarHBondContact N-O 2.9Å; L688-I696 HydrophobicContact CD1-CB 4.4Å; L688-I696 HydrophobicContact CD1-CG2 3.8Å; L688-I696 HydrophobicContact CD2-CD1 4.13Å; L688-I696 HydrophobicContact CD2-CG2 4.45Å; L688-I696 HydrophobicContact CG-CG2 4.07Å; Y689-I696 HydrophobicContact CE1-CD1 4.44Å; T693-I696 HydrophobicContact CG2-CG2 3.75Å; I696-F701 HydrophobicContact CD1-CB 4.41Å
697	T	93.4	Very high	86.8	Confident	35 Å²	35	39.9 Å²	39.9	22%	0.215	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	162.2	169.9	56.2	0	0	0	0	110.3	H699 D700 F701	T697-H699 VanDerWaalsContact C-N 3.31Å; T697-D700 PolarHBondContact O-N 3.39Å; T697-D700 VanDerWaalsContact OG1-CB 3.28Å; T697-D700 WeakPolarHBondContact OG1-CB 3.26Å; T697-D700 PolarHBondContact OG1-N 3.41Å; T697-D700 PolarHBondContact OG1-OD1 3.48Å; T697-F701 PolarHBondContact O-N 2.6Å; T697-F701 VanDerWaalsContact O-N 3.11Å
698	Y	93.5	Very high	87.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-71.3	-32	174.3	-56.8	-81.5	0	0	0	111.1	I557 L568 F641 Y643 D648 I652 V702	I557-Y698 HydrophobicContact CD1-CD1 4.21Å; I557-Y698 HydrophobicContact CD1-CE1 4.46Å; I557-Y698 HydrophobicContact CG1-CD1 4.37Å; I557-Y698 HydrophobicContact CG1-CE1 4.28Å; I557-Y698 HydrophobicContact CG2-CD1 3.68Å; I557-Y698 HydrophobicContact CG2-CE1 4.02Å; L568-Y698 HydrophobicContact CB-CE2 3.98Å; L568-Y698 HydrophobicContact CD1-CE1 4.22Å; L568-Y698 HydrophobicContact CD1-CE2 4.43Å; L568-Y698 HydrophobicContact CD2-CE1 4.1Å; L568-Y698 PolarHBondContact O-OH 2.95Å; F641-Y698 HydrophobicContact CB-CD1 4.31Å; F641-Y698 HydrophobicContact CB-CE1 3.57Å; F641-Y698 HydrophobicContact CB-CE2 4.23Å; F641-Y698 AromaticContact CD1-CD1 3.52Å; F641-Y698 HydrophobicContact CD1-CD1 3.52Å; F641-Y698 AromaticContact CD1-CE1 3.54Å; F641-Y698 HydrophobicContact CD1-CE1 3.54Å; F641-Y698 HydrophobicContact CD1-CG 4.29Å; F641-Y698 HydrophobicContact CE1-CD1 4.17Å; F641-Y698 HydrophobicContact CE1-CE1 4.41Å; F641-Y698 HydrophobicContact CG-CD1 4.13Å; F641-Y698 AromaticContact CG-CE1 3.64Å; F641-Y698 HydrophobicContact CG-CE1 3.64Å; Y643-Y698 HydrophobicContact CD2-CE2 4.47Å; D648-Y698 HydrophobicContact CB-CD2 4.09Å; D648-Y698 HydrophobicContact CB-CG 4.48Å; D648-Y698 WeakPolarHBondContact OD1-CA 3.38Å; D648-Y698 WeakPolarHBondContact OD1-CB 3.45Å; D648-Y698 PolarHBondContact OD1-N 3.49Å; I652-Y698 HydrophobicContact CD1-CD1 4.41Å; I652-Y698 HydrophobicContact CD1-CG 4.16Å; Y698-V702 WeakPolarHBondContact O-CG2 3.21Å; Y698-V702 PolarHBondContact O-N 2.83Å
699	H	93.1	Very high	87.9	Confident	66 Å²	66	38 Å²	38	31%	0.306	19%	0.192	S	C	.	.	H	α-helix	trans	-52.6	-56.2	167.1	172.7	-84.9	0	0	0	111.4	D648 T697 F701 V702 H703	D648-H699 WeakPolarHBondContact OD1-CB 3.17Å; D648-H699 PolarHBondContact OD1-N 2.66Å; T697-H699 VanDerWaalsContact C-N 3.31Å; H699-F701 PolarHBondContact O-N 3.38Å; H699-V702 PolarHBondContact O-N 2.82Å; H699-V702 VanDerWaalsContact O-N 3.16Å; H699-H703 AromaticContact CD2-CD2 3.46Å; H699-H703 PolarHBondContact CD2-CD2 3.3Å; H699-H703 VanDerWaalsContact CD2-CD2 3.46Å; H699-H703 AromaticContact CD2-NE2 3.84Å; H699-H703 AromaticContact CE1-CD2 3.91Å; H699-H703 AromaticContact CG-CD2 3.87Å; H699-H703 AromaticContact NE2-CD2 3.48Å; H699-H703 PolarHBondContact NE2-CD2 2.88Å; H699-H703 AromaticContact NE2-NE2 3.98Å; H699-H703 PolarHBondContact O-CD2 3.22Å; H699-H703 PolarHBondContact O-N 3.04Å
700	D	91.9	Very high	88.3	Confident	43 Å²	43	37.4 Å²	37.4	23%	0.23	19%	0.19	C	C	.	.	H	α-helix	trans	-67	-37.9	-176.6	-81	31.2	0	0	0	112.1	L688 T697 H703 K704	L688-D700 HydrophobicContact CD1-CB 3.96Å; T697-D700 PolarHBondContact O-N 3.39Å; T697-D700 VanDerWaalsContact OG1-CB 3.28Å; T697-D700 WeakPolarHBondContact OG1-CB 3.26Å; T697-D700 PolarHBondContact OG1-N 3.41Å; T697-D700 PolarHBondContact OG1-OD1 3.48Å; D700-H703 PolarHBondContact O-N 2.95Å; D700-K704 HydrophobicContact CB-CD 4.23Å; D700-K704 WeakPolarHBondContact O-CB 3.46Å; D700-K704 WeakPolarHBondContact O-CG 3.31Å; D700-K704 PolarHBondContact O-N 3.35Å; D700-K704 WeakPolarHBondContact OD2-CE 3.49Å; D700-K704 IonicContact OD2-NZ 3.81Å; D700-K704 PolarHBondContact OD2-NZ 3.4Å
701	F	93.1	Very high	88.9	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.009	18%	0.184	C	C	.	.	H	α-helix	trans	-57.8	-47.3	170.8	167.1	-97.4	0	0	0	112.1	K553 I557 F641 I696 T697 H699 E705 L706	K553-F701 HydrophobicContact CB-CE2 3.85Å; K553-F701 HydrophobicContact CB-CZ 3.75Å; K553-F701 HydrophobicContact CD-CE2 4.02Å; I557-F701 HydrophobicContact CD1-CD1 3.88Å; I557-F701 HydrophobicContact CD1-CE1 3.77Å; I557-F701 HydrophobicContact CD1-CG 4.44Å; I557-F701 HydrophobicContact CD1-CZ 4.25Å; F641-F701 HydrophobicContact CE1-CB 3.83Å; F641-F701 HydrophobicContact CE1-CD1 4.47Å; F641-F701 HydrophobicContact CE1-CD2 4.2Å; F641-F701 AromaticContact CE1-CG 3.88Å; F641-F701 HydrophobicContact CE1-CG 3.88Å; F641-F701 HydrophobicContact CZ-CD2 4.26Å; F641-F701 HydrophobicContact CZ-CG 4.37Å; I696-F701 HydrophobicContact CD1-CB 4.41Å; T697-F701 PolarHBondContact O-N 2.6Å; T697-F701 VanDerWaalsContact O-N 3.11Å; H699-F701 PolarHBondContact O-N 3.38Å; F701-E705 HydrophobicContact CD2-CB 4.21Å; F701-E705 WeakPolarHBondContact CD2-OE2 3.34Å; F701-E705 HydrophobicContact CE2-CB 4.38Å; F701-E705 HydrophobicContact CE2-CG 4.37Å; F701-E705 WeakPolarHBondContact O-CB 3.45Å; F701-E705 PolarHBondContact O-N 3.05Å; F701-E705 VanDerWaalsContact O-N 3.09Å; F701-L706 HydrophobicContact CE1-CB 4.19Å; F701-L706 HydrophobicContact CE1-CD2 4.23Å; F701-L706 HydrophobicContact CZ-CB 4.3Å; F701-L706 PolarHBondContact O-N 3.33Å
702	V	92.5	Very high	89.6	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.006	17%	0.167	C	C	.	.	I	π-helix	trans	-62.1	-54	177.4	169.5	0	0	0	0	110.4	A655 W667 Y698 H699 K704 L706 V707	A655-V702 HydrophobicContact CB-CG1 4.37Å; W667-V702 HydrophobicContact CH2-CG1 4.18Å; W667-V702 HydrophobicContact CZ2-CG1 3.88Å; W667-V702 WeakPolarHBondContact CZ2-O 3.47Å; Y698-V702 WeakPolarHBondContact O-CG2 3.21Å; Y698-V702 PolarHBondContact O-N 2.83Å; H699-V702 PolarHBondContact O-N 2.82Å; H699-V702 VanDerWaalsContact O-N 3.16Å; V702-K704 PolarHBondContact O-N 3.48Å; V702-L706 HydrophobicContact CG2-CD2 4.28Å; V702-L706 PolarHBondContact O-N 3.18Å; V702-V707 PolarHBondContact O-N 3.32Å; V702-V707 VanDerWaalsContact O-N 3.09Å
703	H	91.4	Very high	90.1	Very high	51 Å²	51	27.9 Å²	27.9	24%	0.236	14%	0.14	C	C	.	.	I	π-helix	trans	-84.5	-7.1	-168.3	-63.9	-70.8	0	0	0	115.4	S651 W667 H699 D700 V707	S651-H703 PolarHBondContact OG-CD2 3.23Å; S651-H703 PolarHBondContact OG-NE2 3.46Å; W667-H703 AromaticContact CD1-ND1 3.61Å; W667-H703 AromaticContact CE2-ND1 3.76Å; W667-H703 AromaticContact NE1-CE1 3.93Å; W667-H703 AromaticContact NE1-ND1 3.12Å; W667-H703 PolarHBondContact NE1-ND1 2.95Å; W667-H703 VanDerWaalsContact NE1-ND1 3.12Å; H699-H703 AromaticContact CD2-CD2 3.46Å; H699-H703 PolarHBondContact CD2-CD2 3.3Å; H699-H703 VanDerWaalsContact CD2-CD2 3.46Å; H699-H703 AromaticContact CD2-NE2 3.84Å; H699-H703 AromaticContact CE1-CD2 3.91Å; H699-H703 AromaticContact CG-CD2 3.87Å; H699-H703 AromaticContact NE2-CD2 3.48Å; H699-H703 PolarHBondContact NE2-CD2 2.88Å; H699-H703 AromaticContact NE2-NE2 3.98Å; H699-H703 PolarHBondContact O-CD2 3.22Å; H699-H703 PolarHBondContact O-N 3.04Å; D700-H703 PolarHBondContact O-N 2.95Å; H703-V707 WeakPolarHBondContact O-CG1 3.29Å
704	K	87.5	Confident	90.4	Very high	70 Å²	70	26.6 Å²	26.6	30%	0.304	13%	0.132	S	C	.	.	I	π-helix	trans	-123.7	-14.9	178	-56.5	173	178.9	171.3	0	114.9	L688 D700 V702	L688-K704 HydrophobicContact CB-CB 4.24Å; L688-K704 HydrophobicContact CD1-CB 4.47Å; L688-K704 HydrophobicContact CD1-CD 4.06Å; D700-K704 HydrophobicContact CB-CD 4.23Å; D700-K704 WeakPolarHBondContact O-CB 3.46Å; D700-K704 WeakPolarHBondContact O-CG 3.31Å; D700-K704 PolarHBondContact O-N 3.35Å; D700-K704 WeakPolarHBondContact OD2-CE 3.49Å; D700-K704 IonicContact OD2-NZ 3.81Å; D700-K704 PolarHBondContact OD2-NZ 3.4Å; V702-K704 PolarHBondContact O-N 3.48Å
705	E	89.2	Confident	90.5	Very high	10 Å²	10	24.7 Å²	24.7	5%	0.047	13%	0.128	C	C	.	.	I	π-helix	trans	-125.7	-54.9	-179.2	-169.1	-169.2	148.4	0	0	112	S550 K553 L688 Y689 F701 V707 L708 F709	S550-E705 WeakPolarHBondContact CB-OE1 3.44Å; S550-E705 WeakPolarHBondContact OG-CG 3.35Å; S550-E705 PolarHBondContact OG-OE1 2.86Å; K553-E705 WeakPolarHBondContact CD-OE1 3.46Å; K553-E705 WeakPolarHBondContact CE-OE1 3.38Å; K553-E705 IonicContact NZ-OE1 3.64Å; K553-E705 PolarHBondContact NZ-OE1 2.86Å; K553-E705 IonicContact NZ-OE2 2.81Å; L688-E705 HydrophobicContact CD2-CB 3.97Å; Y689-E705 VanDerWaalsContact CE2-OE2 3.3Å; Y689-E705 WeakPolarHBondContact CE2-OE2 3.3Å; Y689-E705 PolarHBondContact OH-OE2 2.67Å; F701-E705 HydrophobicContact CD2-CB 4.21Å; F701-E705 WeakPolarHBondContact CD2-OE2 3.34Å; F701-E705 HydrophobicContact CE2-CB 4.38Å; F701-E705 HydrophobicContact CE2-CG 4.37Å; F701-E705 WeakPolarHBondContact O-CB 3.45Å; F701-E705 PolarHBondContact O-N 3.05Å; F701-E705 VanDerWaalsContact O-N 3.09Å; E705-V707 PolarHBondContact O-N 3.22Å; E705-L708 VanDerWaalsContact O-CB 3.31Å; E705-L708 WeakPolarHBondContact O-CB 3.45Å; E705-L708 PolarHBondContact O-N 2.98Å; E705-F709 PolarHBondContact O-N 2.83Å
706	L	91.3	Very high	90.4	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.016	13%	0.129	C	C	.	.	I	π-helix	trans	-65.5	-23.5	179.5	-167.7	63.5	0	0	0	112.5	A655 F656 F701 V702 L708 F709 S710	A655-L706 HydrophobicContact CB-CD2 3.64Å; F656-L706 HydrophobicContact CE2-CD2 3.67Å; F656-L706 HydrophobicContact CZ-CD1 4.49Å; F656-L706 HydrophobicContact CZ-CD2 3.76Å; F701-L706 HydrophobicContact CE1-CB 4.19Å; F701-L706 HydrophobicContact CE1-CD2 4.23Å; F701-L706 HydrophobicContact CZ-CB 4.3Å; F701-L706 PolarHBondContact O-N 3.33Å; V702-L706 HydrophobicContact CG2-CD2 4.28Å; V702-L706 PolarHBondContact O-N 3.18Å; L706-L708 VanDerWaalsContact C-N 3.32Å; L706-F709 HydrophobicContact CD1-CD1 4.46Å; L706-S710 WeakPolarHBondContact O-CB 3.29Å; L706-S710 PolarHBondContact O-N 3.19Å; L706-S710 PolarHBondContact O-OG 3.42Å
707	V	90.1	Very high	90.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.5	-36.8	169.6	75.8	0	0	0	0	112.3	W667 L668 F671 V702 H703 E705 S710 N711	W667-V707 HydrophobicContact CH2-CB 4.18Å; W667-V707 HydrophobicContact CH2-CG2 4.33Å; W667-V707 HydrophobicContact CZ2-CB 3.51Å; W667-V707 HydrophobicContact CZ2-CG2 3.67Å; L668-V707 HydrophobicContact CD2-CG2 4.08Å; F671-V707 HydrophobicContact CB-CG2 3.8Å; F671-V707 HydrophobicContact CD1-CG2 3.74Å; F671-V707 HydrophobicContact CD2-CB 4.38Å; F671-V707 HydrophobicContact CD2-CG1 3.81Å; F671-V707 HydrophobicContact CD2-CG2 3.69Å; F671-V707 HydrophobicContact CE1-CG1 4.32Å; F671-V707 HydrophobicContact CE1-CG2 4.28Å; F671-V707 HydrophobicContact CE2-CG1 3.54Å; F671-V707 HydrophobicContact CE2-CG2 4.23Å; F671-V707 HydrophobicContact CG-CG1 4.32Å; F671-V707 HydrophobicContact CG-CG2 3.43Å; F671-V707 VanDerWaalsContact CG-CG2 3.43Å; F671-V707 HydrophobicContact CZ-CG1 3.83Å; V702-V707 PolarHBondContact O-N 3.32Å; V702-V707 VanDerWaalsContact O-N 3.09Å; H703-V707 WeakPolarHBondContact O-CG1 3.29Å; E705-V707 PolarHBondContact O-N 3.22Å; V707-S710 WeakPolarHBondContact O-CB 3.45Å; V707-S710 PolarHBondContact O-N 3.16Å; V707-S710 VanDerWaalsContact O-N 3.1Å; V707-N711 PolarHBondContact O-N 3.15Å
708	L	88	Confident	90.3	Very high	59 Å²	59	25.8 Å²	25.8	31%	0.309	12%	0.124	S	C	.	.	H	α-helix	trans	-67.8	-41.9	-179.5	-54.8	176.6	0	0	0	110.5	Q547 F671 E705 L706 S710 L712	Q547-L708 HydrophobicContact CG-CB 4.28Å; F671-L708 HydrophobicContact CE1-CD2 4.22Å; F671-L708 HydrophobicContact CE2-CD2 4.49Å; F671-L708 HydrophobicContact CZ-CD2 3.62Å; E705-L708 VanDerWaalsContact O-CB 3.31Å; E705-L708 WeakPolarHBondContact O-CB 3.45Å; E705-L708 PolarHBondContact O-N 2.98Å; L706-L708 VanDerWaalsContact C-N 3.32Å; L708-S710 VanDerWaalsContact C-N 3.34Å; L708-L712 WeakPolarHBondContact O-CB 3.45Å; L708-L712 PolarHBondContact O-N 2.93Å
709	F	89.6	Confident	90.4	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.013	12%	0.124	C	C	.	.	H	α-helix	trans	-59.2	-45.8	168.1	171.1	-97	0	0	0	111.8	Q547 H551 E705 L706 N711 L712 D713	Q547-F709 HydrophobicContact CB-CB 4.05Å; Q547-F709 HydrophobicContact CB-CD2 4.25Å; Q547-F709 WeakPolarHBondContact O-CB 3.36Å; Q547-F709 WeakPolarHBondContact O-CD2 3.05Å; H551-F709 HydrophobicContact CB-CD1 3.78Å; H551-F709 HydrophobicContact CB-CD2 3.78Å; H551-F709 HydrophobicContact CB-CE1 3.91Å; H551-F709 HydrophobicContact CB-CE2 3.89Å; H551-F709 HydrophobicContact CB-CG 3.74Å; H551-F709 HydrophobicContact CB-CZ 3.99Å; H551-F709 AromaticContact CE1-CE1 3.7Å; H551-F709 AromaticContact CE1-CZ 3.76Å; H551-F709 AromaticContact CG-CD1 3.86Å; H551-F709 AromaticContact CG-CE1 3.55Å; H551-F709 AromaticContact CG-CZ 3.72Å; H551-F709 AromaticContact ND1-CE1 3.26Å; H551-F709 VanDerWaalsContact ND1-CE1 3.26Å; H551-F709 WeakPolarHBondContact ND1-CE1 3.46Å; H551-F709 AromaticContact ND1-CE2 3.71Å; H551-F709 AromaticContact ND1-CZ 3.08Å; H551-F709 WeakPolarHBondContact ND1-CZ 3.3Å; E705-F709 PolarHBondContact O-N 2.83Å; L706-F709 HydrophobicContact CD1-CD1 4.46Å; F709-N711 VanDerWaalsContact C-N 3.35Å; F709-N711 PolarHBondContact O-N 2.85Å; F709-L712 PolarHBondContact O-N 2.98Å; F709-D713 HydrophobicContact CE1-CB 3.99Å; F709-D713 HydrophobicContact CE2-CB 4.12Å; F709-D713 HydrophobicContact CZ-CB 3.71Å; F709-D713 WeakPolarHBondContact O-CB 3.47Å; F709-D713 PolarHBondContact O-N 2.66Å
710	S	89.6	Confident	90.4	Very high	6 Å²	6	23.1 Å²	23.1	4%	0.042	11%	0.113	C	C	.	.	H	α-helix	trans	-65.5	-36.3	-175.2	-57.2	0	0	0	0	112.7	L668 L706 V707 L708 N714	L668-S710 VanDerWaalsContact CD2-CB 3.41Å; L706-S710 WeakPolarHBondContact O-CB 3.29Å; L706-S710 PolarHBondContact O-N 3.19Å; L706-S710 PolarHBondContact O-OG 3.42Å; V707-S710 WeakPolarHBondContact O-CB 3.45Å; V707-S710 PolarHBondContact O-N 3.16Å; V707-S710 VanDerWaalsContact O-N 3.1Å; L708-S710 VanDerWaalsContact C-N 3.34Å; S710-N714 PolarHBondContact O-N 3.06Å; S710-N714 PolarHBondContact O-ND2 3.01Å
711	N	87.1	Confident	90.6	Very high	7 Å²	7	21.1 Å²	21.1	4%	0.037	10%	0.102	C	C	.	.	H	α-helix	trans	-69.7	-50.5	172.5	-95.3	45.5	0	0	0	111.4	L668 T672 V707 F709 D713 N714 E715	L668-N711 WeakPolarHBondContact CD2-OD1 3.41Å; T672-N711 PolarHBondContact OG1-ND2 2.97Å; V707-N711 PolarHBondContact O-N 3.15Å; F709-N711 VanDerWaalsContact C-N 3.35Å; F709-N711 PolarHBondContact O-N 2.85Å; N711-D713 VanDerWaalsContact C-N 3.29Å; N711-D713 PolarHBondContact O-N 3.11Å; N711-N714 CarbonylContact O-C 3.6Å; N711-N714 WeakPolarHBondContact O-CA 3.4Å; N711-N714 WeakPolarHBondContact O-CB 3.44Å; N711-N714 PolarHBondContact O-N 2.85Å; N711-E715 WeakPolarHBondContact O-CG 3.46Å; N711-E715 PolarHBondContact O-N 3.22Å
712	L	86.7	Confident	90.6	Very high	21 Å²	21	21.2 Å²	21.2	11%	0.11	10%	0.103	C	C	.	.	H	α-helix	trans	-58.5	-37.5	178.5	-178	81.2	0	0	0	113.5	Q547 L708 F709 N714 E715 R716	Q547-L712 HydrophobicContact CB-CD2 3.42Å; Q547-L712 VanDerWaalsContact CB-CD2 3.42Å; Q547-L712 HydrophobicContact CG-CD2 3.68Å; L708-L712 WeakPolarHBondContact O-CB 3.45Å; L708-L712 PolarHBondContact O-N 2.93Å; F709-L712 PolarHBondContact O-N 2.98Å; L712-N714 PolarHBondContact O-N 3.12Å; L712-E715 PolarHBondContact O-N 3.04Å; L712-R716 HydrophobicContact CG-CG 4.36Å; L712-R716 WeakPolarHBondContact O-CB 3.37Å; L712-R716 VanDerWaalsContact O-CG 3.3Å; L712-R716 WeakPolarHBondContact O-CG 3.47Å; L712-R716 PolarHBondContact O-N 3.48Å
713	D	89.2	Confident	90.7	Very high	37 Å²	37	21.2 Å²	21.2	20%	0.198	10%	0.103	C	C	.	.	H	α-helix	trans	-66.1	-27.7	175.7	-177	73.5	0	0	0	111.7	F709 N711 S717 T861	F709-D713 HydrophobicContact CE1-CB 3.99Å; F709-D713 HydrophobicContact CE2-CB 4.12Å; F709-D713 HydrophobicContact CZ-CB 3.71Å; F709-D713 WeakPolarHBondContact O-CB 3.47Å; F709-D713 PolarHBondContact O-N 2.66Å; N711-D713 VanDerWaalsContact C-N 3.29Å; N711-D713 PolarHBondContact O-N 3.11Å; D713-S717 WeakPolarHBondContact O-CB 3.47Å; D713-S717 PolarHBondContact O-OG 2.95Å; D713-T861 WeakPolarHBondContact OD2-CB 3.42Å; D713-T861 PolarHBondContact OD2-N 2.95Å; D713-T861 PolarHBondContact OD2-OG1 3.35Å
714	N	90.8	Very high	90.9	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-76.4	-47.9	165.3	-69.4	-62.3	0	0	0	111.4	S710 N711 L712 R716 S717 I718 G860 T861 F1006 L1012	S710-N714 PolarHBondContact O-N 3.06Å; S710-N714 PolarHBondContact O-ND2 3.01Å; N711-N714 CarbonylContact O-C 3.6Å; N711-N714 WeakPolarHBondContact O-CA 3.4Å; N711-N714 WeakPolarHBondContact O-CB 3.44Å; N711-N714 PolarHBondContact O-N 2.85Å; L712-N714 PolarHBondContact O-N 3.12Å; N714-R716 VanDerWaalsContact C-N 3.28Å; N714-R716 PolarHBondContact O-N 2.93Å; N714-S717 PolarHBondContact O-N 2.78Å; N714-I718 HydrophobicContact CB-CD1 4.26Å; N714-I718 WeakPolarHBondContact O-CB 3.48Å; N714-I718 PolarHBondContact O-N 3.26Å; N714-G860 WeakPolarHBondContact OD1-CA 3.14Å; N714-T861 PolarHBondContact ND2-O 2.95Å; N714-T861 PolarHBondContact OD1-N 2.64Å; N714-F1006 HydrophobicContact CB-CZ 4.07Å; N714-L1012 HydrophobicContact CB-CD1 4.04Å
715	E	88.5	Confident	91.3	Very high	60 Å²	60	16.4 Å²	16.4	28%	0.28	8%	0.084	S	C	.	.	H	α-helix	trans	-54.7	-39.1	178.9	-67.6	165.7	-170.8	0	0	112.8	R675 N711 L712 P727 F1006	R675-E715 IonicContact NH1-OE1 2.8Å; N711-E715 WeakPolarHBondContact O-CG 3.46Å; N711-E715 PolarHBondContact O-N 3.22Å; L712-E715 PolarHBondContact O-N 3.04Å; E715-P727 WeakPolarHBondContact O-CD 3.48Å; E715-P727 WeakPolarHBondContact O-CG 3.22Å; E715-F1006 VanDerWaalsContact CA-CE2 3.5Å; E715-F1006 HydrophobicContact CB-CE2 4.47Å; E715-F1006 HydrophobicContact CB-CZ 4.22Å; E715-F1006 HydrophobicContact CG-CE1 4.15Å; E715-F1006 HydrophobicContact CG-CE2 4.4Å; E715-F1006 HydrophobicContact CG-CZ 3.72Å
716	R	89.2	Confident	91.5	Very high	78 Å²	78	17.9 Å²	17.9	29%	0.294	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-20.2	176.4	-69	173.1	178.3	171.3	2.3	113.7	D548 L712 N714 H762	D548-R716 IonicContact OD2-CZ 3.35Å; D548-R716 IonicContact OD2-NH1 2.78Å; D548-R716 PolarHBondContact OD2-NH1 2.95Å; D548-R716 IonicContact OD2-NH2 3.3Å; L712-R716 HydrophobicContact CG-CG 4.36Å; L712-R716 WeakPolarHBondContact O-CB 3.37Å; L712-R716 VanDerWaalsContact O-CG 3.3Å; L712-R716 WeakPolarHBondContact O-CG 3.47Å; L712-R716 PolarHBondContact O-N 3.48Å; N714-R716 VanDerWaalsContact C-N 3.28Å; N714-R716 PolarHBondContact O-N 2.93Å; R716-H762 VanDerWaalsContact CZ-NE2 3.28Å; R716-H762 PolarHBondContact NH2-NE2 2.98Å
717	S	91.7	Very high	91.6	Very high	23 Å²	23	19.4 Å²	19.4	16%	0.161	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-25	-168.4	-60.7	0	0	0	0	114.6	D713 N714 K726 G858 I859	D713-S717 WeakPolarHBondContact O-CB 3.47Å; D713-S717 PolarHBondContact O-OG 2.95Å; N714-S717 PolarHBondContact O-N 2.78Å; S717-K726 WeakPolarHBondContact O-CE 2.99Å; S717-K726 PolarHBondContact O-NZ 3.02Å; S717-G858 WeakPolarHBondContact O-CA 3.5Å; S717-I859 PolarHBondContact OG-O 2.94Å
718	I	93.2	Very high	91.7	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.109	C	C	.	.	S	Bend	trans	-114.8	136.1	-176.1	-63.9	176.2	0	0	0	108.1	N714 T865 V1004 F1006 L1012	N714-I718 HydrophobicContact CB-CD1 4.26Å; N714-I718 WeakPolarHBondContact O-CB 3.48Å; N714-I718 PolarHBondContact O-N 3.26Å; I718-T865 HydrophobicContact CG1-CG2 4.31Å; I718-V1004 HydrophobicContact CD1-CG1 4.29Å; I718-V1004 HydrophobicContact CG2-CG1 4.39Å; I718-V1004 WeakPolarHBondContact CG2-O 3.11Å; I718-F1006 HydrophobicContact CB-CD2 4.28Å; I718-F1006 HydrophobicContact CB-CE2 3.89Å; I718-F1006 HydrophobicContact CG2-CD2 4.06Å; I718-F1006 HydrophobicContact CG2-CE2 4.12Å; I718-L1012 HydrophobicContact CB-CD2 4.44Å; I718-L1012 HydrophobicContact CD1-CD2 3.9Å; I718-L1012 HydrophobicContact CG2-CD2 3.95Å
719	P	94.8	Very high	92	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.			trans	-78.2	165.4	-177.7	35	-37.6	0	0	0	112.7	G724 L725 K726 V851 A856 C1005 F1006	P719-G724 VanDerWaalsContact CB-C 3.46Å; P719-G724 WeakPolarHBondContact CB-O 3.34Å; P719-L725 WeakPolarHBondContact CA-O 3.48Å; P719-K726 HydrophobicContact CB-CG 4.47Å; P719-V851 HydrophobicContact CG-CG2 4.16Å; P719-A856 HydrophobicContact CG-CB 3.8Å; P719-C1005 WeakPolarHBondContact O-CA 3.4Å; P719-F1006 PolarHBondContact O-N 3.36Å
720	S	93.9	Very high	92.3	Very high	9 Å²	9	20.3 Å²	20.3	6%	0.063	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-70.9	145.9	158.8	175.4	0	0	0	0	110.2	V722 G724 L725	S720-V722 PolarHBondContact O-N 2.83Å; S720-V722 PolarHBondContact OG-N 3.33Å; S720-V722 VanDerWaalsContact OG-N 3.13Å; S720-G724 VanDerWaalsContact O-CA 3.25Å; S720-G724 WeakPolarHBondContact O-CA 3.03Å; S720-G724 PolarHBondContact O-N 3.41Å; S720-L725 PolarHBondContact N-O 2.89Å
721	V	94.5	Very high	92.6	Very high	2 Å²	2	21 Å²	21	1%	0.012	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.5	170.8	72.1	0	0	0	0	111.8	C1005 F1006 P1008 Y1015 I1021	V721-C1005 HydrophobicContact CB-CB 3.83Å; V721-C1005 HydrophobicContact CG2-CB 4.46Å; V721-F1006 WeakPolarHBondContact CB-O 3.09Å; V721-F1006 WeakPolarHBondContact CG1-O 3.27Å; V721-F1006 PolarHBondContact N-O 3.18Å; V721-P1008 HydrophobicContact CG1-CG 4.31Å; V721-Y1015 HydrophobicContact CG2-CE1 4.06Å; V721-Y1015 HydrophobicContact CG2-CE2 4.47Å; V721-I1021 HydrophobicContact CG2-CG2 4.07Å
722	V	94.1	Very high	93	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.024	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-57.8	-171.4	-167.8	0	0	0	0	112.3	S720 W843 P846 P1008 F1025 L1028	S720-V722 PolarHBondContact O-N 2.83Å; S720-V722 PolarHBondContact OG-N 3.33Å; S720-V722 VanDerWaalsContact OG-N 3.13Å; V722-W843 HydrophobicContact CB-CB 4.5Å; V722-W843 HydrophobicContact CB-CD2 4.08Å; V722-W843 HydrophobicContact CB-CE3 4.08Å; V722-W843 HydrophobicContact CB-CG 4.28Å; V722-W843 HydrophobicContact CG1-CD2 4.09Å; V722-W843 HydrophobicContact CG1-CE3 3.56Å; V722-W843 HydrophobicContact CG1-CZ3 3.82Å; V722-W843 HydrophobicContact CG2-CD2 4.07Å; V722-W843 HydrophobicContact CG2-CE3 4.36Å; V722-W843 HydrophobicContact CG2-CG 4.37Å; V722-P846 WeakPolarHBondContact O-CD 3.32Å; V722-P846 VanDerWaalsContact O-CG 3.24Å; V722-P846 WeakPolarHBondContact O-CG 3.11Å; V722-P1008 HydrophobicContact CG2-CB 4.25Å; V722-P1008 HydrophobicContact CG2-CG 3.97Å; V722-F1025 WeakPolarHBondContact O-CE2 3.33Å; V722-L1028 HydrophobicContact CB-CD2 4.15Å; V722-L1028 HydrophobicContact CG1-CD2 3.62Å; V722-L1028 HydrophobicContact CG2-CD2 3.41Å; V722-L1028 VanDerWaalsContact CG2-CD2 3.41Å
723	D	94.9	Very high	93.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-10.5	178.9	60.2	14.2	0	0	0	114.6	L725 R730 F821 W843 Y844 M850	D723-L725 HydrophobicContact CB-CB 4.46Å; D723-L725 HydrophobicContact CB-CD1 4.34Å; D723-L725 HydrophobicContact CB-CG 4.08Å; D723-L725 PolarHBondContact O-N 3.09Å; D723-L725 WeakPolarHBondContact OD1-CB 3.45Å; D723-L725 PolarHBondContact OD1-N 3.15Å; D723-R730 VanDerWaalsContact CG-NH2 3.35Å; D723-R730 IonicContact OD1-CZ 2.65Å; D723-R730 IonicContact OD1-NE 3.95Å; D723-R730 IonicContact OD1-NH2 2.75Å; D723-R730 PolarHBondContact OD1-NH2 3.03Å; D723-R730 IonicContact OD2-CZ 3.55Å; D723-R730 VanDerWaalsContact OD2-CZ 3.31Å; D723-R730 IonicContact OD2-NE 3.89Å; D723-R730 PolarHBondContact OD2-NE 3.44Å; D723-R730 IonicContact OD2-NH2 3.44Å; D723-R730 PolarHBondContact OD2-NH2 2.79Å; D723-R730 VanDerWaalsContact OD2-NH2 3.08Å; D723-F821 HydrophobicContact CB-CE1 4.18Å; D723-W843 WeakPolarHBondContact OD2-CA 3.42Å; D723-Y844 WeakPolarHBondContact CB-O 3.42Å; D723-Y844 PolarHBondContact OD2-N 3.04Å; D723-M850 WeakPolarHBondContact O-CB 3.26Å
724	G	94.6	Very high	93.6	Very high	10 Å²	10	18.4 Å²	18.4	10%	0.103	10%	0.096	C	C	.	.			trans	67.2	10	-172.5	0	0	0	0	0	114.2	P719 S720	P719-G724 VanDerWaalsContact CB-C 3.46Å; P719-G724 WeakPolarHBondContact CB-O 3.34Å; S720-G724 VanDerWaalsContact O-CA 3.25Å; S720-G724 WeakPolarHBondContact O-CA 3.03Å; S720-G724 PolarHBondContact O-N 3.41Å
725	L	95.6	Very high	93.8	Very high	10 Å²	10	18.4 Å²	18.4	5%	0.052	10%	0.095	C	C	.	.			trans	-101.8	151.8	-176.1	-55.4	-178	0	0	0	111.9	P719 S720 D723 Q729 R730 L733 L786 F821	P719-L725 WeakPolarHBondContact CA-O 3.48Å; S720-L725 PolarHBondContact N-O 2.89Å; D723-L725 HydrophobicContact CB-CB 4.46Å; D723-L725 HydrophobicContact CB-CD1 4.34Å; D723-L725 HydrophobicContact CB-CG 4.08Å; D723-L725 PolarHBondContact O-N 3.09Å; D723-L725 WeakPolarHBondContact OD1-CB 3.45Å; D723-L725 PolarHBondContact OD1-N 3.15Å; L725-Q729 HydrophobicContact CB-CB 4.28Å; L725-Q729 HydrophobicContact CD2-CB 4.19Å; L725-R730 PolarHBondContact O-NH2 2.79Å; L725-L733 HydrophobicContact CD1-CD2 3.73Å; L725-L786 HydrophobicContact CD2-CD1 4.25Å; L725-F821 HydrophobicContact CD1-CZ 4.38Å
726	K	94.8	Very high	94.1	Very high	42 Å²	42	15.5 Å²	15.5	18%	0.183	8%	0.082	C	C	.	.			trans	-94.2	155.9	165	-53.2	177.2	-164.4	-164.7	0	109.3	S717 P719 G728 Q729 R730 D857	S717-K726 WeakPolarHBondContact O-CE 2.99Å; S717-K726 PolarHBondContact O-NZ 3.02Å; P719-K726 HydrophobicContact CB-CG 4.47Å; K726-G728 VanDerWaalsContact C-N 3.26Å; K726-G728 PolarHBondContact O-N 3.35Å; K726-G728 VanDerWaalsContact O-N 3.09Å; K726-Q729 WeakPolarHBondContact O-CA 3.45Å; K726-Q729 WeakPolarHBondContact O-CB 3.21Å; K726-Q729 PolarHBondContact O-N 2.81Å; K726-R730 PolarHBondContact O-N 3.04Å; K726-D857 PolarHBondContact NZ-O 3.45Å
727	P	92	Very high	94.2	Very high	35 Å²	35	12.9 Å²	12.9	23%	0.227	7%	0.074	C	C	.	.	H	α-helix	trans	-50.8	-39.7	-177.8	-29.8	35.6	0	0	0	114.6	E715 Q729 R730 K731	E715-P727 WeakPolarHBondContact O-CD 3.48Å; E715-P727 WeakPolarHBondContact O-CG 3.22Å; P727-Q729 PolarHBondContact O-N 3.18Å; P727-R730 PolarHBondContact O-N 3.31Å; P727-K731 WeakPolarHBondContact O-CB 3.43Å; P727-K731 WeakPolarHBondContact O-CG 3.47Å; P727-K731 PolarHBondContact O-N 3.38Å
728	G	92.6	Very high	94.2	Very high	17 Å²	17	16.7 Å²	16.7	18%	0.175	9%	0.087	C	C	.	.	H	α-helix	trans	-63.7	-36	176.1	0	0	0	0	0	114.4	K726 V732	K726-G728 VanDerWaalsContact C-N 3.26Å; K726-G728 PolarHBondContact O-N 3.35Å; K726-G728 VanDerWaalsContact O-N 3.09Å; G728-V732 WeakPolarHBondContact O-CG2 3.43Å; G728-V732 PolarHBondContact O-N 2.87Å
729	Q	95.6	Very high	94	Very high	48 Å²	48	22 Å²	22	22%	0.224	11%	0.107	C	C	.	.	H	α-helix	trans	-73	-38.1	173.7	-66.4	164.9	-60.6	0	0	110.8	L725 K726 P727 V732 L733 T770 L774	L725-Q729 HydrophobicContact CB-CB 4.28Å; L725-Q729 HydrophobicContact CD2-CB 4.19Å; K726-Q729 WeakPolarHBondContact O-CA 3.45Å; K726-Q729 WeakPolarHBondContact O-CB 3.21Å; K726-Q729 PolarHBondContact O-N 2.81Å; P727-Q729 PolarHBondContact O-N 3.18Å; Q729-V732 WeakPolarHBondContact O-CB 3.15Å; Q729-V732 PolarHBondContact O-N 2.93Å; Q729-L733 PolarHBondContact O-N 3.35Å; Q729-T770 HydrophobicContact CB-CG2 4.35Å; Q729-T770 HydrophobicContact CG-CG2 3.67Å; Q729-L774 HydrophobicContact CB-CD1 4.09Å; Q729-L774 HydrophobicContact CB-CD2 4.29Å; Q729-L774 HydrophobicContact CG-CD1 4.21Å; Q729-L774 HydrophobicContact CG-CD2 4.09Å; Q729-L774 HydrophobicContact CG-CG 4.27Å
730	R	95.6	Very high	93.8	Very high	15 Å²	15	27.2 Å²	27.2	6%	0.057	14%	0.135	C	C	.	.	H	α-helix	trans	-65.2	-41.3	178.8	-160.2	175.8	-63.7	123.6	1.2	112.5	D723 L725 K726 P727 V732 L733 F734 E840 P841 E842 Y844	D723-R730 VanDerWaalsContact CG-NH2 3.35Å; D723-R730 IonicContact OD1-CZ 2.65Å; D723-R730 IonicContact OD1-NE 3.95Å; D723-R730 IonicContact OD1-NH2 2.75Å; D723-R730 PolarHBondContact OD1-NH2 3.03Å; D723-R730 IonicContact OD2-CZ 3.55Å; D723-R730 VanDerWaalsContact OD2-CZ 3.31Å; D723-R730 IonicContact OD2-NE 3.89Å; D723-R730 PolarHBondContact OD2-NE 3.44Å; D723-R730 IonicContact OD2-NH2 3.44Å; D723-R730 PolarHBondContact OD2-NH2 2.79Å; D723-R730 VanDerWaalsContact OD2-NH2 3.08Å; L725-R730 PolarHBondContact O-NH2 2.79Å; K726-R730 PolarHBondContact O-N 3.04Å; P727-R730 PolarHBondContact O-N 3.31Å; R730-V732 VanDerWaalsContact C-N 3.35Å; R730-V732 PolarHBondContact O-N 3.32Å; R730-L733 PolarHBondContact O-N 3.44Å; R730-F734 VanDerWaalsContact O-CB 3.25Å; R730-F734 WeakPolarHBondContact O-CB 3.31Å; R730-F734 PolarHBondContact O-N 2.95Å; R730-E840 HydrophobicContact CB-CG 4.26Å; R730-E840 HydrophobicContact CG-CB 4.11Å; R730-E840 HydrophobicContact CG-CG 3.99Å; R730-P841 WeakPolarHBondContact CD-O 3.36Å; R730-E842 PolarHBondContact NH1-O 2.98Å; R730-Y844 HydrophobicContact CG-CD2 3.81Å; R730-Y844 HydrophobicContact CG-CE2 3.79Å
731	K	94.9	Very high	93.6	Very high	21 Å²	21	27.4 Å²	27.4	9%	0.091	14%	0.135	C	C	.	.	H	α-helix	trans	-58.7	-41.2	171.1	-78.1	-178.6	-174.6	-62.6	0	113.1	P727 T735 V754 S758 Y760 E840	P727-K731 WeakPolarHBondContact O-CB 3.43Å; P727-K731 WeakPolarHBondContact O-CG 3.47Å; P727-K731 PolarHBondContact O-N 3.38Å; K731-T735 WeakPolarHBondContact O-CB 3.24Å; K731-T735 PolarHBondContact O-N 3.4Å; K731-T735 VanDerWaalsContact O-N 3.07Å; K731-T735 PolarHBondContact O-OG1 3.44Å; K731-V754 HydrophobicContact CB-CG1 4.04Å; K731-S758 WeakPolarHBondContact CB-OG 3.25Å; K731-S758 PolarHBondContact NZ-O 2.95Å; K731-Y760 HydrophobicContact CD-CD2 3.71Å; K731-E840 WeakPolarHBondContact CE-OE1 3.44Å; K731-E840 HydrophobicContact CG-CG 4.13Å; K731-E840 VanDerWaalsContact CG-OE1 3.3Å; K731-E840 WeakPolarHBondContact CG-OE1 3.49Å; K731-E840 WeakPolarHBondContact CG-OE2 3.47Å; K731-E840 IonicContact NZ-OE1 3.89Å; K731-E840 PolarHBondContact NZ-OE1 2.91Å; K731-E840 IonicContact NZ-OE2 3.41Å; K731-E840 PolarHBondContact NZ-OE2 3.3Å
732	V	95.3	Very high	93.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.7	-51.8	173.8	171.7	0	0	0	0	110.6	G728 Q729 R730 F734 T735 C736 V754 L767 T770 I771 L774 L787	G728-V732 WeakPolarHBondContact O-CG2 3.43Å; G728-V732 PolarHBondContact O-N 2.87Å; Q729-V732 WeakPolarHBondContact O-CB 3.15Å; Q729-V732 PolarHBondContact O-N 2.93Å; R730-V732 VanDerWaalsContact C-N 3.35Å; R730-V732 PolarHBondContact O-N 3.32Å; V732-F734 PolarHBondContact O-N 3.05Å; V732-T735 PolarHBondContact O-N 3.03Å; V732-C736 PolarHBondContact O-N 3.17Å; V732-C736 PolarHBondContact O-SG 2.9Å; V732-V754 HydrophobicContact CG2-CG1 4.25Å; V732-V754 HydrophobicContact CG2-CG2 4.19Å; V732-L767 HydrophobicContact CG2-CG 4.47Å; V732-T770 HydrophobicContact CG2-CG2 4.31Å; V732-I771 HydrophobicContact CB-CG1 4.48Å; V732-I771 HydrophobicContact CG1-CG1 3.77Å; V732-I771 HydrophobicContact CG2-CD1 4.47Å; V732-I771 HydrophobicContact CG2-CG1 3.78Å; V732-L774 HydrophobicContact CB-CD1 4.14Å; V732-L774 HydrophobicContact CG1-CD1 3.91Å; V732-L787 HydrophobicContact CG1-CD1 3.96Å
733	L	95.2	Very high	93.2	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-58.9	-48.2	179.1	178.7	61.2	0	0	0	112	L725 Q729 R730 T735 C736 L737 L813 T817 F821 Y844	L725-L733 HydrophobicContact CD1-CD2 3.73Å; Q729-L733 PolarHBondContact O-N 3.35Å; R730-L733 PolarHBondContact O-N 3.44Å; L733-T735 VanDerWaalsContact C-N 3.29Å; L733-T735 PolarHBondContact O-N 3.37Å; L733-C736 PolarHBondContact O-N 3.26Å; L733-C736 VanDerWaalsContact O-N 3.12Å; L733-L737 HydrophobicContact CD1-CD1 3.98Å; L733-L737 HydrophobicContact CD1-CG 4.06Å; L733-L737 HydrophobicContact CG-CD1 3.9Å; L733-L737 HydrophobicContact CG-CG 4.38Å; L733-L737 WeakPolarHBondContact O-CG 3.47Å; L733-L737 PolarHBondContact O-N 2.97Å; L733-L813 HydrophobicContact CD1-CD1 4.25Å; L733-T817 HydrophobicContact CD1-CG2 3.72Å; L733-F821 HydrophobicContact CD1-CD2 4.48Å; L733-F821 HydrophobicContact CD2-CD2 3.8Å; L733-F821 HydrophobicContact CD2-CE1 4.42Å; L733-F821 HydrophobicContact CD2-CE2 3.57Å; L733-F821 HydrophobicContact CD2-CG 4.34Å; L733-F821 HydrophobicContact CD2-CZ 3.9Å; L733-Y844 HydrophobicContact CD2-CD2 3.94Å; L733-Y844 HydrophobicContact CD2-CE2 4.04Å; L733-Y844 HydrophobicContact CD2-CG 4.39Å; L733-Y844 HydrophobicContact CG-CE2 4.3Å
734	F	94.5	Very high	93.1	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.035	23%	0.228	C	C	.	.	H	α-helix	trans	-53.8	-45	175.2	169.8	-108.5	0	0	0	112.1	R730 V732 L737 K738 L757 Y831 R838 I839 E840 Y844	R730-F734 VanDerWaalsContact O-CB 3.25Å; R730-F734 WeakPolarHBondContact O-CB 3.31Å; R730-F734 PolarHBondContact O-N 2.95Å; V732-F734 PolarHBondContact O-N 3.05Å; F734-L737 PolarHBondContact O-N 3.24Å; F734-K738 HydrophobicContact CD1-CD 4.42Å; F734-K738 HydrophobicContact CE1-CD 3.66Å; F734-K738 HydrophobicContact CE2-CD 4.09Å; F734-K738 HydrophobicContact CZ-CD 3.48Å; F734-K738 VanDerWaalsContact CZ-CD 3.48Å; F734-K738 WeakPolarHBondContact O-CB 3.44Å; F734-K738 PolarHBondContact O-N 3.46Å; F734-L757 WeakPolarHBondContact CE1-O 3.48Å; F734-Y831 HydrophobicContact CD2-CE1 4.29Å; F734-Y831 HydrophobicContact CE2-CD1 4.24Å; F734-Y831 AromaticContact CE2-CE1 3.93Å; F734-Y831 HydrophobicContact CE2-CE1 3.93Å; F734-R838 WeakPolarHBondContact CZ-O 3.45Å; F734-I839 VanDerWaalsContact CE1-C 3.43Å; F734-I839 WeakPolarHBondContact CE2-O 3.31Å; F734-I839 WeakPolarHBondContact CZ-O 3.37Å; F734-E840 HydrophobicContact CB-CB 3.76Å; F734-E840 HydrophobicContact CD1-CB 4.3Å; F734-E840 HydrophobicContact CD2-CB 4.46Å; F734-E840 HydrophobicContact CG-CB 3.95Å; F734-Y844 WeakPolarHBondContact CA-OH 3.29Å
735	T	93.8	Very high	93.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.3	-40.8	177.8	-55.3	0	0	0	0	112	K731 V732 L733 R739 L750 V754 L757	K731-T735 WeakPolarHBondContact O-CB 3.24Å; K731-T735 PolarHBondContact O-N 3.4Å; K731-T735 VanDerWaalsContact O-N 3.07Å; K731-T735 PolarHBondContact O-OG1 3.44Å; V732-T735 PolarHBondContact O-N 3.03Å; L733-T735 VanDerWaalsContact C-N 3.29Å; L733-T735 PolarHBondContact O-N 3.37Å; T735-R739 HydrophobicContact CG2-CG 4.45Å; T735-R739 WeakPolarHBondContact O-CB 3.31Å; T735-R739 VanDerWaalsContact O-CG 3.29Å; T735-R739 WeakPolarHBondContact O-CG 3.46Å; T735-R739 PolarHBondContact O-N 2.99Å; T735-L750 HydrophobicContact CG2-CD1 4.39Å; T735-V754 HydrophobicContact CG2-CB 4.41Å; T735-V754 HydrophobicContact CG2-CG2 3.78Å; T735-L757 HydrophobicContact CG2-CB 4.4Å; T735-L757 HydrophobicContact CG2-CD1 4.1Å
736	C	94.5	Very high	93.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.6	-38.5	177	-65.9	0	0	0	0	112.5	V732 L733 N740 L741 L813	V732-C736 PolarHBondContact O-N 3.17Å; V732-C736 PolarHBondContact O-SG 2.9Å; L733-C736 PolarHBondContact O-N 3.26Å; L733-C736 VanDerWaalsContact O-N 3.12Å; C736-N740 PolarHBondContact O-N 3.43Å; C736-L741 HydrophobicContact CB-CB 4.18Å; C736-L741 HydrophobicContact CB-CD2 4.22Å; C736-L741 WeakPolarHBondContact O-CB 3.5Å; C736-L741 PolarHBondContact O-N 3.29Å; C736-L813 HydrophobicContact CB-CD1 4.1Å
737	L	92.9	Very high	93.2	Very high	22 Å²	22	50.3 Å²	50.3	12%	0.115	23%	0.232	C	C	.	.	H	α-helix	trans	-70.9	-49.6	175.4	-67.5	172.9	0	0	0	111.4	L733 F734 R739 N740 L813 Y844	L733-L737 HydrophobicContact CD1-CD1 3.98Å; L733-L737 HydrophobicContact CD1-CG 4.06Å; L733-L737 HydrophobicContact CG-CD1 3.9Å; L733-L737 HydrophobicContact CG-CG 4.38Å; L733-L737 WeakPolarHBondContact O-CG 3.47Å; L733-L737 PolarHBondContact O-N 2.97Å; F734-L737 PolarHBondContact O-N 3.24Å; L737-R739 PolarHBondContact O-N 3.48Å; L737-N740 PolarHBondContact O-N 3.45Å; L737-L813 HydrophobicContact CD2-CD2 3.92Å; L737-Y844 HydrophobicContact CD1-CE1 3.73Å
738	K	90.1	Very high	93.3	Very high	103 Å²	103	49.9 Å²	49.9	45%	0.448	23%	0.232	S	C	.	.	H	α-helix	trans	-59.1	-27.1	177.9	-178.1	172.1	175.4	-179.6	0	113.4	F734 L757 R838	F734-K738 HydrophobicContact CD1-CD 4.42Å; F734-K738 HydrophobicContact CE1-CD 3.66Å; F734-K738 HydrophobicContact CE2-CD 4.09Å; F734-K738 HydrophobicContact CZ-CD 3.48Å; F734-K738 VanDerWaalsContact CZ-CD 3.48Å; F734-K738 WeakPolarHBondContact O-CB 3.44Å; F734-K738 PolarHBondContact O-N 3.46Å; K738-L757 PolarHBondContact NZ-O 3.01Å; K738-R838 PolarHBondContact NZ-O 3.15Å
739	R	90.4	Very high	93.4	Very high	114 Å²	114	54.4 Å²	54.4	43%	0.43	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-1.4	174.3	-64.9	-179.4	71.8	114.7	0.3	114.3	T735 L737 L741 S753 L757	T735-R739 HydrophobicContact CG2-CG 4.45Å; T735-R739 WeakPolarHBondContact O-CB 3.31Å; T735-R739 VanDerWaalsContact O-CG 3.29Å; T735-R739 WeakPolarHBondContact O-CG 3.46Å; T735-R739 PolarHBondContact O-N 2.99Å; L737-R739 PolarHBondContact O-N 3.48Å; R739-L741 PolarHBondContact O-N 3.13Å; R739-S753 PolarHBondContact NH1-OG 3.31Å; R739-L757 HydrophobicContact CG-CD1 3.86Å
740	N	89.1	Confident	93.4	Very high	108 Å²	108	52.1 Å²	52.1	58%	0.578	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	42.6	62.1	-170.1	-166.7	15.3	0	0	0	112.8	C736 L737 I742	C736-N740 PolarHBondContact O-N 3.43Å; L737-N740 PolarHBondContact O-N 3.45Å; N740-I742 VanDerWaalsContact C-N 3.25Å; N740-I742 PolarHBondContact O-N 3.21Å; N740-I742 WeakPolarHBondContact OD1-CD1 3.38Å
741	L	90.6	Very high	93.3	Very high	13 Å²	13	51.4 Å²	51.4	7%	0.068	24%	0.235	C	C	.	.			trans	-74.8	66.3	-166.1	-168.4	70.4	0	0	0	114	C736 R739 I745 L750 L813	C736-L741 HydrophobicContact CB-CB 4.18Å; C736-L741 HydrophobicContact CB-CD2 4.22Å; C736-L741 WeakPolarHBondContact O-CB 3.5Å; C736-L741 PolarHBondContact O-N 3.29Å; R739-L741 PolarHBondContact O-N 3.13Å; L741-I745 HydrophobicContact CD1-CB 4.16Å; L741-I745 HydrophobicContact CD1-CG2 3.71Å; L741-I745 HydrophobicContact CD2-CG2 3.77Å; L741-I745 HydrophobicContact CG-CG2 4.24Å; L741-L750 HydrophobicContact CD2-CD1 4.06Å; L741-L750 HydrophobicContact CD2-CD2 4.04Å; L741-L813 WeakPolarHBondContact O-CB 3.34Å; L741-L813 PolarHBondContact O-N 3.07Å
742	I	88.3	Confident	93.2	Very high	122 Å²	122	51.6 Å²	51.6	63%	0.626	24%	0.243	S	C	*	.			trans	-80.5	-32.5	175.4	-59.6	168.2	0	0	0	111.2	N740	N740-I742 VanDerWaalsContact C-N 3.25Å; N740-I742 PolarHBondContact O-N 3.21Å; N740-I742 WeakPolarHBondContact OD1-CD1 3.38Å
743	R	91.7	Very high	93.1	Very high	219 Å²	219	52.2 Å²	52.2	83%	0.826	25%	0.247	S	C	*	.	S	Bend	trans	-88.1	144.4	178.1	-64.4	-177.5	-178.3	173.9	2.1	110.8
744	E	93.6	Very high	93	Very high	115 Å²	115	52.1 Å²	52.1	54%	0.537	25%	0.247	S	C	.	.			trans	-62.4	139	179.4	67.4	174.8	-171.6	0	0	112.9	I790 F810 T811	E744-I790 HydrophobicContact CB-CD1 3.82Å; E744-F810 HydrophobicContact CB-CB 4.28Å; E744-F810 HydrophobicContact CB-CD1 4.39Å; E744-F810 HydrophobicContact CG-CD1 4.14Å; E744-T811 WeakPolarHBondContact CA-O 3.4Å
745	I	95.2	Very high	92.7	Very high	23 Å²	23	53 Å²	53	12%	0.118	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.4	175.8	-169.6	169.6	0	0	0	110.1	L741 Q749 L750 F810 T811	L741-I745 HydrophobicContact CD1-CB 4.16Å; L741-I745 HydrophobicContact CD1-CG2 3.71Å; L741-I745 HydrophobicContact CD2-CG2 3.77Å; L741-I745 HydrophobicContact CG-CG2 4.24Å; I745-Q749 HydrophobicContact CD1-CB 4.07Å; I745-Q749 HydrophobicContact CG1-CB 3.89Å; I745-L750 HydrophobicContact CD1-CB 4.5Å; I745-L750 HydrophobicContact CG2-CB 3.94Å; I745-L750 HydrophobicContact CG2-CD1 4.49Å; I745-L750 HydrophobicContact CG2-CD2 4.29Å; I745-L750 HydrophobicContact CG2-CG 4.48Å; I745-F810 CarbonylContact O-C 3.58Å; I745-F810 WeakPolarHBondContact O-CA 3.39Å; I745-T811 HydrophobicContact CG2-CG2 4.42Å; I745-T811 PolarHBondContact N-O 2.97Å; I745-T811 PolarHBondContact O-N 3.26Å
746	K	95.7	Very high	92.4	Very high	71 Å²	71	59.2 Å²	59.2	31%	0.309	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	139.6	174.3	-62.6	-177.7	174.2	-166.6	0	111	A748 Q749 L750 R807 I809 F810	K746-A748 PolarHBondContact O-N 3.01Å; K746-A748 VanDerWaalsContact O-N 3.17Å; K746-Q749 HydrophobicContact CB-CB 4.36Å; K746-Q749 HydrophobicContact CB-CG 4.17Å; K746-Q749 PolarHBondContact O-N 2.95Å; K746-L750 PolarHBondContact O-N 3.25Å; K746-R807 PolarHBondContact NZ-O 2.73Å; K746-I809 WeakPolarHBondContact CA-O 3.44Å; K746-F810 HydrophobicContact CD-CE1 4.37Å; K746-F810 HydrophobicContact CD-CZ 4.18Å; K746-F810 HydrophobicContact CG-CD1 3.82Å; K746-F810 HydrophobicContact CG-CD2 4.4Å; K746-F810 HydrophobicContact CG-CE1 3.48Å; K746-F810 VanDerWaalsContact CG-CE1 3.48Å; K746-F810 HydrophobicContact CG-CE2 4.1Å; K746-F810 HydrophobicContact CG-CG 4.28Å; K746-F810 HydrophobicContact CG-CZ 3.65Å
747	V	95.5	Very high	92.1	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-55.3	-38.2	179.6	173.3	0	0	0	0	112.2	L750 A751 M768 I771 I772 F793 P806 I809 T811	V747-L750 PolarHBondContact O-N 3.42Å; V747-A751 WeakPolarHBondContact O-CB 3.34Å; V747-A751 PolarHBondContact O-N 3.36Å; V747-M768 HydrophobicContact CG1-CB 4.33Å; V747-I771 HydrophobicContact CB-CG2 4.31Å; V747-I771 HydrophobicContact CG1-CB 3.93Å; V747-I771 HydrophobicContact CG1-CD1 4.27Å; V747-I771 HydrophobicContact CG1-CG2 3.72Å; V747-I771 HydrophobicContact CG2-CG2 3.91Å; V747-I772 HydrophobicContact CG1-CG1 4.34Å; V747-F793 HydrophobicContact CG2-CE1 3.97Å; V747-F793 HydrophobicContact CG2-CZ 3.71Å; V747-P806 HydrophobicContact CB-CB 4.08Å; V747-P806 HydrophobicContact CG1-CB 3.94Å; V747-P806 HydrophobicContact CG1-CG 4.4Å; V747-I809 HydrophobicContact CB-CD1 4.42Å; V747-I809 HydrophobicContact CB-CG1 4.19Å; V747-I809 HydrophobicContact CG2-CD1 3.92Å; V747-I809 HydrophobicContact CG2-CG1 3.81Å; V747-I809 PolarHBondContact N-O 3.35Å; V747-T811 HydrophobicContact CG2-CG2 4.3Å
748	A	94.5	Very high	91.8	Very high	26 Å²	26	60 Å²	60	22%	0.215	29%	0.288	C	S	.	.	H	α-helix	trans	-66	-34.8	175.2	0	0	0	0	0	113.9	K746 G752 M768 P806 R807	K746-A748 PolarHBondContact O-N 3.01Å; K746-A748 VanDerWaalsContact O-N 3.17Å; A748-G752 PolarHBondContact O-N 2.67Å; A748-M768 HydrophobicContact CB-CE 4.19Å; A748-P806 HydrophobicContact CB-CB 4.07Å; A748-P806 WeakPolarHBondContact CB-O 3.16Å; A748-P806 PolarHBondContact N-O 3.46Å; A748-R807 HydrophobicContact CB-CG 4.45Å
749	Q	94.3	Very high	91.5	Very high	112 Å²	112	55.5 Å²	55.5	52%	0.523	27%	0.271	S	S	.	.	H	α-helix	trans	-75.9	-35.2	177.2	-67.3	176.3	-71.8	0	0	111.3	I745 K746 S753	I745-Q749 HydrophobicContact CD1-CB 4.07Å; I745-Q749 HydrophobicContact CG1-CB 3.89Å; K746-Q749 HydrophobicContact CB-CB 4.36Å; K746-Q749 HydrophobicContact CB-CG 4.17Å; K746-Q749 PolarHBondContact O-N 2.95Å; Q749-S753 WeakPolarHBondContact O-CB 3.31Å; Q749-S753 PolarHBondContact O-N 2.84Å; Q749-S753 PolarHBondContact O-OG 3.4Å
750	L	94.9	Very high	91.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-42.4	171.5	-176.6	57.7	0	0	0	111.2	T735 L741 I745 K746 V747 G752 S753 V754 I771 T811	T735-L750 HydrophobicContact CG2-CD1 4.39Å; L741-L750 HydrophobicContact CD2-CD1 4.06Å; L741-L750 HydrophobicContact CD2-CD2 4.04Å; I745-L750 HydrophobicContact CD1-CB 4.5Å; I745-L750 HydrophobicContact CG2-CB 3.94Å; I745-L750 HydrophobicContact CG2-CD1 4.49Å; I745-L750 HydrophobicContact CG2-CD2 4.29Å; I745-L750 HydrophobicContact CG2-CG 4.48Å; K746-L750 PolarHBondContact O-N 3.25Å; V747-L750 PolarHBondContact O-N 3.42Å; L750-G752 PolarHBondContact O-N 2.97Å; L750-S753 CarbonylContact O-C 3.53Å; L750-S753 WeakPolarHBondContact O-CA 2.83Å; L750-S753 WeakPolarHBondContact O-CB 3.41Å; L750-S753 PolarHBondContact O-N 2.79Å; L750-S753 VanDerWaalsContact O-N 3.11Å; L750-V754 HydrophobicContact CD1-CG2 4.24Å; L750-V754 HydrophobicContact CG-CG2 4.32Å; L750-V754 VanDerWaalsContact O-CG2 3.25Å; L750-V754 WeakPolarHBondContact O-CG2 3.45Å; L750-V754 PolarHBondContact O-N 2.89Å; L750-I771 HydrophobicContact CB-CD1 4.19Å; L750-I771 HydrophobicContact CD2-CD1 4.12Å; L750-I771 HydrophobicContact CD2-CG1 4.3Å; L750-I771 HydrophobicContact CD2-CG2 4.05Å; L750-I771 HydrophobicContact CG-CD1 3.94Å; L750-T811 HydrophobicContact CD2-CG2 3.66Å
751	A	94.5	Very high	90.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.4	-47.6	177.1	0	0	0	0	0	112.7	V747 S753 V754 A755 L767 M768 I771	V747-A751 WeakPolarHBondContact O-CB 3.34Å; V747-A751 PolarHBondContact O-N 3.36Å; A751-S753 VanDerWaalsContact C-N 3.34Å; A751-S753 PolarHBondContact O-N 2.89Å; A751-V754 PolarHBondContact O-N 3.4Å; A751-A755 PolarHBondContact O-N 3.45Å; A751-L767 HydrophobicContact CB-CB 4.18Å; A751-M768 HydrophobicContact CB-CE 4.05Å; A751-M768 HydrophobicContact CB-CG 3.58Å; A751-I771 HydrophobicContact CB-CD1 4.06Å
752	G	92.2	Very high	90.1	Very high	25 Å²	25	53.2 Å²	53.2	26%	0.258	26%	0.259	S	S	.	.	H	α-helix	trans	-61.5	-40.7	173.3	0	0	0	0	0	112.8	A748 L750 V754 A755 E756	A748-G752 PolarHBondContact O-N 2.67Å; L750-G752 PolarHBondContact O-N 2.97Å; G752-V754 VanDerWaalsContact C-N 3.31Å; G752-V754 PolarHBondContact O-N 2.97Å; G752-A755 PolarHBondContact O-N 3.3Å; G752-E756 PolarHBondContact O-N 2.77Å
753	S	92.7	Very high	89.5	Confident	13 Å²	13	50 Å²	50	9%	0.091	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-34.5	175.8	-56.6	0	0	0	0	113.1	R739 Q749 L750 A751 L757	R739-S753 PolarHBondContact NH1-OG 3.31Å; Q749-S753 WeakPolarHBondContact O-CB 3.31Å; Q749-S753 PolarHBondContact O-N 2.84Å; Q749-S753 PolarHBondContact O-OG 3.4Å; L750-S753 CarbonylContact O-C 3.53Å; L750-S753 WeakPolarHBondContact O-CA 2.83Å; L750-S753 WeakPolarHBondContact O-CB 3.41Å; L750-S753 PolarHBondContact O-N 2.79Å; L750-S753 VanDerWaalsContact O-N 3.11Å; A751-S753 VanDerWaalsContact C-N 3.34Å; A751-S753 PolarHBondContact O-N 2.89Å; S753-L757 VanDerWaalsContact O-CB 3.28Å; S753-L757 WeakPolarHBondContact O-CB 3.26Å; S753-L757 WeakPolarHBondContact O-CG 3.19Å; S753-L757 PolarHBondContact O-N 2.95Å
754	V	93.1	Very high	89.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-72.2	-41.5	175.4	177.4	0	0	0	0	110	K731 V732 T735 L750 A751 G752 E756 S758 L767	K731-V754 HydrophobicContact CB-CG1 4.04Å; V732-V754 HydrophobicContact CG2-CG1 4.25Å; V732-V754 HydrophobicContact CG2-CG2 4.19Å; T735-V754 HydrophobicContact CG2-CB 4.41Å; T735-V754 HydrophobicContact CG2-CG2 3.78Å; L750-V754 HydrophobicContact CD1-CG2 4.24Å; L750-V754 HydrophobicContact CG-CG2 4.32Å; L750-V754 VanDerWaalsContact O-CG2 3.25Å; L750-V754 WeakPolarHBondContact O-CG2 3.45Å; L750-V754 PolarHBondContact O-N 2.89Å; A751-V754 PolarHBondContact O-N 3.4Å; G752-V754 VanDerWaalsContact C-N 3.31Å; G752-V754 PolarHBondContact O-N 2.97Å; V754-E756 VanDerWaalsContact C-N 3.33Å; V754-E756 PolarHBondContact O-N 3.17Å; V754-S758 WeakPolarHBondContact CG1-OG 3.4Å; V754-S758 WeakPolarHBondContact O-CB 3.43Å; V754-S758 PolarHBondContact O-N 3.35Å; V754-S758 VanDerWaalsContact O-N 3.09Å; V754-S758 PolarHBondContact O-OG 3Å; V754-L767 HydrophobicContact CB-CD2 3.82Å; V754-L767 HydrophobicContact CB-CG 4.3Å; V754-L767 HydrophobicContact CG1-CD1 4.43Å; V754-L767 HydrophobicContact CG1-CD2 3.67Å; V754-L767 HydrophobicContact CG1-CG 3.97Å
755	A	89.8	Confident	89	Confident	27 Å²	27	45.9 Å²	45.9	22%	0.223	25%	0.247	C	C	.	.	H	α-helix	trans	-60.1	-44	177.7	0	0	0	0	0	112.2	A751 G752 A759 Y760 L767	A751-A755 PolarHBondContact O-N 3.45Å; G752-A755 PolarHBondContact O-N 3.3Å; A755-A759 PolarHBondContact O-N 3.35Å; A755-Y760 PolarHBondContact O-N 3.44Å; A755-L767 HydrophobicContact CB-CD2 4.47Å
756	E	87.1	Confident	88.7	Confident	130 Å²	130	47.7 Å²	47.7	61%	0.607	26%	0.262	S	S	*	.	H	α-helix	trans	-62.9	-61.8	172.5	179.9	-175.2	-159.5	0	0	112.3	G752 V754 S758	G752-E756 PolarHBondContact O-N 2.77Å; V754-E756 VanDerWaalsContact C-N 3.33Å; V754-E756 PolarHBondContact O-N 3.17Å; E756-S758 VanDerWaalsContact C-N 3.35Å; E756-S758 PolarHBondContact O-N 3.31Å
757	L	88.1	Confident	88.5	Confident	38 Å²	38	44.3 Å²	44.3	20%	0.199	25%	0.247	C	C	.	.	H	α-helix	trans	-82	-7.8	-163.9	-67.5	169.5	0	0	0	115.3	F734 T735 K738 R739 S753	F734-L757 WeakPolarHBondContact CE1-O 3.48Å; T735-L757 HydrophobicContact CG2-CB 4.4Å; T735-L757 HydrophobicContact CG2-CD1 4.1Å; K738-L757 PolarHBondContact NZ-O 3.01Å; R739-L757 HydrophobicContact CG-CD1 3.86Å; S753-L757 VanDerWaalsContact O-CB 3.28Å; S753-L757 WeakPolarHBondContact O-CB 3.26Å; S753-L757 WeakPolarHBondContact O-CG 3.19Å; S753-L757 PolarHBondContact O-N 2.95Å
758	S	87.1	Confident	88.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.2	11.9	-179.4	76.9	0	0	0	0	114.4	K731 V754 E756 I839	K731-S758 WeakPolarHBondContact CB-OG 3.25Å; K731-S758 PolarHBondContact NZ-O 2.95Å; V754-S758 WeakPolarHBondContact CG1-OG 3.4Å; V754-S758 WeakPolarHBondContact O-CB 3.43Å; V754-S758 PolarHBondContact O-N 3.35Å; V754-S758 VanDerWaalsContact O-N 3.09Å; V754-S758 PolarHBondContact O-OG 3Å; E756-S758 VanDerWaalsContact C-N 3.35Å; E756-S758 PolarHBondContact O-N 3.31Å; S758-I839 WeakPolarHBondContact O-CG2 3.36Å
759	A	84.1	Confident	88.5	Confident	9 Å²	9	48.4 Å²	48.4	7%	0.074	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	63.8	-178.2	0	0	0	0	0	112.9	A755 H761 D834 I839	A755-A759 PolarHBondContact O-N 3.35Å; A759-H761 PolarHBondContact O-CD2 3.47Å; A759-H761 PolarHBondContact O-NE2 3.34Å; A759-D834 HydrophobicContact CB-CB 4.29Å; A759-I839 HydrophobicContact CB-CG2 4.03Å
760	Y	83.9	Confident	88.5	Confident	36 Å²	36	44.5 Å²	44.5	14%	0.141	25%	0.254	C	S	.	.			trans	-93.6	106.9	179.9	-173	-101.3	0	0	0	112	K731 A755 H762 S766 L767	K731-Y760 HydrophobicContact CD-CD2 3.71Å; A755-Y760 PolarHBondContact O-N 3.44Å; Y760-H762 VanDerWaalsContact C-N 3.31Å; Y760-H762 HydrophobicContact CD1-CB 4.28Å; Y760-H762 WeakPolarHBondContact CD1-O 3.34Å; Y760-H762 HydrophobicContact CE1-CB 3.55Å; Y760-H762 VanDerWaalsContact CE1-O 3.23Å; Y760-H762 WeakPolarHBondContact CE1-O 3.17Å; Y760-H762 AromaticContact CE2-CD2 3.84Å; Y760-H762 AromaticContact CZ-CD2 3.79Å; Y760-H762 PolarHBondContact O-N 2.9Å; Y760-S766 PolarHBondContact OH-OG 2.74Å; Y760-L767 HydrophobicContact CD1-CD1 3.72Å; Y760-L767 HydrophobicContact CD1-CD2 3.52Å; Y760-L767 HydrophobicContact CD1-CG 4.21Å; Y760-L767 HydrophobicContact CD2-CD1 3.85Å; Y760-L767 HydrophobicContact CE1-CD1 3.49Å; Y760-L767 VanDerWaalsContact CE1-CD1 3.49Å; Y760-L767 HydrophobicContact CE1-CD2 4Å; Y760-L767 HydrophobicContact CE1-CG 4.24Å; Y760-L767 HydrophobicContact CE2-CD1 3.64Å; Y760-L767 HydrophobicContact CG-CD1 3.86Å; Y760-L767 HydrophobicContact CG-CD2 3.85Å; Y760-L767 VanDerWaalsContact CZ-CD1 3.44Å
761	H	77.9	Confident	88.6	Confident	82 Å²	82	44.5 Å²	44.5	38%	0.38	25%	0.254	S	S	.	.			trans	-83.6	9	-171.8	-56.4	-73	0	0	0	115.7	K617 A759 D834 D835	K617-H761 PolarHBondContact NZ-CE1 3.42Å; K617-H761 VanDerWaalsContact NZ-CE1 3.31Å; K617-H761 PolarHBondContact NZ-NE2 3.08Å; A759-H761 PolarHBondContact O-CD2 3.47Å; A759-H761 PolarHBondContact O-NE2 3.34Å; H761-D834 IonicContact CD2-OD2 2.84Å; H761-D834 PolarHBondContact CD2-OD2 2.91Å; H761-D834 IonicContact CE1-OD2 3.47Å; H761-D834 IonicContact NE2-OD2 2.65Å; H761-D834 PolarHBondContact NE2-OD2 3.26Å; H761-D835 IonicContact CE1-OD2 3.37Å; H761-D835 PolarHBondContact CE1-OD2 2.94Å
762	H	77.9	Confident	88.7	Confident	69 Å²	69	45.4 Å²	45.4	32%	0.319	26%	0.259	S	S	.	.	S	Bend	trans	-113.7	164.4	178.3	-46.2	-62.4	0	0	0	112	D546 D548 R716 Y760 E764	D546-H762 IonicContact OD2-NE2 3.65Å; D548-H762 IonicContact OD2-NE2 3.62Å; R716-H762 VanDerWaalsContact CZ-NE2 3.28Å; R716-H762 PolarHBondContact NH2-NE2 2.98Å; Y760-H762 VanDerWaalsContact C-N 3.31Å; Y760-H762 HydrophobicContact CD1-CB 4.28Å; Y760-H762 WeakPolarHBondContact CD1-O 3.34Å; Y760-H762 HydrophobicContact CE1-CB 3.55Å; Y760-H762 VanDerWaalsContact CE1-O 3.23Å; Y760-H762 WeakPolarHBondContact CE1-O 3.17Å; Y760-H762 AromaticContact CE2-CD2 3.84Å; Y760-H762 AromaticContact CZ-CD2 3.79Å; Y760-H762 PolarHBondContact O-N 2.9Å; H762-E764 PolarHBondContact O-N 3.15Å
763	G	75.1	Confident	88.8	Confident	55 Å²	55	45.6 Å²	45.6	57%	0.567	26%	0.261	S	S	*	.			trans	-58.1	129.6	-177	0	0	0	0	0	113.2	Q765 S766	G763-Q765 PolarHBondContact O-N 3.34Å; G763-S766 PolarHBondContact O-N 3.29Å
764	E	86.4	Confident	89	Confident	91 Å²	91	45.3 Å²	45.3	43%	0.425	26%	0.258	S	S	.	.	H	α-helix	trans	-50.6	-26.9	-176.6	-58.4	-179.7	167.5	0	0	114.3	H762 S766 L767 M768	H762-E764 PolarHBondContact O-N 3.15Å; E764-S766 PolarHBondContact O-N 3.32Å; E764-L767 CarbonylContact O-C 3.39Å; E764-L767 WeakPolarHBondContact O-CA 3.35Å; E764-L767 VanDerWaalsContact O-CB 3.25Å; E764-L767 WeakPolarHBondContact O-CB 3.32Å; E764-L767 PolarHBondContact O-N 3.02Å; E764-M768 HydrophobicContact CB-CE 3.88Å; E764-M768 WeakPolarHBondContact O-CG 3.25Å; E764-M768 PolarHBondContact O-N 2.98Å; E764-M768 WeakPolarHBondContact OE2-CE 3.19Å
765	Q	88.1	Confident	89.1	Confident	157 Å²	157	45.3 Å²	45.3	73%	0.734	26%	0.258	S	S	*	.	H	α-helix	trans	-54.6	-34.5	176.5	-173.3	176.7	0.1	0	0	112.4	G763 M768 S769	G763-Q765 PolarHBondContact O-N 3.34Å; Q765-M768 PolarHBondContact O-N 2.68Å; Q765-S769 PolarHBondContact O-N 2.7Å; Q765-S769 VanDerWaalsContact O-N 3.08Å; Q765-S769 PolarHBondContact O-OG 3.05Å
766	S	89.7	Confident	89.4	Confident	61 Å²	61	45.5 Å²	45.5	43%	0.427	26%	0.255	S	S	.	.	H	α-helix	trans	-68.3	-39.7	174.8	-170.2	0	0	0	0	111.9	Y760 G763 E764 S769 T770	Y760-S766 PolarHBondContact OH-OG 2.74Å; G763-S766 PolarHBondContact O-N 3.29Å; E764-S766 PolarHBondContact O-N 3.32Å; S766-S769 PolarHBondContact O-N 3.37Å; S766-T770 WeakPolarHBondContact O-CB 3.26Å; S766-T770 PolarHBondContact O-N 3.45Å; S766-T770 PolarHBondContact O-OG1 2.89Å
767	L	92.4	Very high	89.7	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-45.1	172.7	-112.9	41.3	0	0	0	111.6	V732 A751 V754 A755 Y760 E764 S769 T770 I771	V732-L767 HydrophobicContact CG2-CG 4.47Å; A751-L767 HydrophobicContact CB-CB 4.18Å; V754-L767 HydrophobicContact CB-CD2 3.82Å; V754-L767 HydrophobicContact CB-CG 4.3Å; V754-L767 HydrophobicContact CG1-CD1 4.43Å; V754-L767 HydrophobicContact CG1-CD2 3.67Å; V754-L767 HydrophobicContact CG1-CG 3.97Å; A755-L767 HydrophobicContact CB-CD2 4.47Å; Y760-L767 HydrophobicContact CD1-CD1 3.72Å; Y760-L767 HydrophobicContact CD1-CD2 3.52Å; Y760-L767 HydrophobicContact CD1-CG 4.21Å; Y760-L767 HydrophobicContact CD2-CD1 3.85Å; Y760-L767 HydrophobicContact CE1-CD1 3.49Å; Y760-L767 VanDerWaalsContact CE1-CD1 3.49Å; Y760-L767 HydrophobicContact CE1-CD2 4Å; Y760-L767 HydrophobicContact CE1-CG 4.24Å; Y760-L767 HydrophobicContact CE2-CD1 3.64Å; Y760-L767 HydrophobicContact CG-CD1 3.86Å; Y760-L767 HydrophobicContact CG-CD2 3.85Å; Y760-L767 VanDerWaalsContact CZ-CD1 3.44Å; E764-L767 CarbonylContact O-C 3.39Å; E764-L767 WeakPolarHBondContact O-CA 3.35Å; E764-L767 VanDerWaalsContact O-CB 3.25Å; E764-L767 WeakPolarHBondContact O-CB 3.32Å; E764-L767 PolarHBondContact O-N 3.02Å; L767-S769 PolarHBondContact O-N 3.09Å; L767-T770 WeakPolarHBondContact O-CB 3.42Å; L767-T770 PolarHBondContact O-N 2.9Å; L767-T770 VanDerWaalsContact O-N 3.08Å; L767-I771 WeakPolarHBondContact O-CD1 3.5Å; L767-I771 VanDerWaalsContact O-CG1 3.28Å; L767-I771 WeakPolarHBondContact O-CG1 3.04Å; L767-I771 PolarHBondContact O-N 3.38Å
768	M	94.7	Very high	89.9	Confident	33 Å²	33	42.3 Å²	42.3	16%	0.163	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-44.3	177.3	-66.3	179.6	-162.3	0	0	111.7	V747 A748 A751 E764 Q765 T770 I772 P806	V747-M768 HydrophobicContact CG1-CB 4.33Å; A748-M768 HydrophobicContact CB-CE 4.19Å; A751-M768 HydrophobicContact CB-CE 4.05Å; A751-M768 HydrophobicContact CB-CG 3.58Å; E764-M768 HydrophobicContact CB-CE 3.88Å; E764-M768 WeakPolarHBondContact O-CG 3.25Å; E764-M768 PolarHBondContact O-N 2.98Å; E764-M768 WeakPolarHBondContact OE2-CE 3.19Å; Q765-M768 PolarHBondContact O-N 2.68Å; M768-T770 VanDerWaalsContact C-N 3.34Å; M768-I772 VanDerWaalsContact O-CG1 3.3Å; M768-I772 WeakPolarHBondContact O-CG1 3.5Å; M768-I772 PolarHBondContact O-N 2.85Å; M768-I772 VanDerWaalsContact O-N 3.08Å; M768-P806 HydrophobicContact CB-CB 4.2Å; M768-P806 HydrophobicContact CB-CG 3.73Å; M768-P806 HydrophobicContact CG-CB 4.04Å; M768-P806 HydrophobicContact CG-CG 4.07Å; M768-P806 HydrophobicContact SD-CB 3.64Å; M768-P806 HydrophobicContact SD-CG 3.74Å
769	S	93.7	Very high	90.1	Very high	78 Å²	78	42.9 Å²	42.9	55%	0.545	24%	0.244	S	C	.	.	H	α-helix	trans	-65.5	-35.2	173.2	-67.9	0	0	0	0	112.9	Q765 S766 L767 I772 G773	Q765-S769 PolarHBondContact O-N 2.7Å; Q765-S769 VanDerWaalsContact O-N 3.08Å; Q765-S769 PolarHBondContact O-OG 3.05Å; S766-S769 PolarHBondContact O-N 3.37Å; L767-S769 PolarHBondContact O-N 3.09Å; S769-I772 PolarHBondContact O-N 3.04Å; S769-G773 PolarHBondContact O-N 3.33Å
770	T	94.9	Very high	90.3	Very high	31 Å²	31	43 Å²	43	19%	0.19	25%	0.246	C	C	.	.	H	α-helix	trans	-67.8	-43.7	177.5	-60	0	0	0	0	111.7	Q729 V732 S766 L767 M768 G773 L774	Q729-T770 HydrophobicContact CB-CG2 4.35Å; Q729-T770 HydrophobicContact CG-CG2 3.67Å; V732-T770 HydrophobicContact CG2-CG2 4.31Å; S766-T770 WeakPolarHBondContact O-CB 3.26Å; S766-T770 PolarHBondContact O-N 3.45Å; S766-T770 PolarHBondContact O-OG1 2.89Å; L767-T770 WeakPolarHBondContact O-CB 3.42Å; L767-T770 PolarHBondContact O-N 2.9Å; L767-T770 VanDerWaalsContact O-N 3.08Å; M768-T770 VanDerWaalsContact C-N 3.34Å; T770-G773 PolarHBondContact O-N 3.04Å; T770-L774 HydrophobicContact CG2-CD1 4.28Å; T770-L774 WeakPolarHBondContact O-CG 3.31Å; T770-L774 PolarHBondContact O-N 3.49Å
771	I	96.3	Very high	90.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.8	-43.9	174.9	-66.8	159.3	0	0	0	110.4	V732 V747 L750 A751 L767 L774 A775 L787 T811	V732-I771 HydrophobicContact CB-CG1 4.48Å; V732-I771 HydrophobicContact CG1-CG1 3.77Å; V732-I771 HydrophobicContact CG2-CD1 4.47Å; V732-I771 HydrophobicContact CG2-CG1 3.78Å; V747-I771 HydrophobicContact CB-CG2 4.31Å; V747-I771 HydrophobicContact CG1-CB 3.93Å; V747-I771 HydrophobicContact CG1-CD1 4.27Å; V747-I771 HydrophobicContact CG1-CG2 3.72Å; V747-I771 HydrophobicContact CG2-CG2 3.91Å; L750-I771 HydrophobicContact CB-CD1 4.19Å; L750-I771 HydrophobicContact CD2-CD1 4.12Å; L750-I771 HydrophobicContact CD2-CG1 4.3Å; L750-I771 HydrophobicContact CD2-CG2 4.05Å; L750-I771 HydrophobicContact CG-CD1 3.94Å; A751-I771 HydrophobicContact CB-CD1 4.06Å; L767-I771 WeakPolarHBondContact O-CD1 3.5Å; L767-I771 VanDerWaalsContact O-CG1 3.28Å; L767-I771 WeakPolarHBondContact O-CG1 3.04Å; L767-I771 PolarHBondContact O-N 3.38Å; I771-L774 PolarHBondContact O-N 2.68Å; I771-A775 PolarHBondContact O-N 2.8Å; I771-L787 HydrophobicContact CG2-CD1 3.98Å; I771-T811 HydrophobicContact CG2-CG2 4.02Å
772	I	96.5	Very high	91.6	Very high	18 Å²	18	39.4 Å²	39.4	9%	0.092	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-48.6	175.2	-71	166.2	0	0	0	110.5	V747 M768 S769 L774 A775 Q776 F793 A803 P806 I809	V747-I772 HydrophobicContact CG1-CG1 4.34Å; M768-I772 VanDerWaalsContact O-CG1 3.3Å; M768-I772 WeakPolarHBondContact O-CG1 3.5Å; M768-I772 PolarHBondContact O-N 2.85Å; M768-I772 VanDerWaalsContact O-N 3.08Å; S769-I772 PolarHBondContact O-N 3.04Å; I772-L774 VanDerWaalsContact C-N 3.32Å; I772-L774 PolarHBondContact O-N 2.83Å; I772-A775 PolarHBondContact O-N 2.87Å; I772-Q776 HydrophobicContact CG2-CG 4.27Å; I772-Q776 WeakPolarHBondContact O-CG 3.19Å; I772-Q776 PolarHBondContact O-N 3.14Å; I772-Q776 VanDerWaalsContact O-N 3.07Å; I772-F793 HydrophobicContact CB-CD1 4.3Å; I772-F793 HydrophobicContact CG1-CD1 4.19Å; I772-F793 HydrophobicContact CG1-CE1 4.17Å; I772-F793 HydrophobicContact CG2-CD1 4.16Å; I772-A803 HydrophobicContact CD1-CB 4.44Å; I772-A803 HydrophobicContact CG2-CB 4.09Å; I772-P806 HydrophobicContact CD1-CG 4.21Å; I772-I809 HydrophobicContact CD1-CD1 3.9Å; I772-I809 HydrophobicContact CG1-CD1 3.78Å
773	G	95.2	Very high	92.4	Very high	29 Å²	29	36.3 Å²	36.3	30%	0.299	22%	0.22	S	C	.	.	H	α-helix	trans	-61.1	-35.2	179.2	0	0	0	0	0	114	S769 T770 A775 N782	S769-G773 PolarHBondContact O-N 3.33Å; T770-G773 PolarHBondContact O-N 3.04Å; G773-A775 VanDerWaalsContact C-N 3.28Å; G773-A775 PolarHBondContact O-N 2.71Å; G773-N782 PolarHBondContact O-ND2 2.71Å
774	L	96.3	Very high	93.3	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.042	19%	0.194	C	C	.	.	H	α-helix	trans	-73.6	-15	175.5	-73.4	172.7	0	0	0	114.2	Q729 V732 T770 I771 I772 L786 L787	Q729-L774 HydrophobicContact CB-CD1 4.09Å; Q729-L774 HydrophobicContact CB-CD2 4.29Å; Q729-L774 HydrophobicContact CG-CD1 4.21Å; Q729-L774 HydrophobicContact CG-CD2 4.09Å; Q729-L774 HydrophobicContact CG-CG 4.27Å; V732-L774 HydrophobicContact CB-CD1 4.14Å; V732-L774 HydrophobicContact CG1-CD1 3.91Å; T770-L774 HydrophobicContact CG2-CD1 4.28Å; T770-L774 WeakPolarHBondContact O-CG 3.31Å; T770-L774 PolarHBondContact O-N 3.49Å; I771-L774 PolarHBondContact O-N 2.68Å; I772-L774 VanDerWaalsContact C-N 3.32Å; I772-L774 PolarHBondContact O-N 2.83Å; L774-L786 HydrophobicContact CD2-CD1 4.43Å; L774-L786 PolarHBondContact O-N 2.77Å; L774-L786 VanDerWaalsContact O-N 3.16Å; L774-L787 HydrophobicContact CB-CD1 3.93Å; L774-L787 HydrophobicContact CB-CG 4.17Å; L774-L787 HydrophobicContact CD1-CD1 4.45Å; L774-L787 PolarHBondContact O-N 3.47Å
775	A	96.6	Very high	93.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-102.2	-22.3	-179.5	0	0	0	0	0	114	I771 I772 G773 L787 P789 F793	I771-A775 PolarHBondContact O-N 2.8Å; I772-A775 PolarHBondContact O-N 2.87Å; G773-A775 VanDerWaalsContact C-N 3.28Å; G773-A775 PolarHBondContact O-N 2.71Å; A775-L787 WeakPolarHBondContact CA-O 3.42Å; A775-L787 HydrophobicContact CB-CB 3.94Å; A775-P789 HydrophobicContact CB-CB 4.38Å; A775-P789 WeakPolarHBondContact O-CB 3.42Å; A775-P789 WeakPolarHBondContact O-CD 3.38Å; A775-P789 WeakPolarHBondContact O-CG 3.32Å; A775-F793 HydrophobicContact CB-CD1 3.54Å; A775-F793 HydrophobicContact CB-CE1 3.49Å; A775-F793 VanDerWaalsContact CB-CE1 3.49Å; A775-F793 HydrophobicContact CB-CG 4.37Å; A775-F793 HydrophobicContact CB-CZ 4.31Å
776	Q	95.1	Very high	94.1	Very high	30 Å²	30	22.9 Å²	22.9	14%	0.14	14%	0.143	C	C	.	.			trans	-59.6	137.3	-177.2	-81.9	169.3	-14.1	0	0	113.1	I772 F778 S781 N782 F793 G800	I772-Q776 HydrophobicContact CG2-CG 4.27Å; I772-Q776 WeakPolarHBondContact O-CG 3.19Å; I772-Q776 PolarHBondContact O-N 3.14Å; I772-Q776 VanDerWaalsContact O-N 3.07Å; Q776-F778 HydrophobicContact CB-CD1 4.27Å; Q776-F778 HydrophobicContact CB-CE1 3.98Å; Q776-F778 HydrophobicContact CG-CD1 4.31Å; Q776-F778 HydrophobicContact CG-CE1 3.84Å; Q776-S781 PolarHBondContact O-OG 2.75Å; Q776-N782 PolarHBondContact O-ND2 2.65Å; Q776-F793 HydrophobicContact CG-CB 4.32Å; Q776-F793 WeakPolarHBondContact CG-O 3.15Å; Q776-F793 PolarHBondContact NE2-O 3.45Å; Q776-G800 PolarHBondContact NE2-O 3.45Å
777	N	93.2	Very high	94.4	Very high	77 Å²	77	20 Å²	20	41%	0.412	12%	0.123	S	C	.	.			trans	-133.5	10.2	-172.1	67.8	-28.7	0	0	0	114	S781 P789	N777-S781 PolarHBondContact N-OG 3.49Å; N777-P789 HydrophobicContact CB-CG 4.36Å
778	F	92.1	Very high	94.5	Very high	24 Å²	24	23.5 Å²	23.5	11%	0.105	14%	0.139	C	C	.	.	S	Bend	trans	-77.4	158.4	177.1	64.7	-99	0	0	0	111.8	Q776 G780 S781 G794 G799 W934	Q776-F778 HydrophobicContact CB-CD1 4.27Å; Q776-F778 HydrophobicContact CB-CE1 3.98Å; Q776-F778 HydrophobicContact CG-CD1 4.31Å; Q776-F778 HydrophobicContact CG-CE1 3.84Å; F778-G780 PolarHBondContact O-N 2.9Å; F778-S781 PolarHBondContact N-OG 2.57Å; F778-S781 VanDerWaalsContact N-OG 3.09Å; F778-S781 WeakPolarHBondContact O-CB 3.37Å; F778-S781 PolarHBondContact O-N 3.37Å; F778-S781 PolarHBondContact O-OG 3.25Å; F778-G794 WeakPolarHBondContact CD1-O 3.29Å; F778-G799 VanDerWaalsContact CZ-C 3.43Å; F778-W934 HydrophobicContact CD2-CZ3 4.35Å; F778-W934 AromaticContact CE2-CH2 3.9Å; F778-W934 HydrophobicContact CE2-CH2 3.9Å; F778-W934 AromaticContact CE2-CZ3 3.8Å; F778-W934 HydrophobicContact CE2-CZ3 3.8Å
779	V	91.7	Very high	94.4	Very high	13 Å²	13	23.6 Å²	23.6	8%	0.079	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	119.6	-177.3	-173	0	0	0	0	111.6	G897 F898 I931	V779-G897 WeakPolarHBondContact CG2-O 3.5Å; V779-F898 HydrophobicContact CG1-CB 3.72Å; V779-F898 HydrophobicContact CG1-CD2 4.15Å; V779-F898 HydrophobicContact CG1-CG 4.43Å; V779-I931 HydrophobicContact CG1-CD1 4.03Å
780	G	89.5	Confident	94.4	Very high	11 Å²	11	22.4 Å²	22.4	11%	0.113	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	11	-175.6	0	0	0	0	0	115.5	F778	F778-G780 PolarHBondContact O-N 2.9Å
781	S	92.8	Very high	94.3	Very high	19 Å²	19	23.4 Å²	23.4	13%	0.133	15%	0.146	C	C	.	.	S	Bend	trans	-100.1	-124.6	165.3	66.9	0	0	0	0	111	Q776 N777 F778 N869	Q776-S781 PolarHBondContact O-OG 2.75Å; N777-S781 PolarHBondContact N-OG 3.49Å; F778-S781 PolarHBondContact N-OG 2.57Å; F778-S781 VanDerWaalsContact N-OG 3.09Å; F778-S781 WeakPolarHBondContact O-CB 3.37Å; F778-S781 PolarHBondContact O-N 3.37Å; F778-S781 PolarHBondContact O-OG 3.25Å; S781-N869 PolarHBondContact O-ND2 2.84Å
782	N	95	Very high	94.1	Very high	23 Å²	23	27.3 Å²	27.3	12%	0.123	16%	0.164	C	C	.	.			trans	-79.6	142.1	176.2	-57.2	-71.2	0	0	0	110.8	G773 Q776 N785 N854	G773-N782 PolarHBondContact O-ND2 2.71Å; Q776-N782 PolarHBondContact O-ND2 2.65Å; N782-N785 HydrophobicContact CB-CB 4.23Å; N782-N854 WeakPolarHBondContact CB-OD1 3.46Å
783	N	94.5	Very high	94	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.027	16%	0.16	C	C	.	.	S	Bend	trans	-76.9	-33.7	163.3	-76	-3.1	0	0	0	110.6	V853 N854 Y870 N894 F895 R896	N783-V853 HydrophobicContact CB-CG1 4.34Å; N783-V853 WeakPolarHBondContact CB-O 3.31Å; N783-V853 PolarHBondContact ND2-O 2.8Å; N783-N854 PolarHBondContact N-OD1 2.92Å; N783-Y870 PolarHBondContact ND2-O 3.07Å; N783-N894 PolarHBondContact ND2-O 3.26Å; N783-F895 WeakPolarHBondContact OD1-CA 3.4Å; N783-R896 WeakPolarHBondContact O-CD 3.47Å; N783-R896 PolarHBondContact OD1-N 3.32Å
784	L	94.4	Very high	93.9	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.016	15%	0.149	C	C	.	.	S	Bend	trans	-135.5	94.7	176.6	-161.1	164.9	0	0	0	109.4	L786 L816 I820 V853 N854 Y1181	L784-L786 HydrophobicContact CD2-CD2 4.2Å; L784-L786 PolarHBondContact O-N 2.74Å; L784-L816 HydrophobicContact CD1-CD1 4.18Å; L784-L816 HydrophobicContact CD2-CB 4.21Å; L784-L816 HydrophobicContact CD2-CD1 4.28Å; L784-L816 HydrophobicContact CG-CD1 4.1Å; L784-I820 HydrophobicContact CD1-CD1 3.71Å; L784-I820 HydrophobicContact CD2-CD1 3.51Å; L784-I820 HydrophobicContact CG-CD1 4.27Å; L784-V853 HydrophobicContact CB-CG1 3.78Å; L784-N854 PolarHBondContact N-OD1 3.43Å; L784-N854 PolarHBondContact O-ND2 3.26Å; L784-N854 PolarHBondContact O-OD1 2.92Å; L784-Y1181 HydrophobicContact CD1-CD2 4Å; L784-Y1181 HydrophobicContact CD1-CE2 4.09Å
785	N	94.8	Very high	93.7	Very high	13 Å²	13	25.6 Å²	25.6	7%	0.07	15%	0.15	C	C	.	.			trans	-67	126	176.3	54.2	-72.4	0	0	0	110.7	N782 L787 N814	N782-N785 HydrophobicContact CB-CB 4.23Å; N785-L787 VanDerWaalsContact C-N 3.3Å; N785-L787 PolarHBondContact ND2-O 2.96Å; N785-N814 WeakPolarHBondContact O-CB 3.4Å; N785-N814 PolarHBondContact O-ND2 3.23Å
786	L	95.7	Very high	93.4	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	15%	0.151	C	C	.	.	S	Bend	trans	-78.2	-17.9	-178.6	-61.2	-178.7	0	0	0	112.8	L725 L774 L784 N814 T817 I820 F821 M850	L725-L786 HydrophobicContact CD2-CD1 4.25Å; L774-L786 HydrophobicContact CD2-CD1 4.43Å; L774-L786 PolarHBondContact O-N 2.77Å; L774-L786 VanDerWaalsContact O-N 3.16Å; L784-L786 HydrophobicContact CD2-CD2 4.2Å; L784-L786 PolarHBondContact O-N 2.74Å; L786-N814 WeakPolarHBondContact O-CB 3.43Å; L786-N814 PolarHBondContact O-N 2.73Å; L786-T817 WeakPolarHBondContact CA-OG1 3.43Å; L786-T817 HydrophobicContact CB-CG2 4.34Å; L786-T817 HydrophobicContact CD2-CG2 4.13Å; L786-T817 PolarHBondContact O-OG1 3.11Å; L786-I820 HydrophobicContact CD2-CD1 4.26Å; L786-F821 HydrophobicContact CD1-CE2 4Å; L786-F821 HydrophobicContact CD2-CE2 4.14Å; L786-M850 HydrophobicContact CD2-CE 4.07Å
787	L	96.6	Very high	93.2	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-120.8	153.3	176	-59.4	-179.7	0	0	0	109.8	V732 I771 L774 A775 N785 T811 A812 L813	V732-L787 HydrophobicContact CG1-CD1 3.96Å; I771-L787 HydrophobicContact CG2-CD1 3.98Å; L774-L787 HydrophobicContact CB-CD1 3.93Å; L774-L787 HydrophobicContact CB-CG 4.17Å; L774-L787 HydrophobicContact CD1-CD1 4.45Å; L774-L787 PolarHBondContact O-N 3.47Å; A775-L787 WeakPolarHBondContact CA-O 3.42Å; A775-L787 HydrophobicContact CB-CB 3.94Å; N785-L787 VanDerWaalsContact C-N 3.3Å; N785-L787 PolarHBondContact ND2-O 2.96Å; L787-T811 WeakPolarHBondContact CB-OG1 3.24Å; L787-A812 CarbonylContact C-O 3.54Å; L787-A812 WeakPolarHBondContact CA-O 3.46Å; L787-L813 HydrophobicContact CD2-CD1 4.29Å
788	Q	94.3	Very high	93	Very high	73 Å²	73	24.9 Å²	24.9	34%	0.341	15%	0.149	S	C	.	.			trans	-85.7	131	179.6	-65.8	-174	-20.3	0	0	111.5	I790 T811 A812 N814	Q788-I790 HydrophobicContact CB-CD1 4.32Å; Q788-I790 HydrophobicContact CB-CG1 3.99Å; Q788-I790 PolarHBondContact O-N 3.45Å; Q788-I790 VanDerWaalsContact O-N 3.07Å; Q788-T811 WeakPolarHBondContact O-CA 3.11Å; Q788-T811 WeakPolarHBondContact O-CB 3.44Å; Q788-T811 PolarHBondContact O-OG1 2.85Å; Q788-A812 PolarHBondContact N-O 3.43Å; Q788-N814 HydrophobicContact CG-CB 4.34Å
789	P	93.8	Very high	93	Very high	34 Å²	34	24.6 Å²	24.6	22%	0.221	15%	0.152	C	C	.	.			trans	-82.5	76.3	177.8	31.4	-32.9	0	0	0	111.8	A775 N777 G791 F793	A775-P789 HydrophobicContact CB-CB 4.38Å; A775-P789 WeakPolarHBondContact O-CB 3.42Å; A775-P789 WeakPolarHBondContact O-CD 3.38Å; A775-P789 WeakPolarHBondContact O-CG 3.32Å; N777-P789 HydrophobicContact CB-CG 4.36Å; P789-G791 VanDerWaalsContact C-N 3.33Å; P789-G791 PolarHBondContact O-N 3.36Å; P789-F793 VanDerWaalsContact CA-CD2 3.4Å; P789-F793 HydrophobicContact CB-CB 3.81Å; P789-F793 HydrophobicContact CB-CD1 4.36Å; P789-F793 HydrophobicContact CB-CD2 3.62Å; P789-F793 HydrophobicContact CB-CE2 4.32Å; P789-F793 HydrophobicContact CB-CG 3.65Å
790	I	93.7	Very high	92.9	Very high	54 Å²	54	24.3 Å²	24.3	28%	0.277	15%	0.152	S	C	.	.	B	Isolated β-bridge	trans	-84.2	78.2	-177.7	-46.1	174.2	0	0	0	109.9	E744 Q788 F810 A812	E744-I790 HydrophobicContact CB-CD1 3.82Å; Q788-I790 HydrophobicContact CB-CD1 4.32Å; Q788-I790 HydrophobicContact CB-CG1 3.99Å; Q788-I790 PolarHBondContact O-N 3.45Å; Q788-I790 VanDerWaalsContact O-N 3.07Å; I790-F810 CarbonylContact C-O 3.58Å; I790-F810 WeakPolarHBondContact CA-O 3.43Å; I790-F810 HydrophobicContact CB-CB 4.02Å; I790-F810 VanDerWaalsContact CB-O 3.31Å; I790-F810 WeakPolarHBondContact CB-O 3.47Å; I790-F810 HydrophobicContact CG2-CB 4.23Å; I790-F810 PolarHBondContact N-O 3.26Å; I790-F810 VanDerWaalsContact N-O 3.1Å; I790-F810 PolarHBondContact O-N 3.22Å; I790-F810 VanDerWaalsContact O-O 3.13Å; I790-A812 HydrophobicContact CD1-CB 4.19Å
791	G	91.9	Very high	93	Very high	52 Å²	52	32 Å²	32	54%	0.536	18%	0.182	S	C	.	.	S	Bend	trans	136.3	-162	-179.6	0	0	0	0	0	112.3	P789 F793	P789-G791 VanDerWaalsContact C-N 3.33Å; P789-G791 PolarHBondContact O-N 3.36Å; G791-F793 PolarHBondContact O-N 2.91Å; G791-F793 VanDerWaalsContact O-N 3.1Å
792	Q	92.5	Very high	92.9	Very high	82 Å²	82	33.6 Å²	33.6	38%	0.383	19%	0.189	S	C	.	.			trans	-81.2	89.1	177.8	-179.2	51.2	-76.5	0	0	111.1	G794 T795 A804	Q792-G794 PolarHBondContact O-N 3.08Å; Q792-T795 VanDerWaalsContact NE2-CG2 3.33Å; Q792-A804 HydrophobicContact CB-CB 4.06Å; Q792-A804 HydrophobicContact CG-CB 4.47Å; Q792-A804 PolarHBondContact O-N 2.84Å
793	F	94.9	Very high	92.8	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.018	20%	0.195	C	C	.	.			trans	-83.7	6	176.3	-84.5	-103.3	0	0	0	114.2	V747 I772 A775 Q776 P789 G791 A803 I809 F810	V747-F793 HydrophobicContact CG2-CE1 3.97Å; V747-F793 HydrophobicContact CG2-CZ 3.71Å; I772-F793 HydrophobicContact CB-CD1 4.3Å; I772-F793 HydrophobicContact CG1-CD1 4.19Å; I772-F793 HydrophobicContact CG1-CE1 4.17Å; I772-F793 HydrophobicContact CG2-CD1 4.16Å; A775-F793 HydrophobicContact CB-CD1 3.54Å; A775-F793 HydrophobicContact CB-CE1 3.49Å; A775-F793 VanDerWaalsContact CB-CE1 3.49Å; A775-F793 HydrophobicContact CB-CG 4.37Å; A775-F793 HydrophobicContact CB-CZ 4.31Å; Q776-F793 HydrophobicContact CG-CB 4.32Å; Q776-F793 WeakPolarHBondContact CG-O 3.15Å; Q776-F793 PolarHBondContact NE2-O 3.45Å; P789-F793 VanDerWaalsContact CA-CD2 3.4Å; P789-F793 HydrophobicContact CB-CB 3.81Å; P789-F793 HydrophobicContact CB-CD1 4.36Å; P789-F793 HydrophobicContact CB-CD2 3.62Å; P789-F793 HydrophobicContact CB-CE2 4.32Å; P789-F793 HydrophobicContact CB-CG 3.65Å; G791-F793 PolarHBondContact O-N 2.91Å; G791-F793 VanDerWaalsContact O-N 3.1Å; F793-A803 WeakPolarHBondContact O-CB 3.47Å; F793-I809 HydrophobicContact CD1-CD1 4.26Å; F793-I809 HydrophobicContact CD2-CB 4.36Å; F793-I809 HydrophobicContact CD2-CD1 4.43Å; F793-I809 HydrophobicContact CE1-CD1 3.96Å; F793-I809 HydrophobicContact CE2-CB 3.73Å; F793-I809 HydrophobicContact CE2-CD1 4.12Å; F793-I809 HydrophobicContact CE2-CG1 4.36Å; F793-I809 HydrophobicContact CE2-CG2 4.34Å; F793-I809 HydrophobicContact CG-CD1 4.49Å; F793-I809 HydrophobicContact CZ-CB 4.08Å; F793-I809 HydrophobicContact CZ-CD1 3.87Å; F793-I809 HydrophobicContact CZ-CG1 4.25Å; F793-F810 WeakPolarHBondContact CE2-O 3.4Å; F793-F810 WeakPolarHBondContact CZ-O 3.32Å
794	G	92.1	Very high	92.8	Very high	6 Å²	6	35.2 Å²	35.2	6%	0.062	21%	0.206	C	C	.	.			trans	96.6	153.4	-178.6	0	0	0	0	0	111.4	F778 Q792 D802	F778-G794 WeakPolarHBondContact CD1-O 3.29Å; Q792-G794 PolarHBondContact O-N 3.08Å; G794-D802 WeakPolarHBondContact CA-OD1 3.48Å
795	T	92.1	Very high	92.7	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.055	22%	0.224	C	C	.	.			trans	-121.9	174.8	-166.1	73.5	0	0	0	0	112.3	Q792 L797 G799 G800 D802 D966	Q792-T795 VanDerWaalsContact NE2-CG2 3.33Å; T795-L797 PolarHBondContact O-N 2.77Å; T795-L797 WeakPolarHBondContact OG1-CB 3.14Å; T795-L797 WeakPolarHBondContact OG1-CG 3.44Å; T795-L797 PolarHBondContact OG1-N 3.32Å; T795-G799 PolarHBondContact O-N 3.45Å; T795-G800 PolarHBondContact O-N 3.37Å; T795-D802 VanDerWaalsContact CB-OD2 3.31Å; T795-D802 WeakPolarHBondContact CB-OD2 3.44Å; T795-D802 WeakPolarHBondContact CG2-OD2 3.33Å; T795-D802 VanDerWaalsContact N-CG 3.33Å; T795-D802 PolarHBondContact N-OD1 3.11Å; T795-D802 PolarHBondContact N-OD2 3.33Å; T795-D802 VanDerWaalsContact N-OD2 3.13Å; T795-D802 PolarHBondContact OG1-OD2 2.76Å; T795-D966 HydrophobicContact CG2-CB 3.89Å
796	R	90.5	Very high	92.6	Very high	10 Å²	10	38.1 Å²	38.1	4%	0.038	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-22.8	173.4	-166.2	174.9	-170.9	167.7	4.3	113.1	S798 E928 L929	R796-S798 VanDerWaalsContact C-N 3.32Å; R796-S798 PolarHBondContact O-N 2.85Å; R796-E928 IonicContact CZ-OE1 3.45Å; R796-E928 IonicContact CZ-OE2 2.98Å; R796-E928 VanDerWaalsContact CZ-OE2 3.3Å; R796-E928 IonicContact NE-OE1 3.81Å; R796-E928 VanDerWaalsContact NH1-CD 3.27Å; R796-E928 IonicContact NH1-OE1 3.94Å; R796-E928 PolarHBondContact NH1-OE1 2.92Å; R796-E928 IonicContact NH1-OE2 3.77Å; R796-E928 PolarHBondContact NH1-OE2 3.04Å; R796-E928 IonicContact NH2-OE1 2.78Å; R796-E928 PolarHBondContact NH2-OE1 3.04Å; R796-E928 IonicContact NH2-OE2 2.74Å; R796-E928 PolarHBondContact NH2-OE2 2.92Å; R796-L929 PolarHBondContact NH2-O 2.93Å
797	L	90.6	Very high	92.5	Very high	46 Å²	46	46.5 Å²	46.5	24%	0.241	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-40.1	-176.2	-61.2	174.3	0	0	0	112.8	T795 T935 Q936 T965	T795-L797 PolarHBondContact O-N 2.77Å; T795-L797 WeakPolarHBondContact OG1-CB 3.14Å; T795-L797 WeakPolarHBondContact OG1-CG 3.44Å; T795-L797 PolarHBondContact OG1-N 3.32Å; L797-T935 HydrophobicContact CD2-CG2 4.06Å; L797-T935 PolarHBondContact O-N 2.88Å; L797-Q936 WeakPolarHBondContact O-CB 3.47Å; L797-Q936 PolarHBondContact O-N 3.32Å; L797-T965 WeakPolarHBondContact CD2-O 3.46Å
798	S	90.6	Very high	92.3	Very high	36 Å²	36	54.6 Å²	54.6	25%	0.252	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	10.5	-175.6	-59.6	0	0	0	0	113.8	R796 K801	R796-S798 VanDerWaalsContact C-N 3.32Å; R796-S798 PolarHBondContact O-N 2.85Å; S798-K801 PolarHBondContact O-N 3.06Å
799	G	90.1	Very high	92.3	Very high	18 Å²	18	51.2 Å²	51.2	19%	0.186	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	44	-176.8	0	0	0	0	0	112.7	F778 T795 K801 W934	F778-G799 VanDerWaalsContact CZ-C 3.43Å; T795-G799 PolarHBondContact O-N 3.45Å; G799-K801 PolarHBondContact O-N 3.35Å; G799-W934 VanDerWaalsContact CA-CE2 3.49Å
800	G	90.7	Very high	92.5	Very high	7 Å²	7	52.5 Å²	52.5	7%	0.072	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-7.8	178.8	0	0	0	0	0	116.1	Q776 T795 D802 A803	Q776-G800 PolarHBondContact NE2-O 3.45Å; T795-G800 PolarHBondContact O-N 3.37Å; G800-D802 PolarHBondContact O-N 3Å; G800-A803 WeakPolarHBondContact O-CB 3.36Å; G800-A803 PolarHBondContact O-N 3.15Å
801	K	90.8	Very high	92.6	Very high	173 Å²	173	49.9 Å²	49.9	75%	0.752	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.1	178.6	-66.8	-175	177.4	-174.1	0	114	S798 G799 A803	S798-K801 PolarHBondContact O-N 3.06Å; G799-K801 PolarHBondContact O-N 3.35Å; K801-A803 VanDerWaalsContact C-N 3.32Å
802	D	92	Very high	92.7	Very high	51 Å²	51	47.5 Å²	47.5	27%	0.273	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	10.3	178	59.4	-41.7	0	0	0	113.6	G794 T795 G800 A804	G794-D802 WeakPolarHBondContact CA-OD1 3.48Å; T795-D802 VanDerWaalsContact CB-OD2 3.31Å; T795-D802 WeakPolarHBondContact CB-OD2 3.44Å; T795-D802 WeakPolarHBondContact CG2-OD2 3.33Å; T795-D802 VanDerWaalsContact N-CG 3.33Å; T795-D802 PolarHBondContact N-OD1 3.11Å; T795-D802 PolarHBondContact N-OD2 3.33Å; T795-D802 VanDerWaalsContact N-OD2 3.13Å; T795-D802 PolarHBondContact OG1-OD2 2.76Å; G800-D802 PolarHBondContact O-N 3Å; D802-A804 PolarHBondContact O-N 3.31Å
803	A	93.3	Very high	92.8	Very high	29 Å²	29	44.6 Å²	44.6	24%	0.24	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-54.2	136.6	171.2	0	0	0	0	0	112.1	I772 F793 G800 K801	I772-A803 HydrophobicContact CD1-CB 4.44Å; I772-A803 HydrophobicContact CG2-CB 4.09Å; F793-A803 WeakPolarHBondContact O-CB 3.47Å; G800-A803 WeakPolarHBondContact O-CB 3.36Å; G800-A803 PolarHBondContact O-N 3.15Å; K801-A803 VanDerWaalsContact C-N 3.32Å
804	A	93.5	Very high	92.8	Very high	33 Å²	33	45 Å²	45	27%	0.273	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-70.3	156.1	175.8	0	0	0	0	0	111.5	Q792 D802 I809	Q792-A804 HydrophobicContact CB-CB 4.06Å; Q792-A804 HydrophobicContact CG-CB 4.47Å; Q792-A804 PolarHBondContact O-N 2.84Å; D802-A804 PolarHBondContact O-N 3.31Å; A804-I809 HydrophobicContact CB-CG2 3.81Å; A804-I809 WeakPolarHBondContact O-CD1 3.47Å
805	S	93	Very high	92.7	Very high	55 Å²	55	47.7 Å²	47.7	39%	0.385	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-55.7	137.7	-176.8	-176.9	0	0	0	0	112.1	R807 Y808	S805-R807 PolarHBondContact O-N 2.72Å; S805-Y808 PolarHBondContact O-N 2.7Å
806	P	92.9	Very high	92.7	Very high	22 Å²	22	47.4 Å²	47.4	14%	0.143	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-13.9	177.9	-33.5	36.8	0	0	0	117.4	V747 A748 M768 I772	V747-P806 HydrophobicContact CB-CB 4.08Å; V747-P806 HydrophobicContact CG1-CB 3.94Å; V747-P806 HydrophobicContact CG1-CG 4.4Å; A748-P806 HydrophobicContact CB-CB 4.07Å; A748-P806 WeakPolarHBondContact CB-O 3.16Å; A748-P806 PolarHBondContact N-O 3.46Å; M768-P806 HydrophobicContact CB-CB 4.2Å; M768-P806 HydrophobicContact CB-CG 3.73Å; M768-P806 HydrophobicContact CG-CB 4.04Å; M768-P806 HydrophobicContact CG-CG 4.07Å; M768-P806 HydrophobicContact SD-CB 3.64Å; M768-P806 HydrophobicContact SD-CG 3.74Å; I772-P806 HydrophobicContact CD1-CG 4.21Å
807	R	93.2	Very high	92.9	Very high	180 Å²	180	46.9 Å²	46.9	68%	0.679	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-15.3	176.3	-57.6	-178.7	-177.5	-177.2	0.1	113.8	K746 A748 S805	K746-R807 PolarHBondContact NZ-O 2.73Å; A748-R807 HydrophobicContact CB-CG 4.45Å; S805-R807 PolarHBondContact O-N 2.72Å
808	Y	91.8	Very high	93	Very high	172 Å²	172	47.9 Å²	47.9	68%	0.675	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.7	-24.6	-174.2	-54.9	-54.1	0	0	0	114.3	S805 F810	S805-Y808 PolarHBondContact O-N 2.7Å; Y808-F810 WeakPolarHBondContact O-CD2 3.44Å
809	I	95.2	Very high	93.2	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.015	24%	0.243	C	C	.	.			trans	-95.9	145.9	-179.1	53.9	171.1	0	0	0	111.9	K746 V747 I772 F793 A804	K746-I809 WeakPolarHBondContact CA-O 3.44Å; V747-I809 HydrophobicContact CB-CD1 4.42Å; V747-I809 HydrophobicContact CB-CG1 4.19Å; V747-I809 HydrophobicContact CG2-CD1 3.92Å; V747-I809 HydrophobicContact CG2-CG1 3.81Å; V747-I809 PolarHBondContact N-O 3.35Å; I772-I809 HydrophobicContact CD1-CD1 3.9Å; I772-I809 HydrophobicContact CG1-CD1 3.78Å; F793-I809 HydrophobicContact CD1-CD1 4.26Å; F793-I809 HydrophobicContact CD2-CB 4.36Å; F793-I809 HydrophobicContact CD2-CD1 4.43Å; F793-I809 HydrophobicContact CE1-CD1 3.96Å; F793-I809 HydrophobicContact CE2-CB 3.73Å; F793-I809 HydrophobicContact CE2-CD1 4.12Å; F793-I809 HydrophobicContact CE2-CG1 4.36Å; F793-I809 HydrophobicContact CE2-CG2 4.34Å; F793-I809 HydrophobicContact CG-CD1 4.49Å; F793-I809 HydrophobicContact CZ-CB 4.08Å; F793-I809 HydrophobicContact CZ-CD1 3.87Å; F793-I809 HydrophobicContact CZ-CG1 4.25Å; A804-I809 HydrophobicContact CB-CG2 3.81Å; A804-I809 WeakPolarHBondContact O-CD1 3.47Å
810	F	96.4	Very high	93.5	Very high	60 Å²	60	47.6 Å²	47.6	26%	0.263	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	159.1	-175.4	-67.6	-108.5	0	0	0	110.7	E744 I745 K746 I790 F793 Y808	E744-F810 HydrophobicContact CB-CB 4.28Å; E744-F810 HydrophobicContact CB-CD1 4.39Å; E744-F810 HydrophobicContact CG-CD1 4.14Å; I745-F810 CarbonylContact O-C 3.58Å; I745-F810 WeakPolarHBondContact O-CA 3.39Å; K746-F810 HydrophobicContact CD-CE1 4.37Å; K746-F810 HydrophobicContact CD-CZ 4.18Å; K746-F810 HydrophobicContact CG-CD1 3.82Å; K746-F810 HydrophobicContact CG-CD2 4.4Å; K746-F810 HydrophobicContact CG-CE1 3.48Å; K746-F810 VanDerWaalsContact CG-CE1 3.48Å; K746-F810 HydrophobicContact CG-CE2 4.1Å; K746-F810 HydrophobicContact CG-CG 4.28Å; K746-F810 HydrophobicContact CG-CZ 3.65Å; I790-F810 CarbonylContact C-O 3.58Å; I790-F810 WeakPolarHBondContact CA-O 3.43Å; I790-F810 HydrophobicContact CB-CB 4.02Å; I790-F810 VanDerWaalsContact CB-O 3.31Å; I790-F810 WeakPolarHBondContact CB-O 3.47Å; I790-F810 HydrophobicContact CG2-CB 4.23Å; I790-F810 PolarHBondContact N-O 3.26Å; I790-F810 VanDerWaalsContact N-O 3.1Å; I790-F810 PolarHBondContact O-N 3.22Å; I790-F810 VanDerWaalsContact O-O 3.13Å; F793-F810 WeakPolarHBondContact CE2-O 3.4Å; F793-F810 WeakPolarHBondContact CZ-O 3.32Å; Y808-F810 WeakPolarHBondContact O-CD2 3.44Å
811	T	95.9	Very high	93.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	160.7	176.5	-163	0	0	0	0	111.4	E744 I745 V747 L750 I771 L787 Q788	E744-T811 WeakPolarHBondContact CA-O 3.4Å; I745-T811 HydrophobicContact CG2-CG2 4.42Å; I745-T811 PolarHBondContact N-O 2.97Å; I745-T811 PolarHBondContact O-N 3.26Å; V747-T811 HydrophobicContact CG2-CG2 4.3Å; L750-T811 HydrophobicContact CD2-CG2 3.66Å; I771-T811 HydrophobicContact CG2-CG2 4.02Å; L787-T811 WeakPolarHBondContact CB-OG1 3.24Å; Q788-T811 WeakPolarHBondContact O-CA 3.11Å; Q788-T811 WeakPolarHBondContact O-CB 3.44Å; Q788-T811 PolarHBondContact O-OG1 2.85Å
812	A	95.4	Very high	93.8	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.017	20%	0.203	C	C	.	.			trans	-144.2	167.7	174.1	0	0	0	0	0	108.6	L787 Q788 I790	L787-A812 CarbonylContact C-O 3.54Å; L787-A812 WeakPolarHBondContact CA-O 3.46Å; Q788-A812 PolarHBondContact N-O 3.43Å; I790-A812 HydrophobicContact CD1-CB 4.19Å
813	L	94.4	Very high	93.8	Very high	21 Å²	21	43 Å²	43	11%	0.11	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-65.8	136.4	172.3	-167.1	68.9	0	0	0	109.9	L733 C736 L737 L741 L787 T817	L733-L813 HydrophobicContact CD1-CD1 4.25Å; C736-L813 HydrophobicContact CB-CD1 4.1Å; L737-L813 HydrophobicContact CD2-CD2 3.92Å; L741-L813 WeakPolarHBondContact O-CB 3.34Å; L741-L813 PolarHBondContact O-N 3.07Å; L787-L813 HydrophobicContact CD2-CD1 4.29Å; L813-T817 HydrophobicContact CD1-CG2 3.65Å; L813-T817 HydrophobicContact CG-CG2 4.3Å
814	N	93.3	Very high	93.6	Very high	13 Å²	13	44.2 Å²	44.2	7%	0.07	22%	0.215	C	C	.	.			trans	-73.2	142.2	172.9	-168.3	-1.2	0	0	0	110	N785 L786 Q788 L816 T817	N785-N814 WeakPolarHBondContact O-CB 3.4Å; N785-N814 PolarHBondContact O-ND2 3.23Å; L786-N814 WeakPolarHBondContact O-CB 3.43Å; L786-N814 PolarHBondContact O-N 2.73Å; Q788-N814 HydrophobicContact CG-CB 4.34Å; N814-L816 VanDerWaalsContact C-N 3.26Å; N814-L816 PolarHBondContact O-N 3.14Å; N814-T817 VanDerWaalsContact O-CB 3.23Å; N814-T817 WeakPolarHBondContact O-CB 3.36Å; N814-T817 PolarHBondContact O-N 3.46Å; N814-T817 PolarHBondContact O-OG1 3.1Å
815	S	90.5	Very high	93.5	Very high	61 Å²	61	42.8 Å²	42.8	43%	0.427	20%	0.202	S	C	.	.	H	α-helix	trans	-57.2	-41.3	-177.9	52.8	0	0	0	0	111.9	T817 R818	S815-T817 PolarHBondContact O-N 3.32Å; S815-T817 VanDerWaalsContact O-N 3.17Å; S815-R818 PolarHBondContact O-N 2.89Å
816	L	93.4	Very high	93.3	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-58	-27.4	176.1	-60.5	173	0	0	0	113.1	L784 N814 R818 L819 I820 L1177 E1180 Y1181 V1184	L784-L816 HydrophobicContact CD1-CD1 4.18Å; L784-L816 HydrophobicContact CD2-CB 4.21Å; L784-L816 HydrophobicContact CD2-CD1 4.28Å; L784-L816 HydrophobicContact CG-CD1 4.1Å; N814-L816 VanDerWaalsContact C-N 3.26Å; N814-L816 PolarHBondContact O-N 3.14Å; L816-R818 VanDerWaalsContact C-N 3.32Å; L816-R818 PolarHBondContact O-N 2.93Å; L816-L819 PolarHBondContact O-N 2.95Å; L816-I820 HydrophobicContact CB-CD1 4.41Å; L816-I820 VanDerWaalsContact O-CG1 3.31Å; L816-I820 WeakPolarHBondContact O-CG1 3.3Å; L816-I820 PolarHBondContact O-N 3.24Å; L816-L1177 HydrophobicContact CD2-CD1 4.24Å; L816-E1180 HydrophobicContact CD2-CB 4.21Å; L816-E1180 HydrophobicContact CD2-CG 3.81Å; L816-Y1181 HydrophobicContact CD1-CD2 4.01Å; L816-V1184 HydrophobicContact CD1-CB 4.47Å; L816-V1184 HydrophobicContact CD1-CG1 4.33Å; L816-V1184 HydrophobicContact CD2-CG2 4.34Å; L816-V1184 HydrophobicContact CG-CG2 4.39Å
817	T	94.6	Very high	93	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-32.8	-173.6	-55.9	0	0	0	0	113	L733 L786 L813 N814 S815 I820 F821	L733-T817 HydrophobicContact CD1-CG2 3.72Å; L786-T817 WeakPolarHBondContact CA-OG1 3.43Å; L786-T817 HydrophobicContact CB-CG2 4.34Å; L786-T817 HydrophobicContact CD2-CG2 4.13Å; L786-T817 PolarHBondContact O-OG1 3.11Å; L813-T817 HydrophobicContact CD1-CG2 3.65Å; L813-T817 HydrophobicContact CG-CG2 4.3Å; N814-T817 VanDerWaalsContact O-CB 3.23Å; N814-T817 WeakPolarHBondContact O-CB 3.36Å; N814-T817 PolarHBondContact O-N 3.46Å; N814-T817 PolarHBondContact O-OG1 3.1Å; S815-T817 PolarHBondContact O-N 3.32Å; S815-T817 VanDerWaalsContact O-N 3.17Å; T817-I820 PolarHBondContact O-N 3.31Å; T817-F821 HydrophobicContact CG2-CD2 3.88Å; T817-F821 HydrophobicContact CG2-CE2 4.3Å; T817-F821 WeakPolarHBondContact O-CD2 3.17Å; T817-F821 PolarHBondContact O-N 2.78Å
818	R	92.8	Very high	92.7	Very high	67 Å²	67	35.2 Å²	35.2	25%	0.253	17%	0.173	S	C	.	.	H	α-helix	trans	-86.8	-11.7	178.2	-163.6	42.1	148.6	-176.7	-9.6	113.9	S815 L816 F821 L823 D826	S815-R818 PolarHBondContact O-N 2.89Å; L816-R818 VanDerWaalsContact C-N 3.32Å; L816-R818 PolarHBondContact O-N 2.93Å; R818-F821 WeakPolarHBondContact CD-O 3.28Å; R818-F821 PolarHBondContact NH1-O 3.34Å; R818-L823 VanDerWaalsContact NH2-CD1 3.26Å; R818-D826 IonicContact CZ-OD1 2.71Å; R818-D826 IonicContact CZ-OD2 2.71Å; R818-D826 IonicContact NH1-OD1 3.9Å; R818-D826 PolarHBondContact NH1-OD1 3.42Å; R818-D826 IonicContact NH1-OD2 3.34Å; R818-D826 VanDerWaalsContact NH2-CG 3.32Å; R818-D826 IonicContact NH2-OD1 2.75Å; R818-D826 PolarHBondContact NH2-OD1 2.8Å; R818-D826 IonicContact NH2-OD2 3.71Å; R818-D826 PolarHBondContact NH2-OD2 3.46Å
819	L	94.2	Very high	92.6	Very high	48 Å²	48	27.1 Å²	27.1	25%	0.251	14%	0.141	S	C	.	.	H	α-helix	trans	-78.8	-39.6	162.4	-59.6	178.7	0	0	0	110.7	L816 I847 L1177 E1180	L816-L819 PolarHBondContact O-N 2.95Å; L819-I847 VanDerWaalsContact O-CD1 3.24Å; L819-I847 WeakPolarHBondContact O-CD1 3.15Å; L819-L1177 HydrophobicContact CB-CD1 3.97Å; L819-L1177 HydrophobicContact CD1-CD1 4.49Å; L819-E1180 HydrophobicContact CD1-CB 3.7Å; L819-E1180 HydrophobicContact CD1-CG 3.87Å
820	I	95.7	Very high	92.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.7	-52.3	176.5	-67.7	161.5	0	0	0	111	L784 L786 L816 T817 P846 I847 M850 L1177	L784-I820 HydrophobicContact CD1-CD1 3.71Å; L784-I820 HydrophobicContact CD2-CD1 3.51Å; L784-I820 HydrophobicContact CG-CD1 4.27Å; L786-I820 HydrophobicContact CD2-CD1 4.26Å; L816-I820 HydrophobicContact CB-CD1 4.41Å; L816-I820 VanDerWaalsContact O-CG1 3.31Å; L816-I820 WeakPolarHBondContact O-CG1 3.3Å; L816-I820 PolarHBondContact O-N 3.24Å; T817-I820 PolarHBondContact O-N 3.31Å; I820-P846 HydrophobicContact CG2-CB 3.68Å; I820-P846 CarbonylContact O-C 3.53Å; I820-P846 WeakPolarHBondContact O-CA 3.35Å; I820-I847 PolarHBondContact O-N 2.71Å; I820-M850 HydrophobicContact CD1-SD 4.03Å; I820-M850 HydrophobicContact CG2-CG 3.81Å; I820-M850 HydrophobicContact CG2-SD 3.87Å; I820-L1177 HydrophobicContact CG1-CD1 3.94Å; I820-L1177 HydrophobicContact CG1-CD2 4.17Å
821	F	94.7	Very high	91.8	Very high	3 Å²	3	27 Å²	27	1%	0.013	14%	0.141	C	C	.	.	S	Bend	trans	-105.7	84	179.7	-58	-71.5	0	0	0	109.4	D723 L725 L733 L786 T817 R818 Y844 P846 M850	D723-F821 HydrophobicContact CB-CE1 4.18Å; L725-F821 HydrophobicContact CD1-CZ 4.38Å; L733-F821 HydrophobicContact CD1-CD2 4.48Å; L733-F821 HydrophobicContact CD2-CD2 3.8Å; L733-F821 HydrophobicContact CD2-CE1 4.42Å; L733-F821 HydrophobicContact CD2-CE2 3.57Å; L733-F821 HydrophobicContact CD2-CG 4.34Å; L733-F821 HydrophobicContact CD2-CZ 3.9Å; L786-F821 HydrophobicContact CD1-CE2 4Å; L786-F821 HydrophobicContact CD2-CE2 4.14Å; T817-F821 HydrophobicContact CG2-CD2 3.88Å; T817-F821 HydrophobicContact CG2-CE2 4.3Å; T817-F821 WeakPolarHBondContact O-CD2 3.17Å; T817-F821 PolarHBondContact O-N 2.78Å; R818-F821 WeakPolarHBondContact CD-O 3.28Å; R818-F821 PolarHBondContact NH1-O 3.34Å; F821-Y844 HydrophobicContact CD1-CD1 4.35Å; F821-Y844 HydrophobicContact CD1-CG 4.11Å; F821-Y844 HydrophobicContact CE1-CG 4.37Å; F821-P846 HydrophobicContact CD1-CB 3.87Å; F821-P846 HydrophobicContact CE1-CB 3.61Å; F821-P846 HydrophobicContact CE1-CG 4.08Å; F821-P846 HydrophobicContact CZ-CB 4.32Å; F821-M850 HydrophobicContact CZ-CG 4.42Å
822	H	93.7	Very high	91.3	Very high	36 Å²	36	29.7 Å²	29.7	17%	0.167	16%	0.155	C	C	.	.			trans	-62.6	141.6	-167.5	-165.5	-92.6	0	0	0	113.1	E824 D825 D1173	H822-E824 VanDerWaalsContact C-N 3.31Å; H822-E824 PolarHBondContact ND1-N 3.27Å; H822-E824 PolarHBondContact O-N 2.95Å; H822-D825 WeakPolarHBondContact CB-OD2 3.46Å; H822-D825 PolarHBondContact O-N 3.35Å; H822-D825 VanDerWaalsContact O-N 3.11Å; H822-D1173 IonicContact CD2-OD2 2.7Å; H822-D1173 IonicContact NE2-OD1 2.71Å; H822-D1173 IonicContact NE2-OD2 2.71Å
823	L	91.1	Very high	90.5	Very high	94 Å²	94	34 Å²	34	49%	0.492	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-54.3	-45	-177.3	176.4	62.1	0	0	0	112.9	R818 D825 D826	R818-L823 VanDerWaalsContact NH2-CD1 3.26Å; L823-D825 PolarHBondContact O-N 3.43Å; L823-D826 WeakPolarHBondContact O-CB 3.39Å; L823-D826 PolarHBondContact O-N 3.3Å; L823-D826 VanDerWaalsContact O-N 3.08Å
824	E	89.8	Confident	89.5	Confident	56 Å²	56	34.9 Å²	34.9	26%	0.262	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-73.1	-4.3	-177	-53.4	-49	128.1	0	0	114.7	H822 R1036 L1040	H822-E824 VanDerWaalsContact C-N 3.31Å; H822-E824 PolarHBondContact ND1-N 3.27Å; H822-E824 PolarHBondContact O-N 2.95Å; E824-R1036 HydrophobicContact CB-CG 4.11Å; E824-L1040 HydrophobicContact CB-CD1 4.36Å; E824-L1040 HydrophobicContact CB-CD2 4.15Å; E824-L1040 HydrophobicContact CG-CD2 3.95Å
825	D	91.1	Very high	88.5	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.016	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-84.2	-27.2	167.6	-61.6	-51.6	0	0	0	111.8	H822 L823 P827 L828 R1029 R1036	H822-D825 WeakPolarHBondContact CB-OD2 3.46Å; H822-D825 PolarHBondContact O-N 3.35Å; H822-D825 VanDerWaalsContact O-N 3.11Å; L823-D825 PolarHBondContact O-N 3.43Å; D825-P827 VanDerWaalsContact C-N 3.33Å; D825-P827 VanDerWaalsContact O-N 3.16Å; D825-L828 WeakPolarHBondContact O-CB 3.31Å; D825-L828 PolarHBondContact O-N 2.65Å; D825-R1029 IonicContact OD1-CZ 2.65Å; D825-R1029 IonicContact OD1-NH1 2.76Å; D825-R1029 PolarHBondContact OD1-NH1 3Å; D825-R1029 IonicContact OD1-NH2 2.8Å; D825-R1029 IonicContact OD2-CZ 3.83Å; D825-R1029 IonicContact OD2-NH1 2.92Å; D825-R1029 PolarHBondContact OD2-NH1 3.23Å; D825-R1029 IonicContact OD2-NH2 2.7Å; D825-R1029 PolarHBondContact OD2-NH2 2.89Å; D825-R1036 IonicContact OD1-CZ 3.89Å; D825-R1036 IonicContact OD1-NE 3.15Å; D825-R1036 PolarHBondContact OD1-NE 3.36Å; D825-R1036 IonicContact OD1-NH2 3.39Å; D825-R1036 PolarHBondContact OD1-NH2 3.06Å; D825-R1036 IonicContact OD2-CZ 2.93Å; D825-R1036 IonicContact OD2-NE 3.59Å; D825-R1036 IonicContact OD2-NH2 3Å; D825-R1036 PolarHBondContact OD2-NH2 3Å
826	D	89.9	Confident	87.6	Confident	32 Å²	32	38 Å²	38	17%	0.171	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-50.6	-39.1	-175.1	-79.2	24.1	0	0	0	114.7	R818 L823 L828 Y831	R818-D826 IonicContact CZ-OD1 2.71Å; R818-D826 IonicContact CZ-OD2 2.71Å; R818-D826 IonicContact NH1-OD1 3.9Å; R818-D826 PolarHBondContact NH1-OD1 3.42Å; R818-D826 IonicContact NH1-OD2 3.34Å; R818-D826 VanDerWaalsContact NH2-CG 3.32Å; R818-D826 IonicContact NH2-OD1 2.75Å; R818-D826 PolarHBondContact NH2-OD1 2.8Å; R818-D826 IonicContact NH2-OD2 3.71Å; R818-D826 PolarHBondContact NH2-OD2 3.46Å; L823-D826 WeakPolarHBondContact O-CB 3.39Å; L823-D826 PolarHBondContact O-N 3.3Å; L823-D826 VanDerWaalsContact O-N 3.08Å; D826-L828 PolarHBondContact O-N 3.41Å; D826-Y831 VanDerWaalsContact O-CE2 3.24Å; D826-Y831 WeakPolarHBondContact O-CE2 3.36Å; D826-Y831 PolarHBondContact O-OH 2.87Å
827	P	86	Confident	86.7	Confident	51 Å²	51	42.2 Å²	42.2	33%	0.331	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-72.5	-10	179.1	-19.1	34.5	0	0	0	114.8	D825 Y1039	D825-P827 VanDerWaalsContact C-N 3.33Å; D825-P827 VanDerWaalsContact O-N 3.16Å; P827-Y1039 HydrophobicContact CB-CE1 4.18Å; P827-Y1039 HydrophobicContact CB-CE2 3.94Å; P827-Y1039 HydrophobicContact CG-CE1 3.93Å; P827-Y1039 WeakPolarHBondContact CG-OH 3.48Å
828	L	87.8	Confident	86.2	Confident	15 Å²	15	46.8 Å²	46.8	8%	0.079	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-105.8	-7.3	-175.6	-60.4	174.9	0	0	0	113.1	D825 D826 W1032 K1035 R1036 Y1039 I1428	D825-L828 WeakPolarHBondContact O-CB 3.31Å; D825-L828 PolarHBondContact O-N 2.65Å; D826-L828 PolarHBondContact O-N 3.41Å; L828-W1032 HydrophobicContact CB-CH2 4.35Å; L828-W1032 HydrophobicContact CB-CZ3 3.76Å; L828-W1032 VanDerWaalsContact O-CH2 3.24Å; L828-W1032 WeakPolarHBondContact O-CH2 3.45Å; L828-K1035 HydrophobicContact CD1-CB 4.24Å; L828-R1036 HydrophobicContact CD1-CB 4.22Å; L828-Y1039 HydrophobicContact CD1-CG 4.49Å; L828-Y1039 HydrophobicContact CD2-CD2 4.13Å; L828-Y1039 HydrophobicContact CD2-CG 4.12Å; L828-Y1039 HydrophobicContact CG-CG 4.44Å; L828-I1428 HydrophobicContact CD2-CD1 4.21Å
829	L	89.4	Confident	86	Confident	2 Å²	2	44 Å²	44	1%	0.01	22%	0.215	C	C	.	.	S	Bend	trans	-75	133.2	-178.7	-56.8	174.3	0	0	0	111.5	Y831 P841 Y844 A845 W1032	L829-Y831 HydrophobicContact CB-CE2 4.1Å; L829-Y831 WeakPolarHBondContact O-CD2 3.22Å; L829-Y831 PolarHBondContact O-N 2.92Å; L829-P841 HydrophobicContact CB-CB 3.74Å; L829-P841 HydrophobicContact CB-CG 4.34Å; L829-P841 HydrophobicContact CD1-CB 4.36Å; L829-P841 HydrophobicContact CD1-CG 4.03Å; L829-Y844 HydrophobicContact CD1-CD1 3.48Å; L829-Y844 VanDerWaalsContact CD1-CD1 3.48Å; L829-Y844 HydrophobicContact CD1-CE1 3.59Å; L829-Y844 HydrophobicContact CD1-CG 4.36Å; L829-A845 HydrophobicContact CD2-CB 4.43Å; L829-W1032 HydrophobicContact CD2-CH2 3.85Å; L829-W1032 HydrophobicContact CD2-CZ3 3.68Å
830	N	86.4	Confident	85.9	Confident	30 Å²	30	42 Å²	42	16%	0.16	21%	0.205	C	C	.	.			trans	-67.7	95.7	172.3	-179.5	32.2	0	0	0	110.1	P841 E842 N1423	N830-P841 CarbonylContact O-C 3.49Å; N830-P841 WeakPolarHBondContact O-CA 3.48Å; N830-E842 PolarHBondContact ND2-OE2 2.8Å; N830-E842 PolarHBondContact O-N 2.67Å; N830-N1423 PolarHBondContact ND2-OD1 3.1Å; N830-N1423 WeakPolarHBondContact OD1-CA 3.49Å; N830-N1423 PolarHBondContact OD1-N 2.83Å
831	Y	88	Confident	85.7	Confident	31 Å²	31	42 Å²	42	12%	0.122	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.4	178.7	-73	-80.6	0	0	0	112.3	F734 D826 L829 R838 I839 P841	F734-Y831 HydrophobicContact CD2-CE1 4.29Å; F734-Y831 HydrophobicContact CE2-CD1 4.24Å; F734-Y831 AromaticContact CE2-CE1 3.93Å; F734-Y831 HydrophobicContact CE2-CE1 3.93Å; D826-Y831 VanDerWaalsContact O-CE2 3.24Å; D826-Y831 WeakPolarHBondContact O-CE2 3.36Å; D826-Y831 PolarHBondContact O-OH 2.87Å; L829-Y831 HydrophobicContact CB-CE2 4.1Å; L829-Y831 WeakPolarHBondContact O-CD2 3.22Å; L829-Y831 PolarHBondContact O-N 2.92Å; Y831-R838 HydrophobicContact CD1-CG 4.3Å; Y831-R838 HydrophobicContact CG-CG 4.05Å; Y831-I839 WeakPolarHBondContact CD1-O 3.32Å; Y831-P841 HydrophobicContact CD1-CB 4.22Å; Y831-P841 HydrophobicContact CE1-CB 4.34Å; Y831-P841 HydrophobicContact CE1-CG 4.37Å
832	L	85	Confident	85.4	Confident	56 Å²	56	44.5 Å²	44.5	29%	0.293	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	157.9	174.2	-56.1	178.7	0	0	0	110.7	I839 E840 E842	L832-I839 HydrophobicContact CB-CD1 3.93Å; L832-I839 HydrophobicContact CB-CG1 3.85Å; L832-I839 WeakPolarHBondContact O-CG1 3.49Å; L832-I839 PolarHBondContact O-N 2.73Å; L832-E840 WeakPolarHBondContact CB-O 3.16Å; L832-E840 PolarHBondContact N-O 3.08Å; L832-E842 HydrophobicContact CD2-CB 4.31Å
833	Y	78.6	Confident	85.4	Confident	92 Å²	92	44.3 Å²	44.3	36%	0.361	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.7	174.7	-74.6	-100.8	0	0	0	110.3	Q837 R838 H1419 Q1421	Y833-Q837 VanDerWaalsContact CA-O 3.3Å; Y833-Q837 WeakPolarHBondContact CA-O 3.46Å; Y833-R838 HydrophobicContact CD1-CB 4.26Å; Y833-R838 HydrophobicContact CE1-CB 3.71Å; Y833-R838 HydrophobicContact CE1-CG 4.13Å; Y833-R838 HydrophobicContact CE2-CG 4.1Å; Y833-H1419 PolarHBondContact OH-O 2.79Å; Y833-Q1421 WeakPolarHBondContact CE2-O 3.37Å
834	D	74.6	Confident	85.5	Confident	40 Å²	40	40 Å²	40	21%	0.214	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145	171.2	-171.2	27.6	0	0	0	110.3	K617 A759 H761 N836 Q837 I839	K617-D834 IonicContact NZ-OD1 2.68Å; K617-D834 PolarHBondContact NZ-OD1 3.24Å; K617-D834 IonicContact NZ-OD2 3.4Å; K617-D834 PolarHBondContact NZ-OD2 3.45Å; A759-D834 HydrophobicContact CB-CB 4.29Å; H761-D834 IonicContact CD2-OD2 2.84Å; H761-D834 PolarHBondContact CD2-OD2 2.91Å; H761-D834 IonicContact CE1-OD2 3.47Å; H761-D834 IonicContact NE2-OD2 2.65Å; H761-D834 PolarHBondContact NE2-OD2 3.26Å; D834-N836 PolarHBondContact O-N 3.2Å; D834-N836 VanDerWaalsContact O-N 3.11Å; D834-Q837 PolarHBondContact N-O 3.02Å; D834-Q837 VanDerWaalsContact N-O 3.08Å; D834-Q837 PolarHBondContact O-N 3.27Å; D834-I839 HydrophobicContact CB-CD1 3.75Å; D834-I839 HydrophobicContact CB-CG1 4.47Å; D834-I839 HydrophobicContact CB-CG2 4.4Å
835	D	71.4	Confident	85.7	Confident	55 Å²	55	37.6 Å²	37.6	29%	0.294	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	33.8	-169.1	-70.7	4.5	0	0	0	114	Y615 K617 H761 Q837	Y615-D835 WeakPolarHBondContact CB-OD1 3.47Å; Y615-D835 HydrophobicContact CD2-CB 4.16Å; Y615-D835 WeakPolarHBondContact CD2-OD1 3.36Å; Y615-D835 VanDerWaalsContact CG-OD1 3.27Å; K617-D835 IonicContact NZ-OD1 3.86Å; K617-D835 PolarHBondContact NZ-OD1 3.13Å; H761-D835 IonicContact CE1-OD2 3.37Å; H761-D835 PolarHBondContact CE1-OD2 2.94Å; D835-Q837 VanDerWaalsContact C-N 3.27Å; D835-Q837 PolarHBondContact O-N 2.67Å
836	N	70.9	Confident	86	Confident	83 Å²	83	37.4 Å²	37.4	44%	0.444	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	23.2	-171.1	-66.7	-7.5	0	0	0	115.5	V613 Y615 D834	V613-N836 WeakPolarHBondContact CG2-ND2 3.39Å; Y615-N836 PolarHBondContact OH-OD1 3.37Å; D834-N836 PolarHBondContact O-N 3.2Å; D834-N836 VanDerWaalsContact O-N 3.11Å
837	Q	75.5	Confident	86.3	Confident	92 Å²	92	36 Å²	36	43%	0.43	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	143.1	174.6	-55.3	-173.1	36.4	0	0	110.9	Y833 D834 D835 I839	Y833-Q837 VanDerWaalsContact CA-O 3.3Å; Y833-Q837 WeakPolarHBondContact CA-O 3.46Å; D834-Q837 PolarHBondContact N-O 3.02Å; D834-Q837 VanDerWaalsContact N-O 3.08Å; D834-Q837 PolarHBondContact O-N 3.27Å; D835-Q837 VanDerWaalsContact C-N 3.27Å; D835-Q837 PolarHBondContact O-N 2.67Å; Q837-I839 PolarHBondContact O-N 3.42Å
838	R	83.1	Confident	86.8	Confident	96 Å²	96	33.5 Å²	33.5	36%	0.362	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	111.3	170.7	-162.1	-179.7	81.7	-165.3	5.4	109.9	F734 K738 Y831 Y833	F734-R838 WeakPolarHBondContact CZ-O 3.45Å; K738-R838 PolarHBondContact NZ-O 3.15Å; Y831-R838 HydrophobicContact CD1-CG 4.3Å; Y831-R838 HydrophobicContact CG-CG 4.05Å; Y833-R838 HydrophobicContact CD1-CB 4.26Å; Y833-R838 HydrophobicContact CE1-CB 3.71Å; Y833-R838 HydrophobicContact CE1-CG 4.13Å; Y833-R838 HydrophobicContact CE2-CG 4.1Å
839	I	88.4	Confident	87.2	Confident	8 Å²	8	32.8 Å²	32.8	4%	0.041	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-154.1	-178.5	59	163	0	0	0	109.7	F734 S758 A759 Y831 L832 D834 Q837	F734-I839 VanDerWaalsContact CE1-C 3.43Å; F734-I839 WeakPolarHBondContact CE2-O 3.31Å; F734-I839 WeakPolarHBondContact CZ-O 3.37Å; S758-I839 WeakPolarHBondContact O-CG2 3.36Å; A759-I839 HydrophobicContact CB-CG2 4.03Å; Y831-I839 WeakPolarHBondContact CD1-O 3.32Å; L832-I839 HydrophobicContact CB-CD1 3.93Å; L832-I839 HydrophobicContact CB-CG1 3.85Å; L832-I839 WeakPolarHBondContact O-CG1 3.49Å; L832-I839 PolarHBondContact O-N 2.73Å; D834-I839 HydrophobicContact CB-CD1 3.75Å; D834-I839 HydrophobicContact CB-CG1 4.47Å; D834-I839 HydrophobicContact CB-CG2 4.4Å; Q837-I839 PolarHBondContact O-N 3.42Å
840	E	92.1	Very high	87.5	Confident	8 Å²	8	33 Å²	33	4%	0.037	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	159	178.4	76.8	-80.5	-163	0	0	113.2	R730 K731 F734 L832	R730-E840 HydrophobicContact CB-CG 4.26Å; R730-E840 HydrophobicContact CG-CB 4.11Å; R730-E840 HydrophobicContact CG-CG 3.99Å; K731-E840 WeakPolarHBondContact CE-OE1 3.44Å; K731-E840 HydrophobicContact CG-CG 4.13Å; K731-E840 VanDerWaalsContact CG-OE1 3.3Å; K731-E840 WeakPolarHBondContact CG-OE1 3.49Å; K731-E840 WeakPolarHBondContact CG-OE2 3.47Å; K731-E840 IonicContact NZ-OE1 3.89Å; K731-E840 PolarHBondContact NZ-OE1 2.91Å; K731-E840 IonicContact NZ-OE2 3.41Å; K731-E840 PolarHBondContact NZ-OE2 3.3Å; F734-E840 HydrophobicContact CB-CB 3.76Å; F734-E840 HydrophobicContact CD1-CB 4.3Å; F734-E840 HydrophobicContact CD2-CB 4.46Å; F734-E840 HydrophobicContact CG-CB 3.95Å; L832-E840 WeakPolarHBondContact CB-O 3.16Å; L832-E840 PolarHBondContact N-O 3.08Å
841	P	92.4	Very high	87.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	161.7	169.3	32.6	-36.6	0	0	0	112.5	R730 L829 N830 Y831 W843 Y844	R730-P841 WeakPolarHBondContact CD-O 3.36Å; L829-P841 HydrophobicContact CB-CB 3.74Å; L829-P841 HydrophobicContact CB-CG 4.34Å; L829-P841 HydrophobicContact CD1-CB 4.36Å; L829-P841 HydrophobicContact CD1-CG 4.03Å; N830-P841 CarbonylContact O-C 3.49Å; N830-P841 WeakPolarHBondContact O-CA 3.48Å; Y831-P841 HydrophobicContact CD1-CB 4.22Å; Y831-P841 HydrophobicContact CE1-CB 4.34Å; Y831-P841 HydrophobicContact CE1-CG 4.37Å; P841-W843 PolarHBondContact O-N 3.04Å; P841-Y844 HydrophobicContact CG-CD1 4.29Å; P841-Y844 HydrophobicContact CG-CD2 3.82Å; P841-Y844 HydrophobicContact CG-CE1 4.04Å; P841-Y844 HydrophobicContact CG-CE2 3.55Å; P841-Y844 HydrophobicContact CG-CG 4.17Å
842	E	88.7	Confident	88.3	Confident	55 Å²	55	30.1 Å²	30.1	26%	0.257	14%	0.14	S	C	.	.	S	Bend	trans	-53.4	-43.2	175.3	-171.1	173.9	-172	0	0	111.5	R730 N830 L832	R730-E842 PolarHBondContact NH1-O 2.98Å; N830-E842 PolarHBondContact ND2-OE2 2.8Å; N830-E842 PolarHBondContact O-N 2.67Å; L832-E842 HydrophobicContact CD2-CB 4.31Å
843	W	93	Very high	88.8	Confident	32 Å²	32	27.5 Å²	27.5	12%	0.121	13%	0.126	C	C	.	.			trans	-155	160.4	164.7	38.3	-97	0	0	0	110.2	V722 D723 P841 A845 P1008 L1028 W1032	V722-W843 HydrophobicContact CB-CB 4.5Å; V722-W843 HydrophobicContact CB-CD2 4.08Å; V722-W843 HydrophobicContact CB-CE3 4.08Å; V722-W843 HydrophobicContact CB-CG 4.28Å; V722-W843 HydrophobicContact CG1-CD2 4.09Å; V722-W843 HydrophobicContact CG1-CE3 3.56Å; V722-W843 HydrophobicContact CG1-CZ3 3.82Å; V722-W843 HydrophobicContact CG2-CD2 4.07Å; V722-W843 HydrophobicContact CG2-CE3 4.36Å; V722-W843 HydrophobicContact CG2-CG 4.37Å; D723-W843 WeakPolarHBondContact OD2-CA 3.42Å; P841-W843 PolarHBondContact O-N 3.04Å; W843-A845 HydrophobicContact CZ3-CB 4.44Å; W843-P1008 HydrophobicContact CZ2-CB 4.3Å; W843-L1028 HydrophobicContact CH2-CD1 4.32Å; W843-L1028 HydrophobicContact CH2-CD2 4.2Å; W843-W1032 AromaticContact CH2-CE2 3.6Å; W843-W1032 HydrophobicContact CH2-CH2 4.47Å; W843-W1032 AromaticContact CH2-CZ2 3.43Å; W843-W1032 HydrophobicContact CH2-CZ2 3.43Å; W843-W1032 VanDerWaalsContact CH2-CZ2 3.43Å; W843-W1032 AromaticContact CH2-NE1 3.51Å; W843-W1032 HydrophobicContact CZ3-CD2 4.47Å; W843-W1032 AromaticContact CZ3-CE2 3.66Å; W843-W1032 HydrophobicContact CZ3-CH2 4.18Å; W843-W1032 AromaticContact CZ3-CZ2 3.49Å; W843-W1032 HydrophobicContact CZ3-CZ2 3.49Å; W843-W1032 VanDerWaalsContact CZ3-CZ2 3.49Å; W843-W1032 AromaticContact CZ3-NE1 3.9Å
844	Y	94.5	Very high	89.6	Confident	4 Å²	4	24.3 Å²	24.3	2%	0.016	12%	0.116	C	C	.	.			trans	-88.4	155.4	167.6	-78.7	-88.6	0	0	0	111	D723 R730 L733 F734 L737 F821 L829 P841 P846	D723-Y844 WeakPolarHBondContact CB-O 3.42Å; D723-Y844 PolarHBondContact OD2-N 3.04Å; R730-Y844 HydrophobicContact CG-CD2 3.81Å; R730-Y844 HydrophobicContact CG-CE2 3.79Å; L733-Y844 HydrophobicContact CD2-CD2 3.94Å; L733-Y844 HydrophobicContact CD2-CE2 4.04Å; L733-Y844 HydrophobicContact CD2-CG 4.39Å; L733-Y844 HydrophobicContact CG-CE2 4.3Å; F734-Y844 WeakPolarHBondContact CA-OH 3.29Å; L737-Y844 HydrophobicContact CD1-CE1 3.73Å; F821-Y844 HydrophobicContact CD1-CD1 4.35Å; F821-Y844 HydrophobicContact CD1-CG 4.11Å; F821-Y844 HydrophobicContact CE1-CG 4.37Å; L829-Y844 HydrophobicContact CD1-CD1 3.48Å; L829-Y844 VanDerWaalsContact CD1-CD1 3.48Å; L829-Y844 HydrophobicContact CD1-CE1 3.59Å; L829-Y844 HydrophobicContact CD1-CG 4.36Å; P841-Y844 HydrophobicContact CG-CD1 4.29Å; P841-Y844 HydrophobicContact CG-CD2 3.82Å; P841-Y844 HydrophobicContact CG-CE1 4.04Å; P841-Y844 HydrophobicContact CG-CE2 3.55Å; P841-Y844 HydrophobicContact CG-CG 4.17Å; Y844-P846 WeakPolarHBondContact O-CD 3.36Å
845	A	93.8	Very high	90.5	Very high	4 Å²	4	23 Å²	23	3%	0.033	11%	0.111	C	C	.	.			trans	-100.2	93.4	170.3	0	0	0	0	0	110.1	L829 W843 R1029 W1032	L829-A845 HydrophobicContact CD2-CB 4.43Å; W843-A845 HydrophobicContact CZ3-CB 4.44Å; A845-R1029 PolarHBondContact O-NH2 2.74Å; A845-W1032 HydrophobicContact CB-CD2 3.98Å; A845-W1032 HydrophobicContact CB-CE3 3.72Å; A845-W1032 HydrophobicContact CB-CG 4.43Å; A845-W1032 HydrophobicContact CB-CZ3 4.21Å
846	P	96.1	Very high	91.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.			trans	-73.4	162.8	173.7	30.8	-34.1	0	0	0	111.4	V722 I820 F821 Y844 I848 M850 F1025 R1029	V722-P846 WeakPolarHBondContact O-CD 3.32Å; V722-P846 VanDerWaalsContact O-CG 3.24Å; V722-P846 WeakPolarHBondContact O-CG 3.11Å; I820-P846 HydrophobicContact CG2-CB 3.68Å; I820-P846 CarbonylContact O-C 3.53Å; I820-P846 WeakPolarHBondContact O-CA 3.35Å; F821-P846 HydrophobicContact CD1-CB 3.87Å; F821-P846 HydrophobicContact CE1-CB 3.61Å; F821-P846 HydrophobicContact CE1-CG 4.08Å; F821-P846 HydrophobicContact CZ-CB 4.32Å; Y844-P846 WeakPolarHBondContact O-CD 3.36Å; P846-I848 VanDerWaalsContact C-N 3.33Å; P846-I848 WeakPolarHBondContact CB-O 3.3Å; P846-I848 VanDerWaalsContact CG-O 3.29Å; P846-I848 WeakPolarHBondContact CG-O 3.41Å; P846-M850 HydrophobicContact CB-CG 4.04Å; P846-M850 HydrophobicContact CG-CG 4.33Å; P846-F1025 HydrophobicContact CG-CE2 3.84Å; P846-F1025 HydrophobicContact CG-CZ 4.15Å; P846-F1025 WeakPolarHBondContact O-CZ 3.38Å; P846-R1029 PolarHBondContact O-NE 2.82Å; P846-R1029 PolarHBondContact O-NH2 2.81Å
847	I	96.2	Very high	92.5	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	10%	0.098	C	C	.	.	S	Bend	trans	-81.8	-9.1	172.8	63.4	169	0	0	0	114.1	L819 I820 Y1033 W1170 D1173 L1177	L819-I847 VanDerWaalsContact O-CD1 3.24Å; L819-I847 WeakPolarHBondContact O-CD1 3.15Å; I820-I847 PolarHBondContact O-N 2.71Å; I847-Y1033 WeakPolarHBondContact CG2-OH 3.44Å; I847-W1170 PolarHBondContact O-NE1 3.34Å; I847-D1173 HydrophobicContact CD1-CB 4.08Å; I847-D1173 WeakPolarHBondContact CD1-O 3.47Å; I847-D1173 HydrophobicContact CG2-CB 4.34Å; I847-L1177 HydrophobicContact CD1-CB 3.85Å; I847-L1177 HydrophobicContact CD1-CD2 3.79Å; I847-L1177 HydrophobicContact CD1-CG 4.39Å; I847-L1177 HydrophobicContact CG1-CD2 4.03Å
848	I	96.3	Very high	93.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-138.4	152.2	175.7	60.7	169.1	0	0	0	111	P846 M850 V853 V872 I875 I876 L879 F1025 L1174 L1177	P846-I848 VanDerWaalsContact C-N 3.33Å; P846-I848 WeakPolarHBondContact CB-O 3.3Å; P846-I848 VanDerWaalsContact CG-O 3.29Å; P846-I848 WeakPolarHBondContact CG-O 3.41Å; I848-M850 HydrophobicContact CD1-SD 4.13Å; I848-M850 HydrophobicContact CG1-SD 4.06Å; I848-M850 PolarHBondContact O-N 3.33Å; I848-V853 HydrophobicContact CD1-CG2 3.78Å; I848-V853 HydrophobicContact CG1-CG2 4.43Å; I848-V872 HydrophobicContact CD1-CG1 4.27Å; I848-I875 HydrophobicContact CB-CG2 4.38Å; I848-I876 HydrophobicContact CG2-CG1 3.98Å; I848-L879 HydrophobicContact CB-CD1 4.3Å; I848-L879 HydrophobicContact CG2-CD1 3.83Å; I848-F1025 WeakPolarHBondContact O-CZ 3.33Å; I848-L1174 HydrophobicContact CG2-CD2 3.6Å; I848-L1177 HydrophobicContact CD1-CD2 3.83Å; I848-L1177 HydrophobicContact CG1-CD2 4.16Å; I848-L1177 HydrophobicContact CG2-CD2 4.02Å
849	P	96.1	Very high	93.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.			trans	-71.1	85.4	-178.1	28.1	-35.6	0	0	0	111.9	V851 L852 V853 I875 F1025	P849-V851 PolarHBondContact O-N 2.9Å; P849-V851 VanDerWaalsContact O-N 3.08Å; P849-L852 HydrophobicContact CB-CD1 4.45Å; P849-L852 HydrophobicContact CG-CD1 4.32Å; P849-L852 PolarHBondContact O-N 3.36Å; P849-V853 PolarHBondContact O-N 2.8Å; P849-I875 HydrophobicContact CG-CG2 3.63Å; P849-F1025 HydrophobicContact CB-CB 4.24Å; P849-F1025 HydrophobicContact CB-CD1 3.89Å; P849-F1025 HydrophobicContact CB-CD2 4.01Å; P849-F1025 HydrophobicContact CB-CE1 4.28Å; P849-F1025 HydrophobicContact CB-CE2 4.4Å; P849-F1025 HydrophobicContact CB-CG 3.75Å; P849-F1025 HydrophobicContact CG-CD1 4.14Å; P849-F1025 HydrophobicContact CG-CE1 4.43Å; P849-F1025 HydrophobicContact CG-CG 4.47Å
850	M	96.3	Very high	93.2	Very high	7 Å²	7	18.6 Å²	18.6	3%	0.034	10%	0.103	C	C	.	.	H	α-helix	trans	-58.3	-25.2	-175.5	-76.7	-58.3	-54.5	0	0	114.2	D723 L786 I820 F821 P846 I848 L852 V853 N854	D723-M850 WeakPolarHBondContact O-CB 3.26Å; L786-M850 HydrophobicContact CD2-CE 4.07Å; I820-M850 HydrophobicContact CD1-SD 4.03Å; I820-M850 HydrophobicContact CG2-CG 3.81Å; I820-M850 HydrophobicContact CG2-SD 3.87Å; F821-M850 HydrophobicContact CZ-CG 4.42Å; P846-M850 HydrophobicContact CB-CG 4.04Å; P846-M850 HydrophobicContact CG-CG 4.33Å; I848-M850 HydrophobicContact CD1-SD 4.13Å; I848-M850 HydrophobicContact CG1-SD 4.06Å; I848-M850 PolarHBondContact O-N 3.33Å; M850-L852 PolarHBondContact O-N 3.24Å; M850-V853 HydrophobicContact CE-CB 4.08Å; M850-V853 HydrophobicContact CE-CG1 4Å; M850-V853 PolarHBondContact O-N 3.5Å; M850-V853 VanDerWaalsContact O-N 3.16Å; M850-V853 HydrophobicContact SD-CB 4.11Å; M850-V853 HydrophobicContact SD-CG1 4.29Å; M850-V853 HydrophobicContact SD-CG2 4Å; M850-N854 WeakPolarHBondContact CE-ND2 3.48Å; M850-N854 PolarHBondContact O-N 2.92Å; M850-N854 VanDerWaalsContact O-N 3.13Å
851	V	95.4	Very high	92.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-28.4	173.8	75.5	0	0	0	0	113.3	P719 P849 G855 I867 I1021	P719-V851 HydrophobicContact CG-CG2 4.16Å; P849-V851 PolarHBondContact O-N 2.9Å; P849-V851 VanDerWaalsContact O-N 3.08Å; V851-G855 CarbonylContact O-C 3.46Å; V851-G855 VanDerWaalsContact O-CA 3.28Å; V851-G855 WeakPolarHBondContact O-CA 3.44Å; V851-G855 PolarHBondContact O-N 3.15Å; V851-I867 HydrophobicContact CG2-CD1 3.6Å; V851-I867 WeakPolarHBondContact O-CG2 3.48Å; V851-I1021 HydrophobicContact CG1-CG2 3.73Å
852	L	96	Very high	92.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-90.5	-27.5	173.7	-62.3	179.1	0	0	0	112.1	P849 M850 I867 N869 Y870 I875 M891 E1018 I1021 I1022	P849-L852 HydrophobicContact CB-CD1 4.45Å; P849-L852 HydrophobicContact CG-CD1 4.32Å; P849-L852 PolarHBondContact O-N 3.36Å; M850-L852 PolarHBondContact O-N 3.24Å; L852-I867 HydrophobicContact CD2-CG2 4Å; L852-N869 CarbonylContact O-C 3.55Å; L852-Y870 HydrophobicContact CB-CD2 4.11Å; L852-Y870 HydrophobicContact CD2-CD2 4.08Å; L852-Y870 HydrophobicContact CD2-CE2 4.06Å; L852-Y870 PolarHBondContact O-N 2.76Å; L852-I875 HydrophobicContact CB-CD1 3.94Å; L852-M891 HydrophobicContact CD1-CE 4.33Å; L852-E1018 HydrophobicContact CD2-CB 4.2Å; L852-I1021 HydrophobicContact CD1-CB 4.33Å; L852-I1021 HydrophobicContact CD1-CG2 3.96Å; L852-I1021 HydrophobicContact CD2-CB 4.48Å; L852-I1021 HydrophobicContact CD2-CD1 4.06Å; L852-I1021 HydrophobicContact CD2-CG2 4.16Å; L852-I1021 HydrophobicContact CG-CG2 3.95Å; L852-I1022 HydrophobicContact CD1-CD1 4.08Å; L852-I1022 HydrophobicContact CD1-CG1 3.51Å
853	V	96.5	Very high	92.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.2	-55.4	177.9	174.7	0	0	0	0	111.1	N783 L784 I848 P849 M850 V872 I875	N783-V853 HydrophobicContact CB-CG1 4.34Å; N783-V853 WeakPolarHBondContact CB-O 3.31Å; N783-V853 PolarHBondContact ND2-O 2.8Å; L784-V853 HydrophobicContact CB-CG1 3.78Å; I848-V853 HydrophobicContact CD1-CG2 3.78Å; I848-V853 HydrophobicContact CG1-CG2 4.43Å; P849-V853 PolarHBondContact O-N 2.8Å; M850-V853 HydrophobicContact CE-CB 4.08Å; M850-V853 HydrophobicContact CE-CG1 4Å; M850-V853 PolarHBondContact O-N 3.5Å; M850-V853 VanDerWaalsContact O-N 3.16Å; M850-V853 HydrophobicContact SD-CB 4.11Å; M850-V853 HydrophobicContact SD-CG1 4.29Å; M850-V853 HydrophobicContact SD-CG2 4Å; V853-V872 HydrophobicContact CG1-CG2 3.89Å; V853-I875 HydrophobicContact CB-CD1 4.5Å; V853-I875 HydrophobicContact CG2-CD1 3.68Å
854	N	95.2	Very high	92.1	Very high	26 Å²	26	19.2 Å²	19.2	14%	0.139	12%	0.12	C	C	.	.	S	Bend	trans	-100.7	-3.8	-175.1	-73.6	-25.9	0	0	0	114	N782 N783 L784 M850 N869	N782-N854 WeakPolarHBondContact CB-OD1 3.46Å; N783-N854 PolarHBondContact N-OD1 2.92Å; L784-N854 PolarHBondContact N-OD1 3.43Å; L784-N854 PolarHBondContact O-ND2 3.26Å; L784-N854 PolarHBondContact O-OD1 2.92Å; M850-N854 WeakPolarHBondContact CE-ND2 3.48Å; M850-N854 PolarHBondContact O-N 2.92Å; M850-N854 VanDerWaalsContact O-N 3.13Å; N854-N869 PolarHBondContact O-ND2 3.37Å; N854-N869 PolarHBondContact O-OD1 3.09Å
855	G	93	Very high	92	Very high	11 Å²	11	19.2 Å²	19.2	11%	0.113	12%	0.12	C	C	.	.			trans	65.1	-174.4	-171.1	0	0	0	0	0	112.7	V851 I867	V851-G855 CarbonylContact O-C 3.46Å; V851-G855 VanDerWaalsContact O-CA 3.28Å; V851-G855 WeakPolarHBondContact O-CA 3.44Å; V851-G855 PolarHBondContact O-N 3.15Å; G855-I867 CarbonylContact C-O 3.48Å; G855-I867 VanDerWaalsContact CA-O 3.23Å; G855-I867 WeakPolarHBondContact CA-O 3.18Å
856	A	93.3	Very high	91.9	Very high	12 Å²	12	21.6 Å²	21.6	10%	0.099	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	128.1	174	0	0	0	0	0	112	P719 H866 I867	P719-A856 HydrophobicContact CG-CB 3.8Å; A856-H866 CarbonylContact O-C 3.42Å; A856-H866 WeakPolarHBondContact O-CA 3.21Å; A856-I867 HydrophobicContact CB-CB 4.32Å; A856-I867 HydrophobicContact CB-CD1 4.34Å; A856-I867 PolarHBondContact N-O 3.25Å; A856-I867 PolarHBondContact O-N 2.68Å
857	D	91.6	Very high	91.8	Very high	69 Å²	69	21.6 Å²	21.6	37%	0.369	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.1	167.3	-60.6	-83.7	0	0	0	110.6	K726 T865 H866 R932	K726-D857 PolarHBondContact NZ-O 3.45Å; D857-T865 WeakPolarHBondContact CA-O 3.43Å; D857-H866 IonicContact OD1-CD2 3.91Å; D857-H866 PolarHBondContact OD1-CD2 2.94Å; D857-H866 IonicContact OD1-CG 2.81Å; D857-H866 IonicContact OD1-NE2 3.59Å; D857-R932 VanDerWaalsContact CG-NH1 3.31Å; D857-R932 IonicContact OD1-CZ 3.28Å; D857-R932 IonicContact OD1-NH1 2.77Å; D857-R932 PolarHBondContact OD1-NH1 3.17Å; D857-R932 IonicContact OD1-NH2 2.6Å; D857-R932 IonicContact OD2-CZ 3.51Å; D857-R932 VanDerWaalsContact OD2-CZ 3.27Å; D857-R932 IonicContact OD2-NH1 2.72Å; D857-R932 PolarHBondContact OD2-NH1 2.95Å; D857-R932 IonicContact OD2-NH2 2.95Å; D857-R932 PolarHBondContact OD2-NH2 3.05Å
858	G	87.9	Confident	91.7	Very high	12 Å²	12	21.6 Å²	21.6	12%	0.124	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	148.5	176.1	0	0	0	0	0	113.1	S717 A864 T865	S717-G858 WeakPolarHBondContact O-CA 3.5Å; G858-A864 CarbonylContact O-C 3.55Å; G858-A864 WeakPolarHBondContact O-CA 3.49Å; G858-T865 PolarHBondContact N-O 2.92Å; G858-T865 PolarHBondContact O-N 2.88Å
859	I	88.2	Confident	91.6	Very high	141 Å²	141	21.8 Å²	21.8	72%	0.723	13%	0.132	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	116.1	174.3	-55.3	175.7	0	0	0	106.8	S717 A864	S717-I859 PolarHBondContact OG-O 2.94Å; I859-A864 HydrophobicContact CG1-CB 4.28Å
860	G	85.1	Confident	91.6	Very high	9 Å²	9	21.8 Å²	21.8	9%	0.093	13%	0.132	C	C	.	.			trans	-116.4	-172.9	171.8	0	0	0	0	0	110.9	N714 G862 Y863	N714-G860 WeakPolarHBondContact OD1-CA 3.14Å; G860-G862 PolarHBondContact O-N 3.06Å; G860-Y863 PolarHBondContact N-O 3.05Å; G860-Y863 PolarHBondContact O-N 3.34Å; G860-Y863 VanDerWaalsContact O-O 3.05Å
861	T	84.5	Confident	91.5	Very high	26 Å²	26	23.2 Å²	23.2	16%	0.16	14%	0.139	C	C	.	.	S	Bend	trans	-69.6	101.1	-177	-69.9	0	0	0	0	110.9	L668 D713 N714	L668-T861 HydrophobicContact CD1-CG2 4.33Å; L668-T861 WeakPolarHBondContact CD1-O 3.22Å; D713-T861 WeakPolarHBondContact OD2-CB 3.42Å; D713-T861 PolarHBondContact OD2-N 2.95Å; D713-T861 PolarHBondContact OD2-OG1 3.35Å; N714-T861 PolarHBondContact ND2-O 2.95Å; N714-T861 PolarHBondContact OD1-N 2.64Å
862	G	81.6	Confident	91.5	Very high	20 Å²	20	23.2 Å²	23.2	21%	0.206	14%	0.14	C	C	.	.	S	Bend	trans	93.4	-17.9	176.8	0	0	0	0	0	115.1	K665 G860	K665-G862 WeakPolarHBondContact CE-O 3.43Å; G860-G862 PolarHBondContact O-N 3.06Å
863	Y	86.5	Confident	91.5	Very high	23 Å²	23	25.1 Å²	25.1	9%	0.09	15%	0.149	C	C	.	.			trans	-122.6	154	-177.2	-65.7	-101.5	0	0	0	111.7	K665 L668 T669 G860 V1004 L1012	K665-Y863 HydrophobicContact CB-CE2 4.14Å; K665-Y863 HydrophobicContact CD-CD1 4.39Å; K665-Y863 HydrophobicContact CD-CE1 3.99Å; K665-Y863 HydrophobicContact CD-CE2 4.5Å; K665-Y863 HydrophobicContact CG-CD2 4.28Å; K665-Y863 HydrophobicContact CG-CE1 4.14Å; K665-Y863 HydrophobicContact CG-CE2 3.76Å; K665-Y863 PolarHBondContact O-OH 2.72Å; L668-Y863 HydrophobicContact CB-CE2 4.47Å; L668-Y863 HydrophobicContact CD1-CE2 4.32Å; T669-Y863 PolarHBondContact OG1-OH 2.98Å; T669-Y863 VanDerWaalsContact OG1-OH 3.05Å; G860-Y863 PolarHBondContact N-O 3.05Å; G860-Y863 PolarHBondContact O-N 3.34Å; G860-Y863 VanDerWaalsContact O-O 3.05Å; Y863-V1004 HydrophobicContact CD1-CG1 4.13Å; Y863-L1012 HydrophobicContact CD1-CD1 4.28Å; Y863-L1012 HydrophobicContact CD2-CD1 3.74Å; Y863-L1012 HydrophobicContact CE1-CB 4.42Å; Y863-L1012 HydrophobicContact CE1-CD1 4.33Å; Y863-L1012 HydrophobicContact CE2-CD1 3.83Å; Y863-L1012 HydrophobicContact CG-CD1 4Å
864	A	89.6	Confident	91.4	Very high	38 Å²	38	28.7 Å²	28.7	31%	0.314	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	144.9	168.8	0	0	0	0	0	108.8	G858 I859 S1002 V1004	G858-A864 CarbonylContact O-C 3.55Å; G858-A864 WeakPolarHBondContact O-CA 3.49Å; I859-A864 HydrophobicContact CG1-CB 4.28Å; A864-S1002 PolarHBondContact O-OG 3.47Å; A864-V1004 WeakPolarHBondContact O-CG2 3.45Å
865	T	92.8	Very high	91.4	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.025	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.8	173.4	-164.4	0	0	0	0	110.1	I718 D857 G858 S1002 V1004	I718-T865 HydrophobicContact CG1-CG2 4.31Å; D857-T865 WeakPolarHBondContact CA-O 3.43Å; G858-T865 PolarHBondContact N-O 2.92Å; G858-T865 PolarHBondContact O-N 2.88Å; T865-S1002 CarbonylContact C-O 3.59Å; T865-S1002 VanDerWaalsContact CA-O 3.31Å; T865-S1002 WeakPolarHBondContact CA-O 3.3Å; T865-V1004 WeakPolarHBondContact CB-O 3.39Å; T865-V1004 PolarHBondContact OG1-N 2.86Å; T865-V1004 PolarHBondContact OG1-O 3.38Å
866	H	92.7	Very high	91.6	Very high	55 Å²	55	27 Å²	27	26%	0.255	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	84.2	177.5	-177.3	-78.7	0	0	0	108.8	A856 D857 R932 S999 S1002	A856-H866 CarbonylContact O-C 3.42Å; A856-H866 WeakPolarHBondContact O-CA 3.21Å; D857-H866 IonicContact OD1-CD2 3.91Å; D857-H866 PolarHBondContact OD1-CD2 2.94Å; D857-H866 IonicContact OD1-CG 2.81Å; D857-H866 IonicContact OD1-NE2 3.59Å; H866-R932 PolarHBondContact NE2-NH1 2.86Å; H866-S999 PolarHBondContact ND1-O 2.87Å; H866-S1002 PolarHBondContact N-O 2.84Å
867	I	93.7	Very high	91.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.9	179.3	-54.2	174.8	0	0	0	107.5	V851 L852 G855 A856 M1003 C1005	V851-I867 HydrophobicContact CG2-CD1 3.6Å; V851-I867 WeakPolarHBondContact O-CG2 3.48Å; L852-I867 HydrophobicContact CD2-CG2 4Å; G855-I867 CarbonylContact C-O 3.48Å; G855-I867 VanDerWaalsContact CA-O 3.23Å; G855-I867 WeakPolarHBondContact CA-O 3.18Å; A856-I867 HydrophobicContact CB-CB 4.32Å; A856-I867 HydrophobicContact CB-CD1 4.34Å; A856-I867 PolarHBondContact N-O 3.25Å; A856-I867 PolarHBondContact O-N 2.68Å; I867-M1003 HydrophobicContact CD1-CB 4.48Å; I867-M1003 HydrophobicContact CG1-CB 3.95Å; I867-M1003 HydrophobicContact CG1-CG 3.9Å; I867-C1005 WeakPolarHBondContact CD1-SG 3.49Å
868	L	93.7	Very high	91.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-86.6	155.7	-179.4	-63.8	177.1	0	0	0	111.5	Y870 P893 F895 Y910 M998 T1000	L868-Y870 HydrophobicContact CB-CE2 4.38Å; L868-Y870 WeakPolarHBondContact O-CD2 3.39Å; L868-Y870 WeakPolarHBondContact O-CE2 3.42Å; L868-P893 HydrophobicContact CB-CB 4.1Å; L868-P893 HydrophobicContact CB-CG 4.33Å; L868-P893 HydrophobicContact CD1-CB 3.8Å; L868-P893 HydrophobicContact CD1-CG 3.47Å; L868-P893 VanDerWaalsContact CD1-CG 3.47Å; L868-F895 HydrophobicContact CD2-CZ 4.34Å; L868-Y910 HydrophobicContact CD1-CD2 3.91Å; L868-Y910 HydrophobicContact CD1-CE2 4.14Å; L868-M998 HydrophobicContact CD1-CB 4.24Å; L868-M998 HydrophobicContact CD1-CE 3.88Å; L868-M998 HydrophobicContact CD2-CB 4.47Å; L868-M998 HydrophobicContact CD2-CE 4.02Å; L868-M998 HydrophobicContact CD2-SD 3.91Å; L868-T1000 HydrophobicContact CB-CG2 4.29Å; L868-T1000 HydrophobicContact CD1-CG2 3.74Å; L868-T1000 HydrophobicContact CG-CG2 3.8Å
869	N	94.9	Very high	92.3	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-70.8	143.8	170.5	-50.8	44.3	0	0	0	110.8	S781 L852 N854 P893 N894 F895	S781-N869 PolarHBondContact O-ND2 2.84Å; L852-N869 CarbonylContact O-C 3.55Å; N854-N869 PolarHBondContact O-ND2 3.37Å; N854-N869 PolarHBondContact O-OD1 3.09Å; N869-P893 CarbonylContact O-C 3.6Å; N869-P893 WeakPolarHBondContact O-CA 3.21Å; N869-N894 CarbonylContact C-O 3.56Å; N869-N894 WeakPolarHBondContact CB-O 3.21Å; N869-N894 PolarHBondContact O-N 3.39Å; N869-F895 HydrophobicContact CB-CD1 3.88Å; N869-F895 HydrophobicContact CB-CE1 3.72Å; N869-F895 HydrophobicContact CB-CZ 4.26Å; N869-F895 VanDerWaalsContact CG-CE1 3.49Å; N869-F895 VanDerWaalsContact OD1-CE1 3.27Å; N869-F895 WeakPolarHBondContact OD1-CE1 3.36Å
870	Y	95.4	Very high	92.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.12	C	C	.	.			trans	-129.1	165.4	175.5	-69.2	-88.9	0	0	0	110.7	N783 L852 L868 M891 L892 P893 E1018	N783-Y870 PolarHBondContact ND2-O 3.07Å; L852-Y870 HydrophobicContact CB-CD2 4.11Å; L852-Y870 HydrophobicContact CD2-CD2 4.08Å; L852-Y870 HydrophobicContact CD2-CE2 4.06Å; L852-Y870 PolarHBondContact O-N 2.76Å; L868-Y870 HydrophobicContact CB-CE2 4.38Å; L868-Y870 WeakPolarHBondContact O-CD2 3.39Å; L868-Y870 WeakPolarHBondContact O-CE2 3.42Å; Y870-M891 HydrophobicContact CD1-CB 3.57Å; Y870-M891 HydrophobicContact CD1-CE 3.85Å; Y870-M891 HydrophobicContact CD2-CE 4.46Å; Y870-M891 HydrophobicContact CE1-CB 3.92Å; Y870-M891 HydrophobicContact CE1-CE 4.44Å; Y870-M891 HydrophobicContact CG-CE 3.85Å; Y870-L892 WeakPolarHBondContact CD1-O 3.4Å; Y870-P893 HydrophobicContact CE1-CG 4.22Å; Y870-E1018 HydrophobicContact CE1-CG 4.26Å; Y870-E1018 HydrophobicContact CE2-CB 4.23Å
871	N	94.9	Very high	93.2	Very high	37 Å²	37	23.2 Å²	23.2	20%	0.198	12%	0.123	C	C	.	.			trans	-74.8	131.7	-175.4	-169.6	-81.1	0	0	0	111.7	I873 E874 I875 N894	N871-I873 VanDerWaalsContact C-N 3.29Å; N871-I873 PolarHBondContact O-N 3.26Å; N871-I873 WeakPolarHBondContact OD1-CB 3.35Å; N871-I873 PolarHBondContact OD1-N 2.85Å; N871-E874 HydrophobicContact CB-CB 4.06Å; N871-E874 HydrophobicContact CB-CG 3.93Å; N871-E874 PolarHBondContact O-N 2.76Å; N871-E874 PolarHBondContact OD1-N 3.5Å; N871-I875 WeakPolarHBondContact O-CG1 3.34Å; N871-I875 PolarHBondContact O-N 2.95Å; N871-N894 HydrophobicContact CB-CB 3.96Å; N871-N894 PolarHBondContact ND2-OD1 3.05Å
872	V	94.6	Very high	93.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-58.5	-39.4	-178.1	-178.5	0	0	0	0	112.1	I848 V853 I876 Y1181	I848-V872 HydrophobicContact CD1-CG1 4.27Å; V853-V872 HydrophobicContact CG1-CG2 3.89Å; V872-I876 HydrophobicContact CG1-CD1 3.99Å; V872-I876 WeakPolarHBondContact O-CG1 3.44Å; V872-I876 PolarHBondContact O-N 3.35Å; V872-Y1181 HydrophobicContact CB-CE1 4.23Å; V872-Y1181 HydrophobicContact CB-CE2 4.09Å; V872-Y1181 HydrophobicContact CG1-CD2 4.18Å; V872-Y1181 HydrophobicContact CG1-CE1 4.47Å; V872-Y1181 HydrophobicContact CG1-CE2 4.09Å; V872-Y1181 HydrophobicContact CG1-CG 4.41Å; V872-Y1181 HydrophobicContact CG2-CE2 3.85Å
873	I	95	Very high	94.2	Very high	39 Å²	39	23 Å²	23	20%	0.2	12%	0.116	C	C	.	.	H	α-helix	trans	-76.1	-35.3	-178.9	-55.5	-60.9	0	0	0	111.2	N871 I875 I876 N877 E1178 Y1181	N871-I873 VanDerWaalsContact C-N 3.29Å; N871-I873 PolarHBondContact O-N 3.26Å; N871-I873 WeakPolarHBondContact OD1-CB 3.35Å; N871-I873 PolarHBondContact OD1-N 2.85Å; I873-I875 VanDerWaalsContact C-N 3.34Å; I873-I876 PolarHBondContact O-N 2.9Å; I873-N877 VanDerWaalsContact O-CB 3.3Å; I873-N877 WeakPolarHBondContact O-CB 3.5Å; I873-N877 PolarHBondContact O-N 3.01Å; I873-N877 PolarHBondContact O-ND2 2.78Å; I873-E1178 HydrophobicContact CD1-CG 4.13Å; I873-Y1181 HydrophobicContact CD1-CD1 3.95Å; I873-Y1181 HydrophobicContact CD1-CE1 4.24Å; I873-Y1181 HydrophobicContact CG1-CE1 4.33Å
874	E	95.1	Very high	94.6	Very high	75 Å²	75	26.5 Å²	26.5	35%	0.35	14%	0.136	S	C	.	.	H	α-helix	trans	-63.6	-39.6	172.5	-69.8	179.2	-156.9	0	0	111.9	N871 N877 N878 M891	N871-E874 HydrophobicContact CB-CB 4.06Å; N871-E874 HydrophobicContact CB-CG 3.93Å; N871-E874 PolarHBondContact O-N 2.76Å; N871-E874 PolarHBondContact OD1-N 3.5Å; E874-N877 PolarHBondContact O-N 3.5Å; E874-N878 WeakPolarHBondContact O-CB 3.38Å; E874-N878 PolarHBondContact O-N 3.35Å; E874-M891 HydrophobicContact CB-CG 4.25Å; E874-M891 HydrophobicContact CB-SD 3.91Å
875	I	95.9	Very high	94.6	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-62	-50.2	174	-69.7	167.1	0	0	0	110.7	I848 P849 L852 V853 N871 I873 N877 N878 L879 M891	I848-I875 HydrophobicContact CB-CG2 4.38Å; P849-I875 HydrophobicContact CG-CG2 3.63Å; L852-I875 HydrophobicContact CB-CD1 3.94Å; V853-I875 HydrophobicContact CB-CD1 4.5Å; V853-I875 HydrophobicContact CG2-CD1 3.68Å; N871-I875 WeakPolarHBondContact O-CG1 3.34Å; N871-I875 PolarHBondContact O-N 2.95Å; I873-I875 VanDerWaalsContact C-N 3.34Å; I875-N877 VanDerWaalsContact C-N 3.35Å; I875-N877 PolarHBondContact O-N 2.88Å; I875-N878 PolarHBondContact O-N 2.78Å; I875-L879 HydrophobicContact CG2-CD1 4.36Å; I875-L879 WeakPolarHBondContact O-CG 3.34Å; I875-L879 PolarHBondContact O-N 2.83Å; I875-M891 HydrophobicContact CG1-CE 3.97Å; I875-M891 HydrophobicContact CG1-SD 3.85Å
876	I	96.2	Very high	94.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.9	-43.3	178.7	-70.6	167.8	0	0	0	111	I848 V872 I873 N878 L879 Y880 L1174 L1177 E1178	I848-I876 HydrophobicContact CG2-CG1 3.98Å; V872-I876 HydrophobicContact CG1-CD1 3.99Å; V872-I876 WeakPolarHBondContact O-CG1 3.44Å; V872-I876 PolarHBondContact O-N 3.35Å; I873-I876 PolarHBondContact O-N 2.9Å; I876-N878 VanDerWaalsContact C-N 3.33Å; I876-N878 PolarHBondContact O-N 2.82Å; I876-L879 PolarHBondContact O-N 2.7Å; I876-L879 VanDerWaalsContact O-N 3.16Å; I876-Y880 HydrophobicContact CG2-CD2 3.87Å; I876-Y880 HydrophobicContact CG2-CE2 3.42Å; I876-Y880 VanDerWaalsContact CG2-CE2 3.42Å; I876-Y880 WeakPolarHBondContact O-CD2 3.49Å; I876-Y880 PolarHBondContact O-N 3.3Å; I876-L1174 HydrophobicContact CG1-CD2 4.32Å; I876-L1177 HydrophobicContact CD1-CD2 4.41Å; I876-E1178 HydrophobicContact CD1-CB 4.38Å
877	N	96.1	Very high	94.6	Very high	73 Å²	73	35.9 Å²	35.9	39%	0.39	19%	0.192	S	C	.	.	H	α-helix	trans	-61.3	-39.4	175.9	-73.2	-23.1	0	0	0	112.6	I873 E874 I875 R881	I873-N877 VanDerWaalsContact O-CB 3.3Å; I873-N877 WeakPolarHBondContact O-CB 3.5Å; I873-N877 PolarHBondContact O-N 3.01Å; I873-N877 PolarHBondContact O-ND2 2.78Å; E874-N877 PolarHBondContact O-N 3.5Å; I875-N877 VanDerWaalsContact C-N 3.35Å; I875-N877 PolarHBondContact O-N 2.88Å; N877-R881 WeakPolarHBondContact O-CB 3.1Å; N877-R881 VanDerWaalsContact O-CG 3.29Å; N877-R881 WeakPolarHBondContact O-CG 3.32Å; N877-R881 PolarHBondContact O-N 3.44Å
878	N	96.1	Very high	94.6	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.032	20%	0.195	C	C	.	.	H	α-helix	trans	-67.5	-35.9	174.7	-90.7	-23.9	0	0	0	112.5	E874 I875 I876 R881 M882 P888 H889 I1022	E874-N878 WeakPolarHBondContact O-CB 3.38Å; E874-N878 PolarHBondContact O-N 3.35Å; I875-N878 PolarHBondContact O-N 2.78Å; I876-N878 VanDerWaalsContact C-N 3.33Å; I876-N878 PolarHBondContact O-N 2.82Å; N878-R881 PolarHBondContact O-N 2.8Å; N878-M882 WeakPolarHBondContact O-CG 3.21Å; N878-M882 PolarHBondContact O-N 2.87Å; N878-P888 HydrophobicContact CB-CB 4.19Å; N878-H889 PolarHBondContact ND2-O 2.85Å; N878-H889 PolarHBondContact OD1-N 3.25Å; N878-I1022 HydrophobicContact CB-CD1 4.48Å
879	L	95.9	Very high	94.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-44.6	173.9	-68.3	172.8	0	0	0	112.1	I848 I875 I876 R881 M882 L883 I1022 F1025 Y1026 W1170 L1174	I848-L879 HydrophobicContact CB-CD1 4.3Å; I848-L879 HydrophobicContact CG2-CD1 3.83Å; I875-L879 HydrophobicContact CG2-CD1 4.36Å; I875-L879 WeakPolarHBondContact O-CG 3.34Å; I875-L879 PolarHBondContact O-N 2.83Å; I876-L879 PolarHBondContact O-N 2.7Å; I876-L879 VanDerWaalsContact O-N 3.16Å; L879-R881 VanDerWaalsContact C-N 3.32Å; L879-R881 PolarHBondContact O-N 3.26Å; L879-M882 PolarHBondContact O-N 2.93Å; L879-L883 VanDerWaalsContact O-CG 3.31Å; L879-L883 WeakPolarHBondContact O-CG 3.33Å; L879-L883 PolarHBondContact O-N 2.87Å; L879-I1022 HydrophobicContact CD2-CG2 4.22Å; L879-F1025 HydrophobicContact CD2-CD1 4.49Å; L879-Y1026 HydrophobicContact CD2-CD2 4.25Å; L879-W1170 HydrophobicContact CD1-CZ2 4.15Å; L879-W1170 HydrophobicContact CD2-CH2 4.02Å; L879-W1170 HydrophobicContact CD2-CZ2 3.87Å; L879-W1170 HydrophobicContact CG-CZ2 4.48Å; L879-L1174 HydrophobicContact CB-CD1 4.04Å; L879-L1174 HydrophobicContact CD1-CD2 3.96Å
880	Y	96.5	Very high	94.3	Very high	42 Å²	42	47.7 Å²	47.7	17%	0.165	24%	0.242	C	C	.	.	H	α-helix	trans	-56.6	-47.1	172.7	-72.1	-49.9	0	0	0	111.4	I876 M882 L883 D884 R1171 L1174 K1175 E1178	I876-Y880 HydrophobicContact CG2-CD2 3.87Å; I876-Y880 HydrophobicContact CG2-CE2 3.42Å; I876-Y880 VanDerWaalsContact CG2-CE2 3.42Å; I876-Y880 WeakPolarHBondContact O-CD2 3.49Å; I876-Y880 PolarHBondContact O-N 3.3Å; Y880-M882 VanDerWaalsContact C-N 3.31Å; Y880-M882 PolarHBondContact O-N 3.12Å; Y880-L883 CarbonylContact O-C 3.58Å; Y880-L883 WeakPolarHBondContact O-CA 3.43Å; Y880-L883 WeakPolarHBondContact O-CB 3.43Å; Y880-L883 PolarHBondContact O-N 2.79Å; Y880-D884 VanDerWaalsContact O-CG 3.3Å; Y880-D884 PolarHBondContact O-N 2.72Å; Y880-D884 VanDerWaalsContact O-OD2 3.1Å; Y880-R1171 HydrophobicContact CD1-CG 4.49Å; Y880-L1174 HydrophobicContact CD1-CD1 4.13Å; Y880-L1174 HydrophobicContact CE1-CB 3.83Å; Y880-L1174 HydrophobicContact CE1-CD1 4.1Å; Y880-K1175 WeakPolarHBondContact OH-CA 3.44Å; Y880-K1175 PolarHBondContact OH-N 3.41Å; Y880-E1178 WeakPolarHBondContact CE2-OE2 3.48Å; Y880-E1178 PolarHBondContact OH-OE2 3.05Å
881	R	95.3	Very high	94.2	Very high	44 Å²	44	48 Å²	48	17%	0.166	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-38.3	179.2	-74.8	-178.6	68.5	-101.6	-13.4	112.7	N877 N878 L879 D884 G885 E886 E887 H889	N877-R881 WeakPolarHBondContact O-CB 3.1Å; N877-R881 VanDerWaalsContact O-CG 3.29Å; N877-R881 WeakPolarHBondContact O-CG 3.32Å; N877-R881 PolarHBondContact O-N 3.44Å; N878-R881 PolarHBondContact O-N 2.8Å; L879-R881 VanDerWaalsContact C-N 3.32Å; L879-R881 PolarHBondContact O-N 3.26Å; R881-D884 CarbonylContact O-C 3.56Å; R881-D884 WeakPolarHBondContact O-CB 3.46Å; R881-D884 PolarHBondContact O-N 3.45Å; R881-G885 PolarHBondContact O-N 3.28Å; R881-E886 HydrophobicContact CB-CB 4.19Å; R881-E886 IonicContact CZ-OE2 2.66Å; R881-E886 IonicContact NE-OE2 3.53Å; R881-E886 PolarHBondContact NE-OE2 2.68Å; R881-E886 IonicContact NH2-OE2 2.65Å; R881-E886 PolarHBondContact NH2-OE2 3.36Å; R881-E886 WeakPolarHBondContact O-CA 3.36Å; R881-E886 WeakPolarHBondContact O-CB 3.44Å; R881-E886 PolarHBondContact O-N 3.43Å; R881-E887 VanDerWaalsContact CZ-O 3.23Å; R881-E887 PolarHBondContact NH1-O 3.28Å; R881-E887 PolarHBondContact NH2-O 3.23Å; R881-H889 VanDerWaalsContact CZ-CE1 3.41Å; R881-H889 PolarHBondContact NH1-CD2 2.92Å; R881-H889 PolarHBondContact NH1-ND1 3.22Å
882	M	94.4	Very high	94	Very high	24 Å²	24	50.2 Å²	50.2	12%	0.118	26%	0.256	C	S	.	.	H	α-helix	trans	-68	-37.4	172.1	-71.5	-174.3	69.3	0	0	112.9	N878 L879 Y880 D884 G885 P888 I1022 R1023 Y1026	N878-M882 WeakPolarHBondContact O-CG 3.21Å; N878-M882 PolarHBondContact O-N 2.87Å; L879-M882 PolarHBondContact O-N 2.93Å; Y880-M882 VanDerWaalsContact C-N 3.31Å; Y880-M882 PolarHBondContact O-N 3.12Å; M882-D884 PolarHBondContact O-N 3.22Å; M882-G885 PolarHBondContact O-N 2.86Å; M882-P888 HydrophobicContact CG-CB 4.22Å; M882-P888 HydrophobicContact CG-CG 4.18Å; M882-P888 HydrophobicContact SD-CB 4.12Å; M882-P888 HydrophobicContact SD-CG 3.81Å; M882-I1022 HydrophobicContact SD-CG2 3.71Å; M882-R1023 HydrophobicContact CE-CG 3.97Å; M882-Y1026 HydrophobicContact CB-CD2 3.77Å; M882-Y1026 HydrophobicContact CB-CE2 3.58Å; M882-Y1026 HydrophobicContact CB-CG 4.36Å; M882-Y1026 HydrophobicContact CE-CD1 3.6Å; M882-Y1026 HydrophobicContact CE-CD2 4.11Å; M882-Y1026 HydrophobicContact CE-CE1 4.21Å; M882-Y1026 HydrophobicContact CE-CG 3.56Å; M882-Y1026 PolarHBondContact O-OH 2.69Å; M882-Y1026 HydrophobicContact SD-CD2 4.35Å; M882-Y1026 HydrophobicContact SD-CG 4.24Å
883	L	93.7	Very high	93.9	Very high	18 Å²	18	50.3 Å²	50.3	9%	0.094	26%	0.256	C	S	.	.	H	α-helix	trans	-65.2	-24.3	171.5	-66.4	166.2	0	0	0	112.6	L879 Y880 Y1026 W1170 R1171 L1174	L879-L883 VanDerWaalsContact O-CG 3.31Å; L879-L883 WeakPolarHBondContact O-CG 3.33Å; L879-L883 PolarHBondContact O-N 2.87Å; Y880-L883 CarbonylContact O-C 3.58Å; Y880-L883 WeakPolarHBondContact O-CA 3.43Å; Y880-L883 WeakPolarHBondContact O-CB 3.43Å; Y880-L883 PolarHBondContact O-N 2.79Å; L883-Y1026 HydrophobicContact CD2-CE2 3.8Å; L883-Y1026 HydrophobicContact CG-CE2 3.95Å; L883-W1170 HydrophobicContact CD1-CD2 4.39Å; L883-W1170 HydrophobicContact CD1-CG 4.43Å; L883-W1170 HydrophobicContact CD2-CD2 4.41Å; L883-W1170 HydrophobicContact CD2-CE3 3.78Å; L883-W1170 HydrophobicContact CD2-CZ3 4.21Å; L883-R1171 HydrophobicContact CD1-CG 3.86Å; L883-R1171 PolarHBondContact O-NH2 3.16Å; L883-L1174 HydrophobicContact CD1-CD1 3.83Å
884	D	93.2	Very high	93.9	Very high	95 Å²	95	51.2 Å²	51.2	51%	0.508	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-5	172	-64.1	-40.6	0	0	0	113.1	Y880 R881 M882 R1171	Y880-D884 VanDerWaalsContact O-CG 3.3Å; Y880-D884 PolarHBondContact O-N 2.72Å; Y880-D884 VanDerWaalsContact O-OD2 3.1Å; R881-D884 CarbonylContact O-C 3.56Å; R881-D884 WeakPolarHBondContact O-CB 3.46Å; R881-D884 PolarHBondContact O-N 3.45Å; M882-D884 PolarHBondContact O-N 3.22Å; D884-R1171 IonicContact OD1-CZ 3.24Å; D884-R1171 IonicContact OD1-NH1 2.69Å; D884-R1171 PolarHBondContact OD1-NH1 3.24Å; D884-R1171 IonicContact OD1-NH2 2.83Å; D884-R1171 PolarHBondContact OD1-NH2 2.89Å; D884-R1171 IonicContact OD2-NH1 3.24Å
885	G	91	Very high	93.8	Very high	71 Å²	71	47.8 Å²	47.8	73%	0.732	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.6	13	-177.8	0	0	0	0	0	115.1	R881 M882	R881-G885 PolarHBondContact O-N 3.28Å; M882-G885 PolarHBondContact O-N 2.86Å
886	E	93.5	Very high	93.6	Very high	102 Å²	102	50.2 Å²	50.2	48%	0.477	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-92.5	148.9	176.5	-56.1	-169.1	176.1	0	0	113.6	R881	R881-E886 HydrophobicContact CB-CB 4.19Å; R881-E886 IonicContact CZ-OE2 2.66Å; R881-E886 IonicContact NE-OE2 3.53Å; R881-E886 PolarHBondContact NE-OE2 2.68Å; R881-E886 IonicContact NH2-OE2 2.65Å; R881-E886 PolarHBondContact NH2-OE2 3.36Å; R881-E886 WeakPolarHBondContact O-CA 3.36Å; R881-E886 WeakPolarHBondContact O-CB 3.44Å; R881-E886 PolarHBondContact O-N 3.43Å
887	E	91.8	Very high	93.2	Very high	122 Å²	122	52.9 Å²	52.9	57%	0.57	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-66.8	125.8	174	-82.3	-75.2	-168.5	0	0	112.5	R881 R1023	R881-E887 VanDerWaalsContact CZ-O 3.23Å; R881-E887 PolarHBondContact NH1-O 3.28Å; R881-E887 PolarHBondContact NH2-O 3.23Å; E887-R1023 IonicContact OE1-CZ 2.71Å; E887-R1023 IonicContact OE1-NH2 2.69Å; E887-R1023 PolarHBondContact OE1-NH2 3.46Å; E887-R1023 IonicContact OE2-CZ 3.58Å; E887-R1023 IonicContact OE2-NE 3.46Å; E887-R1023 IonicContact OE2-NH2 3.58Å; E887-R1023 PolarHBondContact OE2-NH2 3.04Å
888	P	93.5	Very high	93	Very high	11 Å²	11	51 Å²	51	7%	0.071	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-63.2	145.3	-177.6	26.3	-36.9	0	0	0	113.3	N878 M882 I1019	N878-P888 HydrophobicContact CB-CB 4.19Å; M882-P888 HydrophobicContact CG-CB 4.22Å; M882-P888 HydrophobicContact CG-CG 4.18Å; M882-P888 HydrophobicContact SD-CB 4.12Å; M882-P888 HydrophobicContact SD-CG 3.81Å; P888-I1019 HydrophobicContact CG-CG1 4.47Å; P888-I1019 HydrophobicContact CG-CG2 3.82Å; P888-I1019 WeakPolarHBondContact O-CD1 3.39Å
889	H	92.8	Very high	92.8	Very high	117 Å²	117	54.8 Å²	54.8	54%	0.542	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-82	146.5	179.3	-69.4	149.8	0	0	0	112.2	N878 R881 M891	N878-H889 PolarHBondContact ND2-O 2.85Å; N878-H889 PolarHBondContact OD1-N 3.25Å; R881-H889 VanDerWaalsContact CZ-CE1 3.41Å; R881-H889 PolarHBondContact NH1-CD2 2.92Å; R881-H889 PolarHBondContact NH1-ND1 3.22Å; H889-M891 PolarHBondContact O-N 3.04Å
890	R	90.6	Very high	92.5	Very high	123 Å²	123	55.4 Å²	55.4	46%	0.464	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-60.7	129.4	169.1	-59.4	-73.7	-74.7	153.8	1	109.3	E1018 I1019	R890-E1018 IonicContact CZ-OE1 2.69Å; R890-E1018 IonicContact CZ-OE2 3.63Å; R890-E1018 IonicContact NE-OE1 2.75Å; R890-E1018 IonicContact NH1-OE1 3.98Å; R890-E1018 PolarHBondContact NH1-OE1 3.14Å; R890-E1018 IonicContact NH1-OE2 2.71Å; R890-E1018 PolarHBondContact NH1-OE2 2.65Å; R890-E1018 IonicContact NH2-OE2 3.2Å; R890-I1019 HydrophobicContact CG-CD1 4.13Å
891	M	92	Very high	92.3	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.03	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-102.9	152.9	178.1	-58.1	-179.8	-55.3	0	0	110.7	L852 Y870 E874 I875 H889 E1018 I1022	L852-M891 HydrophobicContact CD1-CE 4.33Å; Y870-M891 HydrophobicContact CD1-CB 3.57Å; Y870-M891 HydrophobicContact CD1-CE 3.85Å; Y870-M891 HydrophobicContact CD2-CE 4.46Å; Y870-M891 HydrophobicContact CE1-CB 3.92Å; Y870-M891 HydrophobicContact CE1-CE 4.44Å; Y870-M891 HydrophobicContact CG-CE 3.85Å; E874-M891 HydrophobicContact CB-CG 4.25Å; E874-M891 HydrophobicContact CB-SD 3.91Å; I875-M891 HydrophobicContact CG1-CE 3.97Å; I875-M891 HydrophobicContact CG1-SD 3.85Å; H889-M891 PolarHBondContact O-N 3.04Å; M891-E1018 HydrophobicContact CE-CG 4.15Å; M891-I1022 HydrophobicContact CE-CD1 3.76Å; M891-I1022 HydrophobicContact SD-CD1 4.4Å
892	L	91.7	Very high	92.2	Very high	85 Å²	85	55.6 Å²	55.6	45%	0.445	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-93.9	144	167.4	-69	178.6	0	0	0	109.9	Y870 N894 D904 Y910	Y870-L892 WeakPolarHBondContact CD1-O 3.4Å; L892-N894 PolarHBondContact O-N 2.72Å; L892-D904 HydrophobicContact CD2-CB 4.22Å; L892-Y910 HydrophobicContact CD2-CD1 4.33Å; L892-Y910 HydrophobicContact CD2-CE1 4.08Å
893	P	92.8	Very high	91.9	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.019	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-55.3	134.6	172	-25.3	34.8	0	0	0	111	L868 N869 Y870 F895 I902 Y910 M998	L868-P893 HydrophobicContact CB-CB 4.1Å; L868-P893 HydrophobicContact CB-CG 4.33Å; L868-P893 HydrophobicContact CD1-CB 3.8Å; L868-P893 HydrophobicContact CD1-CG 3.47Å; L868-P893 VanDerWaalsContact CD1-CG 3.47Å; N869-P893 CarbonylContact O-C 3.6Å; N869-P893 WeakPolarHBondContact O-CA 3.21Å; Y870-P893 HydrophobicContact CE1-CG 4.22Å; P893-F895 HydrophobicContact CB-CE2 4.23Å; P893-I902 VanDerWaalsContact O-CD1 3.28Å; P893-I902 WeakPolarHBondContact O-CD1 3.24Å; P893-Y910 VanDerWaalsContact CD-CE1 3.49Å; P893-Y910 HydrophobicContact CG-CD1 4.04Å; P893-Y910 HydrophobicContact CG-CD2 3.69Å; P893-Y910 HydrophobicContact CG-CE1 4.01Å; P893-Y910 HydrophobicContact CG-CE2 3.66Å; P893-Y910 HydrophobicContact CG-CG 3.88Å; P893-M998 HydrophobicContact CB-CE 4.34Å
894	N	94.4	Very high	91.7	Very high	57 Å²	57	60.4 Å²	60.4	31%	0.305	33%	0.334	S	S	.	.			trans	-141.1	134.4	-172.1	-173.5	-104.3	0	0	0	110.2	N783 N869 N871 L892	N783-N894 PolarHBondContact ND2-O 3.26Å; N869-N894 CarbonylContact C-O 3.56Å; N869-N894 WeakPolarHBondContact CB-O 3.21Å; N869-N894 PolarHBondContact O-N 3.39Å; N871-N894 HydrophobicContact CB-CB 3.96Å; N871-N894 PolarHBondContact ND2-OD1 3.05Å; L892-N894 PolarHBondContact O-N 2.72Å
895	F	93.7	Very high	91.3	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.018	32%	0.316	C	S	.	.			trans	-125.6	129.2	-176.2	-61.9	-92.8	0	0	0	109.6	N783 L868 N869 P893 G897 F898 I902 I931 M998	N783-F895 WeakPolarHBondContact OD1-CA 3.4Å; L868-F895 HydrophobicContact CD2-CZ 4.34Å; N869-F895 HydrophobicContact CB-CD1 3.88Å; N869-F895 HydrophobicContact CB-CE1 3.72Å; N869-F895 HydrophobicContact CB-CZ 4.26Å; N869-F895 VanDerWaalsContact CG-CE1 3.49Å; N869-F895 VanDerWaalsContact OD1-CE1 3.27Å; N869-F895 WeakPolarHBondContact OD1-CE1 3.36Å; P893-F895 HydrophobicContact CB-CE2 4.23Å; F895-G897 PolarHBondContact O-N 3.48Å; F895-F898 HydrophobicContact CB-CB 4.08Å; F895-F898 WeakPolarHBondContact O-CB 3.43Å; F895-F898 PolarHBondContact O-N 3.35Å; F895-F898 VanDerWaalsContact O-N 3.17Å; F895-I902 HydrophobicContact CD2-CD1 3.98Å; F895-I902 HydrophobicContact CE2-CD1 4.04Å; F895-I931 HydrophobicContact CB-CD1 3.68Å; F895-I931 HydrophobicContact CB-CG1 4.41Å; F895-I931 HydrophobicContact CD1-CD1 4.19Å; F895-I931 HydrophobicContact CD1-CG2 4.12Å; F895-I931 HydrophobicContact CD2-CD1 3.9Å; F895-I931 HydrophobicContact CD2-CG1 3.67Å; F895-I931 HydrophobicContact CD2-CG2 4.35Å; F895-I931 HydrophobicContact CE1-CG2 3.85Å; F895-I931 HydrophobicContact CE2-CG1 4.07Å; F895-I931 HydrophobicContact CE2-CG2 4.13Å; F895-I931 HydrophobicContact CG-CD1 3.64Å; F895-I931 HydrophobicContact CG-CG1 3.94Å; F895-I931 HydrophobicContact CG-CG2 4.35Å; F895-I931 HydrophobicContact CZ-CG2 3.87Å; F895-M998 HydrophobicContact CE2-CE 3.85Å; F895-M998 HydrophobicContact CZ-CE 4.15Å
896	R	91.1	Very high	90.8	Very high	51 Å²	51	54.5 Å²	54.5	19%	0.192	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	127.4	-178.4	-171.5	170.1	178	-131.5	-5.8	111.2	N783 F898 E1185	N783-R896 WeakPolarHBondContact O-CD 3.47Å; N783-R896 PolarHBondContact OD1-N 3.32Å; R896-F898 VanDerWaalsContact C-N 3.33Å; R896-F898 PolarHBondContact O-N 2.76Å; R896-E1185 IonicContact CZ-OE1 2.67Å; R896-E1185 IonicContact CZ-OE2 3.96Å; R896-E1185 IonicContact NE-OE1 2.76Å; R896-E1185 PolarHBondContact NE-OE1 3.1Å; R896-E1185 IonicContact NE-OE2 2.83Å; R896-E1185 PolarHBondContact NE-OE2 3.4Å; R896-E1185 IonicContact NH1-OE1 2.72Å; R896-E1185 IonicContact NH2-OE1 3.87Å; R896-E1185 PolarHBondContact NH2-OE1 2.88Å; R896-E1185 IonicContact NH2-OE2 3.93Å; R896-E1185 PolarHBondContact NH2-OE2 2.95Å
897	G	87.9	Confident	89.9	Confident	57 Å²	57	52.9 Å²	52.9	59%	0.588	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	5.9	179.8	0	0	0	0	0	116.6	V779 F895	V779-G897 WeakPolarHBondContact CG2-O 3.5Å; F895-G897 PolarHBondContact O-N 3.48Å
898	F	92.4	Very high	89.4	Confident	33 Å²	33	48.7 Å²	48.7	15%	0.145	27%	0.271	C	S	.	.			trans	-79.3	130.6	176.3	-176.3	-116.5	0	0	0	111.7	V779 F895 R896 G900 I902 C912 Y913 E928 L929 I931	V779-F898 HydrophobicContact CG1-CB 3.72Å; V779-F898 HydrophobicContact CG1-CD2 4.15Å; V779-F898 HydrophobicContact CG1-CG 4.43Å; F895-F898 HydrophobicContact CB-CB 4.08Å; F895-F898 WeakPolarHBondContact O-CB 3.43Å; F895-F898 PolarHBondContact O-N 3.35Å; F895-F898 VanDerWaalsContact O-N 3.17Å; R896-F898 VanDerWaalsContact C-N 3.33Å; R896-F898 PolarHBondContact O-N 2.76Å; F898-G900 WeakPolarHBondContact CD1-O 3.3Å; F898-G900 VanDerWaalsContact CE1-CA 3.48Å; F898-G900 WeakPolarHBondContact CE1-O 3.09Å; F898-G900 VanDerWaalsContact CZ-CA 3.49Å; F898-I902 HydrophobicContact CD1-CD1 4.36Å; F898-I902 HydrophobicContact CE1-CD1 4.15Å; F898-I902 HydrophobicContact CE1-CG1 4.02Å; F898-C912 WeakPolarHBondContact CZ-SG 3.39Å; F898-Y913 WeakPolarHBondContact CZ-O 3.22Å; F898-E928 HydrophobicContact CD2-CG 4.03Å; F898-E928 WeakPolarHBondContact CD2-OE2 3.12Å; F898-E928 HydrophobicContact CE2-CG 3.65Å; F898-E928 HydrophobicContact CZ-CG 4.39Å; F898-L929 WeakPolarHBondContact CE2-O 3.38Å; F898-I931 HydrophobicContact CB-CD1 4.15Å; F898-I931 HydrophobicContact CD1-CD1 4.47Å; F898-I931 HydrophobicContact CD1-CG1 4.43Å; F898-I931 HydrophobicContact CD2-CD1 3.49Å; F898-I931 VanDerWaalsContact CD2-CD1 3.49Å; F898-I931 HydrophobicContact CD2-CG1 3.95Å; F898-I931 HydrophobicContact CE1-CG1 4.41Å; F898-I931 HydrophobicContact CE2-CD1 3.97Å; F898-I931 HydrophobicContact CE2-CG1 3.95Å; F898-I931 HydrophobicContact CG-CD1 3.79Å; F898-I931 HydrophobicContact CG-CG1 4.21Å; F898-I931 HydrophobicContact CZ-CG1 4.18Å
899	T	90.3	Very high	89.2	Confident	85 Å²	85	52.3 Å²	52.3	52%	0.521	28%	0.283	S	S	.	.			trans	-101.4	-11.1	179.8	63.5	0	0	0	0	114.6	E915 E928	T899-E915 WeakPolarHBondContact CB-OE2 3.5Å; T899-E915 PolarHBondContact OG1-OE2 2.99Å; T899-E928 PolarHBondContact N-OE2 3.5Å; T899-E928 WeakPolarHBondContact OG1-CB 3.4Å; T899-E928 WeakPolarHBondContact OG1-CG 3.5Å
900	G	90.2	Very high	89	Confident	14 Å²	14	46.9 Å²	46.9	14%	0.144	26%	0.258	C	S	.	.	S	Bend	trans	-77.7	175.6	179.5	0	0	0	0	0	113.2	F898 Y913	F898-G900 WeakPolarHBondContact CD1-O 3.3Å; F898-G900 VanDerWaalsContact CE1-CA 3.48Å; F898-G900 WeakPolarHBondContact CE1-O 3.09Å; F898-G900 VanDerWaalsContact CZ-CA 3.49Å; G900-Y913 WeakPolarHBondContact CA-O 3.46Å
901	T	92.1	Very high	89.1	Confident	64 Å²	64	41 Å²	41	39%	0.393	24%	0.236	S	C	.	.			trans	-100	152.3	-179.4	67	0	0	0	0	112.5	Y913 P1237	T901-Y913 PolarHBondContact N-O 3.38Å; T901-Y913 PolarHBondContact O-N 3.08Å; T901-Y913 WeakPolarHBondContact OG1-CD2 3.43Å; T901-P1237 HydrophobicContact CG2-CG 4.5Å; T901-P1237 VanDerWaalsContact OG1-CG 3.22Å; T901-P1237 WeakPolarHBondContact OG1-CG 3.47Å
902	I	92.5	Very high	89.1	Confident	26 Å²	26	40.7 Å²	40.7	13%	0.133	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121.3	173.6	-64	175.1	0	0	0	108.3	P893 F895 F898 Y910 V911 C912 M998	P893-I902 VanDerWaalsContact O-CD1 3.28Å; P893-I902 WeakPolarHBondContact O-CD1 3.24Å; F895-I902 HydrophobicContact CD2-CD1 3.98Å; F895-I902 HydrophobicContact CE2-CD1 4.04Å; F898-I902 HydrophobicContact CD1-CD1 4.36Å; F898-I902 HydrophobicContact CE1-CD1 4.15Å; F898-I902 HydrophobicContact CE1-CG1 4.02Å; I902-Y910 HydrophobicContact CG2-CD1 4.48Å; I902-Y910 HydrophobicContact CG2-CG 4.49Å; I902-V911 VanDerWaalsContact CA-O 3.3Å; I902-V911 WeakPolarHBondContact CA-O 3.14Å; I902-C912 HydrophobicContact CG1-CB 4.14Å; I902-M998 HydrophobicContact CD1-CE 4.47Å
903	E	89.6	Confident	89.2	Confident	63 Å²	63	36.7 Å²	36.7	29%	0.294	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	139.3	-178.8	-64.2	-177.2	142.4	0	0	111	Y910 V911 Y913 V1239	E903-Y910 CarbonylContact O-C 3.5Å; E903-Y910 WeakPolarHBondContact O-CA 3.45Å; E903-V911 PolarHBondContact N-O 3.04Å; E903-V911 PolarHBondContact O-N 3.38Å; E903-Y913 HydrophobicContact CB-CE2 4.23Å; E903-Y913 HydrophobicContact CG-CE2 3.89Å; E903-Y913 WeakPolarHBondContact OE2-CE2 3.5Å; E903-Y913 VanDerWaalsContact OE2-CZ 3.31Å; E903-Y913 PolarHBondContact OE2-OH 3.3Å; E903-V1239 WeakPolarHBondContact OE2-CG2 3.43Å
904	D	88.8	Confident	89.1	Confident	79 Å²	79	36.6 Å²	36.6	42%	0.422	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	130.6	173.7	-174.6	21.7	0	0	0	111.5	L892 G906 R909 Y910	L892-D904 HydrophobicContact CD2-CB 4.22Å; D904-G906 WeakPolarHBondContact OD1-CA 3.45Å; D904-G906 PolarHBondContact OD1-N 3.07Å; D904-R909 VanDerWaalsContact OD1-O 3.1Å; D904-Y910 HydrophobicContact CB-CD1 4.02Å; D904-Y910 HydrophobicContact CB-CE1 4.09Å
905	L	85.5	Confident	89.1	Confident	26 Å²	26	36.4 Å²	36.4	14%	0.136	21%	0.21	C	C	.	.			trans	-92.9	-5.6	171.5	-63	174.3	0	0	0	112.4	R909 V911 V997 V1239 I1243 V1247	L905-R909 HydrophobicContact CB-CB 4.16Å; L905-R909 WeakPolarHBondContact CB-O 3.26Å; L905-R909 HydrophobicContact CD1-CB 4.24Å; L905-R909 PolarHBondContact N-O 2.92Å; L905-V911 HydrophobicContact CD1-CG2 3.64Å; L905-V911 HydrophobicContact CD2-CG2 3.81Å; L905-V911 HydrophobicContact CG-CG2 3.81Å; L905-V997 HydrophobicContact CD1-CG1 4.24Å; L905-V1239 HydrophobicContact CD2-CG1 3.59Å; L905-I1243 HydrophobicContact CD1-CG2 3.61Å; L905-I1243 HydrophobicContact CD2-CG2 3.98Å; L905-I1243 HydrophobicContact CG-CG2 4.48Å; L905-V1247 HydrophobicContact CB-CG2 4.22Å; L905-V1247 HydrophobicContact CD1-CG2 4.08Å
906	G	80.8	Confident	89.1	Confident	17 Å²	17	36.2 Å²	36.2	18%	0.175	21%	0.21	C	C	.	.	S	Bend	trans	74.1	163.3	-167.5	0	0	0	0	0	112.7	D904	D904-G906 WeakPolarHBondContact OD1-CA 3.45Å; D904-G906 PolarHBondContact OD1-N 3.07Å
907	S	74.2	Confident	89.2	Confident	68 Å²	68	33.8 Å²	33.8	48%	0.476	20%	0.201	S	C	.	.	S	Bend	trans	57.2	48.7	-177.9	-56.4	0	0	0	0	113.1	R909 K1251	S907-R909 PolarHBondContact O-N 3.28Å; S907-K1251 WeakPolarHBondContact OG-CE 3.26Å
908	N	81.6	Confident	89.3	Confident	33 Å²	33	31.7 Å²	31.7	18%	0.176	18%	0.176	C	C	.	.	S	Bend	trans	60.1	44.6	172.2	-62	5	0	0	0	113.5	S999 T1000 P1016	N908-S999 VanDerWaalsContact O-CA 3.22Å; N908-S999 WeakPolarHBondContact O-CA 3.36Å; N908-S999 WeakPolarHBondContact O-CB 3.37Å; N908-S999 PolarHBondContact O-OG 2.87Å; N908-T1000 WeakPolarHBondContact CB-OG1 3.31Å; N908-T1000 PolarHBondContact O-N 3.47Å; N908-P1016 PolarHBondContact ND2-O 2.96Å
909	R	87.7	Confident	89.2	Confident	88 Å²	88	32.7 Å²	32.7	33%	0.332	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	132.8	-178.1	-69.5	177.8	-177.6	-145.8	-3.8	110.1	D904 L905 S907 M998	D904-R909 VanDerWaalsContact OD1-O 3.1Å; L905-R909 HydrophobicContact CB-CB 4.16Å; L905-R909 WeakPolarHBondContact CB-O 3.26Å; L905-R909 HydrophobicContact CD1-CB 4.24Å; L905-R909 PolarHBondContact N-O 2.92Å; S907-R909 PolarHBondContact O-N 3.28Å; R909-M998 WeakPolarHBondContact CA-O 3.4Å
910	Y	90.3	Very high	89.1	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.008	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.2	-178.4	-51	-88.1	0	0	0	109.5	L868 L892 P893 I902 E903 D904 V997 M998 T1000	L868-Y910 HydrophobicContact CD1-CD2 3.91Å; L868-Y910 HydrophobicContact CD1-CE2 4.14Å; L892-Y910 HydrophobicContact CD2-CD1 4.33Å; L892-Y910 HydrophobicContact CD2-CE1 4.08Å; P893-Y910 VanDerWaalsContact CD-CE1 3.49Å; P893-Y910 HydrophobicContact CG-CD1 4.04Å; P893-Y910 HydrophobicContact CG-CD2 3.69Å; P893-Y910 HydrophobicContact CG-CE1 4.01Å; P893-Y910 HydrophobicContact CG-CE2 3.66Å; P893-Y910 HydrophobicContact CG-CG 3.88Å; I902-Y910 HydrophobicContact CG2-CD1 4.48Å; I902-Y910 HydrophobicContact CG2-CG 4.49Å; E903-Y910 CarbonylContact O-C 3.5Å; E903-Y910 WeakPolarHBondContact O-CA 3.45Å; D904-Y910 HydrophobicContact CB-CD1 4.02Å; D904-Y910 HydrophobicContact CB-CE1 4.09Å; Y910-V997 CarbonylContact O-C 3.59Å; Y910-V997 WeakPolarHBondContact O-CA 3.42Å; Y910-M998 PolarHBondContact N-O 3.14Å; Y910-M998 PolarHBondContact O-N 3.22Å; Y910-T1000 HydrophobicContact CE2-CG2 4.25Å
911	V	90.8	Very high	88.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125.5	163.9	-169.6	0	0	0	0	108.3	I902 E903 L905 Y913 Q995 V997 I1243	I902-V911 VanDerWaalsContact CA-O 3.3Å; I902-V911 WeakPolarHBondContact CA-O 3.14Å; E903-V911 PolarHBondContact N-O 3.04Å; E903-V911 PolarHBondContact O-N 3.38Å; L905-V911 HydrophobicContact CD1-CG2 3.64Å; L905-V911 HydrophobicContact CD2-CG2 3.81Å; L905-V911 HydrophobicContact CG-CG2 3.81Å; V911-Y913 HydrophobicContact CB-CD2 4.37Å; V911-Y913 HydrophobicContact CB-CE1 4.43Å; V911-Y913 HydrophobicContact CB-CE2 3.72Å; V911-Y913 HydrophobicContact CG1-CD1 3.97Å; V911-Y913 HydrophobicContact CG1-CD2 4.04Å; V911-Y913 HydrophobicContact CG1-CE1 3.58Å; V911-Y913 HydrophobicContact CG1-CE2 3.65Å; V911-Y913 HydrophobicContact CG1-CG 4.21Å; V911-Y913 VanDerWaalsContact CG1-CZ 3.45Å; V911-Q995 HydrophobicContact CG1-CB 4.13Å; V911-V997 HydrophobicContact CG2-CG2 4.42Å; V911-I1243 HydrophobicContact CG2-CG2 4.47Å
912	C	92.5	Very high	88.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.2	168.1	175.6	0	0	0	0	108.4	F898 I902 I931 Q995 T996 M998	F898-C912 WeakPolarHBondContact CZ-SG 3.39Å; I902-C912 HydrophobicContact CG1-CB 4.14Å; C912-I931 PolarHBondContact SG-N 2.89Å; C912-Q995 WeakPolarHBondContact O-CA 3.47Å; C912-T996 PolarHBondContact N-O 3.14Å; C912-T996 PolarHBondContact O-N 2.94Å; C912-M998 HydrophobicContact CB-CE 4.36Å
913	Y	93.2	Very high	88.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	142.3	178.6	-54.8	-92.2	0	0	0	111.1	F898 G900 T901 E903 V911 H989 L994 Q995 P1237 V1239	F898-Y913 WeakPolarHBondContact CZ-O 3.22Å; G900-Y913 WeakPolarHBondContact CA-O 3.46Å; T901-Y913 PolarHBondContact N-O 3.38Å; T901-Y913 PolarHBondContact O-N 3.08Å; T901-Y913 WeakPolarHBondContact OG1-CD2 3.43Å; E903-Y913 HydrophobicContact CB-CE2 4.23Å; E903-Y913 HydrophobicContact CG-CE2 3.89Å; E903-Y913 WeakPolarHBondContact OE2-CE2 3.5Å; E903-Y913 VanDerWaalsContact OE2-CZ 3.31Å; E903-Y913 PolarHBondContact OE2-OH 3.3Å; V911-Y913 HydrophobicContact CB-CD2 4.37Å; V911-Y913 HydrophobicContact CB-CE1 4.43Å; V911-Y913 HydrophobicContact CB-CE2 3.72Å; V911-Y913 HydrophobicContact CG1-CD1 3.97Å; V911-Y913 HydrophobicContact CG1-CD2 4.04Å; V911-Y913 HydrophobicContact CG1-CE1 3.58Å; V911-Y913 HydrophobicContact CG1-CE2 3.65Å; V911-Y913 HydrophobicContact CG1-CG 4.21Å; V911-Y913 VanDerWaalsContact CG1-CZ 3.45Å; Y913-H989 HydrophobicContact CD1-CB 4.32Å; Y913-L994 VanDerWaalsContact CA-O 3.3Å; Y913-L994 WeakPolarHBondContact CA-O 3.37Å; Y913-Q995 HydrophobicContact CD1-CB 3.78Å; Y913-Q995 HydrophobicContact CE1-CB 4.07Å; Y913-P1237 HydrophobicContact CD1-CB 3.44Å; Y913-P1237 VanDerWaalsContact CD1-CB 3.44Å; Y913-P1237 HydrophobicContact CD1-CG 4.32Å; Y913-P1237 HydrophobicContact CD2-CB 3.79Å; Y913-P1237 HydrophobicContact CD2-CG 3.87Å; Y913-P1237 HydrophobicContact CE1-CB 3.65Å; Y913-P1237 HydrophobicContact CE2-CB 3.98Å; Y913-P1237 HydrophobicContact CE2-CG 4.29Å; Y913-P1237 HydrophobicContact CG-CB 3.48Å; Y913-P1237 VanDerWaalsContact CG-CB 3.48Å; Y913-P1237 HydrophobicContact CG-CG 3.85Å; Y913-V1239 WeakPolarHBondContact OH-CA 3.38Å
914	G	92.5	Very high	88.9	Confident	2 Å²	2	33.8 Å²	33.8	2%	0.021	18%	0.182	C	C	.	.			trans	-76.7	174.5	162.6	0	0	0	0	0	111.4	E928 H989 L994	G914-E928 CarbonylContact C-O 3.48Å; G914-E928 WeakPolarHBondContact CA-O 3.48Å; G914-H989 PolarHBondContact O-CD2 3.17Å; G914-H989 PolarHBondContact O-NE2 3.42Å; G914-L994 PolarHBondContact N-O 2.9Å
915	E	93.2	Very high	89.1	Confident	52 Å²	52	30 Å²	30	24%	0.243	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.6	175.1	-71.3	-171.7	99.7	0	0	111.2	T899 I926 T927 E928	T899-E915 WeakPolarHBondContact CB-OE2 3.5Å; T899-E915 PolarHBondContact OG1-OE2 2.99Å; E915-I926 WeakPolarHBondContact O-CA 3.26Å; E915-T927 WeakPolarHBondContact CB-OG1 3.44Å; E915-T927 PolarHBondContact O-N 2.98Å; E915-T927 PolarHBondContact OE2-OG1 2.99Å; E915-E928 HydrophobicContact CB-CB 3.82Å; E915-E928 HydrophobicContact CG-CB 3.91Å; E915-E928 PolarHBondContact N-O 3.07Å
916	V	93.7	Very high	89.6	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	144.5	173.7	67.9	0	0	0	0	111.4	L924 E925 I926 L988 L994 I1235	V916-L924 HydrophobicContact CG2-CD1 4.03Å; V916-E925 CarbonylContact C-O 3.59Å; V916-E925 WeakPolarHBondContact CA-O 3.18Å; V916-E925 WeakPolarHBondContact CG2-O 3.36Å; V916-I926 HydrophobicContact CG2-CG1 4.2Å; V916-L988 HydrophobicContact CG1-CB 4.02Å; V916-L994 HydrophobicContact CB-CD1 3.83Å; V916-L994 HydrophobicContact CG1-CD1 4.41Å; V916-L994 HydrophobicContact CG2-CD1 4.34Å; V916-I1235 HydrophobicContact CG1-CB 4.04Å; V916-I1235 HydrophobicContact CG1-CG1 4.34Å; V916-I1235 PolarHBondContact O-N 3.05Å
917	A	92.7	Very high	90.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	144.1	176.8	0	0	0	0	0	111.9	L924 E925 R1233 R1234	A917-L924 CarbonylContact O-C 3.55Å; A917-L924 WeakPolarHBondContact O-CA 3.35Å; A917-L924 VanDerWaalsContact O-CB 3.22Å; A917-L924 WeakPolarHBondContact O-CB 3.22Å; A917-E925 HydrophobicContact CB-CG 3.88Å; A917-E925 PolarHBondContact N-O 3.45Å; A917-E925 PolarHBondContact O-N 3Å; A917-R1233 WeakPolarHBondContact CA-O 3.37Å; A917-R1234 HydrophobicContact CB-CG 4.43Å
918	V	91.3	Very high	91.1	Very high	13 Å²	13	25.2 Å²	25.2	8%	0.079	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.1	170.7	179.1	0	0	0	0	108.7	D920 L980 L988 R1233 I1235	V918-D920 VanDerWaalsContact CG1-O 3.31Å; V918-D920 WeakPolarHBondContact CG1-O 3.31Å; V918-L980 HydrophobicContact CG1-CD2 4.25Å; V918-L988 HydrophobicContact CG2-CD1 3.85Å; V918-R1233 PolarHBondContact N-O 3.45Å; V918-R1233 PolarHBondContact O-N 2.83Å; V918-I1235 HydrophobicContact CG2-CD1 4.2Å; V918-I1235 HydrophobicContact CG2-CG1 4.41Å
919	L	89.3	Confident	91.7	Very high	53 Å²	53	23.6 Å²	23.6	28%	0.277	12%	0.119	S	C	.	.			trans	-97.7	-44	-179.2	-59.9	177.6	0	0	0	111	T923 E925 V972 D1229	L919-T923 WeakPolarHBondContact CB-OG1 3.23Å; L919-T923 PolarHBondContact N-O 3.29Å; L919-E925 HydrophobicContact CD1-CB 4.3Å; L919-E925 HydrophobicContact CD1-CG 4.48Å; L919-E925 HydrophobicContact CD2-CG 3.98Å; L919-E925 HydrophobicContact CG-CG 4.3Å; L919-V972 HydrophobicContact CD1-CG1 4.06Å; L919-D1229 HydrophobicContact CD2-CB 3.6Å
920	D	87.9	Confident	92	Very high	77 Å²	77	19.4 Å²	19.4	41%	0.412	10%	0.103	S	C	.	.	S	Bend	trans	-155.4	-173.2	177.1	56.6	31.1	0	0	0	110.5	V918 D922 T923	V918-D920 VanDerWaalsContact CG1-O 3.31Å; V918-D920 WeakPolarHBondContact CG1-O 3.31Å; D920-D922 PolarHBondContact O-N 3.21Å; D920-D922 PolarHBondContact OD1-N 3.04Å; D920-T923 PolarHBondContact N-O 2.92Å; D920-T923 WeakPolarHBondContact OD1-CA 3.29Å; D920-T923 VanDerWaalsContact OD1-CB 3.29Å; D920-T923 WeakPolarHBondContact OD1-CB 3.43Å; D920-T923 WeakPolarHBondContact OD1-CG2 3.33Å; D920-T923 PolarHBondContact OD1-N 3.1Å; D920-T923 PolarHBondContact OD1-OG1 3.4Å; D920-T923 PolarHBondContact OD2-OG1 3.13Å
921	D	85.7	Confident	92.1	Very high	136 Å²	136	19.5 Å²	19.5	73%	0.727	10%	0.104	S	C	*	.	S	Bend	trans	-67.6	-9.9	-175.9	-68	-29.1	0	0	0	114.6	P977 L980	D921-P977 WeakPolarHBondContact O-CA 3.42Å; D921-P977 WeakPolarHBondContact O-CB 3.48Å; D921-P977 WeakPolarHBondContact O-CG 3.25Å; D921-L980 VanDerWaalsContact O-CD2 3.31Å; D921-L980 WeakPolarHBondContact O-CD2 3.46Å
922	D	90.2	Very high	92	Very high	53 Å²	53	23.3 Å²	23.3	28%	0.283	12%	0.118	S	C	.	.	S	Bend	trans	-126.2	-5.4	179.5	105.4	-81.2	0	0	0	114	D920 K974 M975 P977	D920-D922 PolarHBondContact O-N 3.21Å; D920-D922 PolarHBondContact OD1-N 3.04Å; D922-K974 WeakPolarHBondContact O-CA 2.95Å; D922-K974 IonicContact OD1-NZ 3.61Å; D922-K974 PolarHBondContact OD1-NZ 3.17Å; D922-K974 IonicContact OD2-NZ 3.59Å; D922-K974 PolarHBondContact OD2-NZ 3.13Å; D922-M975 WeakPolarHBondContact CB-O 3.23Å; D922-M975 PolarHBondContact O-N 2.91Å; D922-M975 VanDerWaalsContact O-O 3.11Å; D922-P977 HydrophobicContact CB-CG 4.19Å
923	T	91	Very high	91.9	Very high	9 Å²	9	25 Å²	25	6%	0.055	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	148.4	-176.3	73.2	0	0	0	0	116.3	L919 D920 I973 K974	L919-T923 WeakPolarHBondContact CB-OG1 3.23Å; L919-T923 PolarHBondContact N-O 3.29Å; D920-T923 PolarHBondContact N-O 2.92Å; D920-T923 WeakPolarHBondContact OD1-CA 3.29Å; D920-T923 VanDerWaalsContact OD1-CB 3.29Å; D920-T923 WeakPolarHBondContact OD1-CB 3.43Å; D920-T923 WeakPolarHBondContact OD1-CG2 3.33Å; D920-T923 PolarHBondContact OD1-N 3.1Å; D920-T923 PolarHBondContact OD1-OG1 3.4Å; D920-T923 PolarHBondContact OD2-OG1 3.13Å; T923-I973 VanDerWaalsContact CA-O 3.31Å; T923-I973 WeakPolarHBondContact CA-O 3.4Å; T923-K974 HydrophobicContact CG2-CB 4.43Å; T923-K974 HydrophobicContact CG2-CD 4.25Å; T923-K974 HydrophobicContact CG2-CG 3.75Å
924	L	93.6	Very high	92	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	159.4	175.7	63.7	89.9	0	0	0	110.5	V916 A917 I926 V972 I973 M975 L980 L988 F992	V916-L924 HydrophobicContact CG2-CD1 4.03Å; A917-L924 CarbonylContact O-C 3.55Å; A917-L924 WeakPolarHBondContact O-CA 3.35Å; A917-L924 VanDerWaalsContact O-CB 3.22Å; A917-L924 WeakPolarHBondContact O-CB 3.22Å; L924-I926 HydrophobicContact CD1-CG1 4.11Å; L924-V972 CarbonylContact O-C 3.44Å; L924-V972 WeakPolarHBondContact O-CA 3.14Å; L924-I973 HydrophobicContact CD1-CB 3.9Å; L924-I973 HydrophobicContact CD1-CD1 4.08Å; L924-I973 HydrophobicContact CD1-CG1 4.36Å; L924-I973 HydrophobicContact CG-CB 4.18Å; L924-I973 PolarHBondContact N-O 3.5Å; L924-I973 PolarHBondContact O-N 3.02Å; L924-M975 HydrophobicContact CD2-CG 4.47Å; L924-M975 HydrophobicContact CD2-SD 3.81Å; L924-L980 HydrophobicContact CD2-CD1 3.82Å; L924-L988 HydrophobicContact CD2-CD2 4.25Å; L924-F992 HydrophobicContact CD1-CE2 4.18Å; L924-F992 HydrophobicContact CD1-CZ 4.22Å; L924-F992 HydrophobicContact CD2-CD2 4.5Å; L924-F992 HydrophobicContact CD2-CE2 3.5Å; L924-F992 VanDerWaalsContact CD2-CE2 3.5Å; L924-F992 HydrophobicContact CD2-CZ 3.73Å
925	E	94.2	Very high	91.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.2	170.2	62.9	175.5	-179	0	0	112.1	V916 A917 L919 T927 R970 F971 V972 D1229 R1234	V916-E925 CarbonylContact C-O 3.59Å; V916-E925 WeakPolarHBondContact CA-O 3.18Å; V916-E925 WeakPolarHBondContact CG2-O 3.36Å; A917-E925 HydrophobicContact CB-CG 3.88Å; A917-E925 PolarHBondContact N-O 3.45Å; A917-E925 PolarHBondContact O-N 3Å; L919-E925 HydrophobicContact CD1-CB 4.3Å; L919-E925 HydrophobicContact CD1-CG 4.48Å; L919-E925 HydrophobicContact CD2-CG 3.98Å; L919-E925 HydrophobicContact CG-CG 4.3Å; E925-T927 HydrophobicContact CG-CG2 4.08Å; E925-R970 IonicContact OE2-CZ 3.93Å; E925-R970 IonicContact OE2-NE 2.71Å; E925-R970 PolarHBondContact OE2-NE 3.02Å; E925-R970 IonicContact OE2-NH2 3.42Å; E925-R970 PolarHBondContact OE2-NH2 3.03Å; E925-F971 CarbonylContact C-O 3.57Å; E925-F971 WeakPolarHBondContact CA-O 3.33Å; E925-V972 HydrophobicContact CB-CG2 4.18Å; E925-D1229 WeakPolarHBondContact OE1-CB 3.36Å; E925-D1229 PolarHBondContact OE1-N 2.71Å; E925-D1229 PolarHBondContact OE2-N 3.09Å; E925-R1234 IonicContact OE1-CZ 2.68Å; E925-R1234 IonicContact OE1-NH1 3.66Å; E925-R1234 PolarHBondContact OE1-NH1 3Å; E925-R1234 IonicContact OE1-NH2 3.26Å
926	I	94.2	Very high	91.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.8	168.5	-57.3	177	0	0	0	106.4	E915 V916 L924 L929 Y938 R970 F971 I973 F992 L994	E915-I926 WeakPolarHBondContact O-CA 3.26Å; V916-I926 HydrophobicContact CG2-CG1 4.2Å; L924-I926 HydrophobicContact CD1-CG1 4.11Å; I926-L929 HydrophobicContact CG2-CD2 3.98Å; I926-Y938 HydrophobicContact CD1-CE1 4.24Å; I926-Y938 WeakPolarHBondContact CD1-OH 3.25Å; I926-R970 WeakPolarHBondContact O-CA 3.44Å; I926-F971 HydrophobicContact CB-CB 4.4Å; I926-F971 PolarHBondContact N-O 3.1Å; I926-F971 PolarHBondContact O-N 3.37Å; I926-I973 HydrophobicContact CD1-CD1 3.55Å; I926-I973 HydrophobicContact CG1-CD1 4.17Å; I926-F992 HydrophobicContact CD1-CB 4.24Å; I926-F992 HydrophobicContact CD1-CD1 4.14Å; I926-F992 HydrophobicContact CD1-CG 4.23Å; I926-L994 HydrophobicContact CD1-CD1 4Å; I926-L994 HydrophobicContact CD1-CD2 4.34Å; I926-L994 HydrophobicContact CG1-CD1 3.98Å; I926-L994 HydrophobicContact CG2-CD1 3.87Å; I926-L994 HydrophobicContact CG2-CD2 3.76Å; I926-L994 HydrophobicContact CG2-CG 4.48Å
927	T	93.6	Very high	91.7	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.043	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	-13.4	-175.3	54.3	0	0	0	0	113.1	E915 E925 V969 P1228	E915-T927 WeakPolarHBondContact CB-OG1 3.44Å; E915-T927 PolarHBondContact O-N 2.98Å; E915-T927 PolarHBondContact OE2-OG1 2.99Å; E925-T927 HydrophobicContact CG-CG2 4.08Å; T927-V969 CarbonylContact C-O 3.58Å; T927-V969 WeakPolarHBondContact CA-O 3.35Å; T927-P1228 HydrophobicContact CG2-CB 3.78Å; T927-P1228 HydrophobicContact CG2-CG 3.89Å
928	E	94.1	Very high	91.8	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	145.9	175.1	-178.1	57.2	-57.5	0	0	111.7	R796 F898 T899 G914 E915	R796-E928 IonicContact CZ-OE1 3.45Å; R796-E928 IonicContact CZ-OE2 2.98Å; R796-E928 VanDerWaalsContact CZ-OE2 3.3Å; R796-E928 IonicContact NE-OE1 3.81Å; R796-E928 VanDerWaalsContact NH1-CD 3.27Å; R796-E928 IonicContact NH1-OE1 3.94Å; R796-E928 PolarHBondContact NH1-OE1 2.92Å; R796-E928 IonicContact NH1-OE2 3.77Å; R796-E928 PolarHBondContact NH1-OE2 3.04Å; R796-E928 IonicContact NH2-OE1 2.78Å; R796-E928 PolarHBondContact NH2-OE1 3.04Å; R796-E928 IonicContact NH2-OE2 2.74Å; R796-E928 PolarHBondContact NH2-OE2 2.92Å; F898-E928 HydrophobicContact CD2-CG 4.03Å; F898-E928 WeakPolarHBondContact CD2-OE2 3.12Å; F898-E928 HydrophobicContact CE2-CG 3.65Å; F898-E928 HydrophobicContact CZ-CG 4.39Å; T899-E928 PolarHBondContact N-OE2 3.5Å; T899-E928 WeakPolarHBondContact OG1-CB 3.4Å; T899-E928 WeakPolarHBondContact OG1-CG 3.5Å; G914-E928 CarbonylContact C-O 3.48Å; G914-E928 WeakPolarHBondContact CA-O 3.48Å; E915-E928 HydrophobicContact CB-CB 3.82Å; E915-E928 HydrophobicContact CG-CB 3.91Å; E915-E928 PolarHBondContact N-O 3.07Å
929	L	94.1	Very high	91.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.			trans	-110.8	145	175.6	-61.6	177.2	0	0	0	110.4	R796 F898 I926 V933 Y938 V969 F971 L994	R796-L929 PolarHBondContact NH2-O 2.93Å; F898-L929 WeakPolarHBondContact CE2-O 3.38Å; I926-L929 HydrophobicContact CG2-CD2 3.98Å; L929-V933 HydrophobicContact CB-CB 4.36Å; L929-V933 HydrophobicContact CB-CG1 4.44Å; L929-V933 HydrophobicContact CD1-CG1 4.49Å; L929-Y938 HydrophobicContact CD1-CD1 4.22Å; L929-Y938 HydrophobicContact CD1-CG 3.97Å; L929-Y938 HydrophobicContact CD2-CD1 3.75Å; L929-Y938 HydrophobicContact CD2-CD2 3.93Å; L929-Y938 HydrophobicContact CD2-CE1 3.83Å; L929-Y938 HydrophobicContact CD2-CE2 4.02Å; L929-Y938 HydrophobicContact CD2-CG 3.8Å; L929-V969 HydrophobicContact CD1-CG1 4.34Å; L929-V969 HydrophobicContact CD1-CG2 4.29Å; L929-V969 HydrophobicContact CG-CG1 4.11Å; L929-V969 HydrophobicContact CG-CG2 4.23Å; L929-F971 HydrophobicContact CD1-CE2 4.44Å; L929-L994 HydrophobicContact CD2-CD2 3.63Å
930	P	93.1	Very high	92	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.174	C	C	.	.			trans	-52	150.2	175.3	-24.8	32.6	0	0	0	113.3	R932 V933 L994	P930-R932 PolarHBondContact O-N 2.89Å; P930-V933 HydrophobicContact CB-CG2 4Å; P930-V933 HydrophobicContact CG-CG2 4.44Å; P930-V933 VanDerWaalsContact O-CB 3.24Å; P930-V933 WeakPolarHBondContact O-CB 3.31Å; P930-V933 PolarHBondContact O-N 3.06Å; P930-L994 VanDerWaalsContact CG-C 3.46Å
931	I	92.5	Very high	92	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	136.9	178.5	-67.2	-66.4	0	0	0	111.2	V779 F895 F898 C912 V933 M998	V779-I931 HydrophobicContact CG1-CD1 4.03Å; F895-I931 HydrophobicContact CB-CD1 3.68Å; F895-I931 HydrophobicContact CB-CG1 4.41Å; F895-I931 HydrophobicContact CD1-CD1 4.19Å; F895-I931 HydrophobicContact CD1-CG2 4.12Å; F895-I931 HydrophobicContact CD2-CD1 3.9Å; F895-I931 HydrophobicContact CD2-CG1 3.67Å; F895-I931 HydrophobicContact CD2-CG2 4.35Å; F895-I931 HydrophobicContact CE1-CG2 3.85Å; F895-I931 HydrophobicContact CE2-CG1 4.07Å; F895-I931 HydrophobicContact CE2-CG2 4.13Å; F895-I931 HydrophobicContact CG-CD1 3.64Å; F895-I931 HydrophobicContact CG-CG1 3.94Å; F895-I931 HydrophobicContact CG-CG2 4.35Å; F895-I931 HydrophobicContact CZ-CG2 3.87Å; F898-I931 HydrophobicContact CB-CD1 4.15Å; F898-I931 HydrophobicContact CD1-CD1 4.47Å; F898-I931 HydrophobicContact CD1-CG1 4.43Å; F898-I931 HydrophobicContact CD2-CD1 3.49Å; F898-I931 VanDerWaalsContact CD2-CD1 3.49Å; F898-I931 HydrophobicContact CD2-CG1 3.95Å; F898-I931 HydrophobicContact CE1-CG1 4.41Å; F898-I931 HydrophobicContact CE2-CD1 3.97Å; F898-I931 HydrophobicContact CE2-CG1 3.95Å; F898-I931 HydrophobicContact CG-CD1 3.79Å; F898-I931 HydrophobicContact CG-CG1 4.21Å; F898-I931 HydrophobicContact CZ-CG1 4.18Å; C912-I931 PolarHBondContact SG-N 2.89Å; I931-V933 PolarHBondContact O-N 3.31Å; I931-M998 HydrophobicContact CB-SD 4.49Å; I931-M998 HydrophobicContact CG2-SD 4.35Å
932	R	88.7	Confident	92.3	Very high	80 Å²	80	28.7 Å²	28.7	30%	0.302	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	8	-172.3	-59.5	168.8	-174	-160.3	-7.1	115.8	D857 H866 P930 W934	D857-R932 VanDerWaalsContact CG-NH1 3.31Å; D857-R932 IonicContact OD1-CZ 3.28Å; D857-R932 IonicContact OD1-NH1 2.77Å; D857-R932 PolarHBondContact OD1-NH1 3.17Å; D857-R932 IonicContact OD1-NH2 2.6Å; D857-R932 IonicContact OD2-CZ 3.51Å; D857-R932 VanDerWaalsContact OD2-CZ 3.27Å; D857-R932 IonicContact OD2-NH1 2.72Å; D857-R932 PolarHBondContact OD2-NH1 2.95Å; D857-R932 IonicContact OD2-NH2 2.95Å; D857-R932 PolarHBondContact OD2-NH2 3.05Å; H866-R932 PolarHBondContact NE2-NH1 2.86Å; P930-R932 PolarHBondContact O-N 2.89Å; R932-W934 HydrophobicContact CB-CH2 4.44Å; R932-W934 HydrophobicContact CB-CZ2 4.13Å; R932-W934 HydrophobicContact CG-CH2 4.27Å; R932-W934 HydrophobicContact CG-CZ2 4.17Å
933	V	92.1	Very high	92.3	Very high	36 Å²	36	26.2 Å²	26.2	22%	0.218	13%	0.131	C	C	.	.			trans	-96.7	98.7	167.9	-175.5	0	0	0	0	109.7	L929 P930 I931 Y938	L929-V933 HydrophobicContact CB-CB 4.36Å; L929-V933 HydrophobicContact CB-CG1 4.44Å; L929-V933 HydrophobicContact CD1-CG1 4.49Å; P930-V933 HydrophobicContact CB-CG2 4Å; P930-V933 HydrophobicContact CG-CG2 4.44Å; P930-V933 VanDerWaalsContact O-CB 3.24Å; P930-V933 WeakPolarHBondContact O-CB 3.31Å; P930-V933 PolarHBondContact O-N 3.06Å; I931-V933 PolarHBondContact O-N 3.31Å; V933-Y938 HydrophobicContact CG1-CD2 3.76Å; V933-Y938 HydrophobicContact CG1-CG 4.3Å
934	W	93.3	Very high	92.3	Very high	43 Å²	43	29.1 Å²	29.1	16%	0.163	14%	0.144	C	C	.	.			trans	-79.9	145.2	-175.3	-42.4	123.4	0	0	0	112.9	F778 G799 R932 Q936 N937 Y938	F778-W934 HydrophobicContact CD2-CZ3 4.35Å; F778-W934 AromaticContact CE2-CH2 3.9Å; F778-W934 HydrophobicContact CE2-CH2 3.9Å; F778-W934 AromaticContact CE2-CZ3 3.8Å; F778-W934 HydrophobicContact CE2-CZ3 3.8Å; G799-W934 VanDerWaalsContact CA-CE2 3.49Å; R932-W934 HydrophobicContact CB-CH2 4.44Å; R932-W934 HydrophobicContact CB-CZ2 4.13Å; R932-W934 HydrophobicContact CG-CH2 4.27Å; R932-W934 HydrophobicContact CG-CZ2 4.17Å; W934-Q936 PolarHBondContact O-N 3.46Å; W934-N937 HydrophobicContact CB-CB 4.49Å; W934-N937 PolarHBondContact O-N 2.81Å; W934-Y938 WeakPolarHBondContact O-CB 3.36Å; W934-Y938 PolarHBondContact O-N 2.94Å
935	T	92.2	Very high	92.1	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.018	16%	0.155	C	C	.	.	H	α-helix	trans	-56.7	-45.4	-169.8	-44	0	0	0	0	113.6	L797 Y938 K939 H964 F971	L797-T935 HydrophobicContact CD2-CG2 4.06Å; L797-T935 PolarHBondContact O-N 2.88Å; T935-Y938 PolarHBondContact O-N 2.67Å; T935-K939 PolarHBondContact O-N 3.41Å; T935-K939 VanDerWaalsContact O-N 3.14Å; T935-H964 HydrophobicContact CG2-CB 4.17Å; T935-F971 HydrophobicContact CG2-CE2 3.93Å; T935-F971 HydrophobicContact CG2-CZ 3.61Å
936	Q	90.9	Very high	91.9	Very high	70 Å²	70	31.4 Å²	31.4	33%	0.327	16%	0.158	S	C	.	.	H	α-helix	trans	-69.3	-45.9	180	-175.7	62.4	22.9	0	0	111.4	L797 W934 Y938 K939 E940	L797-Q936 WeakPolarHBondContact O-CB 3.47Å; L797-Q936 PolarHBondContact O-N 3.32Å; W934-Q936 PolarHBondContact O-N 3.46Å; Q936-Y938 VanDerWaalsContact C-N 3.27Å; Q936-Y938 PolarHBondContact O-N 3.34Å; Q936-K939 WeakPolarHBondContact O-CB 3.19Å; Q936-K939 PolarHBondContact O-N 3.06Å; Q936-E940 PolarHBondContact NE2-OE1 3.18Å; Q936-E940 PolarHBondContact O-N 3.19Å; Q936-E940 VanDerWaalsContact O-N 3.1Å
937	N	91.8	Very high	91.7	Very high	81 Å²	81	34 Å²	34	43%	0.433	17%	0.172	S	C	.	.	H	α-helix	trans	-60.6	-36.7	176.5	-71.1	16.7	0	0	0	111.9	W934 S941	W934-N937 HydrophobicContact CB-CB 4.49Å; W934-N937 PolarHBondContact O-N 2.81Å; N937-S941 VanDerWaalsContact O-CB 3.26Å; N937-S941 WeakPolarHBondContact O-CB 3.42Å; N937-S941 PolarHBondContact O-N 2.91Å; N937-S941 PolarHBondContact O-OG 2.82Å
938	Y	93.9	Very high	91.4	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-66.7	-42.7	177.8	-177.3	-98.8	0	0	0	111.9	I926 L929 V933 W934 T935 Q936 V942 L943 F971 F992 L994	I926-Y938 HydrophobicContact CD1-CE1 4.24Å; I926-Y938 WeakPolarHBondContact CD1-OH 3.25Å; L929-Y938 HydrophobicContact CD1-CD1 4.22Å; L929-Y938 HydrophobicContact CD1-CG 3.97Å; L929-Y938 HydrophobicContact CD2-CD1 3.75Å; L929-Y938 HydrophobicContact CD2-CD2 3.93Å; L929-Y938 HydrophobicContact CD2-CE1 3.83Å; L929-Y938 HydrophobicContact CD2-CE2 4.02Å; L929-Y938 HydrophobicContact CD2-CG 3.8Å; V933-Y938 HydrophobicContact CG1-CD2 3.76Å; V933-Y938 HydrophobicContact CG1-CG 4.3Å; W934-Y938 WeakPolarHBondContact O-CB 3.36Å; W934-Y938 PolarHBondContact O-N 2.94Å; T935-Y938 PolarHBondContact O-N 2.67Å; Q936-Y938 VanDerWaalsContact C-N 3.27Å; Q936-Y938 PolarHBondContact O-N 3.34Å; Y938-V942 HydrophobicContact CD2-CB 4.06Å; Y938-V942 HydrophobicContact CD2-CG2 3.57Å; Y938-V942 HydrophobicContact CE2-CB 3.86Å; Y938-V942 HydrophobicContact CE2-CG1 3.92Å; Y938-V942 HydrophobicContact CE2-CG2 3.66Å; Y938-V942 HydrophobicContact CG-CB 4.49Å; Y938-V942 HydrophobicContact CG-CG2 4.27Å; Y938-V942 WeakPolarHBondContact O-CA 3.39Å; Y938-V942 WeakPolarHBondContact O-CB 3.3Å; Y938-V942 WeakPolarHBondContact O-CG2 3.27Å; Y938-V942 PolarHBondContact O-N 3.32Å; Y938-L943 HydrophobicContact CD1-CD1 4.19Å; Y938-L943 HydrophobicContact CD1-CG 4.13Å; Y938-L943 HydrophobicContact CE1-CD1 3.99Å; Y938-L943 HydrophobicContact CE1-CD2 3.87Å; Y938-L943 HydrophobicContact CE1-CG 3.77Å; Y938-L943 PolarHBondContact O-N 2.82Å; Y938-F971 HydrophobicContact CD1-CD2 4.45Å; Y938-F971 AromaticContact CD1-CE2 3.9Å; Y938-F971 HydrophobicContact CD1-CE2 3.9Å; Y938-F971 HydrophobicContact CD1-CZ 4.34Å; Y938-F971 HydrophobicContact CE1-CD2 4.49Å; Y938-F971 HydrophobicContact CE1-CE2 4.38Å; Y938-F992 WeakPolarHBondContact CE2-O 3.37Å; Y938-F992 PolarHBondContact OH-O 3.03Å; Y938-L994 HydrophobicContact CE2-CD2 4.06Å
939	K	92.6	Very high	90.7	Very high	33 Å²	33	40.7 Å²	40.7	14%	0.143	21%	0.213	C	C	.	.	I	π-helix	trans	-55.8	-55.7	173.1	-179.9	-174.8	-176.9	166	0	111.5	T935 Q936 L943 E944 Y960 E962	T935-K939 PolarHBondContact O-N 3.41Å; T935-K939 VanDerWaalsContact O-N 3.14Å; Q936-K939 WeakPolarHBondContact O-CB 3.19Å; Q936-K939 PolarHBondContact O-N 3.06Å; K939-L943 PolarHBondContact O-N 2.91Å; K939-L943 VanDerWaalsContact O-N 3.15Å; K939-E944 HydrophobicContact CG-CG 4.41Å; K939-E944 PolarHBondContact O-N 2.9Å; K939-Y960 WeakPolarHBondContact CE-OH 3.31Å; K939-Y960 HydrophobicContact CG-CE2 4.4Å; K939-Y960 WeakPolarHBondContact CG-OH 3.5Å; K939-E962 WeakPolarHBondContact CD-OE2 3.49Å; K939-E962 WeakPolarHBondContact CE-OE1 3.45Å; K939-E962 WeakPolarHBondContact CE-OE2 3.23Å; K939-E962 IonicContact NZ-OE1 3.31Å; K939-E962 PolarHBondContact NZ-OE1 3.23Å; K939-E962 IonicContact NZ-OE2 3.8Å; K939-E962 PolarHBondContact NZ-OE2 2.81Å
940	E	91.3	Very high	89.9	Confident	103 Å²	103	43.9 Å²	43.9	48%	0.481	24%	0.236	S	C	.	.	I	π-helix	trans	-67.2	-37.4	-176.1	-67	175.4	-168.4	0	0	113.5	Q936 P945	Q936-E940 PolarHBondContact NE2-OE1 3.18Å; Q936-E940 PolarHBondContact O-N 3.19Å; Q936-E940 VanDerWaalsContact O-N 3.1Å; E940-P945 VanDerWaalsContact O-CD 3.3Å; E940-P945 WeakPolarHBondContact O-CD 3.25Å
941	S	89.4	Confident	88.8	Confident	70 Å²	70	51.1 Å²	51.1	49%	0.49	27%	0.269	S	S	.	.	I	π-helix	trans	-100.2	-6.3	-173.1	72.1	0	0	0	0	115.4	N937 K993	N937-S941 VanDerWaalsContact O-CB 3.26Å; N937-S941 WeakPolarHBondContact O-CB 3.42Å; N937-S941 PolarHBondContact O-N 2.91Å; N937-S941 PolarHBondContact O-OG 2.82Å; S941-K993 PolarHBondContact O-NZ 2.91Å
942	V	90.6	Very high	87.9	Confident	6 Å²	6	58 Å²	58	4%	0.036	30%	0.299	C	S	.	.	I	π-helix	trans	-129.9	-59.3	-179.4	-165	0	0	0	0	111.8	Y938 M946 K993	Y938-V942 HydrophobicContact CD2-CB 4.06Å; Y938-V942 HydrophobicContact CD2-CG2 3.57Å; Y938-V942 HydrophobicContact CE2-CB 3.86Å; Y938-V942 HydrophobicContact CE2-CG1 3.92Å; Y938-V942 HydrophobicContact CE2-CG2 3.66Å; Y938-V942 HydrophobicContact CG-CB 4.49Å; Y938-V942 HydrophobicContact CG-CG2 4.27Å; Y938-V942 WeakPolarHBondContact O-CA 3.39Å; Y938-V942 WeakPolarHBondContact O-CB 3.3Å; Y938-V942 WeakPolarHBondContact O-CG2 3.27Å; Y938-V942 PolarHBondContact O-N 3.32Å; V942-M946 HydrophobicContact CG1-CE 3.74Å; V942-M946 HydrophobicContact CG1-SD 3.99Å; V942-M946 WeakPolarHBondContact O-CB 3.48Å; V942-M946 WeakPolarHBondContact O-CG 3.35Å; V942-M946 PolarHBondContact O-N 3.02Å; V942-K993 HydrophobicContact CB-CD 4.5Å; V942-K993 HydrophobicContact CG1-CD 3.89Å; V942-K993 HydrophobicContact CG1-CG 4.18Å; V942-K993 HydrophobicContact CG2-CD 3.86Å
943	L	91.4	Very high	87.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.298	C	S	.	.	I	π-helix	trans	-74.2	-46.5	-171.7	-59.7	-177.7	0	0	0	113	Y938 K939 M946 L947 I957 Y960 F971 I973	Y938-L943 HydrophobicContact CD1-CD1 4.19Å; Y938-L943 HydrophobicContact CD1-CG 4.13Å; Y938-L943 HydrophobicContact CE1-CD1 3.99Å; Y938-L943 HydrophobicContact CE1-CD2 3.87Å; Y938-L943 HydrophobicContact CE1-CG 3.77Å; Y938-L943 PolarHBondContact O-N 2.82Å; K939-L943 PolarHBondContact O-N 2.91Å; K939-L943 VanDerWaalsContact O-N 3.15Å; L943-M946 CarbonylContact O-C 3.21Å; L943-M946 PolarHBondContact O-N 2.95Å; L943-M946 VanDerWaalsContact O-N 3.12Å; L943-L947 PolarHBondContact O-N 3.46Å; L943-I957 HydrophobicContact CD2-CD1 4.5Å; L943-Y960 HydrophobicContact CB-CD1 4.33Å; L943-Y960 HydrophobicContact CB-CE1 4.06Å; L943-Y960 HydrophobicContact CD1-CD2 4.23Å; L943-Y960 HydrophobicContact CD1-CE2 4.37Å; L943-Y960 HydrophobicContact CD1-CG 4.49Å; L943-F971 HydrophobicContact CD1-CB 4.43Å; L943-F971 HydrophobicContact CD1-CD1 3.57Å; L943-F971 HydrophobicContact CD1-CD2 4.3Å; L943-F971 HydrophobicContact CD1-CE1 3.74Å; L943-F971 HydrophobicContact CD1-CE2 4.44Å; L943-F971 HydrophobicContact CD1-CG 3.86Å; L943-F971 HydrophobicContact CD1-CZ 4.17Å; L943-I973 HydrophobicContact CD2-CD1 3.66Å
944	E	90.4	Very high	86.6	Confident	71 Å²	71	59 Å²	59	33%	0.332	32%	0.316	S	S	.	.	H	α-helix	trans	-62.9	-41.8	178.9	-69.4	-174.9	-176.4	0	0	113.3	K939 M946 L947 N948	K939-E944 HydrophobicContact CG-CG 4.41Å; K939-E944 PolarHBondContact O-N 2.9Å; E944-M946 VanDerWaalsContact C-N 3.31Å; E944-M946 PolarHBondContact O-N 2.97Å; E944-L947 PolarHBondContact O-N 3.22Å; E944-N948 WeakPolarHBondContact O-CB 3.44Å; E944-N948 PolarHBondContact O-N 3.34Å; E944-N948 PolarHBondContact O-ND2 2.95Å
945	P	89.4	Confident	86.3	Confident	34 Å²	34	59.7 Å²	59.7	22%	0.221	33%	0.331	C	S	.	.	H	α-helix	trans	-63.9	-30.4	170.6	-25.8	35.7	0	0	0	114.4	E940 G949	E940-P945 VanDerWaalsContact O-CD 3.3Å; E940-P945 WeakPolarHBondContact O-CD 3.25Å; P945-G949 VanDerWaalsContact O-CA 3.23Å; P945-G949 WeakPolarHBondContact O-CA 3.41Å; P945-G949 PolarHBondContact O-N 3.39Å
946	M	90.4	Very high	85.9	Confident	14 Å²	14	60.3 Å²	60.3	7%	0.069	34%	0.335	C	S	.	.	H	α-helix	trans	-77.8	-23.6	175.3	-75.1	176.1	179.8	0	0	113.3	V942 L943 E944 V953 A955 C956 I957 F991 F992	V942-M946 HydrophobicContact CG1-CE 3.74Å; V942-M946 HydrophobicContact CG1-SD 3.99Å; V942-M946 WeakPolarHBondContact O-CB 3.48Å; V942-M946 WeakPolarHBondContact O-CG 3.35Å; V942-M946 PolarHBondContact O-N 3.02Å; L943-M946 CarbonylContact O-C 3.21Å; L943-M946 PolarHBondContact O-N 2.95Å; L943-M946 VanDerWaalsContact O-N 3.12Å; E944-M946 VanDerWaalsContact C-N 3.31Å; E944-M946 PolarHBondContact O-N 2.97Å; M946-V953 HydrophobicContact CG-CG1 4.27Å; M946-A955 CarbonylContact O-C 3.58Å; M946-A955 WeakPolarHBondContact O-CA 3.46Å; M946-C956 PolarHBondContact O-N 3.13Å; M946-I957 HydrophobicContact CB-CD1 4.21Å; M946-I957 HydrophobicContact CB-CG1 4.07Å; M946-I957 PolarHBondContact O-N 3.49Å; M946-F991 VanDerWaalsContact CE-O 3.26Å; M946-F991 WeakPolarHBondContact CE-O 3.34Å; M946-F992 HydrophobicContact SD-CD1 4.2Å; M946-F992 HydrophobicContact SD-CE1 4.33Å
947	L	90	Very high	85.9	Confident	55 Å²	55	57.3 Å²	57.3	29%	0.288	32%	0.321	S	S	.	.	H	α-helix	trans	-84.5	-52.7	176.2	-178.7	65.2	0	0	0	111.4	L943 E944 I957 Y960	L943-L947 PolarHBondContact O-N 3.46Å; E944-L947 PolarHBondContact O-N 3.22Å; L947-I957 HydrophobicContact CB-CD1 4.11Å; L947-I957 HydrophobicContact CB-CG1 3.91Å; L947-I957 HydrophobicContact CD1-CG1 4.18Å; L947-Y960 HydrophobicContact CD2-CD1 4.14Å; L947-Y960 HydrophobicContact CD2-CE1 3.85Å
948	N	87.9	Confident	85.7	Confident	123 Å²	123	57.8 Å²	57.8	66%	0.658	33%	0.327	S	S	*	.	H	α-helix	trans	-84	-24.3	-173.6	-62.6	-45.4	0	0	0	113.2	E944	E944-N948 WeakPolarHBondContact O-CB 3.44Å; E944-N948 PolarHBondContact O-N 3.34Å; E944-N948 PolarHBondContact O-ND2 2.95Å
949	G	79.3	Confident	85.6	Confident	26 Å²	26	60.7 Å²	60.7	27%	0.268	34%	0.343	S	S	.	.			trans	76.8	165.8	-166.8	0	0	0	0	0	113.4	P945 V953	P945-G949 VanDerWaalsContact O-CA 3.23Å; P945-G949 WeakPolarHBondContact O-CA 3.41Å; P945-G949 PolarHBondContact O-N 3.39Å; G949-V953 CarbonylContact C-O 3.59Å; G949-V953 WeakPolarHBondContact CA-O 3.33Å
950	S	76.9	Confident	85.6	Confident	68 Å²	68	60.5 Å²	60.5	48%	0.476	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-158.7	170.4	174.9	62.3	0	0	0	0	110	K952 V953	S950-K952 PolarHBondContact O-N 2.74Å; S950-V953 PolarHBondContact N-O 2.84Å; S950-V953 PolarHBondContact O-N 3.09Å; S950-V953 VanDerWaalsContact O-O 3.1Å; S950-V953 PolarHBondContact OG-N 3.11Å
951	E	70.7	Confident	85.6	Confident	151 Å²	151	59.9 Å²	59.9	71%	0.706	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	-26.7	174.1	-62.7	173.8	175	0	0	114.1
952	K	73.2	Confident	85.7	Confident	149 Å²	149	60.2 Å²	60.2	65%	0.648	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	-12.5	-172.7	-60.1	-176.6	-175.3	178.1	0	114.9	S950	S950-K952 PolarHBondContact O-N 2.74Å
953	V	73.2	Confident	85.7	Confident	46 Å²	46	63 Å²	63	28%	0.279	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-139.1	113.1	-175.1	-176.5	0	0	0	0	107.8	M946 G949 S950	M946-V953 HydrophobicContact CG-CG1 4.27Å; G949-V953 CarbonylContact C-O 3.59Å; G949-V953 WeakPolarHBondContact CA-O 3.33Å; S950-V953 PolarHBondContact N-O 2.84Å; S950-V953 PolarHBondContact O-N 3.09Å; S950-V953 VanDerWaalsContact O-O 3.1Å; S950-V953 PolarHBondContact OG-N 3.11Å
954	P	80	Confident	85.5	Confident	90 Å²	90	65.2 Å²	65.2	58%	0.584	35%	0.352	S	S	*	.			trans	-68.3	155.5	174.5	30.1	-34.5	0	0	0	110.7	C956	P954-C956 PolarHBondContact O-N 3.31Å
955	A	85.8	Confident	85.2	Confident	59 Å²	59	63.9 Å²	63.9	49%	0.488	35%	0.348	S	S	.	.			trans	-64.2	126.2	170.7	0	0	0	0	0	110.2	M946	M946-A955 CarbonylContact O-C 3.58Å; M946-A955 WeakPolarHBondContact O-CA 3.46Å
956	C	85.4	Confident	84.8	Confident	16 Å²	16	66.8 Å²	66.8	11%	0.108	36%	0.362	C	S	.	.			trans	-130.1	-20.1	-172.8	-77.8	0	0	0	0	113.8	M946 P954 F991	M946-C956 PolarHBondContact O-N 3.13Å; P954-C956 PolarHBondContact O-N 3.31Å; C956-F991 HydrophobicContact CB-CE1 4.38Å; C956-F991 HydrophobicContact CB-CZ 3.95Å
957	I	89.4	Confident	84.4	Confident	7 Å²	7	70 Å²	70	4%	0.036	38%	0.382	C	S	.	.			trans	-112.9	152.5	174.2	64.9	175.2	0	0	0	109.9	L943 M946 L947 Y960 I973 M975 F992	L943-I957 HydrophobicContact CD2-CD1 4.5Å; M946-I957 HydrophobicContact CB-CD1 4.21Å; M946-I957 HydrophobicContact CB-CG1 4.07Å; M946-I957 PolarHBondContact O-N 3.49Å; L947-I957 HydrophobicContact CB-CD1 4.11Å; L947-I957 HydrophobicContact CB-CG1 3.91Å; L947-I957 HydrophobicContact CD1-CG1 4.18Å; I957-Y960 HydrophobicContact CD1-CD1 3.83Å; I957-I973 HydrophobicContact CB-CG2 3.93Å; I957-I973 HydrophobicContact CD1-CG2 4.35Å; I957-I973 HydrophobicContact CG2-CG2 3.48Å; I957-I973 VanDerWaalsContact CG2-CG2 3.48Å; I957-M975 HydrophobicContact CG2-CE 4.11Å; I957-F992 HydrophobicContact CG2-CE1 4.1Å; I957-F992 HydrophobicContact CG2-CZ 4.37Å
958	T	88.6	Confident	84.2	Confident	90 Å²	90	69.9 Å²	69.9	55%	0.552	38%	0.384	S	S	*	.	S	Bend	trans	-103.9	-30.3	-175.4	52.7	0	0	0	0	113.3	K974	T958-K974 PolarHBondContact N-O 2.89Å; T958-K974 VanDerWaalsContact OG1-C 3.3Å; T958-K974 WeakPolarHBondContact OG1-CB 3.43Å; T958-K974 PolarHBondContact OG1-O 3.4Å
959	D	91.4	Very high	84.3	Confident	64 Å²	64	64.3 Å²	64.3	34%	0.342	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	157	177.8	-179.5	33.2	0	0	0	108.3	K961 K974	D959-K961 WeakPolarHBondContact OD2-CE 3.44Å; D959-K974 HydrophobicContact CB-CB 4.17Å; D959-K974 HydrophobicContact CB-CD 4.43Å; D959-K974 HydrophobicContact CB-CG 4.27Å; D959-K974 PolarHBondContact O-N 2.93Å
960	Y	92.5	Very high	85	Confident	29 Å²	29	63.8 Å²	63.8	11%	0.114	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	148.9	164.6	71	-95.1	0	0	0	111.5	K939 L943 L947 I957 E962 F971 V972	K939-Y960 WeakPolarHBondContact CE-OH 3.31Å; K939-Y960 HydrophobicContact CG-CE2 4.4Å; K939-Y960 WeakPolarHBondContact CG-OH 3.5Å; L943-Y960 HydrophobicContact CB-CD1 4.33Å; L943-Y960 HydrophobicContact CB-CE1 4.06Å; L943-Y960 HydrophobicContact CD1-CD2 4.23Å; L943-Y960 HydrophobicContact CD1-CE2 4.37Å; L943-Y960 HydrophobicContact CD1-CG 4.49Å; L947-Y960 HydrophobicContact CD2-CD1 4.14Å; L947-Y960 HydrophobicContact CD2-CE1 3.85Å; I957-Y960 HydrophobicContact CD1-CD1 3.83Å; Y960-E962 HydrophobicContact CD2-CG 4.06Å; Y960-E962 HydrophobicContact CE2-CG 3.87Å; Y960-F971 HydrophobicContact CD2-CD1 4.41Å; Y960-V972 CarbonylContact C-O 3.54Å; Y960-V972 WeakPolarHBondContact CA-O 3.29Å
961	K	92.1	Very high	85.8	Confident	90 Å²	90	60.5 Å²	60.5	39%	0.391	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.9	-178.2	-62	178	-174.3	172.3	0	110.6	D959 Y963 F971 V972	D959-K961 WeakPolarHBondContact OD2-CE 3.44Å; K961-Y963 HydrophobicContact CB-CD2 4.31Å; K961-Y963 HydrophobicContact CB-CE2 3.7Å; K961-Y963 HydrophobicContact CD-CE2 4.45Å; K961-F971 CarbonylContact O-C 3.54Å; K961-F971 WeakPolarHBondContact O-CA 3.34Å; K961-V972 HydrophobicContact CB-CB 4.44Å; K961-V972 PolarHBondContact N-O 3.15Å; K961-V972 PolarHBondContact O-N 3.39Å
962	E	91.1	Very high	86.9	Confident	77 Å²	77	54.4 Å²	54.4	36%	0.36	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	115.7	-174.3	-61.6	174.7	-103.7	0	0	109	K939 Y960 H964 F971	K939-E962 WeakPolarHBondContact CD-OE2 3.49Å; K939-E962 WeakPolarHBondContact CE-OE1 3.45Å; K939-E962 WeakPolarHBondContact CE-OE2 3.23Å; K939-E962 IonicContact NZ-OE1 3.31Å; K939-E962 PolarHBondContact NZ-OE1 3.23Å; K939-E962 IonicContact NZ-OE2 3.8Å; K939-E962 PolarHBondContact NZ-OE2 2.81Å; Y960-E962 HydrophobicContact CD2-CG 4.06Å; Y960-E962 HydrophobicContact CE2-CG 3.87Å; E962-H964 IonicContact OE2-CE1 3.08Å; E962-H964 PolarHBondContact OE2-CE1 3.14Å; E962-F971 HydrophobicContact CG-CD1 4.08Å; E962-F971 HydrophobicContact CG-CE1 4.04Å
963	Y	90.2	Very high	87.8	Confident	65 Å²	65	47.3 Å²	47.3	26%	0.255	26%	0.263	S	S	.	.			trans	-130.1	21.1	175.4	-54	-75	0	0	0	111.7	K961 R970 V972 E1225 T1226	K961-Y963 HydrophobicContact CB-CD2 4.31Å; K961-Y963 HydrophobicContact CB-CE2 3.7Å; K961-Y963 HydrophobicContact CD-CE2 4.45Å; Y963-R970 CarbonylContact C-O 3.47Å; Y963-R970 PolarHBondContact N-O 3.4Å; Y963-V972 HydrophobicContact CD2-CG2 3.92Å; Y963-V972 HydrophobicContact CE2-CB 4.28Å; Y963-V972 HydrophobicContact CE2-CG2 3.95Å; Y963-E1225 WeakPolarHBondContact CB-O 3.45Å; Y963-E1225 HydrophobicContact CD1-CB 3.82Å; Y963-E1225 HydrophobicContact CE1-CB 3.89Å; Y963-E1225 HydrophobicContact CE1-CG 4.15Å; Y963-E1225 HydrophobicContact CG-CB 4.42Å; Y963-T1226 WeakPolarHBondContact O-CA 3.13Å; Y963-T1226 WeakPolarHBondContact O-CB 3.5Å; Y963-T1226 WeakPolarHBondContact O-CG2 3.33Å
964	H	87	Confident	88.7	Confident	46 Å²	46	47.8 Å²	47.8	21%	0.213	26%	0.262	C	S	.	.			trans	-67.1	159.9	171.5	56.2	-111.8	0	0	0	111.3	T935 E962 T968 R970 F971	T935-H964 HydrophobicContact CG2-CB 4.17Å; E962-H964 IonicContact OE2-CE1 3.08Å; E962-H964 PolarHBondContact OE2-CE1 3.14Å; H964-T968 CarbonylContact C-O 3.21Å; H964-T968 WeakPolarHBondContact CA-O 3.4Å; H964-T968 WeakPolarHBondContact CB-O 3.29Å; H964-R970 PolarHBondContact N-O 3.5Å; H964-F971 AromaticContact ND1-CE1 3.77Å; H964-F971 AromaticContact ND1-CZ 3.88Å
965	T	85.4	Confident	89.2	Confident	43 Å²	43	43.6 Å²	43.6	26%	0.264	23%	0.234	S	C	.	.			trans	-117.6	-173.3	171.3	62.9	0	0	0	0	109.4	L797 V967 T968 T1226	L797-T965 WeakPolarHBondContact CD2-O 3.46Å; T965-V967 PolarHBondContact O-N 3.15Å; T965-V967 PolarHBondContact OG1-N 2.83Å; T965-T968 PolarHBondContact N-O 3.3Å; T965-T968 PolarHBondContact OG1-N 3.32Å; T965-T968 PolarHBondContact OG1-OG1 3.46Å; T965-T1226 HydrophobicContact CG2-CG2 4.01Å
966	D	81.2	Confident	89.4	Confident	95 Å²	95	42.9 Å²	42.9	51%	0.508	23%	0.226	S	C	.	.	S	Bend	trans	-64.9	-20.1	169.2	49.6	-40.1	0	0	0	113.6	T795	T795-D966 HydrophobicContact CG2-CB 3.89Å
967	V	81.8	Confident	89.5	Confident	81 Å²	81	45.1 Å²	45.1	49%	0.491	24%	0.24	S	C	.	.	S	Bend	trans	-108.2	-51.7	179.4	-176.9	0	0	0	0	112.2	T965	T965-V967 PolarHBondContact O-N 3.15Å; T965-V967 PolarHBondContact OG1-N 2.83Å
968	T	85.8	Confident	89.4	Confident	53 Å²	53	51.7 Å²	51.7	33%	0.325	27%	0.271	S	S	.	.			trans	-98.2	150.3	-171	66.7	0	0	0	0	113.1	H964 T965	H964-T968 CarbonylContact C-O 3.21Å; H964-T968 WeakPolarHBondContact CA-O 3.4Å; H964-T968 WeakPolarHBondContact CB-O 3.29Å; T965-T968 PolarHBondContact N-O 3.3Å; T965-T968 PolarHBondContact OG1-N 3.32Å; T965-T968 PolarHBondContact OG1-OG1 3.46Å
969	V	90.2	Very high	89.3	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.03	26%	0.257	C	S	.	.			trans	-100.2	137.5	169.7	-175.3	0	0	0	0	110.3	T927 L929 F971	T927-V969 CarbonylContact C-O 3.58Å; T927-V969 WeakPolarHBondContact CA-O 3.35Å; L929-V969 HydrophobicContact CD1-CG1 4.34Å; L929-V969 HydrophobicContact CD1-CG2 4.29Å; L929-V969 HydrophobicContact CG-CG1 4.11Å; L929-V969 HydrophobicContact CG-CG2 4.23Å; V969-F971 HydrophobicContact CG1-CD2 3.71Å; V969-F971 HydrophobicContact CG1-CE2 3.68Å
970	R	93	Very high	89.1	Confident	15 Å²	15	47.5 Å²	47.5	6%	0.057	24%	0.242	C	C	.	.			trans	-150.6	117.6	158.4	-164.1	-177.5	-171.9	-168.9	9.8	110.5	E925 I926 Y963 H964 V972 M1224 E1225 R1227 D1229	E925-R970 IonicContact OE2-CZ 3.93Å; E925-R970 IonicContact OE2-NE 2.71Å; E925-R970 PolarHBondContact OE2-NE 3.02Å; E925-R970 IonicContact OE2-NH2 3.42Å; E925-R970 PolarHBondContact OE2-NH2 3.03Å; I926-R970 WeakPolarHBondContact O-CA 3.44Å; Y963-R970 CarbonylContact C-O 3.47Å; Y963-R970 PolarHBondContact N-O 3.4Å; H964-R970 PolarHBondContact N-O 3.5Å; R970-V972 HydrophobicContact CG-CG2 4.42Å; R970-M1224 PolarHBondContact NH1-O 2.96Å; R970-E1225 VanDerWaalsContact CD-O 3.29Å; R970-E1225 WeakPolarHBondContact CD-O 3.45Å; R970-E1225 PolarHBondContact NH1-O 3Å; R970-R1227 PolarHBondContact NE-O 3.06Å; R970-R1227 PolarHBondContact NH1-O 3.01Å; R970-R1227 PolarHBondContact NH2-O 2.79Å; R970-D1229 IonicContact NH2-OD2 2.79Å
971	F	93.9	Very high	88.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.1	164.1	-62.6	-81.8	0	0	0	108.7	E925 I926 L929 T935 Y938 L943 Y960 K961 E962 H964 V969 I973	E925-F971 CarbonylContact C-O 3.57Å; E925-F971 WeakPolarHBondContact CA-O 3.33Å; I926-F971 HydrophobicContact CB-CB 4.4Å; I926-F971 PolarHBondContact N-O 3.1Å; I926-F971 PolarHBondContact O-N 3.37Å; L929-F971 HydrophobicContact CD1-CE2 4.44Å; T935-F971 HydrophobicContact CG2-CE2 3.93Å; T935-F971 HydrophobicContact CG2-CZ 3.61Å; Y938-F971 HydrophobicContact CD1-CD2 4.45Å; Y938-F971 AromaticContact CD1-CE2 3.9Å; Y938-F971 HydrophobicContact CD1-CE2 3.9Å; Y938-F971 HydrophobicContact CD1-CZ 4.34Å; Y938-F971 HydrophobicContact CE1-CD2 4.49Å; Y938-F971 HydrophobicContact CE1-CE2 4.38Å; L943-F971 HydrophobicContact CD1-CB 4.43Å; L943-F971 HydrophobicContact CD1-CD1 3.57Å; L943-F971 HydrophobicContact CD1-CD2 4.3Å; L943-F971 HydrophobicContact CD1-CE1 3.74Å; L943-F971 HydrophobicContact CD1-CE2 4.44Å; L943-F971 HydrophobicContact CD1-CG 3.86Å; L943-F971 HydrophobicContact CD1-CZ 4.17Å; Y960-F971 HydrophobicContact CD2-CD1 4.41Å; K961-F971 CarbonylContact O-C 3.54Å; K961-F971 WeakPolarHBondContact O-CA 3.34Å; E962-F971 HydrophobicContact CG-CD1 4.08Å; E962-F971 HydrophobicContact CG-CE1 4.04Å; H964-F971 AromaticContact ND1-CE1 3.77Å; H964-F971 AromaticContact ND1-CZ 3.88Å; V969-F971 HydrophobicContact CG1-CD2 3.71Å; V969-F971 HydrophobicContact CG1-CE2 3.68Å; F971-I973 HydrophobicContact CB-CG1 4.4Å
972	V	93.2	Very high	88.6	Confident	22 Å²	22	53.4 Å²	53.4	13%	0.133	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.5	171.6	179.1	0	0	0	0	108.1	L919 L924 E925 Y960 K961 Y963 R970	L919-V972 HydrophobicContact CD1-CG1 4.06Å; L924-V972 CarbonylContact O-C 3.44Å; L924-V972 WeakPolarHBondContact O-CA 3.14Å; E925-V972 HydrophobicContact CB-CG2 4.18Å; Y960-V972 CarbonylContact C-O 3.54Å; Y960-V972 WeakPolarHBondContact CA-O 3.29Å; K961-V972 HydrophobicContact CB-CB 4.44Å; K961-V972 PolarHBondContact N-O 3.15Å; K961-V972 PolarHBondContact O-N 3.39Å; Y963-V972 HydrophobicContact CD2-CG2 3.92Å; Y963-V972 HydrophobicContact CE2-CB 4.28Å; Y963-V972 HydrophobicContact CE2-CG2 3.95Å; R970-V972 HydrophobicContact CG-CG2 4.42Å
973	I	93.4	Very high	88.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.2	-168.8	-63.7	174.7	0	0	0	109.2	T923 L924 I926 L943 I957 F971 F992	T923-I973 VanDerWaalsContact CA-O 3.31Å; T923-I973 WeakPolarHBondContact CA-O 3.4Å; L924-I973 HydrophobicContact CD1-CB 3.9Å; L924-I973 HydrophobicContact CD1-CD1 4.08Å; L924-I973 HydrophobicContact CD1-CG1 4.36Å; L924-I973 HydrophobicContact CG-CB 4.18Å; L924-I973 PolarHBondContact N-O 3.5Å; L924-I973 PolarHBondContact O-N 3.02Å; I926-I973 HydrophobicContact CD1-CD1 3.55Å; I926-I973 HydrophobicContact CG1-CD1 4.17Å; L943-I973 HydrophobicContact CD2-CD1 3.66Å; I957-I973 HydrophobicContact CB-CG2 3.93Å; I957-I973 HydrophobicContact CD1-CG2 4.35Å; I957-I973 HydrophobicContact CG2-CG2 3.48Å; I957-I973 VanDerWaalsContact CG2-CG2 3.48Å; F971-I973 HydrophobicContact CB-CG1 4.4Å; I973-F992 HydrophobicContact CD1-CD1 4.12Å; I973-F992 HydrophobicContact CD1-CE1 3.79Å; I973-F992 HydrophobicContact CD1-CZ 4.5Å; I973-F992 HydrophobicContact CG2-CE1 4.28Å; I973-F992 HydrophobicContact CG2-CZ 4.37Å
974	K	92.1	Very high	88.1	Confident	56 Å²	56	50 Å²	50	24%	0.243	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	143.2	169.1	-56.8	-159.9	132	-74.5	0	111.1	D922 T923 T958 D959	D922-K974 WeakPolarHBondContact O-CA 2.95Å; D922-K974 IonicContact OD1-NZ 3.61Å; D922-K974 PolarHBondContact OD1-NZ 3.17Å; D922-K974 IonicContact OD2-NZ 3.59Å; D922-K974 PolarHBondContact OD2-NZ 3.13Å; T923-K974 HydrophobicContact CG2-CB 4.43Å; T923-K974 HydrophobicContact CG2-CD 4.25Å; T923-K974 HydrophobicContact CG2-CG 3.75Å; T958-K974 PolarHBondContact N-O 2.89Å; T958-K974 VanDerWaalsContact OG1-C 3.3Å; T958-K974 WeakPolarHBondContact OG1-CB 3.43Å; T958-K974 PolarHBondContact OG1-O 3.4Å; D959-K974 HydrophobicContact CB-CB 4.17Å; D959-K974 HydrophobicContact CB-CD 4.43Å; D959-K974 HydrophobicContact CB-CG 4.27Å; D959-K974 PolarHBondContact O-N 2.93Å
975	M	90.9	Very high	88	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.01	28%	0.276	C	S	.	.			trans	-147.8	164.5	172.8	20.2	168.6	43.3	0	0	109.8	D922 L924 I957 K979 L980 A983 F991 F992	D922-M975 WeakPolarHBondContact CB-O 3.23Å; D922-M975 PolarHBondContact O-N 2.91Å; D922-M975 VanDerWaalsContact O-O 3.11Å; L924-M975 HydrophobicContact CD2-CG 4.47Å; L924-M975 HydrophobicContact CD2-SD 3.81Å; I957-M975 HydrophobicContact CG2-CE 4.11Å; M975-K979 HydrophobicContact CB-CB 4.39Å; M975-K979 HydrophobicContact CE-CB 4.42Å; M975-L980 HydrophobicContact CG-CB 4.48Å; M975-L980 HydrophobicContact SD-CB 4Å; M975-L980 HydrophobicContact SD-CD1 3.69Å; M975-L980 HydrophobicContact SD-CG 4.47Å; M975-A983 HydrophobicContact CE-CB 4.27Å; M975-F991 HydrophobicContact CE-CE1 3.78Å; M975-F991 HydrophobicContact CE-CZ 4.16Å; M975-F992 HydrophobicContact CE-CE2 4.38Å; M975-F992 HydrophobicContact CE-CZ 3.77Å; M975-F992 HydrophobicContact SD-CZ 4.15Å
976	S	89	Confident	87.9	Confident	45 Å²	45	53.8 Å²	53.8	32%	0.315	28%	0.283	S	S	.	.			trans	-67.9	146.9	173.2	68	0	0	0	0	110.6	E978 K979 L980	S976-E978 PolarHBondContact O-N 3.27Å; S976-K979 WeakPolarHBondContact O-CA 3.33Å; S976-K979 PolarHBondContact O-N 3.14Å; S976-K979 PolarHBondContact OG-N 3.28Å; S976-L980 PolarHBondContact O-N 3.37Å
977	P	88.2	Confident	88.2	Confident	63 Å²	63	50.6 Å²	50.6	41%	0.409	27%	0.272	S	S	.	.	H	α-helix	trans	-60.4	-13.7	176.7	-26	34.3	0	0	0	114.8	D921 D922 R981	D921-P977 WeakPolarHBondContact O-CA 3.42Å; D921-P977 WeakPolarHBondContact O-CB 3.48Å; D921-P977 WeakPolarHBondContact O-CG 3.25Å; D922-P977 HydrophobicContact CB-CG 4.19Å; P977-R981 WeakPolarHBondContact O-CG 3.49Å; P977-R981 PolarHBondContact O-NE 2.86Å
978	E	86.7	Confident	88.6	Confident	144 Å²	144	47 Å²	47	67%	0.673	25%	0.25	S	S	*	.	H	α-helix	trans	-77.7	-46.9	168.4	-61.5	-175.4	157.6	0	0	111.3	S976 R981 E982	S976-E978 PolarHBondContact O-N 3.27Å; E978-R981 PolarHBondContact O-N 3.2Å; E978-E982 PolarHBondContact O-N 3.08Å
979	K	86.2	Confident	88.8	Confident	60 Å²	60	45 Å²	45	26%	0.261	24%	0.237	S	C	.	.	H	α-helix	trans	-69.7	-31.5	177.4	-75.7	-70.7	171.9	-159.3	0	113.3	M975 S976 E982 A983	M975-K979 HydrophobicContact CB-CB 4.39Å; M975-K979 HydrophobicContact CE-CB 4.42Å; S976-K979 WeakPolarHBondContact O-CA 3.33Å; S976-K979 PolarHBondContact O-N 3.14Å; S976-K979 PolarHBondContact OG-N 3.28Å; K979-E982 WeakPolarHBondContact CE-OE2 3.37Å; K979-E982 IonicContact NZ-OE1 2.71Å; K979-E982 PolarHBondContact NZ-OE1 3.42Å; K979-E982 IonicContact NZ-OE2 2.7Å; K979-E982 PolarHBondContact NZ-OE2 2.67Å; K979-E982 PolarHBondContact O-N 3.33Å; K979-A983 WeakPolarHBondContact O-CB 3.42Å; K979-A983 PolarHBondContact O-N 3.2Å
980	L	87.5	Confident	88.7	Confident	6 Å²	6	48.3 Å²	48.3	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-48.7	172.4	-177.3	61.5	0	0	0	111.1	V918 D921 L924 M975 S976 E982 A983 E984	V918-L980 HydrophobicContact CG1-CD2 4.25Å; D921-L980 VanDerWaalsContact O-CD2 3.31Å; D921-L980 WeakPolarHBondContact O-CD2 3.46Å; L924-L980 HydrophobicContact CD2-CD1 3.82Å; M975-L980 HydrophobicContact CG-CB 4.48Å; M975-L980 HydrophobicContact SD-CB 4Å; M975-L980 HydrophobicContact SD-CD1 3.69Å; M975-L980 HydrophobicContact SD-CG 4.47Å; S976-L980 PolarHBondContact O-N 3.37Å; L980-E982 VanDerWaalsContact C-N 3.33Å; L980-E982 PolarHBondContact O-N 2.85Å; L980-A983 PolarHBondContact O-N 3.34Å; L980-E984 WeakPolarHBondContact O-CG 3.34Å; L980-E984 PolarHBondContact O-N 2.76Å
981	R	86.8	Confident	88.5	Confident	154 Å²	154	49.2 Å²	49.2	58%	0.581	26%	0.255	S	S	*	.	H	α-helix	trans	-64.7	-34.8	177.1	-71.7	179.5	-68.5	151.6	0.9	113	P977 E978 S985	P977-R981 WeakPolarHBondContact O-CG 3.49Å; P977-R981 PolarHBondContact O-NE 2.86Å; E978-R981 PolarHBondContact O-N 3.2Å; R981-S985 WeakPolarHBondContact O-CB 3.31Å; R981-S985 PolarHBondContact O-N 2.77Å; R981-S985 PolarHBondContact O-OG 3.4Å
982	E	86.6	Confident	88.4	Confident	90 Å²	90	49.2 Å²	49.2	42%	0.421	26%	0.255	S	S	.	.	H	α-helix	trans	-62.5	-45.9	171.7	-170.5	-179.5	139.2	0	0	111.2	E978 K979 L980 S985 T986	E978-E982 PolarHBondContact O-N 3.08Å; K979-E982 WeakPolarHBondContact CE-OE2 3.37Å; K979-E982 IonicContact NZ-OE1 2.71Å; K979-E982 PolarHBondContact NZ-OE1 3.42Å; K979-E982 IonicContact NZ-OE2 2.7Å; K979-E982 PolarHBondContact NZ-OE2 2.67Å; K979-E982 PolarHBondContact O-N 3.33Å; L980-E982 VanDerWaalsContact C-N 3.33Å; L980-E982 PolarHBondContact O-N 2.85Å; E982-S985 PolarHBondContact O-N 2.92Å; E982-S985 PolarHBondContact O-OG 2.76Å; E982-T986 PolarHBondContact O-N 3.18Å; E982-T986 VanDerWaalsContact O-N 3.1Å; E982-T986 PolarHBondContact O-OG1 3.32Å
983	A	85.7	Confident	88.2	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67	-40.1	177.6	0	0	0	0	0	112.9	M975 K979 L980 T986 G987 L988 F991	M975-A983 HydrophobicContact CE-CB 4.27Å; K979-A983 WeakPolarHBondContact O-CB 3.42Å; K979-A983 PolarHBondContact O-N 3.2Å; L980-A983 PolarHBondContact O-N 3.34Å; A983-T986 PolarHBondContact O-N 3.17Å; A983-G987 CarbonylContact O-C 3.55Å; A983-G987 PolarHBondContact O-N 3.35Å; A983-G987 VanDerWaalsContact O-N 3.1Å; A983-L988 HydrophobicContact CB-CD2 3.78Å; A983-F991 HydrophobicContact CB-CB 4.22Å; A983-F991 HydrophobicContact CB-CD1 3.76Å; A983-F991 HydrophobicContact CB-CD2 3.62Å; A983-F991 HydrophobicContact CB-CE1 3.93Å; A983-F991 HydrophobicContact CB-CE2 3.79Å; A983-F991 HydrophobicContact CB-CG 3.59Å; A983-F991 HydrophobicContact CB-CZ 3.94Å
984	E	86.5	Confident	88.2	Confident	70 Å²	70	53 Å²	53	33%	0.327	27%	0.27	S	S	.	.	H	α-helix	trans	-59.9	-47.5	171	-75	-172.5	136.8	0	0	111.6	L980 T986 G987 L988 R1233	L980-E984 WeakPolarHBondContact O-CG 3.34Å; L980-E984 PolarHBondContact O-N 2.76Å; E984-T986 PolarHBondContact O-N 3.33Å; E984-G987 PolarHBondContact O-N 3.35Å; E984-L988 HydrophobicContact CG-CD1 4.08Å; E984-L988 HydrophobicContact CG-CD2 4.45Å; E984-L988 HydrophobicContact CG-CG 4.31Å; E984-R1233 IonicContact OE1-CZ 2.72Å; E984-R1233 IonicContact OE1-NH1 2.69Å; E984-R1233 IonicContact OE1-NH2 3Å; E984-R1233 PolarHBondContact OE1-NH2 2.62Å
985	S	84.4	Confident	88.2	Confident	102 Å²	102	52.3 Å²	52.3	71%	0.713	27%	0.268	S	S	*	.	H	α-helix	trans	-64.7	-22.7	178.9	76.2	0	0	0	0	113.7	R981 E982	R981-S985 WeakPolarHBondContact O-CB 3.31Å; R981-S985 PolarHBondContact O-N 2.77Å; R981-S985 PolarHBondContact O-OG 3.4Å; E982-S985 PolarHBondContact O-N 2.92Å; E982-S985 PolarHBondContact O-OG 2.76Å
986	T	83	Confident	88.1	Confident	66 Å²	66	54.3 Å²	54.3	41%	0.405	28%	0.28	S	S	.	.	H	α-helix	trans	-86.1	-16	174.8	-54.8	0	0	0	0	112.5	E982 A983 E984	E982-T986 PolarHBondContact O-N 3.18Å; E982-T986 VanDerWaalsContact O-N 3.1Å; E982-T986 PolarHBondContact O-OG1 3.32Å; A983-T986 PolarHBondContact O-N 3.17Å; E984-T986 PolarHBondContact O-N 3.33Å
987	G	87.1	Confident	88.2	Confident	28 Å²	28	55.8 Å²	55.8	29%	0.289	29%	0.287	S	S	.	.			trans	83.6	114.4	-166.9	0	0	0	0	0	111.4	A983 E984 H989 K990 F991	A983-G987 CarbonylContact O-C 3.55Å; A983-G987 PolarHBondContact O-N 3.35Å; A983-G987 VanDerWaalsContact O-N 3.1Å; E984-G987 PolarHBondContact O-N 3.35Å; G987-H989 VanDerWaalsContact C-N 3.29Å; G987-H989 PolarHBondContact O-N 2.82Å; G987-K990 WeakPolarHBondContact O-CA 3.46Å; G987-K990 WeakPolarHBondContact O-CB 3.47Å; G987-K990 PolarHBondContact O-N 3.41Å; G987-F991 PolarHBondContact O-N 2.85Å
988	L	90	Very high	88.2	Confident	6 Å²	6	53.4 Å²	53.4	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-58.6	-36.4	-173.6	-70.6	165.5	0	0	0	113.3	V916 V918 L924 A983 E984 K990 F991 F992 I1235	V916-L988 HydrophobicContact CG1-CB 4.02Å; V918-L988 HydrophobicContact CG2-CD1 3.85Å; L924-L988 HydrophobicContact CD2-CD2 4.25Å; A983-L988 HydrophobicContact CB-CD2 3.78Å; E984-L988 HydrophobicContact CG-CD1 4.08Å; E984-L988 HydrophobicContact CG-CD2 4.45Å; E984-L988 HydrophobicContact CG-CG 4.31Å; L988-K990 PolarHBondContact O-N 2.64Å; L988-F991 PolarHBondContact O-N 3.1Å; L988-F992 HydrophobicContact CD2-CD2 4.21Å; L988-F992 HydrophobicContact CD2-CE2 3.9Å; L988-F992 PolarHBondContact O-N 2.97Å; L988-I1235 HydrophobicContact CD1-CD1 4.42Å; L988-I1235 HydrophobicContact CD1-CG1 3.91Å
989	H	90.7	Very high	88.2	Confident	10 Å²	10	48.4 Å²	48.4	5%	0.046	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-39.6	174	-62.6	96.6	0	0	0	112.9	Y913 G914 G987 K993 L994 I1235 P1237	Y913-H989 HydrophobicContact CD1-CB 4.32Å; G914-H989 PolarHBondContact O-CD2 3.17Å; G914-H989 PolarHBondContact O-NE2 3.42Å; G987-H989 VanDerWaalsContact C-N 3.29Å; G987-H989 PolarHBondContact O-N 2.82Å; H989-K993 CarbonylContact O-C 3.53Å; H989-K993 PolarHBondContact O-N 3.1Å; H989-L994 PolarHBondContact O-N 2.95Å; H989-I1235 PolarHBondContact CE1-O 2.92Å; H989-P1237 VanDerWaalsContact CE1-CA 3.5Å; H989-P1237 WeakPolarHBondContact CE1-CA 3.35Å
990	K	87.7	Confident	88.1	Confident	76 Å²	76	45.6 Å²	45.6	33%	0.33	24%	0.24	S	C	.	.	H	α-helix	trans	-70.9	-41.8	175.8	-172.1	172.2	-175.6	162.3	0	110.9	G987 L988 D1240 D1242	G987-K990 WeakPolarHBondContact O-CA 3.46Å; G987-K990 WeakPolarHBondContact O-CB 3.47Å; G987-K990 PolarHBondContact O-N 3.41Å; L988-K990 PolarHBondContact O-N 2.64Å; K990-D1240 WeakPolarHBondContact CD-OD2 3.5Å; K990-D1240 WeakPolarHBondContact CE-OD2 3.43Å; K990-D1240 IonicContact NZ-OD1 2.69Å; K990-D1240 PolarHBondContact NZ-OD1 2.85Å; K990-D1240 IonicContact NZ-OD2 3.17Å; K990-D1240 PolarHBondContact NZ-OD2 2.86Å; K990-D1242 IonicContact NZ-OD2 3.19Å; K990-D1242 PolarHBondContact NZ-OD2 3.19Å
991	F	88.6	Confident	87.6	Confident	33 Å²	33	48 Å²	48	15%	0.145	27%	0.267	C	S	.	.	H	α-helix	trans	-64.8	-51.7	-179.8	-168	-86.8	0	0	0	112.5	M946 C956 M975 A983 G987 L988 K993	M946-F991 VanDerWaalsContact CE-O 3.26Å; M946-F991 WeakPolarHBondContact CE-O 3.34Å; C956-F991 HydrophobicContact CB-CE1 4.38Å; C956-F991 HydrophobicContact CB-CZ 3.95Å; M975-F991 HydrophobicContact CE-CE1 3.78Å; M975-F991 HydrophobicContact CE-CZ 4.16Å; A983-F991 HydrophobicContact CB-CB 4.22Å; A983-F991 HydrophobicContact CB-CD1 3.76Å; A983-F991 HydrophobicContact CB-CD2 3.62Å; A983-F991 HydrophobicContact CB-CE1 3.93Å; A983-F991 HydrophobicContact CB-CE2 3.79Å; A983-F991 HydrophobicContact CB-CG 3.59Å; A983-F991 HydrophobicContact CB-CZ 3.94Å; G987-F991 PolarHBondContact O-N 2.85Å; L988-F991 PolarHBondContact O-N 3.1Å; F991-K993 VanDerWaalsContact C-N 3.27Å; F991-K993 PolarHBondContact O-N 3.21Å
992	F	91.1	Very high	87.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	9.2	-178.7	-73.7	-75.7	0	0	0	114.2	L924 I926 Y938 M946 I957 I973 M975 L988 L994	L924-F992 HydrophobicContact CD1-CE2 4.18Å; L924-F992 HydrophobicContact CD1-CZ 4.22Å; L924-F992 HydrophobicContact CD2-CD2 4.5Å; L924-F992 HydrophobicContact CD2-CE2 3.5Å; L924-F992 VanDerWaalsContact CD2-CE2 3.5Å; L924-F992 HydrophobicContact CD2-CZ 3.73Å; I926-F992 HydrophobicContact CD1-CB 4.24Å; I926-F992 HydrophobicContact CD1-CD1 4.14Å; I926-F992 HydrophobicContact CD1-CG 4.23Å; Y938-F992 WeakPolarHBondContact CE2-O 3.37Å; Y938-F992 PolarHBondContact OH-O 3.03Å; M946-F992 HydrophobicContact SD-CD1 4.2Å; M946-F992 HydrophobicContact SD-CE1 4.33Å; I957-F992 HydrophobicContact CG2-CE1 4.1Å; I957-F992 HydrophobicContact CG2-CZ 4.37Å; I973-F992 HydrophobicContact CD1-CD1 4.12Å; I973-F992 HydrophobicContact CD1-CE1 3.79Å; I973-F992 HydrophobicContact CD1-CZ 4.5Å; I973-F992 HydrophobicContact CG2-CE1 4.28Å; I973-F992 HydrophobicContact CG2-CZ 4.37Å; M975-F992 HydrophobicContact CE-CE2 4.38Å; M975-F992 HydrophobicContact CE-CZ 3.77Å; M975-F992 HydrophobicContact SD-CZ 4.15Å; L988-F992 HydrophobicContact CD2-CD2 4.21Å; L988-F992 HydrophobicContact CD2-CE2 3.9Å; L988-F992 PolarHBondContact O-N 2.97Å; F992-L994 HydrophobicContact CB-CD1 3.97Å; F992-L994 HydrophobicContact CB-CG 3.87Å; F992-L994 PolarHBondContact O-N 3.29Å
993	K	90.9	Very high	87.7	Confident	101 Å²	101	38.4 Å²	38.4	44%	0.439	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	27.5	-176.4	-46.1	178.6	-165.9	164.9	0	113.9	S941 V942 H989 F991 Q995	S941-K993 PolarHBondContact O-NZ 2.91Å; V942-K993 HydrophobicContact CB-CD 4.5Å; V942-K993 HydrophobicContact CG1-CD 3.89Å; V942-K993 HydrophobicContact CG1-CG 4.18Å; V942-K993 HydrophobicContact CG2-CD 3.86Å; H989-K993 CarbonylContact O-C 3.53Å; H989-K993 PolarHBondContact O-N 3.1Å; F991-K993 VanDerWaalsContact C-N 3.27Å; F991-K993 PolarHBondContact O-N 3.21Å; K993-Q995 PolarHBondContact O-N 2.83Å
994	L	92.6	Very high	88	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.233	C	C	.	.			trans	-82.5	36.2	178.8	-57.2	173.3	0	0	0	112.2	Y913 G914 V916 I926 L929 P930 Y938 H989 F992	Y913-L994 VanDerWaalsContact CA-O 3.3Å; Y913-L994 WeakPolarHBondContact CA-O 3.37Å; G914-L994 PolarHBondContact N-O 2.9Å; V916-L994 HydrophobicContact CB-CD1 3.83Å; V916-L994 HydrophobicContact CG1-CD1 4.41Å; V916-L994 HydrophobicContact CG2-CD1 4.34Å; I926-L994 HydrophobicContact CD1-CD1 4Å; I926-L994 HydrophobicContact CD1-CD2 4.34Å; I926-L994 HydrophobicContact CG1-CD1 3.98Å; I926-L994 HydrophobicContact CG2-CD1 3.87Å; I926-L994 HydrophobicContact CG2-CD2 3.76Å; I926-L994 HydrophobicContact CG2-CG 4.48Å; L929-L994 HydrophobicContact CD2-CD2 3.63Å; P930-L994 VanDerWaalsContact CG-C 3.46Å; Y938-L994 HydrophobicContact CE2-CD2 4.06Å; H989-L994 PolarHBondContact O-N 2.95Å; F992-L994 HydrophobicContact CB-CD1 3.97Å; F992-L994 HydrophobicContact CB-CG 3.87Å; F992-L994 PolarHBondContact O-N 3.29Å
995	Q	91	Very high	88.3	Confident	42 Å²	42	35.2 Å²	35.2	20%	0.196	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	123.8	177.1	62	-176.5	33.4	0	0	109.4	V911 C912 Y913 K993	V911-Q995 HydrophobicContact CG1-CB 4.13Å; C912-Q995 WeakPolarHBondContact O-CA 3.47Å; Y913-Q995 HydrophobicContact CD1-CB 3.78Å; Y913-Q995 HydrophobicContact CE1-CB 4.07Å; K993-Q995 PolarHBondContact O-N 2.83Å
996	T	90.2	Very high	88.7	Confident	45 Å²	45	31.3 Å²	31.3	28%	0.276	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.4	178.4	-65.9	0	0	0	0	109.6	C912	C912-T996 PolarHBondContact N-O 3.14Å; C912-T996 PolarHBondContact O-N 2.94Å
997	V	89.7	Confident	88.9	Confident	76 Å²	76	29.6 Å²	29.6	46%	0.461	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	116.1	177.2	-176	0	0	0	0	109.2	L905 Y910 V911 I1243	L905-V997 HydrophobicContact CD1-CG1 4.24Å; Y910-V997 CarbonylContact O-C 3.59Å; Y910-V997 WeakPolarHBondContact O-CA 3.42Å; V911-V997 HydrophobicContact CG2-CG2 4.42Å; V997-I1243 HydrophobicContact CG2-CD1 4.41Å
998	M	89.2	Confident	88.9	Confident	12 Å²	12	29.8 Å²	29.8	6%	0.059	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	158.4	172.7	-55.2	-160.2	-60.1	0	0	110.4	L868 P893 F895 I902 R909 Y910 C912 I931	L868-M998 HydrophobicContact CD1-CB 4.24Å; L868-M998 HydrophobicContact CD1-CE 3.88Å; L868-M998 HydrophobicContact CD2-CB 4.47Å; L868-M998 HydrophobicContact CD2-CE 4.02Å; L868-M998 HydrophobicContact CD2-SD 3.91Å; P893-M998 HydrophobicContact CB-CE 4.34Å; F895-M998 HydrophobicContact CE2-CE 3.85Å; F895-M998 HydrophobicContact CZ-CE 4.15Å; I902-M998 HydrophobicContact CD1-CE 4.47Å; R909-M998 WeakPolarHBondContact CA-O 3.4Å; Y910-M998 PolarHBondContact N-O 3.14Å; Y910-M998 PolarHBondContact O-N 3.22Å; C912-M998 HydrophobicContact CB-CE 4.36Å; I931-M998 HydrophobicContact CB-SD 4.49Å; I931-M998 HydrophobicContact CG2-SD 4.35Å
999	S	86.4	Confident	88.5	Confident	39 Å²	39	33.6 Å²	33.6	27%	0.273	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	139.7	176	-172.3	0	0	0	0	112.2	H866 N908 G1001	H866-S999 PolarHBondContact ND1-O 2.87Å; N908-S999 VanDerWaalsContact O-CA 3.22Å; N908-S999 WeakPolarHBondContact O-CA 3.36Å; N908-S999 WeakPolarHBondContact O-CB 3.37Å; N908-S999 PolarHBondContact O-OG 2.87Å; S999-G1001 VanDerWaalsContact C-N 3.32Å; S999-G1001 PolarHBondContact OG-N 3.21Å
1000	T	83.8	Confident	88	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.006	21%	0.205	C	C	.	.			trans	-97.4	26.3	171.1	42.2	0	0	0	0	111.5	L868 N908 Y910 S1002 M1003	L868-T1000 HydrophobicContact CB-CG2 4.29Å; L868-T1000 HydrophobicContact CD1-CG2 3.74Å; L868-T1000 HydrophobicContact CG-CG2 3.8Å; N908-T1000 WeakPolarHBondContact CB-OG1 3.31Å; N908-T1000 PolarHBondContact O-N 3.47Å; Y910-T1000 HydrophobicContact CE2-CG2 4.25Å; T1000-S1002 PolarHBondContact O-N 3.47Å; T1000-S1002 VanDerWaalsContact O-N 3.14Å; T1000-M1003 HydrophobicContact CG2-CG 4.35Å; T1000-M1003 HydrophobicContact CG2-SD 3.86Å; T1000-M1003 WeakPolarHBondContact O-CE 3.49Å
1001	G	78.4	Confident	87.8	Confident	58 Å²	58	32 Å²	32	60%	0.598	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	11.7	179.8	0	0	0	0	0	115.8	S999	S999-G1001 VanDerWaalsContact C-N 3.32Å; S999-G1001 PolarHBondContact OG-N 3.21Å
1002	S	84.1	Confident	87.7	Confident	40 Å²	40	32 Å²	32	28%	0.28	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-153.6	52.9	178.7	-158.4	0	0	0	0	110.4	A864 T865 H866 T1000 V1004	A864-S1002 PolarHBondContact O-OG 3.47Å; T865-S1002 CarbonylContact C-O 3.59Å; T865-S1002 VanDerWaalsContact CA-O 3.31Å; T865-S1002 WeakPolarHBondContact CA-O 3.3Å; H866-S1002 PolarHBondContact N-O 2.84Å; T1000-S1002 PolarHBondContact O-N 3.47Å; T1000-S1002 VanDerWaalsContact O-N 3.14Å; S1002-V1004 PolarHBondContact O-N 3.47Å
1003	M	90.9	Very high	87.5	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	22%	0.216	C	C	.	.			trans	-81.1	97.5	171.9	-63	-178.4	-67.2	0	0	108.1	I867 T1000 Y1015 N1017 I1021	I867-M1003 HydrophobicContact CD1-CB 4.48Å; I867-M1003 HydrophobicContact CG1-CB 3.95Å; I867-M1003 HydrophobicContact CG1-CG 3.9Å; T1000-M1003 HydrophobicContact CG2-CG 4.35Å; T1000-M1003 HydrophobicContact CG2-SD 3.86Å; T1000-M1003 WeakPolarHBondContact O-CE 3.49Å; M1003-Y1015 VanDerWaalsContact CE-O 3.31Å; M1003-Y1015 WeakPolarHBondContact CE-O 3.46Å; M1003-Y1015 PolarHBondContact O-N 3.38Å; M1003-N1017 VanDerWaalsContact CE-CA 3.44Å; M1003-I1021 HydrophobicContact CB-CD1 4.37Å; M1003-I1021 HydrophobicContact SD-CD1 4.2Å
1004	V	92.1	Very high	87.5	Confident	3 Å²	3	34.7 Å²	34.7	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.8	-178.8	-177.2	0	0	0	0	108.6	I718 Y863 A864 T865 S1002 L1012 K1013 C1014	I718-V1004 HydrophobicContact CD1-CG1 4.29Å; I718-V1004 HydrophobicContact CG2-CG1 4.39Å; I718-V1004 WeakPolarHBondContact CG2-O 3.11Å; Y863-V1004 HydrophobicContact CD1-CG1 4.13Å; A864-V1004 WeakPolarHBondContact O-CG2 3.45Å; T865-V1004 WeakPolarHBondContact CB-O 3.39Å; T865-V1004 PolarHBondContact OG1-N 2.86Å; T865-V1004 PolarHBondContact OG1-O 3.38Å; S1002-V1004 PolarHBondContact O-N 3.47Å; V1004-L1012 HydrophobicContact CG1-CD2 4.06Å; V1004-K1013 WeakPolarHBondContact CA-O 3.47Å; V1004-C1014 HydrophobicContact CG2-CB 4.4Å
1005	C	93.4	Very high	87.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	166.5	172.6	-61.2	0	0	0	0	109.4	P719 V721 I867 K1013 Y1015	P719-C1005 WeakPolarHBondContact O-CA 3.4Å; V721-C1005 HydrophobicContact CB-CB 3.83Å; V721-C1005 HydrophobicContact CG2-CB 4.46Å; I867-C1005 WeakPolarHBondContact CD1-SG 3.49Å; C1005-K1013 PolarHBondContact N-O 2.88Å; C1005-K1013 VanDerWaalsContact N-O 3.13Å; C1005-K1013 PolarHBondContact O-N 3.33Å; C1005-Y1015 HydrophobicContact CB-CD2 4.43Å; C1005-Y1015 HydrophobicContact CB-CE2 3.75Å
1006	F	90.9	Very high	87.3	Confident	21 Å²	21	36 Å²	36	9%	0.092	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	132.9	154.5	-69.4	-85.8	0	0	0	109.5	N714 E715 I718 P719 V721 G1010 C1011 L1012	N714-F1006 HydrophobicContact CB-CZ 4.07Å; E715-F1006 VanDerWaalsContact CA-CE2 3.5Å; E715-F1006 HydrophobicContact CB-CE2 4.47Å; E715-F1006 HydrophobicContact CB-CZ 4.22Å; E715-F1006 HydrophobicContact CG-CE1 4.15Å; E715-F1006 HydrophobicContact CG-CE2 4.4Å; E715-F1006 HydrophobicContact CG-CZ 3.72Å; I718-F1006 HydrophobicContact CB-CD2 4.28Å; I718-F1006 HydrophobicContact CB-CE2 3.89Å; I718-F1006 HydrophobicContact CG2-CD2 4.06Å; I718-F1006 HydrophobicContact CG2-CE2 4.12Å; P719-F1006 PolarHBondContact O-N 3.36Å; V721-F1006 WeakPolarHBondContact CB-O 3.09Å; V721-F1006 WeakPolarHBondContact CG1-O 3.27Å; V721-F1006 PolarHBondContact N-O 3.18Å; F1006-G1010 WeakPolarHBondContact CD1-O 3.38Å; F1006-C1011 CarbonylContact C-O 3.54Å; F1006-C1011 WeakPolarHBondContact CA-O 3.5Å; F1006-L1012 HydrophobicContact CD1-CD2 3.87Å; F1006-L1012 HydrophobicContact CD1-CG 4.08Å; F1006-L1012 HydrophobicContact CD2-CD2 3.97Å; F1006-L1012 HydrophobicContact CE1-CD1 4.48Å; F1006-L1012 HydrophobicContact CE1-CD2 3.62Å; F1006-L1012 HydrophobicContact CE1-CG 3.66Å; F1006-L1012 HydrophobicContact CE2-CD2 3.69Å; F1006-L1012 HydrophobicContact CG-CD2 4.05Å; F1006-L1012 HydrophobicContact CZ-CD1 4.47Å; F1006-L1012 HydrophobicContact CZ-CD2 3.52Å; F1006-L1012 HydrophobicContact CZ-CG 3.93Å
1007	D	89.2	Confident	87.3	Confident	29 Å²	29	35.6 Å²	35.6	16%	0.155	23%	0.225	C	C	.	.			trans	-69.7	171.7	166.5	75.1	10.8	0	0	0	110.6	L1009 G1010 C1011 K1013	D1007-L1009 PolarHBondContact O-N 2.6Å; D1007-L1009 WeakPolarHBondContact OD1-CA 3.43Å; D1007-L1009 PolarHBondContact OD1-N 3.12Å; D1007-G1010 PolarHBondContact O-N 2.72Å; D1007-G1010 VanDerWaalsContact O-N 3.16Å; D1007-G1010 PolarHBondContact OD1-N 3Å; D1007-G1010 VanDerWaalsContact OD1-N 3.1Å; D1007-C1011 PolarHBondContact N-O 3.14Å; D1007-C1011 PolarHBondContact OD1-N 3.2Å; D1007-C1011 WeakPolarHBondContact OD2-CB 3.32Å; D1007-K1013 HydrophobicContact CB-CB 4.45Å
1008	P	85.3	Confident	87.4	Confident	32 Å²	32	32 Å²	32	21%	0.208	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-10.5	-177.7	-23.7	35.5	0	0	0	115	V721 V722 W843 L1028	V721-P1008 HydrophobicContact CG1-CG 4.31Å; V722-P1008 HydrophobicContact CG2-CB 4.25Å; V722-P1008 HydrophobicContact CG2-CG 3.97Å; W843-P1008 HydrophobicContact CZ2-CB 4.3Å; P1008-L1028 HydrophobicContact CB-CD2 4.2Å; P1008-L1028 HydrophobicContact CG-CD2 3.81Å
1009	L	81.5	Confident	87.6	Confident	86 Å²	86	32.5 Å²	32.5	45%	0.45	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-2.6	-177.7	-57.2	-179.8	0	0	0	113.3	K676 R679 D1007	K676-L1009 VanDerWaalsContact NZ-CD1 3.27Å; R679-L1009 PolarHBondContact NH2-O 2.86Å; D1007-L1009 PolarHBondContact O-N 2.6Å; D1007-L1009 WeakPolarHBondContact OD1-CA 3.43Å; D1007-L1009 PolarHBondContact OD1-N 3.12Å
1010	G	80.4	Confident	87.9	Confident	30 Å²	30	33.2 Å²	33.2	31%	0.309	21%	0.206	S	C	.	.	S	Bend	trans	91.5	15.9	-180	0	0	0	0	0	115	F1006 D1007	F1006-G1010 WeakPolarHBondContact CD1-O 3.38Å; D1007-G1010 PolarHBondContact O-N 2.72Å; D1007-G1010 VanDerWaalsContact O-N 3.16Å; D1007-G1010 PolarHBondContact OD1-N 3Å; D1007-G1010 VanDerWaalsContact OD1-N 3.1Å
1011	C	83.8	Confident	88.4	Confident	23 Å²	23	33.1 Å²	33.1	16%	0.155	21%	0.206	C	C	.	.			trans	-97.8	141.3	176.1	-69.4	0	0	0	0	111.8	F1006 D1007 K1013	F1006-C1011 CarbonylContact C-O 3.54Å; F1006-C1011 WeakPolarHBondContact CA-O 3.5Å; D1007-C1011 PolarHBondContact N-O 3.14Å; D1007-C1011 PolarHBondContact OD1-N 3.2Å; D1007-C1011 WeakPolarHBondContact OD2-CB 3.32Å; C1011-K1013 PolarHBondContact O-N 2.88Å
1012	L	87.1	Confident	89.1	Confident	34 Å²	34	30.4 Å²	30.4	18%	0.178	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	112.2	176.2	-75	172	0	0	0	111.3	N714 I718 Y863 V1004 F1006	N714-L1012 HydrophobicContact CB-CD1 4.04Å; I718-L1012 HydrophobicContact CB-CD2 4.44Å; I718-L1012 HydrophobicContact CD1-CD2 3.9Å; I718-L1012 HydrophobicContact CG2-CD2 3.95Å; Y863-L1012 HydrophobicContact CD1-CD1 4.28Å; Y863-L1012 HydrophobicContact CD2-CD1 3.74Å; Y863-L1012 HydrophobicContact CE1-CB 4.42Å; Y863-L1012 HydrophobicContact CE1-CD1 4.33Å; Y863-L1012 HydrophobicContact CE2-CD1 3.83Å; Y863-L1012 HydrophobicContact CG-CD1 4Å; V1004-L1012 HydrophobicContact CG1-CD2 4.06Å; F1006-L1012 HydrophobicContact CD1-CD2 3.87Å; F1006-L1012 HydrophobicContact CD1-CG 4.08Å; F1006-L1012 HydrophobicContact CD2-CD2 3.97Å; F1006-L1012 HydrophobicContact CE1-CD1 4.48Å; F1006-L1012 HydrophobicContact CE1-CD2 3.62Å; F1006-L1012 HydrophobicContact CE1-CG 3.66Å; F1006-L1012 HydrophobicContact CE2-CD2 3.69Å; F1006-L1012 HydrophobicContact CG-CD2 4.05Å; F1006-L1012 HydrophobicContact CZ-CD1 4.47Å; F1006-L1012 HydrophobicContact CZ-CD2 3.52Å; F1006-L1012 HydrophobicContact CZ-CG 3.93Å
1013	K	87.5	Confident	89.6	Confident	87 Å²	87	32.9 Å²	32.9	38%	0.378	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	139	178.3	-169.2	170.8	-175.8	179.8	0	110.5	V1004 C1005 D1007 C1011 Y1015 E1024	V1004-K1013 WeakPolarHBondContact CA-O 3.47Å; C1005-K1013 PolarHBondContact N-O 2.88Å; C1005-K1013 VanDerWaalsContact N-O 3.13Å; C1005-K1013 PolarHBondContact O-N 3.33Å; D1007-K1013 HydrophobicContact CB-CB 4.45Å; C1011-K1013 PolarHBondContact O-N 2.88Å; K1013-Y1015 HydrophobicContact CB-CE2 3.74Å; K1013-Y1015 HydrophobicContact CD-CE1 4.09Å; K1013-Y1015 HydrophobicContact CD-CE2 4.43Å; K1013-Y1015 HydrophobicContact CG-CE1 4.41Å; K1013-Y1015 HydrophobicContact CG-CE2 4.02Å; K1013-Y1015 WeakPolarHBondContact O-CD2 3.38Å; K1013-Y1015 WeakPolarHBondContact O-CE2 3.34Å; K1013-E1024 WeakPolarHBondContact CE-OE2 3.42Å; K1013-E1024 IonicContact NZ-OE2 2.62Å; K1013-E1024 PolarHBondContact NZ-OE2 2.9Å
1014	C	89.6	Confident	89.7	Confident	69 Å²	69	34.1 Å²	34.1	47%	0.466	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124	173.9	-168.5	0	0	0	0	108.6	V1004 P1016	V1004-C1014 HydrophobicContact CG2-CB 4.4Å; C1014-P1016 WeakPolarHBondContact O-CD 3.24Å
1015	Y	91.3	Very high	89.8	Confident	3 Å²	3	34.1 Å²	34.1	1%	0.012	19%	0.186	C	C	.	.			trans	-98.6	118.1	-172.5	-65.1	-98.4	0	0	0	109.8	V721 M1003 C1005 K1013 N1017 I1020 I1021 E1024	V721-Y1015 HydrophobicContact CG2-CE1 4.06Å; V721-Y1015 HydrophobicContact CG2-CE2 4.47Å; M1003-Y1015 VanDerWaalsContact CE-O 3.31Å; M1003-Y1015 WeakPolarHBondContact CE-O 3.46Å; M1003-Y1015 PolarHBondContact O-N 3.38Å; C1005-Y1015 HydrophobicContact CB-CD2 4.43Å; C1005-Y1015 HydrophobicContact CB-CE2 3.75Å; K1013-Y1015 HydrophobicContact CB-CE2 3.74Å; K1013-Y1015 HydrophobicContact CD-CE1 4.09Å; K1013-Y1015 HydrophobicContact CD-CE2 4.43Å; K1013-Y1015 HydrophobicContact CG-CE1 4.41Å; K1013-Y1015 HydrophobicContact CG-CE2 4.02Å; K1013-Y1015 WeakPolarHBondContact O-CD2 3.38Å; K1013-Y1015 WeakPolarHBondContact O-CE2 3.34Å; Y1015-N1017 PolarHBondContact O-N 2.91Å; Y1015-I1020 HydrophobicContact CD1-CG2 4.07Å; Y1015-I1021 HydrophobicContact CD1-CB 4.49Å; Y1015-I1021 HydrophobicContact CD1-CG1 3.48Å; Y1015-I1021 VanDerWaalsContact CD1-CG1 3.48Å; Y1015-I1021 HydrophobicContact CD2-CG1 4.37Å; Y1015-I1021 HydrophobicContact CE1-CG1 4.24Å; Y1015-I1021 HydrophobicContact CG-CD1 4.12Å; Y1015-I1021 HydrophobicContact CG-CG1 3.57Å; Y1015-E1024 WeakPolarHBondContact CE1-OE1 3.47Å; Y1015-E1024 WeakPolarHBondContact CE1-OE2 3.31Å; Y1015-E1024 PolarHBondContact OH-OE1 3.32Å
1016	P	89.2	Confident	89.9	Confident	66 Å²	66	35.7 Å²	35.7	43%	0.429	19%	0.193	S	C	.	.	S	Bend	trans	-65.1	-22.1	-177.8	-25.2	33.9	0	0	0	115	N908 C1014 I1020	N908-P1016 PolarHBondContact ND2-O 2.96Å; C1014-P1016 WeakPolarHBondContact O-CD 3.24Å; P1016-I1020 HydrophobicContact CB-CD1 3.96Å; P1016-I1020 HydrophobicContact CG-CD1 3.89Å
1017	N	90	Very high	90	Very high	37 Å²	37	40.4 Å²	40.4	20%	0.198	22%	0.215	C	C	.	.	S	Bend	trans	-162.2	170.3	178.5	60.9	63.1	0	0	0	111.7	M1003 Y1015 I1019 I1020	M1003-N1017 VanDerWaalsContact CE-CA 3.44Å; Y1015-N1017 PolarHBondContact O-N 2.91Å; N1017-I1019 WeakPolarHBondContact OD1-CA 3.48Å; N1017-I1019 WeakPolarHBondContact OD1-CB 3.36Å; N1017-I1019 PolarHBondContact OD1-N 2.73Å; N1017-I1020 WeakPolarHBondContact ND2-CD1 3.37Å; N1017-I1020 PolarHBondContact O-N 2.89Å; N1017-I1020 WeakPolarHBondContact OD1-CG1 3.36Å; N1017-I1020 PolarHBondContact OD1-N 3.18Å
1018	E	91.4	Very high	90.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68.8	-27.2	179.6	76.2	-62.9	158	0	0	113.9	L852 Y870 R890 M891 I1021 I1022	L852-E1018 HydrophobicContact CD2-CB 4.2Å; Y870-E1018 HydrophobicContact CE1-CG 4.26Å; Y870-E1018 HydrophobicContact CE2-CB 4.23Å; R890-E1018 IonicContact CZ-OE1 2.69Å; R890-E1018 IonicContact CZ-OE2 3.63Å; R890-E1018 IonicContact NE-OE1 2.75Å; R890-E1018 IonicContact NH1-OE1 3.98Å; R890-E1018 PolarHBondContact NH1-OE1 3.14Å; R890-E1018 IonicContact NH1-OE2 2.71Å; R890-E1018 PolarHBondContact NH1-OE2 2.65Å; R890-E1018 IonicContact NH2-OE2 3.2Å; M891-E1018 HydrophobicContact CE-CG 4.15Å; E1018-I1021 PolarHBondContact O-N 3.1Å; E1018-I1022 WeakPolarHBondContact O-CG1 3.34Å; E1018-I1022 PolarHBondContact O-N 3.22Å; E1018-I1022 VanDerWaalsContact O-N 3.09Å
1019	I	92.9	Very high	90.7	Very high	23 Å²	23	39.3 Å²	39.3	12%	0.118	21%	0.207	C	C	.	.	H	α-helix	trans	-66.3	-39.6	176.7	-73.6	173.7	0	0	0	111.2	P888 R890 N1017 I1021 I1022 R1023	P888-I1019 HydrophobicContact CG-CG1 4.47Å; P888-I1019 HydrophobicContact CG-CG2 3.82Å; P888-I1019 WeakPolarHBondContact O-CD1 3.39Å; R890-I1019 HydrophobicContact CG-CD1 4.13Å; N1017-I1019 WeakPolarHBondContact OD1-CA 3.48Å; N1017-I1019 WeakPolarHBondContact OD1-CB 3.36Å; N1017-I1019 PolarHBondContact OD1-N 2.73Å; I1019-I1021 VanDerWaalsContact C-N 3.28Å; I1019-I1021 PolarHBondContact O-N 3.22Å; I1019-I1022 PolarHBondContact O-N 3.24Å; I1019-I1022 VanDerWaalsContact O-N 3.15Å; I1019-R1023 HydrophobicContact CG2-CG 4.35Å; I1019-R1023 WeakPolarHBondContact O-CG 3.32Å; I1019-R1023 PolarHBondContact O-N 3.4Å
1020	I	92.8	Very high	91.2	Very high	54 Å²	54	37.1 Å²	37.1	28%	0.277	20%	0.195	S	C	.	.	H	α-helix	trans	-65.2	-34.8	178.1	-63.9	164.6	0	0	0	110.8	Y1015 P1016 N1017 R1023 E1024	Y1015-I1020 HydrophobicContact CD1-CG2 4.07Å; P1016-I1020 HydrophobicContact CB-CD1 3.96Å; P1016-I1020 HydrophobicContact CG-CD1 3.89Å; N1017-I1020 WeakPolarHBondContact ND2-CD1 3.37Å; N1017-I1020 PolarHBondContact O-N 2.89Å; N1017-I1020 WeakPolarHBondContact OD1-CG1 3.36Å; N1017-I1020 PolarHBondContact OD1-N 3.18Å; I1020-R1023 PolarHBondContact O-N 2.96Å; I1020-E1024 WeakPolarHBondContact O-CB 3.38Å; I1020-E1024 PolarHBondContact O-N 3.28Å; I1020-E1024 VanDerWaalsContact O-N 3.08Å
1021	I	94	Very high	91.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-44.1	172.3	-65.1	170.6	0	0	0	110.6	V721 V851 L852 M1003 Y1015 E1018 I1019 F1025	V721-I1021 HydrophobicContact CG2-CG2 4.07Å; V851-I1021 HydrophobicContact CG1-CG2 3.73Å; L852-I1021 HydrophobicContact CD1-CB 4.33Å; L852-I1021 HydrophobicContact CD1-CG2 3.96Å; L852-I1021 HydrophobicContact CD2-CB 4.48Å; L852-I1021 HydrophobicContact CD2-CD1 4.06Å; L852-I1021 HydrophobicContact CD2-CG2 4.16Å; L852-I1021 HydrophobicContact CG-CG2 3.95Å; M1003-I1021 HydrophobicContact CB-CD1 4.37Å; M1003-I1021 HydrophobicContact SD-CD1 4.2Å; Y1015-I1021 HydrophobicContact CD1-CB 4.49Å; Y1015-I1021 HydrophobicContact CD1-CG1 3.48Å; Y1015-I1021 VanDerWaalsContact CD1-CG1 3.48Å; Y1015-I1021 HydrophobicContact CD2-CG1 4.37Å; Y1015-I1021 HydrophobicContact CE1-CG1 4.24Å; Y1015-I1021 HydrophobicContact CG-CD1 4.12Å; Y1015-I1021 HydrophobicContact CG-CG1 3.57Å; E1018-I1021 PolarHBondContact O-N 3.1Å; I1019-I1021 VanDerWaalsContact C-N 3.28Å; I1019-I1021 PolarHBondContact O-N 3.22Å; I1021-F1025 WeakPolarHBondContact O-CB 3.3Å; I1021-F1025 PolarHBondContact O-N 2.94Å
1022	I	94.3	Very high	92.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.3	-41.9	177	-63.7	171.3	0	0	0	111.2	L852 N878 L879 M882 M891 E1018 I1019 Y1026	L852-I1022 HydrophobicContact CD1-CD1 4.08Å; L852-I1022 HydrophobicContact CD1-CG1 3.51Å; N878-I1022 HydrophobicContact CB-CD1 4.48Å; L879-I1022 HydrophobicContact CD2-CG2 4.22Å; M882-I1022 HydrophobicContact SD-CG2 3.71Å; M891-I1022 HydrophobicContact CE-CD1 3.76Å; M891-I1022 HydrophobicContact SD-CD1 4.4Å; E1018-I1022 WeakPolarHBondContact O-CG1 3.34Å; E1018-I1022 PolarHBondContact O-N 3.22Å; E1018-I1022 VanDerWaalsContact O-N 3.09Å; I1019-I1022 PolarHBondContact O-N 3.24Å; I1019-I1022 VanDerWaalsContact O-N 3.15Å; I1022-Y1026 WeakPolarHBondContact O-CB 3.49Å; I1022-Y1026 PolarHBondContact O-N 2.99Å
1023	R	94	Very high	92.6	Very high	93 Å²	93	36.7 Å²	36.7	35%	0.351	19%	0.185	S	C	.	.	H	α-helix	trans	-63.5	-52	179.7	-72.6	-179.8	178.6	-165.2	-0.6	112.7	M882 E887 I1019 I1020 F1025 Y1026 E1027	M882-R1023 HydrophobicContact CE-CG 3.97Å; E887-R1023 IonicContact OE1-CZ 2.71Å; E887-R1023 IonicContact OE1-NH2 2.69Å; E887-R1023 PolarHBondContact OE1-NH2 3.46Å; E887-R1023 IonicContact OE2-CZ 3.58Å; E887-R1023 IonicContact OE2-NE 3.46Å; E887-R1023 IonicContact OE2-NH2 3.58Å; E887-R1023 PolarHBondContact OE2-NH2 3.04Å; I1019-R1023 HydrophobicContact CG2-CG 4.35Å; I1019-R1023 WeakPolarHBondContact O-CG 3.32Å; I1019-R1023 PolarHBondContact O-N 3.4Å; I1020-R1023 PolarHBondContact O-N 2.96Å; R1023-F1025 VanDerWaalsContact C-N 3.29Å; R1023-F1025 PolarHBondContact O-N 2.88Å; R1023-Y1026 WeakPolarHBondContact O-CB 3.34Å; R1023-Y1026 PolarHBondContact O-N 2.81Å; R1023-E1027 WeakPolarHBondContact O-CG 3.37Å; R1023-E1027 PolarHBondContact O-N 2.83Å
1024	E	93.1	Very high	92.8	Very high	26 Å²	26	37.1 Å²	37.1	12%	0.121	19%	0.188	C	C	.	.	H	α-helix	trans	-63.7	-36.6	179.6	-170.9	172.9	120.6	0	0	111.9	K1013 Y1015 I1020 L1028	K1013-E1024 WeakPolarHBondContact CE-OE2 3.42Å; K1013-E1024 IonicContact NZ-OE2 2.62Å; K1013-E1024 PolarHBondContact NZ-OE2 2.9Å; Y1015-E1024 WeakPolarHBondContact CE1-OE1 3.47Å; Y1015-E1024 WeakPolarHBondContact CE1-OE2 3.31Å; Y1015-E1024 PolarHBondContact OH-OE1 3.32Å; I1020-E1024 WeakPolarHBondContact O-CB 3.38Å; I1020-E1024 PolarHBondContact O-N 3.28Å; I1020-E1024 VanDerWaalsContact O-N 3.08Å; E1024-L1028 WeakPolarHBondContact O-CB 3.44Å; E1024-L1028 PolarHBondContact O-N 3.05Å
1025	F	95.1	Very high	92.9	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.018	18%	0.178	C	C	.	.	H	α-helix	trans	-64.6	-40.7	170.1	178	-92.2	0	0	0	112.5	V722 P846 I848 P849 L879 I1021 R1023 R1029 W1170	V722-F1025 WeakPolarHBondContact O-CE2 3.33Å; P846-F1025 HydrophobicContact CG-CE2 3.84Å; P846-F1025 HydrophobicContact CG-CZ 4.15Å; P846-F1025 WeakPolarHBondContact O-CZ 3.38Å; I848-F1025 WeakPolarHBondContact O-CZ 3.33Å; P849-F1025 HydrophobicContact CB-CB 4.24Å; P849-F1025 HydrophobicContact CB-CD1 3.89Å; P849-F1025 HydrophobicContact CB-CD2 4.01Å; P849-F1025 HydrophobicContact CB-CE1 4.28Å; P849-F1025 HydrophobicContact CB-CE2 4.4Å; P849-F1025 HydrophobicContact CB-CG 3.75Å; P849-F1025 HydrophobicContact CG-CD1 4.14Å; P849-F1025 HydrophobicContact CG-CE1 4.43Å; P849-F1025 HydrophobicContact CG-CG 4.47Å; L879-F1025 HydrophobicContact CD2-CD1 4.49Å; I1021-F1025 WeakPolarHBondContact O-CB 3.3Å; I1021-F1025 PolarHBondContact O-N 2.94Å; R1023-F1025 VanDerWaalsContact C-N 3.29Å; R1023-F1025 PolarHBondContact O-N 2.88Å; F1025-R1029 HydrophobicContact CE1-CB 4.14Å; F1025-R1029 HydrophobicContact CE1-CG 4.37Å; F1025-R1029 HydrophobicContact CZ-CB 4.29Å; F1025-R1029 HydrophobicContact CZ-CG 4.34Å; F1025-R1029 VanDerWaalsContact O-CB 3.23Å; F1025-R1029 WeakPolarHBondContact O-CB 3.41Å; F1025-R1029 PolarHBondContact O-N 2.96Å; F1025-W1170 HydrophobicContact CE1-CZ2 4.17Å
1026	Y	95.2	Very high	92.9	Very high	33 Å²	33	36.8 Å²	36.8	13%	0.129	18%	0.179	C	C	.	.	H	α-helix	trans	-67.7	-48.8	-176.5	171.3	-86.3	0	0	0	112.3	L879 M882 L883 I1022 R1023 L1028 R1029 L1030 W1170	L879-Y1026 HydrophobicContact CD2-CD2 4.25Å; M882-Y1026 HydrophobicContact CB-CD2 3.77Å; M882-Y1026 HydrophobicContact CB-CE2 3.58Å; M882-Y1026 HydrophobicContact CB-CG 4.36Å; M882-Y1026 HydrophobicContact CE-CD1 3.6Å; M882-Y1026 HydrophobicContact CE-CD2 4.11Å; M882-Y1026 HydrophobicContact CE-CE1 4.21Å; M882-Y1026 HydrophobicContact CE-CG 3.56Å; M882-Y1026 PolarHBondContact O-OH 2.69Å; M882-Y1026 HydrophobicContact SD-CD2 4.35Å; M882-Y1026 HydrophobicContact SD-CG 4.24Å; L883-Y1026 HydrophobicContact CD2-CE2 3.8Å; L883-Y1026 HydrophobicContact CG-CE2 3.95Å; I1022-Y1026 WeakPolarHBondContact O-CB 3.49Å; I1022-Y1026 PolarHBondContact O-N 2.99Å; R1023-Y1026 WeakPolarHBondContact O-CB 3.34Å; R1023-Y1026 PolarHBondContact O-N 2.81Å; Y1026-L1028 PolarHBondContact O-N 3.42Å; Y1026-R1029 PolarHBondContact O-N 3.41Å; Y1026-L1030 HydrophobicContact CE1-CD2 4.45Å; Y1026-L1030 WeakPolarHBondContact O-CB 3.42Å; Y1026-L1030 PolarHBondContact O-N 2.87Å; Y1026-W1170 AromaticContact CD2-CH2 3.48Å; Y1026-W1170 HydrophobicContact CD2-CH2 3.48Å; Y1026-W1170 VanDerWaalsContact CD2-CH2 3.48Å; Y1026-W1170 AromaticContact CD2-CZ3 3.56Å; Y1026-W1170 HydrophobicContact CD2-CZ3 3.56Å; Y1026-W1170 HydrophobicContact CE2-CH2 4.08Å; Y1026-W1170 AromaticContact CE2-CZ3 3.71Å; Y1026-W1170 HydrophobicContact CE2-CZ3 3.71Å; Y1026-W1170 HydrophobicContact CG-CH2 4.15Å; Y1026-W1170 HydrophobicContact CG-CZ3 4.26Å
1027	E	93.4	Very high	93.1	Very high	120 Å²	120	35.4 Å²	35.4	56%	0.561	17%	0.166	S	C	*	.	H	α-helix	trans	-57.5	-50.4	177.1	-70.6	157.1	-159.7	0	0	110.1	R1023 R1029 L1030 T1031	R1023-E1027 WeakPolarHBondContact O-CG 3.37Å; R1023-E1027 PolarHBondContact O-N 2.83Å; E1027-R1029 PolarHBondContact O-N 2.81Å; E1027-L1030 PolarHBondContact O-N 2.92Å; E1027-T1031 PolarHBondContact O-N 3.19Å
1028	L	92.7	Very high	93.1	Very high	33 Å²	33	36.7 Å²	36.7	17%	0.173	18%	0.175	C	C	.	.	H	α-helix	trans	-59	-49.9	175.1	-179.9	65.8	0	0	0	111.7	V722 W843 P1008 E1024 Y1026 L1030 T1031 W1032	V722-L1028 HydrophobicContact CB-CD2 4.15Å; V722-L1028 HydrophobicContact CG1-CD2 3.62Å; V722-L1028 HydrophobicContact CG2-CD2 3.41Å; V722-L1028 VanDerWaalsContact CG2-CD2 3.41Å; W843-L1028 HydrophobicContact CH2-CD1 4.32Å; W843-L1028 HydrophobicContact CH2-CD2 4.2Å; P1008-L1028 HydrophobicContact CB-CD2 4.2Å; P1008-L1028 HydrophobicContact CG-CD2 3.81Å; E1024-L1028 WeakPolarHBondContact O-CB 3.44Å; E1024-L1028 PolarHBondContact O-N 3.05Å; Y1026-L1028 PolarHBondContact O-N 3.42Å; L1028-L1030 VanDerWaalsContact C-N 3.29Å; L1028-L1030 PolarHBondContact O-N 3.39Å; L1028-T1031 PolarHBondContact O-N 3.16Å; L1028-T1031 PolarHBondContact O-OG1 3.24Å; L1028-W1032 PolarHBondContact O-N 2.88Å
1029	R	95	Very high	93	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.019	18%	0.18	C	C	.	.	H	α-helix	trans	-66.5	-31.7	-174	-171.8	44.8	154.8	152.5	-14	112.4	D825 A845 P846 F1025 Y1026 E1027 W1032 Y1033 W1170	D825-R1029 IonicContact OD1-CZ 2.65Å; D825-R1029 IonicContact OD1-NH1 2.76Å; D825-R1029 PolarHBondContact OD1-NH1 3Å; D825-R1029 IonicContact OD1-NH2 2.8Å; D825-R1029 IonicContact OD2-CZ 3.83Å; D825-R1029 IonicContact OD2-NH1 2.92Å; D825-R1029 PolarHBondContact OD2-NH1 3.23Å; D825-R1029 IonicContact OD2-NH2 2.7Å; D825-R1029 PolarHBondContact OD2-NH2 2.89Å; A845-R1029 PolarHBondContact O-NH2 2.74Å; P846-R1029 PolarHBondContact O-NE 2.82Å; P846-R1029 PolarHBondContact O-NH2 2.81Å; F1025-R1029 HydrophobicContact CE1-CB 4.14Å; F1025-R1029 HydrophobicContact CE1-CG 4.37Å; F1025-R1029 HydrophobicContact CZ-CB 4.29Å; F1025-R1029 HydrophobicContact CZ-CG 4.34Å; F1025-R1029 VanDerWaalsContact O-CB 3.23Å; F1025-R1029 WeakPolarHBondContact O-CB 3.41Å; F1025-R1029 PolarHBondContact O-N 2.96Å; Y1026-R1029 PolarHBondContact O-N 3.41Å; E1027-R1029 PolarHBondContact O-N 2.81Å; R1029-W1032 WeakPolarHBondContact O-CB 3.38Å; R1029-W1032 PolarHBondContact O-N 3.36Å; R1029-W1032 VanDerWaalsContact O-N 3.14Å; R1029-Y1033 HydrophobicContact CG-CD2 4.07Å; R1029-Y1033 HydrophobicContact CG-CE2 3.85Å; R1029-Y1033 WeakPolarHBondContact O-CD2 3.48Å; R1029-Y1033 PolarHBondContact O-N 3.41Å; R1029-W1170 HydrophobicContact CB-CH2 3.77Å; R1029-W1170 HydrophobicContact CB-CZ2 4Å; R1029-W1170 HydrophobicContact CB-CZ3 4.17Å; R1029-W1170 HydrophobicContact CG-CD2 4.34Å; R1029-W1170 HydrophobicContact CG-CE3 4.48Å; R1029-W1170 HydrophobicContact CG-CH2 3.95Å; R1029-W1170 HydrophobicContact CG-CZ2 3.71Å; R1029-W1170 HydrophobicContact CG-CZ3 4.31Å
1030	L	93.3	Very high	92.9	Very high	40 Å²	40	38.5 Å²	38.5	21%	0.209	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-45.8	173.9	-170	60.6	0	0	0	111.8	Y1026 E1027 L1028 W1032 Y1033 E1034 P1166 W1170	Y1026-L1030 HydrophobicContact CE1-CD2 4.45Å; Y1026-L1030 WeakPolarHBondContact O-CB 3.42Å; Y1026-L1030 PolarHBondContact O-N 2.87Å; E1027-L1030 PolarHBondContact O-N 2.92Å; L1028-L1030 VanDerWaalsContact C-N 3.29Å; L1028-L1030 PolarHBondContact O-N 3.39Å; L1030-W1032 PolarHBondContact O-N 2.99Å; L1030-Y1033 PolarHBondContact O-N 3.27Å; L1030-E1034 PolarHBondContact O-N 3.06Å; L1030-E1034 VanDerWaalsContact O-N 3.08Å; L1030-P1166 HydrophobicContact CD1-CB 4.17Å; L1030-W1170 HydrophobicContact CB-CZ3 4.37Å; L1030-W1170 HydrophobicContact CD1-CE3 4.46Å
1031	T	93.1	Very high	92.8	Very high	55 Å²	55	38 Å²	38	34%	0.337	18%	0.179	S	C	.	.	H	α-helix	trans	-62.1	-27.1	174.1	69.8	0	0	0	0	112.9	E1027 L1028 E1034 K1035	E1027-T1031 PolarHBondContact O-N 3.19Å; L1028-T1031 PolarHBondContact O-N 3.16Å; L1028-T1031 PolarHBondContact O-OG1 3.24Å; T1031-E1034 WeakPolarHBondContact O-CB 3.44Å; T1031-E1034 PolarHBondContact O-N 3.03Å; T1031-K1035 WeakPolarHBondContact O-CG 3.46Å; T1031-K1035 PolarHBondContact O-N 3.32Å
1032	W	92.1	Very high	92.5	Very high	23 Å²	23	38.2 Å²	38.2	9%	0.087	18%	0.181	C	C	.	.	H	α-helix	trans	-75.4	-31	173.3	-84.7	69.9	0	0	0	113.3	L828 L829 W843 A845 L1028 R1029 L1030 E1034 R1036	L828-W1032 HydrophobicContact CB-CH2 4.35Å; L828-W1032 HydrophobicContact CB-CZ3 3.76Å; L828-W1032 VanDerWaalsContact O-CH2 3.24Å; L828-W1032 WeakPolarHBondContact O-CH2 3.45Å; L829-W1032 HydrophobicContact CD2-CH2 3.85Å; L829-W1032 HydrophobicContact CD2-CZ3 3.68Å; W843-W1032 AromaticContact CH2-CE2 3.6Å; W843-W1032 HydrophobicContact CH2-CH2 4.47Å; W843-W1032 AromaticContact CH2-CZ2 3.43Å; W843-W1032 HydrophobicContact CH2-CZ2 3.43Å; W843-W1032 VanDerWaalsContact CH2-CZ2 3.43Å; W843-W1032 AromaticContact CH2-NE1 3.51Å; W843-W1032 HydrophobicContact CZ3-CD2 4.47Å; W843-W1032 AromaticContact CZ3-CE2 3.66Å; W843-W1032 HydrophobicContact CZ3-CH2 4.18Å; W843-W1032 AromaticContact CZ3-CZ2 3.49Å; W843-W1032 HydrophobicContact CZ3-CZ2 3.49Å; W843-W1032 VanDerWaalsContact CZ3-CZ2 3.49Å; W843-W1032 AromaticContact CZ3-NE1 3.9Å; A845-W1032 HydrophobicContact CB-CD2 3.98Å; A845-W1032 HydrophobicContact CB-CE3 3.72Å; A845-W1032 HydrophobicContact CB-CG 4.43Å; A845-W1032 HydrophobicContact CB-CZ3 4.21Å; L1028-W1032 PolarHBondContact O-N 2.88Å; R1029-W1032 WeakPolarHBondContact O-CB 3.38Å; R1029-W1032 PolarHBondContact O-N 3.36Å; R1029-W1032 VanDerWaalsContact O-N 3.14Å; L1030-W1032 PolarHBondContact O-N 2.99Å; W1032-E1034 VanDerWaalsContact C-N 3.32Å; W1032-R1036 VanDerWaalsContact O-CB 3.25Å; W1032-R1036 WeakPolarHBondContact O-CB 3.49Å; W1032-R1036 PolarHBondContact O-N 2.89Å
1033	Y	94.3	Very high	92.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.6	-29.8	168.6	-84.3	-82.1	0	0	0	112.5	I847 R1029 L1030 R1036 K1037 L1169 W1170 D1173	I847-Y1033 WeakPolarHBondContact CG2-OH 3.44Å; R1029-Y1033 HydrophobicContact CG-CD2 4.07Å; R1029-Y1033 HydrophobicContact CG-CE2 3.85Å; R1029-Y1033 WeakPolarHBondContact O-CD2 3.48Å; R1029-Y1033 PolarHBondContact O-N 3.41Å; L1030-Y1033 PolarHBondContact O-N 3.27Å; Y1033-R1036 VanDerWaalsContact CE1-NH1 3.31Å; Y1033-K1037 VanDerWaalsContact O-CB 3.27Å; Y1033-K1037 WeakPolarHBondContact O-CB 3.48Å; Y1033-K1037 PolarHBondContact O-N 3.37Å; Y1033-L1169 HydrophobicContact CD1-CB 3.71Å; Y1033-L1169 HydrophobicContact CE1-CB 4.02Å; Y1033-W1170 HydrophobicContact CD1-CB 4.18Å; Y1033-W1170 HydrophobicContact CD2-CB 3.76Å; Y1033-W1170 AromaticContact CD2-CD2 3.88Å; Y1033-W1170 HydrophobicContact CD2-CD2 3.88Å; Y1033-W1170 HydrophobicContact CD2-CE3 4.08Å; Y1033-W1170 AromaticContact CD2-CG 3.74Å; Y1033-W1170 HydrophobicContact CD2-CG 3.74Å; Y1033-W1170 HydrophobicContact CE1-CB 3.92Å; Y1033-W1170 HydrophobicContact CE1-CG 4.38Å; Y1033-W1170 HydrophobicContact CE2-CB 3.51Å; Y1033-W1170 AromaticContact CE2-CD1 3.36Å; Y1033-W1170 AromaticContact CE2-CD2 3.56Å; Y1033-W1170 HydrophobicContact CE2-CD2 3.56Å; Y1033-W1170 HydrophobicContact CE2-CE3 4.22Å; Y1033-W1170 AromaticContact CE2-CG 3.17Å; Y1033-W1170 HydrophobicContact CE2-CG 3.17Å; Y1033-W1170 AromaticContact CE2-NE1 3.86Å; Y1033-W1170 HydrophobicContact CG-CB 4.1Å; Y1033-W1170 AromaticContact CZ-CD1 3.51Å; Y1033-W1170 AromaticContact CZ-CG 3.55Å; Y1033-D1173 WeakPolarHBondContact OH-CB 3.4Å; Y1033-D1173 PolarHBondContact OH-OD2 3.23Å
1034	E	92.7	Very high	91.9	Very high	96 Å²	96	35.5 Å²	35.5	45%	0.449	17%	0.174	S	C	.	.	H	α-helix	trans	-65.4	-53.9	169.4	-68.5	170.2	165.1	0	0	111.2	L1030 T1031 W1032 R1036 K1037 V1038 P1166	L1030-E1034 PolarHBondContact O-N 3.06Å; L1030-E1034 VanDerWaalsContact O-N 3.08Å; T1031-E1034 WeakPolarHBondContact O-CB 3.44Å; T1031-E1034 PolarHBondContact O-N 3.03Å; W1032-E1034 VanDerWaalsContact C-N 3.32Å; E1034-R1036 VanDerWaalsContact C-N 3.3Å; E1034-R1036 PolarHBondContact O-N 2.81Å; E1034-K1037 PolarHBondContact O-N 2.92Å; E1034-K1037 VanDerWaalsContact O-N 3.11Å; E1034-V1038 WeakPolarHBondContact O-CG2 3.23Å; E1034-V1038 PolarHBondContact O-N 2.92Å; E1034-P1166 HydrophobicContact CG-CB 3.97Å; E1034-P1166 HydrophobicContact CG-CG 3.54Å
1035	K	90.5	Very high	91.8	Very high	58 Å²	58	35.7 Å²	35.7	25%	0.252	18%	0.179	S	C	.	.	H	α-helix	trans	-56.4	-42.9	176	-70.8	178.8	179.7	-179.4	0	111.7	L828 T1031 Y1039 E1425 I1428	L828-K1035 HydrophobicContact CD1-CB 4.24Å; T1031-K1035 WeakPolarHBondContact O-CG 3.46Å; T1031-K1035 PolarHBondContact O-N 3.32Å; K1035-Y1039 WeakPolarHBondContact O-CB 3.46Å; K1035-Y1039 PolarHBondContact O-N 2.84Å; K1035-E1425 IonicContact NZ-OE1 2.67Å; K1035-I1428 HydrophobicContact CB-CD1 4.49Å; K1035-I1428 WeakPolarHBondContact O-CD1 3.3Å
1036	R	92.1	Very high	91.4	Very high	7 Å²	7	35.8 Å²	35.8	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-64.2	-43.3	174.8	-161.7	-153.2	-72.9	175.2	-0.8	112.4	E824 D825 L828 W1032 Y1033 E1034 Y1039 L1040 D1173	E824-R1036 HydrophobicContact CB-CG 4.11Å; D825-R1036 IonicContact OD1-CZ 3.89Å; D825-R1036 IonicContact OD1-NE 3.15Å; D825-R1036 PolarHBondContact OD1-NE 3.36Å; D825-R1036 IonicContact OD1-NH2 3.39Å; D825-R1036 PolarHBondContact OD1-NH2 3.06Å; D825-R1036 IonicContact OD2-CZ 2.93Å; D825-R1036 IonicContact OD2-NE 3.59Å; D825-R1036 IonicContact OD2-NH2 3Å; D825-R1036 PolarHBondContact OD2-NH2 3Å; L828-R1036 HydrophobicContact CD1-CB 4.22Å; W1032-R1036 VanDerWaalsContact O-CB 3.25Å; W1032-R1036 WeakPolarHBondContact O-CB 3.49Å; W1032-R1036 PolarHBondContact O-N 2.89Å; Y1033-R1036 VanDerWaalsContact CE1-NH1 3.31Å; E1034-R1036 VanDerWaalsContact C-N 3.3Å; E1034-R1036 PolarHBondContact O-N 2.81Å; R1036-Y1039 PolarHBondContact O-N 2.82Å; R1036-L1040 HydrophobicContact CG-CD1 3.92Å; R1036-L1040 HydrophobicContact CG-CG 4.35Å; R1036-L1040 WeakPolarHBondContact O-CB 3.02Å; R1036-L1040 VanDerWaalsContact O-CG 3.3Å; R1036-L1040 WeakPolarHBondContact O-CG 3.33Å; R1036-L1040 PolarHBondContact O-N 2.81Å; R1036-D1173 IonicContact CZ-OD2 2.95Å; R1036-D1173 IonicContact NH1-OD2 2.71Å; R1036-D1173 PolarHBondContact NH1-OD2 3.46Å; R1036-D1173 IonicContact NH2-OD2 4Å
1037	K	92.4	Very high	91.1	Very high	36 Å²	36	37.2 Å²	37.2	16%	0.157	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-48.8	177.1	-179.8	176.4	170.2	176.3	0	111.1	Y1033 E1034 Y1039 L1040 E1041 L1161 K1162 K1164 L1169	Y1033-K1037 VanDerWaalsContact O-CB 3.27Å; Y1033-K1037 WeakPolarHBondContact O-CB 3.48Å; Y1033-K1037 PolarHBondContact O-N 3.37Å; E1034-K1037 PolarHBondContact O-N 2.92Å; E1034-K1037 VanDerWaalsContact O-N 3.11Å; K1037-Y1039 PolarHBondContact O-N 3.26Å; K1037-L1040 PolarHBondContact O-N 3.37Å; K1037-E1041 WeakPolarHBondContact CE-OE1 3.15Å; K1037-E1041 IonicContact NZ-OE1 3.12Å; K1037-E1041 WeakPolarHBondContact O-CG 3.39Å; K1037-E1041 PolarHBondContact O-N 3.46Å; K1037-L1161 HydrophobicContact CG-CD1 4.31Å; K1037-K1162 PolarHBondContact NZ-O 2.72Å; K1037-K1164 PolarHBondContact NZ-O 3.09Å; K1037-L1169 HydrophobicContact CB-CD1 3.96Å; K1037-L1169 HydrophobicContact CG-CD1 4.3Å
1038	V	90.7	Very high	90.9	Very high	64 Å²	64	31.7 Å²	31.7	39%	0.388	16%	0.163	S	C	.	.	H	α-helix	trans	-64.6	-40.9	-179.6	-178.3	0	0	0	0	111.3	E1034 E1041 G1042 I1428	E1034-V1038 WeakPolarHBondContact O-CG2 3.23Å; E1034-V1038 PolarHBondContact O-N 2.92Å; V1038-E1041 PolarHBondContact O-N 3.31Å; V1038-G1042 PolarHBondContact O-N 2.71Å; V1038-I1428 HydrophobicContact CB-CD1 4.2Å; V1038-I1428 HydrophobicContact CG1-CB 3.9Å; V1038-I1428 HydrophobicContact CG1-CD1 4.32Å; V1038-I1428 HydrophobicContact CG1-CG2 3.69Å
1039	Y	89.4	Confident	90.7	Very high	30 Å²	30	35.5 Å²	35.5	12%	0.118	18%	0.175	C	C	.	.	H	α-helix	trans	-59.9	-49.8	173.6	172.5	-99.8	0	0	0	112.4	P827 L828 K1035 R1036 K1037 E1041 G1042 V1043 I1097	P827-Y1039 HydrophobicContact CB-CE1 4.18Å; P827-Y1039 HydrophobicContact CB-CE2 3.94Å; P827-Y1039 HydrophobicContact CG-CE1 3.93Å; P827-Y1039 WeakPolarHBondContact CG-OH 3.48Å; L828-Y1039 HydrophobicContact CD1-CG 4.49Å; L828-Y1039 HydrophobicContact CD2-CD2 4.13Å; L828-Y1039 HydrophobicContact CD2-CG 4.12Å; L828-Y1039 HydrophobicContact CG-CG 4.44Å; K1035-Y1039 WeakPolarHBondContact O-CB 3.46Å; K1035-Y1039 PolarHBondContact O-N 2.84Å; R1036-Y1039 PolarHBondContact O-N 2.82Å; K1037-Y1039 PolarHBondContact O-N 3.26Å; Y1039-E1041 PolarHBondContact O-N 3.44Å; Y1039-G1042 PolarHBondContact O-N 2.75Å; Y1039-V1043 HydrophobicContact CD1-CG2 4.36Å; Y1039-V1043 HydrophobicContact CD2-CG2 4.32Å; Y1039-V1043 HydrophobicContact CE1-CG2 3.87Å; Y1039-V1043 HydrophobicContact CE2-CG2 3.82Å; Y1039-V1043 WeakPolarHBondContact O-CG2 3.4Å; Y1039-V1043 PolarHBondContact O-N 2.81Å; Y1039-I1097 HydrophobicContact CD2-CD1 3.97Å; Y1039-I1097 HydrophobicContact CE2-CD1 3.89Å
1040	L	89.9	Confident	90.4	Very high	32 Å²	32	38.5 Å²	38.5	17%	0.168	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-38.8	179.6	-73.6	171.5	0	0	0	112.3	E824 R1036 K1037 G1042 V1043 L1044 L1161	E824-L1040 HydrophobicContact CB-CD1 4.36Å; E824-L1040 HydrophobicContact CB-CD2 4.15Å; E824-L1040 HydrophobicContact CG-CD2 3.95Å; R1036-L1040 HydrophobicContact CG-CD1 3.92Å; R1036-L1040 HydrophobicContact CG-CG 4.35Å; R1036-L1040 WeakPolarHBondContact O-CB 3.02Å; R1036-L1040 VanDerWaalsContact O-CG 3.3Å; R1036-L1040 WeakPolarHBondContact O-CG 3.33Å; R1036-L1040 PolarHBondContact O-N 2.81Å; K1037-L1040 PolarHBondContact O-N 3.37Å; L1040-G1042 VanDerWaalsContact C-N 3.32Å; L1040-G1042 PolarHBondContact O-N 3.28Å; L1040-V1043 PolarHBondContact O-N 3.28Å; L1040-L1044 WeakPolarHBondContact O-CB 3.49Å; L1040-L1044 WeakPolarHBondContact O-CG 3.45Å; L1040-L1044 PolarHBondContact O-N 2.91Å; L1040-L1161 HydrophobicContact CB-CD2 3.48Å; L1040-L1161 VanDerWaalsContact CB-CD2 3.48Å
1041	E	91	Very high	90.2	Very high	44 Å²	44	37.6 Å²	37.6	21%	0.206	18%	0.184	C	C	.	.	H	α-helix	trans	-62.4	-40	172.9	-78.4	-167.2	-157.4	0	0	112	K1037 V1038 Y1039 S1045 L1158 L1161 K1162	K1037-E1041 WeakPolarHBondContact CE-OE1 3.15Å; K1037-E1041 IonicContact NZ-OE1 3.12Å; K1037-E1041 WeakPolarHBondContact O-CG 3.39Å; K1037-E1041 PolarHBondContact O-N 3.46Å; V1038-E1041 PolarHBondContact O-N 3.31Å; Y1039-E1041 PolarHBondContact O-N 3.44Å; E1041-S1045 WeakPolarHBondContact O-CB 3.39Å; E1041-S1045 PolarHBondContact O-N 3.03Å; E1041-L1158 HydrophobicContact CB-CD1 4.24Å; E1041-L1158 HydrophobicContact CG-CD1 4.27Å; E1041-L1161 HydrophobicContact CB-CD2 4.35Å; E1041-L1161 HydrophobicContact CG-CD2 3.63Å; E1041-L1161 HydrophobicContact CG-CG 3.94Å; E1041-K1162 HydrophobicContact CG-CG 4.09Å; E1041-K1162 VanDerWaalsContact OE1-CG 3.3Å; E1041-K1162 WeakPolarHBondContact OE1-CG 3.46Å; E1041-K1162 WeakPolarHBondContact OE2-CE 3.33Å; E1041-K1162 WeakPolarHBondContact OE2-CG 3.38Å
1042	G	87.8	Confident	90.1	Very high	3 Å²	3	39.2 Å²	39.2	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-65	-45.4	175.3	0	0	0	0	0	113.1	V1038 Y1039 L1040 S1045 A1046	V1038-G1042 PolarHBondContact O-N 2.71Å; Y1039-G1042 PolarHBondContact O-N 2.75Å; L1040-G1042 VanDerWaalsContact C-N 3.32Å; L1040-G1042 PolarHBondContact O-N 3.28Å; G1042-S1045 PolarHBondContact O-N 3.01Å; G1042-A1046 WeakPolarHBondContact O-CB 3.18Å; G1042-A1046 PolarHBondContact O-N 2.9Å
1043	V	87.4	Confident	89.9	Confident	26 Å²	26	38.6 Å²	38.6	16%	0.158	19%	0.186	C	C	.	.	H	α-helix	trans	-63.1	-51.6	176.4	172.7	0	0	0	0	111.1	Y1039 L1040 S1045 A1046 E1047	Y1039-V1043 HydrophobicContact CD1-CG2 4.36Å; Y1039-V1043 HydrophobicContact CD2-CG2 4.32Å; Y1039-V1043 HydrophobicContact CE1-CG2 3.87Å; Y1039-V1043 HydrophobicContact CE2-CG2 3.82Å; Y1039-V1043 WeakPolarHBondContact O-CG2 3.4Å; Y1039-V1043 PolarHBondContact O-N 2.81Å; L1040-V1043 PolarHBondContact O-N 3.28Å; V1043-S1045 VanDerWaalsContact C-N 3.31Å; V1043-S1045 PolarHBondContact O-N 3.19Å; V1043-A1046 WeakPolarHBondContact O-CB 3.3Å; V1043-A1046 PolarHBondContact O-N 2.93Å; V1043-A1046 VanDerWaalsContact O-N 3.11Å; V1043-E1047 HydrophobicContact CG1-CG 4.4Å; V1043-E1047 WeakPolarHBondContact O-CG 3.41Å; V1043-E1047 PolarHBondContact O-N 2.81Å
1044	L	89	Confident	89.7	Confident	11 Å²	11	39.9 Å²	39.9	6%	0.058	19%	0.192	C	C	.	.	H	α-helix	trans	-64.6	-34.2	179.7	-69.3	178.6	0	0	0	112.4	L1040 A1048 K1154 E1157 L1158 L1161	L1040-L1044 WeakPolarHBondContact O-CB 3.49Å; L1040-L1044 WeakPolarHBondContact O-CG 3.45Å; L1040-L1044 PolarHBondContact O-N 2.91Å; L1044-A1048 WeakPolarHBondContact O-CB 3.38Å; L1044-A1048 PolarHBondContact O-N 3.07Å; L1044-K1154 HydrophobicContact CD2-CD 3.91Å; L1044-K1154 VanDerWaalsContact CD2-NZ 3.31Å; L1044-E1157 HydrophobicContact CD1-CB 4.43Å; L1044-E1157 HydrophobicContact CD1-CG 3.83Å; L1044-E1157 VanDerWaalsContact CD2-CD 3.49Å; L1044-E1157 HydrophobicContact CD2-CG 4.27Å; L1044-E1157 VanDerWaalsContact CD2-OE2 3.26Å; L1044-E1157 WeakPolarHBondContact CD2-OE2 3.15Å; L1044-L1158 HydrophobicContact CB-CB 4.2Å; L1044-L1158 HydrophobicContact CB-CD1 3.97Å; L1044-L1161 HydrophobicContact CD1-CB 4.45Å; L1044-L1161 HydrophobicContact CD1-CD2 3.84Å
1045	S	90.3	Very high	89.4	Confident	30 Å²	30	35.5 Å²	35.5	21%	0.21	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-43	171.3	-179.2	0	0	0	0	111.9	E1041 G1042 V1043 R1049	E1041-S1045 WeakPolarHBondContact O-CB 3.39Å; E1041-S1045 PolarHBondContact O-N 3.03Å; G1042-S1045 PolarHBondContact O-N 3.01Å; V1043-S1045 VanDerWaalsContact C-N 3.31Å; V1043-S1045 PolarHBondContact O-N 3.19Å; S1045-R1049 WeakPolarHBondContact O-CB 3.4Å; S1045-R1049 WeakPolarHBondContact O-CG 3.32Å; S1045-R1049 PolarHBondContact O-N 3.21Å
1046	A	88	Confident	89.4	Confident	6 Å²	6	36.6 Å²	36.6	5%	0.05	17%	0.174	C	C	.	.	H	α-helix	trans	-68.5	-39.2	176.8	0	0	0	0	0	112.7	G1042 V1043 K1050 V1090 W1093	G1042-A1046 WeakPolarHBondContact O-CB 3.18Å; G1042-A1046 PolarHBondContact O-N 2.9Å; V1043-A1046 WeakPolarHBondContact O-CB 3.3Å; V1043-A1046 PolarHBondContact O-N 2.93Å; V1043-A1046 VanDerWaalsContact O-N 3.11Å; A1046-K1050 WeakPolarHBondContact O-CB 3.47Å; A1046-K1050 PolarHBondContact O-N 3.21Å; A1046-V1090 HydrophobicContact CB-CG2 3.98Å; A1046-W1093 HydrophobicContact CB-CB 3.92Å; A1046-W1093 HydrophobicContact CB-CG 4.32Å
1047	E	88	Confident	89.2	Confident	62 Å²	62	37 Å²	37	29%	0.29	18%	0.176	S	C	.	.	H	α-helix	trans	-66	-46.4	173.9	-72.6	-174.7	165.3	0	0	112	V1043 R1049 K1050 L1051 V1090 K1154	V1043-E1047 HydrophobicContact CG1-CG 4.4Å; V1043-E1047 WeakPolarHBondContact O-CG 3.41Å; V1043-E1047 PolarHBondContact O-N 2.81Å; E1047-R1049 VanDerWaalsContact C-N 3.34Å; E1047-R1049 PolarHBondContact O-N 3.21Å; E1047-K1050 WeakPolarHBondContact O-CB 3.29Å; E1047-K1050 PolarHBondContact O-N 2.77Å; E1047-K1050 VanDerWaalsContact O-N 3.11Å; E1047-L1051 PolarHBondContact O-N 2.78Å; E1047-V1090 HydrophobicContact CG-CG2 4.14Å; E1047-K1154 HydrophobicContact CB-CD 4.32Å; E1047-K1154 WeakPolarHBondContact OE2-CD 3.28Å; E1047-K1154 VanDerWaalsContact OE2-CE 3.25Å; E1047-K1154 WeakPolarHBondContact OE2-CE 3.43Å; E1047-K1154 IonicContact OE2-NZ 3.61Å; E1047-K1154 PolarHBondContact OE2-NZ 2.78Å
1048	A	89	Confident	88.9	Confident	5 Å²	5	35.3 Å²	35.3	4%	0.041	17%	0.169	C	C	.	.	H	α-helix	trans	-59.1	-44.6	175.6	0	0	0	0	0	111.1	L1044 K1050 L1051 E1052 Q1155	L1044-A1048 WeakPolarHBondContact O-CB 3.38Å; L1044-A1048 PolarHBondContact O-N 3.07Å; A1048-K1050 PolarHBondContact O-N 2.61Å; A1048-L1051 PolarHBondContact O-N 3.35Å; A1048-E1052 WeakPolarHBondContact O-CB 3.37Å; A1048-E1052 PolarHBondContact O-N 2.8Å; A1048-Q1155 HydrophobicContact CB-CG 4.05Å
1049	R	88.2	Confident	88.7	Confident	112 Å²	112	34.7 Å²	34.7	42%	0.423	16%	0.163	S	C	.	.	H	α-helix	trans	-63.3	-38.3	173.1	-76.7	172.9	69.5	168.9	6.5	112.6	S1045 E1047 E1052 N1053 D1086 P1089	S1045-R1049 WeakPolarHBondContact O-CB 3.4Å; S1045-R1049 WeakPolarHBondContact O-CG 3.32Å; S1045-R1049 PolarHBondContact O-N 3.21Å; E1047-R1049 VanDerWaalsContact C-N 3.34Å; E1047-R1049 PolarHBondContact O-N 3.21Å; R1049-E1052 PolarHBondContact O-N 2.96Å; R1049-N1053 WeakPolarHBondContact O-CB 3.26Å; R1049-N1053 PolarHBondContact O-N 2.83Å; R1049-N1053 PolarHBondContact O-ND2 2.69Å; R1049-D1086 IonicContact CZ-OD1 3.09Å; R1049-D1086 IonicContact CZ-OD2 3.5Å; R1049-D1086 IonicContact NE-OD2 3.76Å; R1049-D1086 PolarHBondContact NE-OD2 2.63Å; R1049-D1086 IonicContact NH2-OD1 3.86Å; R1049-D1086 PolarHBondContact NH2-OD1 3.04Å; R1049-D1086 IonicContact NH2-OD2 2.74Å; R1049-D1086 PolarHBondContact NH2-OD2 2.87Å; R1049-D1086 VanDerWaalsContact NH2-OD2 3.09Å; R1049-P1089 HydrophobicContact CB-CB 4.08Å; R1049-P1089 HydrophobicContact CB-CG 3.95Å
1050	K	89	Confident	88.6	Confident	68 Å²	68	34.7 Å²	34.7	30%	0.296	16%	0.164	S	C	.	.	H	α-helix	trans	-61.4	-50.2	176.8	-173.4	-177.3	174	-174.6	0	110.8	A1046 E1047 A1048 N1053 Q1054 P1089 V1090 Y1130	A1046-K1050 WeakPolarHBondContact O-CB 3.47Å; A1046-K1050 PolarHBondContact O-N 3.21Å; E1047-K1050 WeakPolarHBondContact O-CB 3.29Å; E1047-K1050 PolarHBondContact O-N 2.77Å; E1047-K1050 VanDerWaalsContact O-N 3.11Å; A1048-K1050 PolarHBondContact O-N 2.61Å; K1050-N1053 PolarHBondContact O-N 3.46Å; K1050-Q1054 WeakPolarHBondContact O-CG 3.5Å; K1050-Q1054 PolarHBondContact O-N 2.8Å; K1050-P1089 HydrophobicContact CB-CG 3.98Å; K1050-V1090 HydrophobicContact CB-CG2 4.18Å; K1050-V1090 HydrophobicContact CD-CG2 3.86Å; K1050-Y1130 HydrophobicContact CG-CD2 3.63Å; K1050-Y1130 HydrophobicContact CG-CE2 3.99Å; K1050-Y1130 HydrophobicContact CG-CG 4.44Å
1051	L	89.5	Confident	88.4	Confident	22 Å²	22	34.5 Å²	34.5	12%	0.115	16%	0.162	C	C	.	.	H	α-helix	trans	-66.5	-38.7	178.1	-71.9	166.6	0	0	0	112.1	E1047 A1048 Q1054 A1055 L1147 Q1150 R1151 K1154	E1047-L1051 PolarHBondContact O-N 2.78Å; A1048-L1051 PolarHBondContact O-N 3.35Å; L1051-Q1054 PolarHBondContact O-N 3.06Å; L1051-A1055 VanDerWaalsContact O-CB 3.27Å; L1051-A1055 WeakPolarHBondContact O-CB 3.29Å; L1051-A1055 PolarHBondContact O-N 2.98Å; L1051-L1147 HydrophobicContact CD2-CD2 4.16Å; L1051-Q1150 HydrophobicContact CD1-CB 4.22Å; L1051-Q1150 HydrophobicContact CD2-CB 4.23Å; L1051-R1151 HydrophobicContact CB-CB 4.06Å; L1051-R1151 HydrophobicContact CB-CG 4.47Å; L1051-K1154 HydrophobicContact CD1-CB 4.13Å; L1051-K1154 HydrophobicContact CD1-CG 3.77Å
1052	E	90	Very high	88	Confident	88 Å²	88	36.3 Å²	36.3	41%	0.411	17%	0.173	S	C	.	.	H	α-helix	trans	-62.4	-47.2	174	-178.5	171.9	-163.1	0	0	111.7	A1048 R1049 Q1054 A1055 R1056 R1151	A1048-E1052 WeakPolarHBondContact O-CB 3.37Å; A1048-E1052 PolarHBondContact O-N 2.8Å; R1049-E1052 PolarHBondContact O-N 2.96Å; E1052-Q1054 PolarHBondContact O-N 3.22Å; E1052-A1055 PolarHBondContact O-N 3.2Å; E1052-R1056 WeakPolarHBondContact O-CB 3.38Å; E1052-R1056 PolarHBondContact O-N 2.87Å; E1052-R1151 HydrophobicContact CB-CG 4.32Å
1053	N	89.8	Confident	87.8	Confident	11 Å²	11	42 Å²	42	6%	0.059	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-40	174.2	-81.8	-84	0	0	0	111.7	R1049 K1050 F1057 Y1085 D1086 Y1130	R1049-N1053 WeakPolarHBondContact O-CB 3.26Å; R1049-N1053 PolarHBondContact O-N 2.83Å; R1049-N1053 PolarHBondContact O-ND2 2.69Å; K1050-N1053 PolarHBondContact O-N 3.46Å; N1053-F1057 WeakPolarHBondContact O-CB 3.26Å; N1053-F1057 PolarHBondContact O-N 3.46Å; N1053-Y1085 HydrophobicContact CB-CD1 4.12Å; N1053-Y1085 WeakPolarHBondContact O-CE1 3.24Å; N1053-Y1085 VanDerWaalsContact OD1-CD1 3.27Å; N1053-Y1085 WeakPolarHBondContact OD1-CD1 3.49Å; N1053-D1086 PolarHBondContact ND2-OD2 3.27Å; N1053-D1086 PolarHBondContact OD1-N 2.98Å; N1053-Y1130 HydrophobicContact CB-CE2 3.91Å; N1053-Y1130 VanDerWaalsContact CB-OH 3.28Å; N1053-Y1130 WeakPolarHBondContact CB-OH 3.43Å
1054	Q	88.5	Confident	87.5	Confident	27 Å²	27	45.2 Å²	45.2	13%	0.126	22%	0.222	C	C	.	.	H	α-helix	trans	-67	-47.7	176.7	-74.3	178.9	-40	0	0	112.1	K1050 L1051 E1052 R1056 F1057 V1058 Y1130 M1134	K1050-Q1054 WeakPolarHBondContact O-CG 3.5Å; K1050-Q1054 PolarHBondContact O-N 2.8Å; L1051-Q1054 PolarHBondContact O-N 3.06Å; E1052-Q1054 PolarHBondContact O-N 3.22Å; Q1054-R1056 VanDerWaalsContact C-N 3.34Å; Q1054-R1056 PolarHBondContact O-N 2.98Å; Q1054-F1057 PolarHBondContact O-N 3.27Å; Q1054-V1058 VanDerWaalsContact O-CG2 3.32Å; Q1054-V1058 WeakPolarHBondContact O-CG2 3.25Å; Q1054-V1058 PolarHBondContact O-N 3.23Å; Q1054-Y1130 HydrophobicContact CG-CD2 3.91Å; Q1054-Y1130 HydrophobicContact CG-CE2 4.16Å; Q1054-Y1130 PolarHBondContact NE2-O 3.28Å; Q1054-M1134 HydrophobicContact CB-CE 4.04Å; Q1054-M1134 HydrophobicContact CB-SD 3.97Å; Q1054-M1134 HydrophobicContact CG-CE 4.3Å; Q1054-M1134 HydrophobicContact CG-SD 3.74Å
1055	A	87.5	Confident	87.1	Confident	3 Å²	3	50 Å²	50	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-62.1	-41	176.1	0	0	0	0	0	111.6	L1051 E1052 V1058 L1059 L1148	L1051-A1055 VanDerWaalsContact O-CB 3.27Å; L1051-A1055 WeakPolarHBondContact O-CB 3.29Å; L1051-A1055 PolarHBondContact O-N 2.98Å; E1052-A1055 PolarHBondContact O-N 3.2Å; A1055-V1058 PolarHBondContact O-N 3.18Å; A1055-L1059 WeakPolarHBondContact O-CB 3.25Å; A1055-L1059 VanDerWaalsContact O-CG 3.24Å; A1055-L1059 WeakPolarHBondContact O-CG 3.45Å; A1055-L1059 PolarHBondContact O-N 2.97Å; A1055-L1148 HydrophobicContact CB-CD2 3.87Å; A1055-L1148 HydrophobicContact CB-CG 4.45Å
1056	R	89.1	Confident	86.4	Confident	81 Å²	81	49.1 Å²	49.1	31%	0.306	24%	0.239	S	C	.	.	H	α-helix	trans	-61	-46.8	173.9	-176	-172.2	164.3	-150.5	-15.8	111.6	E1052 Q1054 L1059 E1060 A1083 N1084 Y1085	E1052-R1056 WeakPolarHBondContact O-CB 3.38Å; E1052-R1056 PolarHBondContact O-N 2.87Å; Q1054-R1056 VanDerWaalsContact C-N 3.34Å; Q1054-R1056 PolarHBondContact O-N 2.98Å; R1056-L1059 PolarHBondContact O-N 2.84Å; R1056-E1060 HydrophobicContact CG-CG 4.44Å; R1056-E1060 IonicContact CZ-OE1 3.91Å; R1056-E1060 VanDerWaalsContact CZ-OE1 3.25Å; R1056-E1060 IonicContact NE-OE1 3.56Å; R1056-E1060 PolarHBondContact NE-OE1 2.88Å; R1056-E1060 IonicContact NH2-OE1 3.84Å; R1056-E1060 PolarHBondContact NH2-OE1 3.11Å; R1056-E1060 IonicContact NH2-OE2 3.22Å; R1056-E1060 WeakPolarHBondContact O-CB 3.4Å; R1056-E1060 WeakPolarHBondContact O-CG 3.22Å; R1056-E1060 PolarHBondContact O-N 2.65Å; R1056-A1083 PolarHBondContact NH1-O 3.39Å; R1056-A1083 PolarHBondContact NH2-O 3.39Å; R1056-N1084 PolarHBondContact NH1-O 3.25Å; R1056-N1084 VanDerWaalsContact NH1-O 3.09Å; R1056-Y1085 HydrophobicContact CB-CE1 4.37Å; R1056-Y1085 HydrophobicContact CG-CE1 4.29Å
1057	F	88.3	Confident	86	Confident	15 Å²	15	52.4 Å²	52.4	7%	0.066	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-45.7	176.8	175.7	-96.9	0	0	0	112	N1053 Q1054 L1059 E1060 K1061 M1066 I1068 L1080 Y1085 I1131 M1134	N1053-F1057 WeakPolarHBondContact O-CB 3.26Å; N1053-F1057 PolarHBondContact O-N 3.46Å; Q1054-F1057 PolarHBondContact O-N 3.27Å; F1057-L1059 PolarHBondContact O-N 2.66Å; F1057-E1060 PolarHBondContact O-N 3.25Å; F1057-K1061 WeakPolarHBondContact O-CB 3.4Å; F1057-K1061 PolarHBondContact O-N 3.25Å; F1057-M1066 HydrophobicContact CD2-CE 3.76Å; F1057-M1066 HydrophobicContact CD2-SD 3.7Å; F1057-M1066 HydrophobicContact CE2-CE 4.21Å; F1057-M1066 HydrophobicContact CE2-SD 3.49Å; F1057-M1066 WeakPolarHBondContact CE2-SD 3.34Å; F1057-I1068 HydrophobicContact CE2-CG2 4.29Å; F1057-I1068 HydrophobicContact CZ-CD1 4.41Å; F1057-I1068 HydrophobicContact CZ-CG2 4.22Å; F1057-L1080 HydrophobicContact CD2-CD2 4Å; F1057-L1080 HydrophobicContact CE2-CD2 4.23Å; F1057-Y1085 VanDerWaalsContact CA-OH 3.32Å; F1057-Y1085 WeakPolarHBondContact CA-OH 3.45Å; F1057-Y1085 HydrophobicContact CB-CE1 3.89Å; F1057-Y1085 PolarHBondContact N-OH 3.39Å; F1057-I1131 HydrophobicContact CB-CG2 4.03Å; F1057-I1131 HydrophobicContact CD1-CG2 3.54Å; F1057-I1131 HydrophobicContact CD2-CG2 3.4Å; F1057-I1131 HydrophobicContact CE1-CG2 3.71Å; F1057-I1131 HydrophobicContact CE2-CG2 3.57Å; F1057-I1131 HydrophobicContact CG-CG2 3.37Å; F1057-I1131 HydrophobicContact CZ-CG2 3.73Å; F1057-M1134 HydrophobicContact CD1-SD 4.34Å
1058	V	86.3	Confident	85.6	Confident	1 Å²	1	52 Å²	52	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-42.4	176.9	173.3	0	0	0	0	110.9	Q1054 A1055 K1061 I1062 M1134 L1139 K1144 L1147	Q1054-V1058 VanDerWaalsContact O-CG2 3.32Å; Q1054-V1058 WeakPolarHBondContact O-CG2 3.25Å; Q1054-V1058 PolarHBondContact O-N 3.23Å; A1055-V1058 PolarHBondContact O-N 3.18Å; V1058-K1061 PolarHBondContact O-N 2.96Å; V1058-I1062 HydrophobicContact CG1-CD1 3.7Å; V1058-I1062 HydrophobicContact CG1-CG1 4.45Å; V1058-I1062 WeakPolarHBondContact O-CB 3.35Å; V1058-I1062 VanDerWaalsContact O-CG1 3.24Å; V1058-I1062 WeakPolarHBondContact O-CG1 3.26Å; V1058-I1062 PolarHBondContact O-N 3.46Å; V1058-M1134 HydrophobicContact CG2-CE 3.59Å; V1058-M1134 HydrophobicContact CG2-SD 4.47Å; V1058-L1139 HydrophobicContact CB-CD2 4.35Å; V1058-L1139 HydrophobicContact CG1-CD2 4.02Å; V1058-L1139 HydrophobicContact CG2-CD2 4.14Å; V1058-K1144 HydrophobicContact CG1-CB 3.92Å; V1058-K1144 HydrophobicContact CG1-CG 3.72Å; V1058-L1147 HydrophobicContact CG2-CD1 4.23Å
1059	L	86.3	Confident	85.1	Confident	51 Å²	51	57 Å²	57	27%	0.267	28%	0.28	S	S	.	.	H	α-helix	trans	-65.3	-50.5	176.2	-74.7	169.4	0	0	0	112.5	A1055 R1056 F1057 K1061 I1062 Q1063 K1144 L1148	A1055-L1059 WeakPolarHBondContact O-CB 3.25Å; A1055-L1059 VanDerWaalsContact O-CG 3.24Å; A1055-L1059 WeakPolarHBondContact O-CG 3.45Å; A1055-L1059 PolarHBondContact O-N 2.97Å; R1056-L1059 PolarHBondContact O-N 2.84Å; F1057-L1059 PolarHBondContact O-N 2.66Å; L1059-K1061 PolarHBondContact O-N 2.84Å; L1059-I1062 PolarHBondContact O-N 2.93Å; L1059-Q1063 VanDerWaalsContact O-CB 3.28Å; L1059-Q1063 WeakPolarHBondContact O-CB 3.16Å; L1059-Q1063 WeakPolarHBondContact O-CG 3.5Å; L1059-Q1063 PolarHBondContact O-N 2.76Å; L1059-K1144 HydrophobicContact CD2-CD 4.08Å; L1059-K1144 HydrophobicContact CD2-CG 4.49Å; L1059-L1148 HydrophobicContact CD1-CD2 4.29Å
1060	E	88.5	Confident	84.8	Confident	31 Å²	31	60.1 Å²	60.1	15%	0.145	31%	0.305	C	S	.	.	H	α-helix	trans	-60.4	-33.6	176.5	-75.6	-179.6	-172.2	0	0	111.6	R1056 F1057 S1064 I1065 M1066 Y1085	R1056-E1060 HydrophobicContact CG-CG 4.44Å; R1056-E1060 IonicContact CZ-OE1 3.91Å; R1056-E1060 VanDerWaalsContact CZ-OE1 3.25Å; R1056-E1060 IonicContact NE-OE1 3.56Å; R1056-E1060 PolarHBondContact NE-OE1 2.88Å; R1056-E1060 IonicContact NH2-OE1 3.84Å; R1056-E1060 PolarHBondContact NH2-OE1 3.11Å; R1056-E1060 IonicContact NH2-OE2 3.22Å; R1056-E1060 WeakPolarHBondContact O-CB 3.4Å; R1056-E1060 WeakPolarHBondContact O-CG 3.22Å; R1056-E1060 PolarHBondContact O-N 2.65Å; F1057-E1060 PolarHBondContact O-N 3.25Å; E1060-S1064 PolarHBondContact O-N 2.93Å; E1060-I1065 HydrophobicContact CB-CB 4.17Å; E1060-I1065 HydrophobicContact CB-CG2 4.49Å; E1060-I1065 HydrophobicContact CG-CB 4.44Å; E1060-I1065 HydrophobicContact CG-CD1 4.39Å; E1060-I1065 HydrophobicContact CG-CG2 4.4Å; E1060-I1065 WeakPolarHBondContact O-CA 3.5Å; E1060-I1065 WeakPolarHBondContact O-CB 3.46Å; E1060-I1065 PolarHBondContact O-N 3.18Å; E1060-M1066 HydrophobicContact CB-CB 4.37Å; E1060-M1066 HydrophobicContact CB-CE 4.49Å; E1060-M1066 PolarHBondContact O-N 3.46Å; E1060-M1066 VanDerWaalsContact O-N 3.1Å; E1060-M1066 WeakPolarHBondContact OE2-CE 3.46Å; E1060-Y1085 PolarHBondContact OE1-OH 2.9Å; E1060-Y1085 PolarHBondContact OE2-OH 3.48Å
1061	K	84.9	Confident	84.5	Confident	27 Å²	27	59.9 Å²	59.9	12%	0.117	30%	0.304	C	S	.	.	H	α-helix	trans	-71.9	-45.1	175.5	178.7	55.3	-168.3	156.9	0	112.5	F1057 V1058 L1059 Q1063 S1064 M1066 I1068 E1069 L1139	F1057-K1061 WeakPolarHBondContact O-CB 3.4Å; F1057-K1061 PolarHBondContact O-N 3.25Å; V1058-K1061 PolarHBondContact O-N 2.96Å; L1059-K1061 PolarHBondContact O-N 2.84Å; K1061-Q1063 VanDerWaalsContact C-N 3.34Å; K1061-S1064 PolarHBondContact O-N 3.29Å; K1061-S1064 VanDerWaalsContact O-N 3.16Å; K1061-M1066 WeakPolarHBondContact CD-O 3.31Å; K1061-I1068 HydrophobicContact CD-CD1 4.19Å; K1061-I1068 HydrophobicContact CD-CG1 4.21Å; K1061-E1069 IonicContact NZ-OE1 2.67Å; K1061-E1069 PolarHBondContact NZ-OE1 2.88Å; K1061-E1069 IonicContact NZ-OE2 3.03Å; K1061-E1069 PolarHBondContact NZ-OE2 2.82Å; K1061-L1139 HydrophobicContact CB-CD2 4.3Å; K1061-L1139 HydrophobicContact CG-CD1 4Å; K1061-L1139 HydrophobicContact CG-CD2 3.94Å
1062	I	83.7	Confident	84.3	Confident	83 Å²	83	62.7 Å²	62.7	43%	0.426	32%	0.324	S	S	.	.	H	α-helix	trans	-64.6	-39.3	176.2	-71	168.2	0	0	0	110.9	V1058 L1059 S1064 K1144	V1058-I1062 HydrophobicContact CG1-CD1 3.7Å; V1058-I1062 HydrophobicContact CG1-CG1 4.45Å; V1058-I1062 WeakPolarHBondContact O-CB 3.35Å; V1058-I1062 VanDerWaalsContact O-CG1 3.24Å; V1058-I1062 WeakPolarHBondContact O-CG1 3.26Å; V1058-I1062 PolarHBondContact O-N 3.46Å; L1059-I1062 PolarHBondContact O-N 2.93Å; I1062-S1064 PolarHBondContact O-N 2.85Å; I1062-K1144 HydrophobicContact CD1-CB 4.3Å; I1062-K1144 HydrophobicContact CD1-CD 4.15Å; I1062-K1144 HydrophobicContact CD1-CG 3.92Å
1063	Q	83.4	Confident	83.8	Confident	123 Å²	123	63.6 Å²	63.6	58%	0.575	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	1.2	176.4	-67.4	172.4	3.4	0	0	113.4	L1059 K1061 I1065	L1059-Q1063 VanDerWaalsContact O-CB 3.28Å; L1059-Q1063 WeakPolarHBondContact O-CB 3.16Å; L1059-Q1063 WeakPolarHBondContact O-CG 3.5Å; L1059-Q1063 PolarHBondContact O-N 2.76Å; K1061-Q1063 VanDerWaalsContact C-N 3.34Å; Q1063-I1065 HydrophobicContact CB-CD1 3.97Å; Q1063-I1065 HydrophobicContact CB-CG1 3.98Å; Q1063-I1065 PolarHBondContact O-N 3.42Å; Q1063-I1065 VanDerWaalsContact OE1-CD1 3.32Å
1064	S	80.2	Confident	83.4	Confident	93 Å²	93	71.9 Å²	71.9	65%	0.65	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	20.5	-177.2	-55.6	0	0	0	0	114.8	E1060 K1061 I1062	E1060-S1064 PolarHBondContact O-N 2.93Å; K1061-S1064 PolarHBondContact O-N 3.29Å; K1061-S1064 VanDerWaalsContact O-N 3.16Å; I1062-S1064 PolarHBondContact O-N 2.85Å
1065	I	81.2	Confident	83.2	Confident	111 Å²	111	73.3 Å²	73.3	57%	0.569	37%	0.368	S	S	*	.	S	Bend	trans	-71	-39.6	171.8	-60.4	173.3	0	0	0	109.3	E1060 Q1063	E1060-I1065 HydrophobicContact CB-CB 4.17Å; E1060-I1065 HydrophobicContact CB-CG2 4.49Å; E1060-I1065 HydrophobicContact CG-CB 4.44Å; E1060-I1065 HydrophobicContact CG-CD1 4.39Å; E1060-I1065 HydrophobicContact CG-CG2 4.4Å; E1060-I1065 WeakPolarHBondContact O-CA 3.5Å; E1060-I1065 WeakPolarHBondContact O-CB 3.46Å; E1060-I1065 PolarHBondContact O-N 3.18Å; Q1063-I1065 HydrophobicContact CB-CD1 3.97Å; Q1063-I1065 HydrophobicContact CB-CG1 3.98Å; Q1063-I1065 PolarHBondContact O-N 3.42Å; Q1063-I1065 VanDerWaalsContact OE1-CD1 3.32Å
1066	M	75.6	Confident	82.9	Confident	12 Å²	12	74.5 Å²	74.5	6%	0.059	37%	0.374	C	S	.	.	S	Bend	trans	-109.4	115.3	177.7	-155.4	-176	-52.1	0	0	112.2	F1057 E1060 K1061 I1068 M1079 L1080 Y1085	F1057-M1066 HydrophobicContact CD2-CE 3.76Å; F1057-M1066 HydrophobicContact CD2-SD 3.7Å; F1057-M1066 HydrophobicContact CE2-CE 4.21Å; F1057-M1066 HydrophobicContact CE2-SD 3.49Å; F1057-M1066 WeakPolarHBondContact CE2-SD 3.34Å; E1060-M1066 HydrophobicContact CB-CB 4.37Å; E1060-M1066 HydrophobicContact CB-CE 4.49Å; E1060-M1066 PolarHBondContact O-N 3.46Å; E1060-M1066 VanDerWaalsContact O-N 3.1Å; E1060-M1066 WeakPolarHBondContact OE2-CE 3.46Å; K1061-M1066 WeakPolarHBondContact CD-O 3.31Å; M1066-I1068 HydrophobicContact CG-CG2 4.3Å; M1066-I1068 HydrophobicContact SD-CG2 4.32Å; M1066-M1079 HydrophobicContact CG-CE 3.84Å; M1066-L1080 HydrophobicContact CE-CD2 4.05Å; M1066-L1080 HydrophobicContact SD-CD2 4.03Å; M1066-Y1085 HydrophobicContact CE-CE2 3.53Å; M1066-Y1085 WeakPolarHBondContact CE-OH 3.18Å
1067	V	78.6	Confident	82.6	Confident	75 Å²	75	73 Å²	73	46%	0.455	37%	0.372	S	S	.	.			trans	-97.1	124.6	172.2	-178.2	0	0	0	0	108.8	E1069 K1071 M1079	V1067-E1069 HydrophobicContact CG1-CB 4.48Å; V1067-K1071 VanDerWaalsContact O-CD 3.3Å; V1067-K1071 WeakPolarHBondContact O-CD 3.3Å; V1067-K1071 WeakPolarHBondContact O-CE 3.23Å; V1067-M1079 WeakPolarHBondContact O-CE 3.47Å
1068	I	79.7	Confident	82.4	Confident	52 Å²	52	78.5 Å²	78.5	27%	0.267	39%	0.392	S	S	.	.			trans	-115.7	-17.2	-176	62.1	176.7	0	0	0	112.2	F1057 K1061 M1066 K1071 L1076	F1057-I1068 HydrophobicContact CE2-CG2 4.29Å; F1057-I1068 HydrophobicContact CZ-CD1 4.41Å; F1057-I1068 HydrophobicContact CZ-CG2 4.22Å; K1061-I1068 HydrophobicContact CD-CD1 4.19Å; K1061-I1068 HydrophobicContact CD-CG1 4.21Å; M1066-I1068 HydrophobicContact CG-CG2 4.3Å; M1066-I1068 HydrophobicContact SD-CG2 4.32Å; I1068-K1071 PolarHBondContact O-N 2.98Å; I1068-L1076 HydrophobicContact CB-CD2 3.95Å; I1068-L1076 HydrophobicContact CG2-CD2 4Å
1069	E	79.7	Confident	82.3	Confident	112 Å²	112	80 Å²	80	52%	0.523	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	133.3	-179	-67.8	86.6	156.6	0	0	111.6	K1061 V1067 K1071	K1061-E1069 IonicContact NZ-OE1 2.67Å; K1061-E1069 PolarHBondContact NZ-OE1 2.88Å; K1061-E1069 IonicContact NZ-OE2 3.03Å; K1061-E1069 PolarHBondContact NZ-OE2 2.82Å; V1067-E1069 HydrophobicContact CG1-CB 4.48Å; E1069-K1071 PolarHBondContact O-N 3.09Å
1070	N	80.8	Confident	82.3	Confident	176 Å²	176	77.7 Å²	77.7	94%	0.941	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	23.1	177.8	-160.7	41.1	0	0	0	115.7
1071	K	82.6	Confident	82	Confident	64 Å²	64	82.5 Å²	82.5	28%	0.278	41%	0.408	S	S	.	.			trans	-102.4	138.7	175.1	-71.9	174.6	178.1	-94.1	0	112.2	V1067 I1068 E1069 E1075 L1076 M1079	V1067-K1071 VanDerWaalsContact O-CD 3.3Å; V1067-K1071 WeakPolarHBondContact O-CD 3.3Å; V1067-K1071 WeakPolarHBondContact O-CE 3.23Å; I1068-K1071 PolarHBondContact O-N 2.98Å; E1069-K1071 PolarHBondContact O-N 3.09Å; K1071-E1075 IonicContact NZ-OE1 3.32Å; K1071-E1075 PolarHBondContact NZ-OE1 2.85Å; K1071-L1076 HydrophobicContact CB-CD2 3.85Å; K1071-L1076 HydrophobicContact CB-CG 4.09Å; K1071-L1076 HydrophobicContact CD-CD2 4.07Å; K1071-M1079 HydrophobicContact CD-CE 4.39Å; K1071-M1079 HydrophobicContact CD-SD 3.51Å; K1071-M1079 VanDerWaalsContact CD-SD 3.51Å; K1071-M1079 VanDerWaalsContact CE-SD 3.55Å; K1071-M1079 PolarHBondContact NZ-SD 2.74Å
1072	P	84.8	Confident	82	Confident	81 Å²	81	86.8 Å²	86.8	53%	0.526	43%	0.428	S	S	.	.			trans	-71.2	149.1	175	29.8	-34.1	0	0	0	111.2	K1074 E1075 L1076	P1072-K1074 PolarHBondContact O-N 3.06Å; P1072-E1075 HydrophobicContact CG-CB 3.88Å; P1072-E1075 WeakPolarHBondContact O-CA 3.47Å; P1072-E1075 WeakPolarHBondContact O-CB 3.3Å; P1072-E1075 PolarHBondContact O-N 2.87Å; P1072-L1076 PolarHBondContact O-N 2.87Å; P1072-L1076 VanDerWaalsContact O-N 3.13Å
1073	K	80.7	Confident	82	Confident	107 Å²	107	84.3 Å²	84.3	47%	0.465	42%	0.42	S	S	.	.	H	α-helix	trans	-51.9	-33.8	-178.8	-177	165.2	-178.5	165.2	0	113.7	E1075 L1076 I1077 N1129 L1132	K1073-E1075 VanDerWaalsContact C-N 3.34Å; K1073-E1075 PolarHBondContact O-N 3.42Å; K1073-L1076 PolarHBondContact O-N 3.2Å; K1073-I1077 HydrophobicContact CG-CD1 3.93Å; K1073-I1077 HydrophobicContact CG-CG1 4.43Å; K1073-I1077 VanDerWaalsContact O-CG1 3.31Å; K1073-I1077 WeakPolarHBondContact O-CG1 3.5Å; K1073-I1077 PolarHBondContact O-N 3.06Å; K1073-N1129 PolarHBondContact NZ-OD1 2.55Å; K1073-L1132 HydrophobicContact CG-CD1 4.29Å
1074	K	82.1	Confident	82.1	Confident	184 Å²	184	85 Å²	85	80%	0.8	43%	0.428	S	S	*	.	H	α-helix	trans	-65	-32.5	175.5	-171.6	174.8	-178.6	177.3	0	113.4	P1072 R1078	P1072-K1074 PolarHBondContact O-N 3.06Å; K1074-R1078 PolarHBondContact O-N 3.47Å
1075	E	83.3	Confident	82.3	Confident	58 Å²	58	81 Å²	81	27%	0.271	40%	0.398	S	S	.	.	H	α-helix	trans	-79.2	-39.1	174.5	-171.1	-178.7	153.9	0	0	111.4	K1071 P1072 K1073 I1077 R1078 M1079	K1071-E1075 IonicContact NZ-OE1 3.32Å; K1071-E1075 PolarHBondContact NZ-OE1 2.85Å; P1072-E1075 HydrophobicContact CG-CB 3.88Å; P1072-E1075 WeakPolarHBondContact O-CA 3.47Å; P1072-E1075 WeakPolarHBondContact O-CB 3.3Å; P1072-E1075 PolarHBondContact O-N 2.87Å; K1073-E1075 VanDerWaalsContact C-N 3.34Å; K1073-E1075 PolarHBondContact O-N 3.42Å; E1075-I1077 PolarHBondContact O-N 3.11Å; E1075-R1078 CarbonylContact O-C 3.58Å; E1075-R1078 WeakPolarHBondContact O-CA 3.5Å; E1075-R1078 WeakPolarHBondContact O-CB 3.22Å; E1075-R1078 PolarHBondContact O-N 3.01Å; E1075-M1079 WeakPolarHBondContact O-CG 3.46Å; E1075-M1079 PolarHBondContact O-N 2.71Å
1076	L	81.8	Confident	82.4	Confident	27 Å²	27	77.6 Å²	77.6	14%	0.141	38%	0.381	C	S	.	.	H	α-helix	trans	-59.3	-44.7	174.2	-64.8	174.6	0	0	0	111.7	I1068 K1071 P1072 K1073 R1078 M1079 L1080 L1132	I1068-L1076 HydrophobicContact CB-CD2 3.95Å; I1068-L1076 HydrophobicContact CG2-CD2 4Å; K1071-L1076 HydrophobicContact CB-CD2 3.85Å; K1071-L1076 HydrophobicContact CB-CG 4.09Å; K1071-L1076 HydrophobicContact CD-CD2 4.07Å; P1072-L1076 PolarHBondContact O-N 2.87Å; P1072-L1076 VanDerWaalsContact O-N 3.13Å; K1073-L1076 PolarHBondContact O-N 3.2Å; L1076-R1078 VanDerWaalsContact C-N 3.27Å; L1076-R1078 PolarHBondContact O-N 2.97Å; L1076-M1079 PolarHBondContact O-N 3.04Å; L1076-L1080 WeakPolarHBondContact O-CG 3.15Å; L1076-L1080 PolarHBondContact O-N 3.35Å; L1076-L1132 HydrophobicContact CB-CD2 4.08Å; L1076-L1132 HydrophobicContact CD1-CD2 4.2Å
1077	I	82.9	Confident	82.5	Confident	50 Å²	50	79.3 Å²	79.3	26%	0.256	40%	0.395	S	S	.	.	H	α-helix	trans	-60.5	-36.9	173.2	-71.4	167.9	0	0	0	111.4	K1073 E1075 K1081 Y1128 L1132	K1073-I1077 HydrophobicContact CG-CD1 3.93Å; K1073-I1077 HydrophobicContact CG-CG1 4.43Å; K1073-I1077 VanDerWaalsContact O-CG1 3.31Å; K1073-I1077 WeakPolarHBondContact O-CG1 3.5Å; K1073-I1077 PolarHBondContact O-N 3.06Å; E1075-I1077 PolarHBondContact O-N 3.11Å; I1077-K1081 WeakPolarHBondContact O-CB 3.4Å; I1077-K1081 PolarHBondContact O-N 3.26Å; I1077-Y1128 HydrophobicContact CB-CD2 4.36Å; I1077-Y1128 HydrophobicContact CG1-CD2 4.26Å; I1077-Y1128 HydrophobicContact CG2-CD2 4.03Å; I1077-Y1128 HydrophobicContact CG2-CE2 4.23Å; I1077-L1132 HydrophobicContact CG1-CD1 4.08Å
1078	R	83	Confident	82.8	Confident	130 Å²	130	76.9 Å²	76.9	49%	0.491	38%	0.379	S	S	.	.	H	α-helix	trans	-67.5	-45.1	175.6	-155.5	-166.4	77.6	-136	-12.1	111.2	K1074 E1075 L1076 K1081 E1082	K1074-R1078 PolarHBondContact O-N 3.47Å; E1075-R1078 CarbonylContact O-C 3.58Å; E1075-R1078 WeakPolarHBondContact O-CA 3.5Å; E1075-R1078 WeakPolarHBondContact O-CB 3.22Å; E1075-R1078 PolarHBondContact O-N 3.01Å; L1076-R1078 VanDerWaalsContact C-N 3.27Å; L1076-R1078 PolarHBondContact O-N 2.97Å; R1078-K1081 PolarHBondContact O-N 3.46Å; R1078-E1082 WeakPolarHBondContact CD-OE1 3.49Å; R1078-E1082 HydrophobicContact CG-CG 4.5Å; R1078-E1082 IonicContact CZ-OE1 2.64Å; R1078-E1082 IonicContact CZ-OE2 2.77Å; R1078-E1082 VanDerWaalsContact NE-CD 3.26Å; R1078-E1082 IonicContact NE-OE1 3.56Å; R1078-E1082 PolarHBondContact NE-OE1 2.95Å; R1078-E1082 IonicContact NE-OE2 2.65Å; R1078-E1082 PolarHBondContact NE-OE2 3.22Å; R1078-E1082 VanDerWaalsContact NE-OE2 3.14Å; R1078-E1082 IonicContact NH2-OE1 2.6Å; R1078-E1082 IonicContact NH2-OE2 2.79Å; R1078-E1082 PolarHBondContact NH2-OE2 3.17Å; R1078-E1082 WeakPolarHBondContact O-CB 3.35Å; R1078-E1082 VanDerWaalsContact O-CG 3.24Å; R1078-E1082 WeakPolarHBondContact O-CG 3.21Å; R1078-E1082 PolarHBondContact O-N 3.21Å
1079	M	84.5	Confident	82.9	Confident	33 Å²	33	74.8 Å²	74.8	16%	0.163	37%	0.369	C	S	.	.	H	α-helix	trans	-63.1	-43.6	178.8	-75.2	177	55.4	0	0	112.9	M1066 V1067 K1071 E1075 L1076 K1081 E1082 A1083	M1066-M1079 HydrophobicContact CG-CE 3.84Å; V1067-M1079 WeakPolarHBondContact O-CE 3.47Å; K1071-M1079 HydrophobicContact CD-CE 4.39Å; K1071-M1079 HydrophobicContact CD-SD 3.51Å; K1071-M1079 VanDerWaalsContact CD-SD 3.51Å; K1071-M1079 VanDerWaalsContact CE-SD 3.55Å; K1071-M1079 PolarHBondContact NZ-SD 2.74Å; E1075-M1079 WeakPolarHBondContact O-CG 3.46Å; E1075-M1079 PolarHBondContact O-N 2.71Å; L1076-M1079 PolarHBondContact O-N 3.04Å; M1079-K1081 VanDerWaalsContact C-N 3.29Å; M1079-K1081 PolarHBondContact O-N 3.3Å; M1079-E1082 PolarHBondContact O-N 3.44Å; M1079-A1083 VanDerWaalsContact O-CB 3.3Å; M1079-A1083 WeakPolarHBondContact O-CB 3.07Å; M1079-A1083 PolarHBondContact O-N 3.03Å
1080	L	85.4	Confident	82.9	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-62.8	-38.6	176.3	-69.6	173.1	0	0	0	111.1	F1057 M1066 L1076 A1083 N1084 Y1085 Y1128 I1131 L1132	F1057-L1080 HydrophobicContact CD2-CD2 4Å; F1057-L1080 HydrophobicContact CE2-CD2 4.23Å; M1066-L1080 HydrophobicContact CE-CD2 4.05Å; M1066-L1080 HydrophobicContact SD-CD2 4.03Å; L1076-L1080 WeakPolarHBondContact O-CG 3.15Å; L1076-L1080 PolarHBondContact O-N 3.35Å; L1080-A1083 PolarHBondContact O-N 3.33Å; L1080-N1084 PolarHBondContact O-N 2.95Å; L1080-Y1085 HydrophobicContact CB-CD2 4.46Å; L1080-Y1085 HydrophobicContact CD2-CD1 4.27Å; L1080-Y1085 HydrophobicContact CD2-CD2 3.73Å; L1080-Y1085 HydrophobicContact CD2-CE2 4.06Å; L1080-Y1085 HydrophobicContact CD2-CG 3.84Å; L1080-Y1085 WeakPolarHBondContact O-CB 3.41Å; L1080-Y1085 PolarHBondContact O-N 3.03Å; L1080-Y1128 HydrophobicContact CB-CD1 3.87Å; L1080-Y1128 HydrophobicContact CB-CD2 4.22Å; L1080-Y1128 HydrophobicContact CB-CE1 3.82Å; L1080-Y1128 HydrophobicContact CB-CE2 4.16Å; L1080-Y1128 HydrophobicContact CB-CG 4.07Å; L1080-Y1128 HydrophobicContact CD1-CD1 3.88Å; L1080-Y1128 HydrophobicContact CD1-CD2 4.4Å; L1080-Y1128 HydrophobicContact CD1-CG 3.73Å; L1080-Y1128 HydrophobicContact CG-CD1 4.47Å; L1080-I1131 HydrophobicContact CD1-CG2 4.43Å; L1080-I1131 HydrophobicContact CD2-CD1 4.27Å; L1080-L1132 HydrophobicContact CD1-CD2 4.04Å; L1080-L1132 HydrophobicContact CD1-CG 4.27Å
1081	K	83.6	Confident	82.9	Confident	132 Å²	132	66.2 Å²	66.2	57%	0.574	32%	0.324	S	S	*	.	H	α-helix	trans	-68.2	-39.4	172.8	-170.6	172.2	-177.6	174.1	0	113.2	I1077 R1078 M1079 A1083 N1084 Y1128	I1077-K1081 WeakPolarHBondContact O-CB 3.4Å; I1077-K1081 PolarHBondContact O-N 3.26Å; R1078-K1081 PolarHBondContact O-N 3.46Å; M1079-K1081 VanDerWaalsContact C-N 3.29Å; M1079-K1081 PolarHBondContact O-N 3.3Å; K1081-A1083 VanDerWaalsContact C-N 3.31Å; K1081-N1084 PolarHBondContact O-N 3.05Å; K1081-Y1128 WeakPolarHBondContact CA-OH 3.23Å; K1081-Y1128 HydrophobicContact CB-CE2 4.42Å
1082	E	85.1	Confident	82.7	Confident	117 Å²	117	65.3 Å²	65.3	55%	0.547	33%	0.328	S	S	.	.	H	α-helix	trans	-66.9	-30.8	176.2	-75.3	166.9	165.8	0	0	112.2	R1078 M1079	R1078-E1082 WeakPolarHBondContact CD-OE1 3.49Å; R1078-E1082 HydrophobicContact CG-CG 4.5Å; R1078-E1082 IonicContact CZ-OE1 2.64Å; R1078-E1082 IonicContact CZ-OE2 2.77Å; R1078-E1082 VanDerWaalsContact NE-CD 3.26Å; R1078-E1082 IonicContact NE-OE1 3.56Å; R1078-E1082 PolarHBondContact NE-OE1 2.95Å; R1078-E1082 IonicContact NE-OE2 2.65Å; R1078-E1082 PolarHBondContact NE-OE2 3.22Å; R1078-E1082 VanDerWaalsContact NE-OE2 3.14Å; R1078-E1082 IonicContact NH2-OE1 2.6Å; R1078-E1082 IonicContact NH2-OE2 2.79Å; R1078-E1082 PolarHBondContact NH2-OE2 3.17Å; R1078-E1082 WeakPolarHBondContact O-CB 3.35Å; R1078-E1082 VanDerWaalsContact O-CG 3.24Å; R1078-E1082 WeakPolarHBondContact O-CG 3.21Å; R1078-E1082 PolarHBondContact O-N 3.21Å; M1079-E1082 PolarHBondContact O-N 3.44Å
1083	A	82.9	Confident	82.4	Confident	32 Å²	32	63 Å²	63	26%	0.264	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	13.5	177.7	0	0	0	0	0	113.9	R1056 M1079 L1080 K1081 Y1085	R1056-A1083 PolarHBondContact NH1-O 3.39Å; R1056-A1083 PolarHBondContact NH2-O 3.39Å; M1079-A1083 VanDerWaalsContact O-CB 3.3Å; M1079-A1083 WeakPolarHBondContact O-CB 3.07Å; M1079-A1083 PolarHBondContact O-N 3.03Å; L1080-A1083 PolarHBondContact O-N 3.33Å; K1081-A1083 VanDerWaalsContact C-N 3.31Å; A1083-Y1085 HydrophobicContact CB-CD2 3.82Å; A1083-Y1085 HydrophobicContact CB-CE2 3.78Å; A1083-Y1085 PolarHBondContact O-N 3.26Å
1084	N	84.9	Confident	82.1	Confident	138 Å²	138	62.9 Å²	62.9	74%	0.738	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	52.3	-178.8	-61.1	-32.6	0	0	0	113.4	R1056 L1080 K1081	R1056-N1084 PolarHBondContact NH1-O 3.25Å; R1056-N1084 VanDerWaalsContact NH1-O 3.09Å; L1080-N1084 PolarHBondContact O-N 2.95Å; K1081-N1084 PolarHBondContact O-N 3.05Å
1085	Y	85.8	Confident	81.7	Confident	7 Å²	7	57 Å²	57	3%	0.027	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-89.2	143.1	163.1	-75.1	-98	0	0	0	110.5	N1053 R1056 F1057 E1060 M1066 L1080 A1083 Y1128 I1131	N1053-Y1085 HydrophobicContact CB-CD1 4.12Å; N1053-Y1085 WeakPolarHBondContact O-CE1 3.24Å; N1053-Y1085 VanDerWaalsContact OD1-CD1 3.27Å; N1053-Y1085 WeakPolarHBondContact OD1-CD1 3.49Å; R1056-Y1085 HydrophobicContact CB-CE1 4.37Å; R1056-Y1085 HydrophobicContact CG-CE1 4.29Å; F1057-Y1085 VanDerWaalsContact CA-OH 3.32Å; F1057-Y1085 WeakPolarHBondContact CA-OH 3.45Å; F1057-Y1085 HydrophobicContact CB-CE1 3.89Å; F1057-Y1085 PolarHBondContact N-OH 3.39Å; E1060-Y1085 PolarHBondContact OE1-OH 2.9Å; E1060-Y1085 PolarHBondContact OE2-OH 3.48Å; M1066-Y1085 HydrophobicContact CE-CE2 3.53Å; M1066-Y1085 WeakPolarHBondContact CE-OH 3.18Å; L1080-Y1085 HydrophobicContact CB-CD2 4.46Å; L1080-Y1085 HydrophobicContact CD2-CD1 4.27Å; L1080-Y1085 HydrophobicContact CD2-CD2 3.73Å; L1080-Y1085 HydrophobicContact CD2-CE2 4.06Å; L1080-Y1085 HydrophobicContact CD2-CG 3.84Å; L1080-Y1085 WeakPolarHBondContact O-CB 3.41Å; L1080-Y1085 PolarHBondContact O-N 3.03Å; A1083-Y1085 HydrophobicContact CB-CD2 3.82Å; A1083-Y1085 HydrophobicContact CB-CE2 3.78Å; A1083-Y1085 PolarHBondContact O-N 3.26Å; Y1085-Y1128 WeakPolarHBondContact O-CE1 3.27Å; Y1085-Y1128 PolarHBondContact O-OH 2.95Å; Y1085-I1131 HydrophobicContact CD1-CD1 3.56Å; Y1085-I1131 HydrophobicContact CE1-CD1 4.16Å; Y1085-I1131 HydrophobicContact CG-CD1 4.25Å
1086	D	81.9	Confident	81.1	Confident	40 Å²	40	55.9 Å²	55.9	21%	0.214	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-65.6	138.8	176	-71.3	-40	0	0	0	111.7	R1049 N1053 P1089 Y1128 Y1130	R1049-D1086 IonicContact CZ-OD1 3.09Å; R1049-D1086 IonicContact CZ-OD2 3.5Å; R1049-D1086 IonicContact NE-OD2 3.76Å; R1049-D1086 PolarHBondContact NE-OD2 2.63Å; R1049-D1086 IonicContact NH2-OD1 3.86Å; R1049-D1086 PolarHBondContact NH2-OD1 3.04Å; R1049-D1086 IonicContact NH2-OD2 2.74Å; R1049-D1086 PolarHBondContact NH2-OD2 2.87Å; R1049-D1086 VanDerWaalsContact NH2-OD2 3.09Å; N1053-D1086 PolarHBondContact ND2-OD2 3.27Å; N1053-D1086 PolarHBondContact OD1-N 2.98Å; D1086-P1089 HydrophobicContact CB-CB 4.3Å; D1086-P1089 HydrophobicContact CB-CG 4.23Å; D1086-Y1128 WeakPolarHBondContact O-CD1 3.41Å; D1086-Y1128 WeakPolarHBondContact O-CE1 3.36Å; D1086-Y1130 WeakPolarHBondContact O-CE1 3.46Å; D1086-Y1130 PolarHBondContact O-OH 3.24Å
1087	S	79.2	Confident	80.6	Confident	48 Å²	48	55.7 Å²	55.7	34%	0.336	28%	0.281	S	S	.	.	S	Bend	trans	-68.3	128.2	158	176	0	0	0	0	107.3	P1089 D1127	S1087-P1089 VanDerWaalsContact O-N 3.1Å; S1087-D1127 PolarHBondContact OG-N 2.83Å
1088	D	83.5	Confident	79.7	Confident	24 Å²	24	55 Å²	55	13%	0.128	28%	0.278	C	S	.	.			trans	-19.9	100.6	-163.8	-174.4	-35.3	0	0	0	113.1	V1090 K1091 A1092 D1127 Y1130	D1088-V1090 PolarHBondContact O-N 3.42Å; D1088-V1090 PolarHBondContact OD1-N 2.73Å; D1088-V1090 VanDerWaalsContact OD1-N 3.16Å; D1088-K1091 HydrophobicContact CB-CB 3.76Å; D1088-K1091 CarbonylContact O-C 3.59Å; D1088-K1091 WeakPolarHBondContact O-CB 3.29Å; D1088-K1091 PolarHBondContact O-N 3.29Å; D1088-K1091 VanDerWaalsContact O-N 3.08Å; D1088-K1091 PolarHBondContact OD1-N 2.86Å; D1088-A1092 WeakPolarHBondContact O-CB 3.48Å; D1088-A1092 PolarHBondContact O-N 3.06Å; D1088-D1127 PolarHBondContact N-O 2.99Å; D1088-Y1130 VanDerWaalsContact CA-CE1 3.5Å; D1088-Y1130 HydrophobicContact CB-CD1 3.64Å; D1088-Y1130 HydrophobicContact CB-CE1 4.08Å; D1088-Y1130 HydrophobicContact CB-CG 4.38Å
1089	P	81.4	Confident	78.5	Confident	9 Å²	9	53.3 Å²	53.3	6%	0.058	28%	0.275	C	S	.	.	H	α-helix	trans	-66.4	-26.6	-167.1	22.7	-31.9	0	0	0	112.8	R1049 K1050 D1086 S1087 W1093	R1049-P1089 HydrophobicContact CB-CB 4.08Å; R1049-P1089 HydrophobicContact CB-CG 3.95Å; K1050-P1089 HydrophobicContact CB-CG 3.98Å; D1086-P1089 HydrophobicContact CB-CB 4.3Å; D1086-P1089 HydrophobicContact CB-CG 4.23Å; S1087-P1089 VanDerWaalsContact O-N 3.1Å; P1089-W1093 WeakPolarHBondContact O-CB 3.3Å; P1089-W1093 PolarHBondContact O-N 3.07Å
1090	V	81.5	Confident	77.2	Confident	27 Å²	27	52.8 Å²	52.8	16%	0.164	28%	0.276	C	S	.	.	H	α-helix	trans	-74.2	-40.9	175.1	176.9	0	0	0	0	110.4	A1046 E1047 K1050 D1088 W1093 K1094	A1046-V1090 HydrophobicContact CB-CG2 3.98Å; E1047-V1090 HydrophobicContact CG-CG2 4.14Å; K1050-V1090 HydrophobicContact CB-CG2 4.18Å; K1050-V1090 HydrophobicContact CD-CG2 3.86Å; D1088-V1090 PolarHBondContact O-N 3.42Å; D1088-V1090 PolarHBondContact OD1-N 2.73Å; D1088-V1090 VanDerWaalsContact OD1-N 3.16Å; V1090-W1093 PolarHBondContact O-N 3.23Å; V1090-K1094 WeakPolarHBondContact O-CG 3.43Å; V1090-K1094 PolarHBondContact O-N 3.12Å; V1090-K1094 VanDerWaalsContact O-N 3.09Å
1091	K	80.4	Confident	75.6	Confident	81 Å²	81	52.8 Å²	52.8	35%	0.352	28%	0.276	S	S	.	.	H	α-helix	trans	-65.1	-43.1	172.6	-167	-166.7	179.2	-163	0	111.4	D1088 W1093 K1094 E1095 D1127	D1088-K1091 HydrophobicContact CB-CB 3.76Å; D1088-K1091 CarbonylContact O-C 3.59Å; D1088-K1091 WeakPolarHBondContact O-CB 3.29Å; D1088-K1091 PolarHBondContact O-N 3.29Å; D1088-K1091 VanDerWaalsContact O-N 3.08Å; D1088-K1091 PolarHBondContact OD1-N 2.86Å; K1091-W1093 VanDerWaalsContact C-N 3.34Å; K1091-W1093 PolarHBondContact O-N 3.41Å; K1091-K1094 PolarHBondContact O-N 2.96Å; K1091-E1095 WeakPolarHBondContact CE-OE1 3.44Å; K1091-E1095 IonicContact NZ-OE1 3.14Å; K1091-E1095 WeakPolarHBondContact O-CB 3.43Å; K1091-E1095 WeakPolarHBondContact O-CG 3.3Å; K1091-E1095 PolarHBondContact O-N 3.25Å; K1091-D1127 HydrophobicContact CD-CB 4.27Å; K1091-D1127 IonicContact NZ-OD2 2.77Å; K1091-D1127 PolarHBondContact NZ-OD2 3.21Å
1092	A	77.9	Confident	73.9	Confident	45 Å²	45	48.4 Å²	48.4	37%	0.372	26%	0.264	S	S	.	.	H	α-helix	trans	-64.2	-37.3	178	0	0	0	0	0	112.1	D1088 S1096	D1088-A1092 WeakPolarHBondContact O-CB 3.48Å; D1088-A1092 PolarHBondContact O-N 3.06Å; A1092-S1096 WeakPolarHBondContact O-CB 3.5Å; A1092-S1096 PolarHBondContact O-N 3.3Å
1093	W	79.5	Confident	72.2	Confident	32 Å²	32	47.6 Å²	47.6	12%	0.121	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-48.3	172.4	-178.2	-118.7	0	0	0	111.7	A1046 P1089 V1090 K1091 S1096 I1097 I1428 P1429	A1046-W1093 HydrophobicContact CB-CB 3.92Å; A1046-W1093 HydrophobicContact CB-CG 4.32Å; P1089-W1093 WeakPolarHBondContact O-CB 3.3Å; P1089-W1093 PolarHBondContact O-N 3.07Å; V1090-W1093 PolarHBondContact O-N 3.23Å; K1091-W1093 VanDerWaalsContact C-N 3.34Å; K1091-W1093 PolarHBondContact O-N 3.41Å; W1093-S1096 WeakPolarHBondContact O-CA 3.34Å; W1093-S1096 WeakPolarHBondContact O-CB 3.39Å; W1093-S1096 PolarHBondContact O-N 2.97Å; W1093-S1096 PolarHBondContact O-OG 3.27Å; W1093-I1097 HydrophobicContact CD2-CD1 4.5Å; W1093-I1097 HydrophobicContact CZ2-CD1 4.21Å; W1093-I1097 HydrophobicContact CZ2-CG1 4.49Å; W1093-I1097 PolarHBondContact O-N 2.96Å; W1093-I1428 HydrophobicContact CH2-CG2 3.7Å; W1093-I1428 HydrophobicContact CZ2-CG2 3.86Å; W1093-P1429 HydrophobicContact CH2-CG 4.29Å; W1093-P1429 HydrophobicContact CZ3-CG 4.09Å
1094	K	74.1	Confident	70.4	Confident	105 Å²	105	48 Å²	48	46%	0.457	26%	0.259	S	S	.	.	H	α-helix	trans	-60	-49.4	175.1	-70.2	-176.9	178.8	-168.6	0	112.1	V1090 K1091 S1096 I1097 D1098	V1090-K1094 WeakPolarHBondContact O-CG 3.43Å; V1090-K1094 PolarHBondContact O-N 3.12Å; V1090-K1094 VanDerWaalsContact O-N 3.09Å; K1091-K1094 PolarHBondContact O-N 2.96Å; K1094-S1096 PolarHBondContact O-N 2.98Å; K1094-S1096 VanDerWaalsContact O-N 3.15Å; K1094-I1097 PolarHBondContact O-N 2.99Å; K1094-D1098 PolarHBondContact O-N 3.13Å
1095	E	72.2	Confident	68.3	Low	60 Å²	60	46.4 Å²	46.4	28%	0.28	25%	0.248	S	C	.	.	H	α-helix	trans	-58.3	-27.1	173.1	-77.3	-173.2	-145.3	0	0	112.7	K1091 K1099	K1091-E1095 WeakPolarHBondContact CE-OE1 3.44Å; K1091-E1095 IonicContact NZ-OE1 3.14Å; K1091-E1095 WeakPolarHBondContact O-CB 3.43Å; K1091-E1095 WeakPolarHBondContact O-CG 3.3Å; K1091-E1095 PolarHBondContact O-N 3.25Å; E1095-K1099 WeakPolarHBondContact O-CB 3.15Å; E1095-K1099 VanDerWaalsContact O-CD 3.25Å; E1095-K1099 WeakPolarHBondContact O-CD 3.36Å; E1095-K1099 WeakPolarHBondContact O-CG 3.32Å; E1095-K1099 PolarHBondContact O-N 2.88Å; E1095-K1099 IonicContact OE2-NZ 2.8Å; E1095-K1099 PolarHBondContact OE2-NZ 3.23Å
1096	S	72.1	Confident	66.3	Low	35 Å²	35	50.1 Å²	50.1	25%	0.245	27%	0.265	C	S	.	.	H	α-helix	trans	-77.4	-33.2	175.6	77.1	0	0	0	0	112.9	A1092 W1093 K1094 K1099 A1100	A1092-S1096 WeakPolarHBondContact O-CB 3.5Å; A1092-S1096 PolarHBondContact O-N 3.3Å; W1093-S1096 WeakPolarHBondContact O-CA 3.34Å; W1093-S1096 WeakPolarHBondContact O-CB 3.39Å; W1093-S1096 PolarHBondContact O-N 2.97Å; W1093-S1096 PolarHBondContact O-OG 3.27Å; K1094-S1096 PolarHBondContact O-N 2.98Å; K1094-S1096 VanDerWaalsContact O-N 3.15Å; S1096-K1099 PolarHBondContact O-N 3.48Å; S1096-A1100 VanDerWaalsContact O-CB 3.27Å; S1096-A1100 WeakPolarHBondContact O-CB 3.36Å; S1096-A1100 PolarHBondContact O-N 3.09Å
1097	I	70.7	Confident	64.4	Low	22 Å²	22	55.5 Å²	55.5	11%	0.113	29%	0.289	C	S	.	.	H	α-helix	trans	-68.6	-43.4	171.2	-68.1	168.2	0	0	0	110.1	Y1039 W1093 K1094 A1101 Q1421	Y1039-I1097 HydrophobicContact CD2-CD1 3.97Å; Y1039-I1097 HydrophobicContact CE2-CD1 3.89Å; W1093-I1097 HydrophobicContact CD2-CD1 4.5Å; W1093-I1097 HydrophobicContact CZ2-CD1 4.21Å; W1093-I1097 HydrophobicContact CZ2-CG1 4.49Å; W1093-I1097 PolarHBondContact O-N 2.96Å; K1094-I1097 PolarHBondContact O-N 2.99Å; I1097-A1101 PolarHBondContact O-N 2.89Å; I1097-Q1421 PolarHBondContact O-NE2 3.5Å
1098	D	63.3	Low	62.7	Low	36 Å²	36	60 Å²	60	19%	0.193	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-44.3	173.1	-63.6	-44.4	0	0	0	111.4	K1094 A1102 H1419	K1094-D1098 PolarHBondContact O-N 3.13Å; D1098-A1102 WeakPolarHBondContact O-CB 3.46Å; D1098-A1102 PolarHBondContact O-N 3.43Å; D1098-H1419 VanDerWaalsContact CG-ND1 3.29Å; D1098-H1419 IonicContact OD1-CE1 3.84Å; D1098-H1419 IonicContact OD1-CG 2.84Å; D1098-H1419 IonicContact OD1-ND1 2.77Å; D1098-H1419 PolarHBondContact OD1-ND1 3.18Å; D1098-H1419 IonicContact OD2-CE1 2.58Å; D1098-H1419 PolarHBondContact OD2-CE1 2.67Å; D1098-H1419 IonicContact OD2-ND1 3.25Å; D1098-H1419 PolarHBondContact OD2-ND1 3.43Å
1099	K	59.8	Low	60.9	Low	94 Å²	94	62.4 Å²	62.4	41%	0.409	33%	0.328	S	S	.	.	H	α-helix	trans	-71.6	-33.9	179.4	-75.2	163.9	-166.1	159.2	0	113.3	E1095 S1096 A1102 L1103	E1095-K1099 WeakPolarHBondContact O-CB 3.15Å; E1095-K1099 VanDerWaalsContact O-CD 3.25Å; E1095-K1099 WeakPolarHBondContact O-CD 3.36Å; E1095-K1099 WeakPolarHBondContact O-CG 3.32Å; E1095-K1099 PolarHBondContact O-N 2.88Å; E1095-K1099 IonicContact OE2-NZ 2.8Å; E1095-K1099 PolarHBondContact OE2-NZ 3.23Å; S1096-K1099 PolarHBondContact O-N 3.48Å; K1099-A1102 PolarHBondContact O-N 3.34Å; K1099-L1103 VanDerWaalsContact O-CB 3.26Å; K1099-L1103 WeakPolarHBondContact O-CB 3.36Å; K1099-L1103 WeakPolarHBondContact O-CD1 3.47Å; K1099-L1103 VanDerWaalsContact O-CG 3.23Å; K1099-L1103 WeakPolarHBondContact O-CG 3.22Å; K1099-L1103 PolarHBondContact O-N 2.84Å
1100	A	56.5	Low	58.8	Low	23 Å²	23	70.2 Å²	70.2	19%	0.19	36%	0.357	C	S	.	.	H	α-helix	trans	-61.6	-50.4	173.7	0	0	0	0	0	110.3	S1096 A1102 L1103 Q1104	S1096-A1100 VanDerWaalsContact O-CB 3.27Å; S1096-A1100 WeakPolarHBondContact O-CB 3.36Å; S1096-A1100 PolarHBondContact O-N 3.09Å; A1100-A1102 VanDerWaalsContact C-N 3.3Å; A1100-A1102 PolarHBondContact O-N 3Å; A1100-L1103 PolarHBondContact O-N 2.94Å; A1100-L1103 VanDerWaalsContact O-N 3.12Å; A1100-Q1104 PolarHBondContact O-N 2.98Å
1101	A	51.6	Low	56.6	Low	1 Å²	1	75.1 Å²	75.1	1%	0.008	39%	0.387	C	S	.	.	H	α-helix	trans	-61.5	-35	176	0	0	0	0	0	113.1	I1097 Q1421 K1424	I1097-A1101 PolarHBondContact O-N 2.89Å; A1101-Q1421 HydrophobicContact CB-CB 4.3Å; A1101-Q1421 HydrophobicContact CB-CG 3.63Å; A1101-K1424 VanDerWaalsContact O-CD 3.25Å; A1101-K1424 WeakPolarHBondContact O-CD 3.06Å; A1101-K1424 WeakPolarHBondContact O-CE 3.25Å; A1101-K1424 PolarHBondContact O-NZ 2.86Å
1102	A	48.4	Very low	54.5	Low	40 Å²	40	78.8 Å²	78.8	33%	0.331	41%	0.41	S	S	.	.	H	α-helix	trans	-79.3	-17.2	175.9	0	0	0	0	0	114.6	D1098 K1099 A1100	D1098-A1102 WeakPolarHBondContact O-CB 3.46Å; D1098-A1102 PolarHBondContact O-N 3.43Å; K1099-A1102 PolarHBondContact O-N 3.34Å; A1100-A1102 VanDerWaalsContact C-N 3.3Å; A1100-A1102 PolarHBondContact O-N 3Å
1103	L	48.4	Very low	52.5	Low	101 Å²	101	86.2 Å²	86.2	53%	0.529	44%	0.437	S	S	.	.	H	α-helix	trans	-88.8	-43.7	177.6	-80.9	166.6	0	0	0	111.9	K1099 A1100 E1105 Q1106 E1107	K1099-L1103 VanDerWaalsContact O-CB 3.26Å; K1099-L1103 WeakPolarHBondContact O-CB 3.36Å; K1099-L1103 WeakPolarHBondContact O-CD1 3.47Å; K1099-L1103 VanDerWaalsContact O-CG 3.23Å; K1099-L1103 WeakPolarHBondContact O-CG 3.22Å; K1099-L1103 PolarHBondContact O-N 2.84Å; A1100-L1103 PolarHBondContact O-N 2.94Å; A1100-L1103 VanDerWaalsContact O-N 3.12Å; L1103-E1105 PolarHBondContact O-N 2.74Å; L1103-Q1106 WeakPolarHBondContact O-CA 3.25Å; L1103-Q1106 PolarHBondContact O-N 3.45Å; L1103-E1107 PolarHBondContact O-N 2.92Å
1104	Q	44.8	Very low	50.2	Low	39 Å²	39	89.4 Å²	89.4	18%	0.182	47%	0.471	C	S	.	.	H	α-helix	trans	-52.2	-37.5	168.1	-77.6	177.1	-44.9	0	0	111.1	A1100 Q1106 E1107 E1108 K1424 E1425	A1100-Q1104 PolarHBondContact O-N 2.98Å; Q1104-Q1106 PolarHBondContact O-N 2.95Å; Q1104-Q1106 VanDerWaalsContact O-N 3.14Å; Q1104-E1107 PolarHBondContact O-N 2.91Å; Q1104-E1108 PolarHBondContact O-N 3.37Å; Q1104-E1108 VanDerWaalsContact O-N 3.08Å; Q1104-K1424 HydrophobicContact CB-CD 3.7Å; Q1104-E1425 PolarHBondContact NE2-O 3.02Å; Q1104-E1425 PolarHBondContact OE1-O 2.84Å
1105	E	40.8	Very low	48.2	Very low	105 Å²	105	91.3 Å²	91.3	49%	0.491	49%	0.491	S	S	.	.	H	α-helix	trans	-60.7	-21.7	176	-158.5	159.8	-88.5	0	0	114.2	L1103 A1109 K1424	L1103-E1105 PolarHBondContact O-N 2.74Å; E1105-A1109 WeakPolarHBondContact O-CB 3.5Å; E1105-K1424 IonicContact OE1-NZ 2.67Å; E1105-K1424 PolarHBondContact OE1-NZ 2.84Å
1106	Q	44.2	Very low	46.3	Very low	85 Å²	85	93.2 Å²	93.2	40%	0.397	51%	0.51	S	S	.	.	H	α-helix	trans	-98.8	-15.2	175.8	-63.2	-170.9	33.5	0	0	113.7	L1103 Q1104 R1110	L1103-Q1106 WeakPolarHBondContact O-CA 3.25Å; L1103-Q1106 PolarHBondContact O-N 3.45Å; Q1104-Q1106 PolarHBondContact O-N 2.95Å; Q1104-Q1106 VanDerWaalsContact O-N 3.14Å; Q1106-R1110 WeakPolarHBondContact O-CB 3.49Å; Q1106-R1110 VanDerWaalsContact O-CD 3.27Å; Q1106-R1110 WeakPolarHBondContact O-CD 3.32Å; Q1106-R1110 WeakPolarHBondContact O-CG 3.42Å; Q1106-R1110 VanDerWaalsContact OE1-NH1 3.1Å
1107	E	42.7	Very low	44.2	Very low	154 Å²	154	101 Å²	101	72%	0.72	54%	0.543	S	S	*	.	H	α-helix	trans	-88.6	-43.4	178.1	-66.4	-169.5	136.7	0	0	110.8	L1103 Q1104 A1109 R1110	L1103-E1107 PolarHBondContact O-N 2.92Å; Q1104-E1107 PolarHBondContact O-N 2.91Å; E1107-A1109 PolarHBondContact O-N 2.93Å; E1107-R1110 PolarHBondContact O-N 3.18Å
1108	E	42.7	Very low	42.2	Very low	142 Å²	142	105.6 Å²	105.6	66%	0.664	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-28.7	170.7	-65.7	-176.6	151	0	0	112.8	Q1104	Q1104-E1108 PolarHBondContact O-N 3.37Å; Q1104-E1108 VanDerWaalsContact O-N 3.08Å
1109	A	46.5	Very low	40.5	Very low	75 Å²	75	112.7 Å²	112.7	62%	0.62	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	1.5	-176	0	0	0	0	0	114.8	E1105 E1107	E1105-A1109 WeakPolarHBondContact O-CB 3.5Å; E1107-A1109 PolarHBondContact O-N 2.93Å
1110	R	36	Very low	39	Very low	173 Å²	173	113.1 Å²	113.1	65%	0.653	63%	0.626	S	S	*	*			trans	-114.9	71.3	-172.5	-82.4	-177	-179.7	133.3	9.6	114.2	Q1106 E1107	Q1106-R1110 WeakPolarHBondContact O-CB 3.49Å; Q1106-R1110 VanDerWaalsContact O-CD 3.27Å; Q1106-R1110 WeakPolarHBondContact O-CD 3.32Å; Q1106-R1110 WeakPolarHBondContact O-CG 3.42Å; Q1106-R1110 VanDerWaalsContact OE1-NH1 3.1Å; E1107-R1110 PolarHBondContact O-N 3.18Å
1111	T	36.2	Very low	37.7	Very low	130 Å²	130	118.4 Å²	118.4	80%	0.798	66%	0.655	S	S	*	*			trans	-101.1	141.3	141.4	36.9	0	0	0	0	109.6
1112	D	36.3	Very low	36.8	Very low	158 Å²	158	127.1 Å²	127.1	85%	0.845	70%	0.695	S	S	*	*	S	Bend	trans	71.1	127	-178.7	-62.9	-20.2	0	0	0	120.1
1113	E	35.9	Very low	36.2	Very low	200 Å²	200	129 Å²	129	94%	0.935	71%	0.712	S	S	*	*			trans	53.1	118.8	165.3	-54.9	-155	147.5	0	0	121.4
1114	A	31.1	Very low	36.3	Very low	100 Å²	100	127.6 Å²	127.6	83%	0.826	72%	0.721	S	S	*	*			trans	-99	135.4	172.4	0	0	0	0	0	112.4
1115	V	31.6	Very low	36.9	Very low	145 Å²	145	133.8 Å²	133.8	88%	0.879	75%	0.75	S	S	*	*			trans	-159.1	146.8	160	127.7	0	0	0	0	112
1116	S	32.7	Very low	38.1	Very low	99 Å²	99	131 Å²	131	69%	0.692	74%	0.741	S	S	*	*			trans	63.1	101.3	166.2	-155.3	0	0	0	0	119.8
1117	Q	28.7	Very low	39.5	Very low	199 Å²	199	128.4 Å²	128.4	93%	0.93	73%	0.73	S	S	*	*			trans	-81.5	109.3	157.5	-67.6	172.6	-20.2	0	0	110.4
1118	T	28.1	Very low	41.5	Very low	119 Å²	119	121.5 Å²	121.5	73%	0.73	70%	0.697	S	S	*	*			trans	-161.6	163.2	159.9	-16.6	0	0	0	0	111.1
1119	E	27.6	Very low	43.3	Very low	184 Å²	184	117.3 Å²	117.3	86%	0.86	68%	0.679	S	S	*	*			trans	65.8	60.3	177.7	-57.8	-169.3	-179.3	0	0	116
1120	A	27.7	Very low	45.2	Very low	104 Å²	104	114.6 Å²	114.6	86%	0.86	65%	0.653	S	S	*	*			trans	-72.3	122.7	160.7	0	0	0	0	0	110.8	E1122	A1120-E1122 PolarHBondContact O-N 3.06Å; A1120-E1122 VanDerWaalsContact O-N 3.17Å
1121	V	30.7	Very low	47.6	Very low	133 Å²	133	106.4 Å²	106.4	81%	0.806	62%	0.623	S	S	*	*			trans	-82.7	91.1	-177.4	-177.8	0	0	0	0	111.2	A1123	V1121-A1123 PolarHBondContact O-N 2.82Å
1122	E	30.9	Very low	49.8	Very low	184 Å²	184	102.5 Å²	102.5	86%	0.86	60%	0.596	S	S	*	*	S	Bend	trans	41.2	-0.1	160.7	-58.6	-157.6	127.2	0	0	122	A1120 G1124	A1120-E1122 PolarHBondContact O-N 3.06Å; A1120-E1122 VanDerWaalsContact O-N 3.17Å; E1122-G1124 PolarHBondContact O-N 3.31Å
1123	A	37.5	Very low	52.1	Low	81 Å²	81	100.6 Å²	100.6	67%	0.669	59%	0.586	S	S	*	*			trans	-81	74.8	-175.8	0	0	0	0	0	112.8	V1121	V1121-A1123 PolarHBondContact O-N 2.82Å
1124	G	49.9	Very low	54.5	Low	71 Å²	71	92.8 Å²	92.8	73%	0.732	55%	0.55	S	S	*	*			trans	-168.8	16	-178.5	0	0	0	0	0	118.7	E1122	E1122-G1124 PolarHBondContact O-N 3.31Å
1125	Q	57.3	Low	57	Low	169 Å²	169	91 Å²	91	79%	0.79	53%	0.53	S	S	*	.			trans	-86.5	130.5	173.6	-64.6	-164.7	26.5	0	0	111.2	D1127	Q1125-D1127 PolarHBondContact O-N 3Å
1126	P	65	Low	59.4	Low	47 Å²	47	91 Å²	91	31%	0.305	53%	0.525	S	S	.	.			trans	-58.1	126.3	176.4	-26.8	35.7	0	0	0	112.8	Y1128	P1126-Y1128 HydrophobicContact CB-CD2 4.19Å; P1126-Y1128 HydrophobicContact CB-CE2 3.61Å
1127	D	75.2	Confident	61.9	Low	29 Å²	29	93.1 Å²	93.1	16%	0.155	52%	0.517	C	S	.	.			trans	-100.7	108.3	-178.3	-162.8	-26.3	0	0	0	110.5	S1087 D1088 K1091 Q1125 N1129	S1087-D1127 PolarHBondContact OG-N 2.83Å; D1088-D1127 PolarHBondContact N-O 2.99Å; K1091-D1127 HydrophobicContact CD-CB 4.27Å; K1091-D1127 IonicContact NZ-OD2 2.77Å; K1091-D1127 PolarHBondContact NZ-OD2 3.21Å; Q1125-D1127 PolarHBondContact O-N 3Å; D1127-N1129 VanDerWaalsContact OD1-CB 3.28Å; D1127-N1129 WeakPolarHBondContact OD1-CB 3.38Å; D1127-N1129 VanDerWaalsContact OD1-CG 3.25Å; D1127-N1129 PolarHBondContact OD1-N 3.45Å; D1127-N1129 PolarHBondContact OD1-ND2 2.88Å
1128	Y	83.7	Confident	64.5	Low	9 Å²	9	84 Å²	84	4%	0.035	48%	0.476	C	S	.	.			trans	-108.3	15.2	177.5	-68.4	-70.9	0	0	0	112.6	I1077 L1080 K1081 Y1085 D1086 P1126 Y1130 I1131 L1132	I1077-Y1128 HydrophobicContact CB-CD2 4.36Å; I1077-Y1128 HydrophobicContact CG1-CD2 4.26Å; I1077-Y1128 HydrophobicContact CG2-CD2 4.03Å; I1077-Y1128 HydrophobicContact CG2-CE2 4.23Å; L1080-Y1128 HydrophobicContact CB-CD1 3.87Å; L1080-Y1128 HydrophobicContact CB-CD2 4.22Å; L1080-Y1128 HydrophobicContact CB-CE1 3.82Å; L1080-Y1128 HydrophobicContact CB-CE2 4.16Å; L1080-Y1128 HydrophobicContact CB-CG 4.07Å; L1080-Y1128 HydrophobicContact CD1-CD1 3.88Å; L1080-Y1128 HydrophobicContact CD1-CD2 4.4Å; L1080-Y1128 HydrophobicContact CD1-CG 3.73Å; L1080-Y1128 HydrophobicContact CG-CD1 4.47Å; K1081-Y1128 WeakPolarHBondContact CA-OH 3.23Å; K1081-Y1128 HydrophobicContact CB-CE2 4.42Å; Y1085-Y1128 WeakPolarHBondContact O-CE1 3.27Å; Y1085-Y1128 PolarHBondContact O-OH 2.95Å; D1086-Y1128 WeakPolarHBondContact O-CD1 3.41Å; D1086-Y1128 WeakPolarHBondContact O-CE1 3.36Å; P1126-Y1128 HydrophobicContact CB-CD2 4.19Å; P1126-Y1128 HydrophobicContact CB-CE2 3.61Å; Y1128-Y1130 HydrophobicContact CD1-CE1 4.46Å; Y1128-Y1130 PolarHBondContact O-N 3.48Å; Y1128-I1131 PolarHBondContact O-N 3.12Å; Y1128-L1132 WeakPolarHBondContact O-CG 3.43Å; Y1128-L1132 PolarHBondContact O-N 3.25Å
1129	N	81.9	Confident	67.1	Low	54 Å²	54	80.8 Å²	80.8	29%	0.289	45%	0.454	S	S	.	.	H	α-helix	trans	-62.5	-27.3	-174.5	-68.1	-53.5	0	0	0	112.8	K1073 D1127 I1131 L1132 N1133	K1073-N1129 PolarHBondContact NZ-OD1 2.55Å; D1127-N1129 VanDerWaalsContact OD1-CB 3.28Å; D1127-N1129 WeakPolarHBondContact OD1-CB 3.38Å; D1127-N1129 VanDerWaalsContact OD1-CG 3.25Å; D1127-N1129 PolarHBondContact OD1-N 3.45Å; D1127-N1129 PolarHBondContact OD1-ND2 2.88Å; N1129-I1131 PolarHBondContact O-N 3.33Å; N1129-L1132 PolarHBondContact O-N 3.45Å; N1129-N1133 WeakPolarHBondContact O-CB 3.43Å; N1129-N1133 VanDerWaalsContact O-CG 3.24Å; N1129-N1133 PolarHBondContact O-N 2.89Å
1130	Y	84.8	Confident	69.9	Low	18 Å²	18	74.9 Å²	74.9	7%	0.071	43%	0.43	C	S	.	.	H	α-helix	trans	-64.3	-20.6	174.7	79.6	-78.4	0	0	0	114.7	K1050 N1053 Q1054 D1086 D1088 Y1128 M1134	K1050-Y1130 HydrophobicContact CG-CD2 3.63Å; K1050-Y1130 HydrophobicContact CG-CE2 3.99Å; K1050-Y1130 HydrophobicContact CG-CG 4.44Å; N1053-Y1130 HydrophobicContact CB-CE2 3.91Å; N1053-Y1130 VanDerWaalsContact CB-OH 3.28Å; N1053-Y1130 WeakPolarHBondContact CB-OH 3.43Å; Q1054-Y1130 HydrophobicContact CG-CD2 3.91Å; Q1054-Y1130 HydrophobicContact CG-CE2 4.16Å; Q1054-Y1130 PolarHBondContact NE2-O 3.28Å; D1086-Y1130 WeakPolarHBondContact O-CE1 3.46Å; D1086-Y1130 PolarHBondContact O-OH 3.24Å; D1088-Y1130 VanDerWaalsContact CA-CE1 3.5Å; D1088-Y1130 HydrophobicContact CB-CD1 3.64Å; D1088-Y1130 HydrophobicContact CB-CE1 4.08Å; D1088-Y1130 HydrophobicContact CB-CG 4.38Å; Y1128-Y1130 HydrophobicContact CD1-CE1 4.46Å; Y1128-Y1130 PolarHBondContact O-N 3.48Å; Y1130-M1134 WeakPolarHBondContact O-CG 3.39Å
1131	I	86.2	Confident	72.6	Confident	2 Å²	2	77.5 Å²	77.5	1%	0.01	42%	0.422	C	S	.	.	H	α-helix	trans	-96.6	-49.1	171	-60.7	178.8	0	0	0	109.6	F1057 L1080 Y1085 Y1128 N1129 N1133 M1134	F1057-I1131 HydrophobicContact CB-CG2 4.03Å; F1057-I1131 HydrophobicContact CD1-CG2 3.54Å; F1057-I1131 HydrophobicContact CD2-CG2 3.4Å; F1057-I1131 HydrophobicContact CE1-CG2 3.71Å; F1057-I1131 HydrophobicContact CE2-CG2 3.57Å; F1057-I1131 HydrophobicContact CG-CG2 3.37Å; F1057-I1131 HydrophobicContact CZ-CG2 3.73Å; L1080-I1131 HydrophobicContact CD1-CG2 4.43Å; L1080-I1131 HydrophobicContact CD2-CD1 4.27Å; Y1085-I1131 HydrophobicContact CD1-CD1 3.56Å; Y1085-I1131 HydrophobicContact CE1-CD1 4.16Å; Y1085-I1131 HydrophobicContact CG-CD1 4.25Å; Y1128-I1131 PolarHBondContact O-N 3.12Å; N1129-I1131 PolarHBondContact O-N 3.33Å; I1131-N1133 PolarHBondContact O-N 3.39Å; I1131-M1134 WeakPolarHBondContact O-CB 3.48Å; I1131-M1134 VanDerWaalsContact O-CG 3.31Å; I1131-M1134 WeakPolarHBondContact O-CG 3.26Å; I1131-M1134 PolarHBondContact O-N 3.15Å; I1131-M1134 VanDerWaalsContact O-N 3.08Å
1132	L	83.7	Confident	75.3	Confident	47 Å²	47	78.8 Å²	78.8	25%	0.246	42%	0.42	C	S	.	.	H	α-helix	trans	-68.7	-18.5	-172.5	-62.6	175.1	0	0	0	114.1	K1073 L1076 I1077 L1080 Y1128 N1129	K1073-L1132 HydrophobicContact CG-CD1 4.29Å; L1076-L1132 HydrophobicContact CB-CD2 4.08Å; L1076-L1132 HydrophobicContact CD1-CD2 4.2Å; I1077-L1132 HydrophobicContact CG1-CD1 4.08Å; L1080-L1132 HydrophobicContact CD1-CD2 4.04Å; L1080-L1132 HydrophobicContact CD1-CG 4.27Å; Y1128-L1132 WeakPolarHBondContact O-CG 3.43Å; Y1128-L1132 PolarHBondContact O-N 3.25Å; N1129-L1132 PolarHBondContact O-N 3.45Å
1133	N	84.9	Confident	77.9	Confident	118 Å²	118	73.6 Å²	73.6	63%	0.631	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	6.1	175.4	-59.9	-6.6	0	0	0	113	N1129 I1131	N1129-N1133 WeakPolarHBondContact O-CB 3.43Å; N1129-N1133 VanDerWaalsContact O-CG 3.24Å; N1129-N1133 PolarHBondContact O-N 2.89Å; I1131-N1133 PolarHBondContact O-N 3.39Å
1134	M	85.2	Confident	80.3	Confident	37 Å²	37	71.7 Å²	71.7	18%	0.182	37%	0.369	C	S	.	.			trans	-62.3	129	174.8	-69.3	-179.3	73.8	0	0	110	Q1054 F1057 V1058 Y1130 I1131 L1147	Q1054-M1134 HydrophobicContact CB-CE 4.04Å; Q1054-M1134 HydrophobicContact CB-SD 3.97Å; Q1054-M1134 HydrophobicContact CG-CE 4.3Å; Q1054-M1134 HydrophobicContact CG-SD 3.74Å; F1057-M1134 HydrophobicContact CD1-SD 4.34Å; V1058-M1134 HydrophobicContact CG2-CE 3.59Å; V1058-M1134 HydrophobicContact CG2-SD 4.47Å; Y1130-M1134 WeakPolarHBondContact O-CG 3.39Å; I1131-M1134 WeakPolarHBondContact O-CB 3.48Å; I1131-M1134 VanDerWaalsContact O-CG 3.31Å; I1131-M1134 WeakPolarHBondContact O-CG 3.26Å; I1131-M1134 PolarHBondContact O-N 3.15Å; I1131-M1134 VanDerWaalsContact O-N 3.08Å; M1134-L1147 HydrophobicContact CE-CD1 3.8Å
1135	P	84.7	Confident	82.1	Confident	62 Å²	62	71.4 Å²	71.4	40%	0.403	35%	0.35	S	S	.	.			trans	-69.8	149.2	-179.4	30.4	-35.3	0	0	0	110.6	W1137 S1138	P1135-W1137 PolarHBondContact O-N 3.37Å; P1135-S1138 VanDerWaalsContact O-CB 3.31Å; P1135-S1138 WeakPolarHBondContact O-CB 3.36Å; P1135-S1138 PolarHBondContact O-N 3.34Å; P1135-S1138 PolarHBondContact O-OG 3.38Å
1136	L	81.5	Confident	83.7	Confident	145 Å²	145	66 Å²	66	76%	0.759	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-57.9	-28.4	-171.8	-170.6	66.5	0	0	0	113.6	S1138 L1139	L1136-S1138 PolarHBondContact O-N 3.24Å; L1136-L1139 HydrophobicContact CD1-CD1 3.93Å; L1136-L1139 WeakPolarHBondContact O-CB 3.11Å; L1136-L1139 PolarHBondContact O-N 3.09Å
1137	W	85.7	Confident	84.8	Confident	143 Å²	143	64.1 Å²	64.1	54%	0.542	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-69.7	-13.7	176.8	73.1	-96.8	0	0	0	113.7	P1135 L1139 T1140 R1143	P1135-W1137 PolarHBondContact O-N 3.37Å; W1137-L1139 PolarHBondContact O-N 3.24Å; W1137-L1139 VanDerWaalsContact O-N 3.16Å; W1137-T1140 HydrophobicContact CB-CG2 4.44Å; W1137-T1140 VanDerWaalsContact O-CB 3.29Å; W1137-T1140 WeakPolarHBondContact O-CB 3.06Å; W1137-T1140 WeakPolarHBondContact O-CG2 3.41Å; W1137-T1140 PolarHBondContact O-N 3.4Å; W1137-T1140 PolarHBondContact O-OG1 3.3Å; W1137-R1143 HydrophobicContact CE3-CB 3.85Å; W1137-R1143 HydrophobicContact CE3-CG 3.96Å; W1137-R1143 HydrophobicContact CH2-CG 4.05Å; W1137-R1143 HydrophobicContact CZ3-CB 3.64Å; W1137-R1143 HydrophobicContact CZ3-CG 3.48Å; W1137-R1143 VanDerWaalsContact CZ3-CG 3.48Å
1138	S	82.1	Confident	85.4	Confident	8 Å²	8	64.2 Å²	64.2	6%	0.056	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-65.6	-10.7	169.4	-56.5	0	0	0	0	113.6	P1135 L1136 T1140	P1135-S1138 VanDerWaalsContact O-CB 3.31Å; P1135-S1138 WeakPolarHBondContact O-CB 3.36Å; P1135-S1138 PolarHBondContact O-N 3.34Å; P1135-S1138 PolarHBondContact O-OG 3.38Å; L1136-S1138 PolarHBondContact O-N 3.24Å; S1138-T1140 VanDerWaalsContact C-N 3.34Å
1139	L	83.3	Confident	85.8	Confident	52 Å²	52	66.5 Å²	66.5	27%	0.272	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-85.7	-1.2	169.7	-55.3	-178.2	0	0	0	113.6	V1058 K1061 L1136 W1137	V1058-L1139 HydrophobicContact CB-CD2 4.35Å; V1058-L1139 HydrophobicContact CG1-CD2 4.02Å; V1058-L1139 HydrophobicContact CG2-CD2 4.14Å; K1061-L1139 HydrophobicContact CB-CD2 4.3Å; K1061-L1139 HydrophobicContact CG-CD1 4Å; K1061-L1139 HydrophobicContact CG-CD2 3.94Å; L1136-L1139 HydrophobicContact CD1-CD1 3.93Å; L1136-L1139 WeakPolarHBondContact O-CB 3.11Å; L1136-L1139 PolarHBondContact O-N 3.09Å; W1137-L1139 PolarHBondContact O-N 3.24Å; W1137-L1139 VanDerWaalsContact O-N 3.16Å
1140	T	86.1	Confident	86.2	Confident	59 Å²	59	66.7 Å²	66.7	36%	0.362	34%	0.335	S	S	.	.	S	Bend	trans	-67.1	154.9	173.7	57.3	0	0	0	0	111.2	W1137 S1138 E1142 R1143 K1144	W1137-T1140 HydrophobicContact CB-CG2 4.44Å; W1137-T1140 VanDerWaalsContact O-CB 3.29Å; W1137-T1140 WeakPolarHBondContact O-CB 3.06Å; W1137-T1140 WeakPolarHBondContact O-CG2 3.41Å; W1137-T1140 PolarHBondContact O-N 3.4Å; W1137-T1140 PolarHBondContact O-OG1 3.3Å; S1138-T1140 VanDerWaalsContact C-N 3.34Å; T1140-E1142 VanDerWaalsContact C-N 3.29Å; T1140-E1142 PolarHBondContact O-N 2.81Å; T1140-R1143 PolarHBondContact OG1-N 2.58Å; T1140-K1144 WeakPolarHBondContact O-CB 3.16Å; T1140-K1144 PolarHBondContact O-N 3.09Å
1141	K	85.1	Confident	86.4	Confident	160 Å²	160	68.6 Å²	68.6	70%	0.696	34%	0.342	S	S	*	.	H	α-helix	trans	-55.6	-47.1	177	-171.4	-157.2	169.8	-147	0	111.1	K1144 D1145	K1141-K1144 PolarHBondContact O-N 3.43Å; K1141-D1145 WeakPolarHBondContact CE-OD2 3.47Å; K1141-D1145 IonicContact NZ-OD2 3.54Å; K1141-D1145 WeakPolarHBondContact O-CB 3.23Å; K1141-D1145 PolarHBondContact O-N 3.17Å
1142	E	87	Confident	86.6	Confident	160 Å²	160	72 Å²	72	75%	0.748	36%	0.36	S	S	*	.	H	α-helix	trans	-60.4	-56.7	-177.7	-71.6	157.2	-168.9	0	0	111.4	T1140 K1144 D1145 D1146	T1140-E1142 VanDerWaalsContact C-N 3.29Å; T1140-E1142 PolarHBondContact O-N 2.81Å; E1142-K1144 PolarHBondContact O-N 2.88Å; E1142-D1145 PolarHBondContact O-N 2.98Å; E1142-D1145 VanDerWaalsContact O-N 3.11Å; E1142-D1146 VanDerWaalsContact O-CB 3.29Å; E1142-D1146 WeakPolarHBondContact O-CB 3.35Å; E1142-D1146 PolarHBondContact O-N 2.8Å
1143	R	85.7	Confident	87	Confident	75 Å²	75	72.4 Å²	72.4	28%	0.283	37%	0.37	S	S	.	.	H	α-helix	trans	-67	-23.8	179.3	-165.8	51.3	162.8	-156.3	-5.5	113.2	W1137 T1140 D1146 L1147	W1137-R1143 HydrophobicContact CE3-CB 3.85Å; W1137-R1143 HydrophobicContact CE3-CG 3.96Å; W1137-R1143 HydrophobicContact CH2-CG 4.05Å; W1137-R1143 HydrophobicContact CZ3-CB 3.64Å; W1137-R1143 HydrophobicContact CZ3-CG 3.48Å; W1137-R1143 VanDerWaalsContact CZ3-CG 3.48Å; T1140-R1143 PolarHBondContact OG1-N 2.58Å; R1143-D1146 WeakPolarHBondContact CD-OD2 3.46Å; R1143-D1146 IonicContact CZ-OD2 3.05Å; R1143-D1146 IonicContact NE-OD2 3.57Å; R1143-D1146 PolarHBondContact NE-OD2 3.08Å; R1143-D1146 IonicContact NH1-OD2 2.71Å; R1143-D1146 PolarHBondContact NH1-OD2 3.21Å; R1143-L1147 HydrophobicContact CG-CD1 4.37Å; R1143-L1147 HydrophobicContact CG-CG 4.47Å; R1143-L1147 VanDerWaalsContact O-CB 3.28Å; R1143-L1147 WeakPolarHBondContact O-CB 3.23Å; R1143-L1147 WeakPolarHBondContact O-CD1 3.42Å; R1143-L1147 WeakPolarHBondContact O-CG 3.38Å; R1143-L1147 PolarHBondContact O-N 3.22Å
1144	K	86.8	Confident	87.2	Confident	40 Å²	40	69.3 Å²	69.3	17%	0.174	35%	0.351	C	S	.	.	H	α-helix	trans	-74.1	-37.9	171.5	-179.4	-114.4	60.2	174	0	112.6	V1058 L1059 I1062 T1140 K1141 E1142 L1148	V1058-K1144 HydrophobicContact CG1-CB 3.92Å; V1058-K1144 HydrophobicContact CG1-CG 3.72Å; L1059-K1144 HydrophobicContact CD2-CD 4.08Å; L1059-K1144 HydrophobicContact CD2-CG 4.49Å; I1062-K1144 HydrophobicContact CD1-CB 4.3Å; I1062-K1144 HydrophobicContact CD1-CD 4.15Å; I1062-K1144 HydrophobicContact CD1-CG 3.92Å; T1140-K1144 WeakPolarHBondContact O-CB 3.16Å; T1140-K1144 PolarHBondContact O-N 3.09Å; K1141-K1144 PolarHBondContact O-N 3.43Å; E1142-K1144 PolarHBondContact O-N 2.88Å; K1144-L1148 WeakPolarHBondContact O-CD1 3.36Å; K1144-L1148 VanDerWaalsContact O-CG 3.31Å; K1144-L1148 WeakPolarHBondContact O-CG 3.32Å; K1144-L1148 PolarHBondContact O-N 3.29Å
1145	D	89.3	Confident	87.4	Confident	65 Å²	65	70.7 Å²	70.7	35%	0.348	36%	0.357	S	S	.	.	H	α-helix	trans	-69.7	-40.2	174.7	-76.6	-33.6	0	0	0	110.2	K1141 E1142 L1148 A1149	K1141-D1145 WeakPolarHBondContact CE-OD2 3.47Å; K1141-D1145 IonicContact NZ-OD2 3.54Å; K1141-D1145 WeakPolarHBondContact O-CB 3.23Å; K1141-D1145 PolarHBondContact O-N 3.17Å; E1142-D1145 PolarHBondContact O-N 2.98Å; E1142-D1145 VanDerWaalsContact O-N 3.11Å; D1145-L1148 PolarHBondContact O-N 2.88Å; D1145-A1149 PolarHBondContact O-N 2.96Å
1146	D	89.6	Confident	87.7	Confident	57 Å²	57	74.4 Å²	74.4	31%	0.305	37%	0.367	S	S	.	.	H	α-helix	trans	-64.5	-49	174.6	170.8	36.2	0	0	0	113.3	E1142 R1143 L1148 A1149 Q1150	E1142-D1146 VanDerWaalsContact O-CB 3.29Å; E1142-D1146 WeakPolarHBondContact O-CB 3.35Å; E1142-D1146 PolarHBondContact O-N 2.8Å; R1143-D1146 WeakPolarHBondContact CD-OD2 3.46Å; R1143-D1146 IonicContact CZ-OD2 3.05Å; R1143-D1146 IonicContact NE-OD2 3.57Å; R1143-D1146 PolarHBondContact NE-OD2 3.08Å; R1143-D1146 IonicContact NH1-OD2 2.71Å; R1143-D1146 PolarHBondContact NH1-OD2 3.21Å; D1146-L1148 PolarHBondContact O-N 2.82Å; D1146-L1148 VanDerWaalsContact O-N 3.16Å; D1146-A1149 CarbonylContact O-C 3.58Å; D1146-A1149 WeakPolarHBondContact O-CA 3.29Å; D1146-A1149 WeakPolarHBondContact O-CB 3.48Å; D1146-A1149 PolarHBondContact O-N 3.46Å; D1146-Q1150 WeakPolarHBondContact O-CG 3.33Å; D1146-Q1150 PolarHBondContact O-N 3.36Å; D1146-Q1150 PolarHBondContact OD1-NE2 3.1Å; D1146-Q1150 PolarHBondContact OD2-NE2 3.44Å; D1146-Q1150 VanDerWaalsContact OD2-NE2 3.16Å
1147	L	87.7	Confident	88.1	Confident	7 Å²	7	71.6 Å²	71.6	4%	0.037	35%	0.35	C	S	.	.	H	α-helix	trans	-57.9	-30.9	174.2	-80.1	168.4	0	0	0	113.2	L1051 V1058 M1134 R1143 R1151	L1051-L1147 HydrophobicContact CD2-CD2 4.16Å; V1058-L1147 HydrophobicContact CG2-CD1 4.23Å; M1134-L1147 HydrophobicContact CE-CD1 3.8Å; R1143-L1147 HydrophobicContact CG-CD1 4.37Å; R1143-L1147 HydrophobicContact CG-CG 4.47Å; R1143-L1147 VanDerWaalsContact O-CB 3.28Å; R1143-L1147 WeakPolarHBondContact O-CB 3.23Å; R1143-L1147 WeakPolarHBondContact O-CD1 3.42Å; R1143-L1147 WeakPolarHBondContact O-CG 3.38Å; R1143-L1147 PolarHBondContact O-N 3.22Å; L1147-R1151 WeakPolarHBondContact O-CB 3.44Å; L1147-R1151 PolarHBondContact O-N 2.89Å; L1147-R1151 VanDerWaalsContact O-N 3.12Å
1148	L	88.8	Confident	88.3	Confident	31 Å²	31	65.8 Å²	65.8	16%	0.162	33%	0.329	C	S	.	.	H	α-helix	trans	-73.1	-41.1	173	-71.8	166.9	0	0	0	111.5	A1055 L1059 K1144 D1145 D1146 R1151 D1152	A1055-L1148 HydrophobicContact CB-CD2 3.87Å; A1055-L1148 HydrophobicContact CB-CG 4.45Å; L1059-L1148 HydrophobicContact CD1-CD2 4.29Å; K1144-L1148 WeakPolarHBondContact O-CD1 3.36Å; K1144-L1148 VanDerWaalsContact O-CG 3.31Å; K1144-L1148 WeakPolarHBondContact O-CG 3.32Å; K1144-L1148 PolarHBondContact O-N 3.29Å; D1145-L1148 PolarHBondContact O-N 2.88Å; D1146-L1148 PolarHBondContact O-N 2.82Å; D1146-L1148 VanDerWaalsContact O-N 3.16Å; L1148-R1151 PolarHBondContact O-N 3.38Å; L1148-D1152 WeakPolarHBondContact O-CB 3.49Å; L1148-D1152 PolarHBondContact O-N 3.19Å
1149	A	91.2	Very high	88.8	Confident	57 Å²	57	71.2 Å²	71.2	47%	0.471	36%	0.357	S	S	.	.	H	α-helix	trans	-62.5	-42.6	174.2	0	0	0	0	0	112.2	D1145 D1146 D1152 A1153	D1145-A1149 PolarHBondContact O-N 2.96Å; D1146-A1149 CarbonylContact O-C 3.58Å; D1146-A1149 WeakPolarHBondContact O-CA 3.29Å; D1146-A1149 WeakPolarHBondContact O-CB 3.48Å; D1146-A1149 PolarHBondContact O-N 3.46Å; A1149-D1152 PolarHBondContact O-N 3.22Å; A1149-A1153 VanDerWaalsContact O-CB 3.32Å; A1149-A1153 WeakPolarHBondContact O-CB 3.25Å; A1149-A1153 PolarHBondContact O-N 2.9Å
1150	Q	90.5	Very high	89.2	Confident	58 Å²	58	72.5 Å²	72.5	27%	0.271	36%	0.363	S	S	.	.	H	α-helix	trans	-61.5	-44.8	175	-68.5	172.3	19.5	0	0	111.8	L1051 D1146 D1152 A1153 K1154	L1051-Q1150 HydrophobicContact CD1-CB 4.22Å; L1051-Q1150 HydrophobicContact CD2-CB 4.23Å; D1146-Q1150 WeakPolarHBondContact O-CG 3.33Å; D1146-Q1150 PolarHBondContact O-N 3.36Å; D1146-Q1150 PolarHBondContact OD1-NE2 3.1Å; D1146-Q1150 PolarHBondContact OD2-NE2 3.44Å; D1146-Q1150 VanDerWaalsContact OD2-NE2 3.16Å; Q1150-D1152 PolarHBondContact O-N 3.22Å; Q1150-A1153 PolarHBondContact O-N 3.22Å; Q1150-K1154 WeakPolarHBondContact O-CB 3.24Å; Q1150-K1154 PolarHBondContact O-N 3.25Å
1151	R	89	Confident	89.4	Confident	57 Å²	57	70.3 Å²	70.3	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-57.1	-49.2	173.2	-178.9	-158.1	66.3	-171.5	-5.8	111	L1051 E1052 L1147 L1148 K1154 Q1155	L1051-R1151 HydrophobicContact CB-CB 4.06Å; L1051-R1151 HydrophobicContact CB-CG 4.47Å; E1052-R1151 HydrophobicContact CB-CG 4.32Å; L1147-R1151 WeakPolarHBondContact O-CB 3.44Å; L1147-R1151 PolarHBondContact O-N 2.89Å; L1147-R1151 VanDerWaalsContact O-N 3.12Å; L1148-R1151 PolarHBondContact O-N 3.38Å; R1151-K1154 PolarHBondContact O-N 3.17Å; R1151-Q1155 HydrophobicContact CG-CG 4.49Å; R1151-Q1155 WeakPolarHBondContact O-CB 3.27Å; R1151-Q1155 WeakPolarHBondContact O-CG 3.42Å; R1151-Q1155 PolarHBondContact O-N 3.04Å
1152	D	90.7	Very high	89.6	Confident	73 Å²	73	67.2 Å²	67.2	39%	0.39	34%	0.336	S	S	.	.	H	α-helix	trans	-70.2	-34.2	-174.9	-67.3	-6.3	0	0	0	111.7	L1148 A1149 Q1150 K1156	L1148-D1152 WeakPolarHBondContact O-CB 3.49Å; L1148-D1152 PolarHBondContact O-N 3.19Å; A1149-D1152 PolarHBondContact O-N 3.22Å; Q1150-D1152 PolarHBondContact O-N 3.22Å; D1152-K1156 VanDerWaalsContact O-CB 3.23Å; D1152-K1156 WeakPolarHBondContact O-CB 3.37Å; D1152-K1156 PolarHBondContact O-N 2.74Å
1153	A	92	Very high	89.9	Confident	57 Å²	57	64.2 Å²	64.2	47%	0.471	33%	0.332	S	S	.	.	H	α-helix	trans	-62.2	-48.5	169.8	0	0	0	0	0	111.6	A1149 Q1150 K1156 E1157	A1149-A1153 VanDerWaalsContact O-CB 3.32Å; A1149-A1153 WeakPolarHBondContact O-CB 3.25Å; A1149-A1153 PolarHBondContact O-N 2.9Å; Q1150-A1153 PolarHBondContact O-N 3.22Å; A1153-K1156 WeakPolarHBondContact O-CB 3.33Å; A1153-K1156 PolarHBondContact O-N 3.04Å; A1153-E1157 WeakPolarHBondContact O-CB 3.47Å; A1153-E1157 PolarHBondContact O-N 2.85Å
1154	K	89.2	Confident	90.2	Very high	53 Å²	53	63 Å²	63	23%	0.23	33%	0.329	C	S	.	.	H	α-helix	trans	-67.2	-37.3	179	-78.6	-80	164.3	-173.7	0	113.4	L1044 E1047 L1051 Q1150 R1151 E1157 L1158	L1044-K1154 HydrophobicContact CD2-CD 3.91Å; L1044-K1154 VanDerWaalsContact CD2-NZ 3.31Å; E1047-K1154 HydrophobicContact CB-CD 4.32Å; E1047-K1154 WeakPolarHBondContact OE2-CD 3.28Å; E1047-K1154 VanDerWaalsContact OE2-CE 3.25Å; E1047-K1154 WeakPolarHBondContact OE2-CE 3.43Å; E1047-K1154 IonicContact OE2-NZ 3.61Å; E1047-K1154 PolarHBondContact OE2-NZ 2.78Å; L1051-K1154 HydrophobicContact CD1-CB 4.13Å; L1051-K1154 HydrophobicContact CD1-CG 3.77Å; Q1150-K1154 WeakPolarHBondContact O-CB 3.24Å; Q1150-K1154 PolarHBondContact O-N 3.25Å; R1151-K1154 PolarHBondContact O-N 3.17Å; K1154-E1157 VanDerWaalsContact CD-OE2 3.27Å; K1154-E1157 WeakPolarHBondContact CD-OE2 3.12Å; K1154-E1157 WeakPolarHBondContact CE-OE2 3.19Å; K1154-E1157 IonicContact NZ-OE1 2.77Å; K1154-E1157 IonicContact NZ-OE2 3.57Å; K1154-E1157 PolarHBondContact NZ-OE2 3.11Å; K1154-E1157 PolarHBondContact O-N 3.38Å; K1154-L1158 WeakPolarHBondContact O-CB 3.19Å; K1154-L1158 PolarHBondContact O-N 3.18Å
1155	Q	88.9	Confident	90.4	Very high	65 Å²	65	63.1 Å²	63.1	30%	0.304	34%	0.335	S	S	.	.	H	α-helix	trans	-65.2	-39.7	171.7	-73.7	-176.6	-8.6	0	0	111.6	A1048 R1151 L1158 L1159	A1048-Q1155 HydrophobicContact CB-CG 4.05Å; R1151-Q1155 HydrophobicContact CG-CG 4.49Å; R1151-Q1155 WeakPolarHBondContact O-CB 3.27Å; R1151-Q1155 WeakPolarHBondContact O-CG 3.42Å; R1151-Q1155 PolarHBondContact O-N 3.04Å; Q1155-L1158 PolarHBondContact O-N 2.88Å; Q1155-L1159 WeakPolarHBondContact O-CG 3.4Å; Q1155-L1159 PolarHBondContact O-N 2.78Å
1156	K	91.7	Very high	90.6	Very high	141 Å²	141	61.2 Å²	61.2	61%	0.613	33%	0.327	S	S	*	.	H	α-helix	trans	-65.8	-40.2	173.7	-178.3	-173.9	174.7	-167.6	0	112.3	D1152 A1153 L1159 I1160	D1152-K1156 VanDerWaalsContact O-CB 3.23Å; D1152-K1156 WeakPolarHBondContact O-CB 3.37Å; D1152-K1156 PolarHBondContact O-N 2.74Å; A1153-K1156 WeakPolarHBondContact O-CB 3.33Å; A1153-K1156 PolarHBondContact O-N 3.04Å; K1156-L1159 PolarHBondContact O-N 2.65Å; K1156-I1160 HydrophobicContact CG-CD1 4.05Å; K1156-I1160 VanDerWaalsContact O-CG1 3.3Å; K1156-I1160 WeakPolarHBondContact O-CG1 3.24Å; K1156-I1160 PolarHBondContact O-N 3.49Å
1157	E	90.5	Very high	90.8	Very high	86 Å²	86	60 Å²	60	40%	0.402	32%	0.323	S	S	.	.	H	α-helix	trans	-59.7	-48.1	175	-167	-174.3	-179.5	0	0	111	L1044 A1153 K1154 L1159 I1160 L1161	L1044-E1157 HydrophobicContact CD1-CB 4.43Å; L1044-E1157 HydrophobicContact CD1-CG 3.83Å; L1044-E1157 VanDerWaalsContact CD2-CD 3.49Å; L1044-E1157 HydrophobicContact CD2-CG 4.27Å; L1044-E1157 VanDerWaalsContact CD2-OE2 3.26Å; L1044-E1157 WeakPolarHBondContact CD2-OE2 3.15Å; A1153-E1157 WeakPolarHBondContact O-CB 3.47Å; A1153-E1157 PolarHBondContact O-N 2.85Å; K1154-E1157 VanDerWaalsContact CD-OE2 3.27Å; K1154-E1157 WeakPolarHBondContact CD-OE2 3.12Å; K1154-E1157 WeakPolarHBondContact CE-OE2 3.19Å; K1154-E1157 IonicContact NZ-OE1 2.77Å; K1154-E1157 IonicContact NZ-OE2 3.57Å; K1154-E1157 PolarHBondContact NZ-OE2 3.11Å; K1154-E1157 PolarHBondContact O-N 3.38Å; E1157-L1159 PolarHBondContact O-N 2.95Å; E1157-I1160 PolarHBondContact O-N 2.83Å; E1157-L1161 PolarHBondContact O-N 3.45Å
1158	L	89.6	Confident	91	Very high	21 Å²	21	63 Å²	63	11%	0.11	34%	0.339	C	S	.	.	H	α-helix	trans	-60.1	-40.6	175.7	179.6	62.8	0	0	0	112.7	E1041 L1044 K1154 Q1155 L1161 K1162	E1041-L1158 HydrophobicContact CB-CD1 4.24Å; E1041-L1158 HydrophobicContact CG-CD1 4.27Å; L1044-L1158 HydrophobicContact CB-CB 4.2Å; L1044-L1158 HydrophobicContact CB-CD1 3.97Å; K1154-L1158 WeakPolarHBondContact O-CB 3.19Å; K1154-L1158 PolarHBondContact O-N 3.18Å; Q1155-L1158 PolarHBondContact O-N 2.88Å; L1158-L1161 PolarHBondContact O-N 3.36Å; L1158-K1162 HydrophobicContact CD1-CD 4.4Å; L1158-K1162 HydrophobicContact CG-CD 4.37Å; L1158-K1162 WeakPolarHBondContact O-CB 3.41Å; L1158-K1162 WeakPolarHBondContact O-CG 3.36Å; L1158-K1162 PolarHBondContact O-N 3.03Å
1159	L	91.6	Very high	91.3	Very high	122 Å²	122	62.3 Å²	62.3	64%	0.639	34%	0.335	S	S	*	.	H	α-helix	trans	-65.9	-40.2	175.5	-73.3	169.2	0	0	0	112.2	Q1155 K1156 E1157 S1163	Q1155-L1159 WeakPolarHBondContact O-CG 3.4Å; Q1155-L1159 PolarHBondContact O-N 2.78Å; K1156-L1159 PolarHBondContact O-N 2.65Å; E1157-L1159 PolarHBondContact O-N 2.95Å; L1159-S1163 PolarHBondContact O-N 3.41Å; L1159-S1163 VanDerWaalsContact O-N 3.15Å
1160	I	91.6	Very high	91.5	Very high	78 Å²	78	59.6 Å²	59.6	40%	0.4	31%	0.313	S	S	.	.	H	α-helix	trans	-63.9	-47.7	175.2	-70.2	164.9	0	0	0	110.3	K1156 E1157 K1162 S1163 K1164	K1156-I1160 HydrophobicContact CG-CD1 4.05Å; K1156-I1160 VanDerWaalsContact O-CG1 3.3Å; K1156-I1160 WeakPolarHBondContact O-CG1 3.24Å; K1156-I1160 PolarHBondContact O-N 3.49Å; E1157-I1160 PolarHBondContact O-N 2.83Å; I1160-K1162 PolarHBondContact O-N 2.79Å; I1160-S1163 PolarHBondContact O-N 2.84Å; I1160-S1163 PolarHBondContact O-OG 3.18Å; I1160-K1164 PolarHBondContact O-N 3.29Å
1161	L	90.3	Very high	91.7	Very high	14 Å²	14	60.4 Å²	60.4	7%	0.073	31%	0.313	C	S	.	.	H	α-helix	trans	-59.5	-45.5	178.1	178.2	62.6	0	0	0	112	K1037 L1040 E1041 L1044 E1157 L1158 S1163 K1164 L1169	K1037-L1161 HydrophobicContact CG-CD1 4.31Å; L1040-L1161 HydrophobicContact CB-CD2 3.48Å; L1040-L1161 VanDerWaalsContact CB-CD2 3.48Å; E1041-L1161 HydrophobicContact CB-CD2 4.35Å; E1041-L1161 HydrophobicContact CG-CD2 3.63Å; E1041-L1161 HydrophobicContact CG-CG 3.94Å; L1044-L1161 HydrophobicContact CD1-CB 4.45Å; L1044-L1161 HydrophobicContact CD1-CD2 3.84Å; E1157-L1161 PolarHBondContact O-N 3.45Å; L1158-L1161 PolarHBondContact O-N 3.36Å; L1161-S1163 PolarHBondContact O-N 3.42Å; L1161-K1164 PolarHBondContact O-N 2.96Å; L1161-L1169 HydrophobicContact CD1-CD1 4.05Å; L1161-L1169 HydrophobicContact CD1-CD2 4Å
1162	K	90.3	Very high	92	Very high	95 Å²	95	61.2 Å²	61.2	41%	0.413	32%	0.32	S	S	.	.	H	α-helix	trans	-56.7	-38.9	176.4	-83.3	178	171.5	-170.4	0	112.6	K1037 E1041 L1158 I1160 K1164	K1037-K1162 PolarHBondContact NZ-O 2.72Å; E1041-K1162 HydrophobicContact CG-CG 4.09Å; E1041-K1162 VanDerWaalsContact OE1-CG 3.3Å; E1041-K1162 WeakPolarHBondContact OE1-CG 3.46Å; E1041-K1162 WeakPolarHBondContact OE2-CE 3.33Å; E1041-K1162 WeakPolarHBondContact OE2-CG 3.38Å; L1158-K1162 HydrophobicContact CD1-CD 4.4Å; L1158-K1162 HydrophobicContact CG-CD 4.37Å; L1158-K1162 WeakPolarHBondContact O-CB 3.41Å; L1158-K1162 WeakPolarHBondContact O-CG 3.36Å; L1158-K1162 PolarHBondContact O-N 3.03Å; I1160-K1162 PolarHBondContact O-N 2.79Å; K1162-K1164 VanDerWaalsContact C-N 3.35Å; K1162-K1164 PolarHBondContact O-N 2.98Å
1163	S	91.9	Very high	92.2	Very high	96 Å²	96	58.1 Å²	58.1	67%	0.671	30%	0.303	S	S	*	.	H	α-helix	trans	-71.9	-20	-179.5	75	0	0	0	0	115.3	L1159 I1160 L1161	L1159-S1163 PolarHBondContact O-N 3.41Å; L1159-S1163 VanDerWaalsContact O-N 3.15Å; I1160-S1163 PolarHBondContact O-N 2.84Å; I1160-S1163 PolarHBondContact O-OG 3.18Å; L1161-S1163 PolarHBondContact O-N 3.42Å
1164	K	92.3	Very high	92.4	Very high	49 Å²	49	55.4 Å²	55.4	21%	0.213	28%	0.281	C	S	.	.	S	Bend	trans	-84.7	143.8	179.2	-69.6	-180	-177.5	-178.1	0	111.8	K1037 I1160 L1161 K1162 D1168 L1169 E1172	K1037-K1164 PolarHBondContact NZ-O 3.09Å; I1160-K1164 PolarHBondContact O-N 3.29Å; L1161-K1164 PolarHBondContact O-N 2.96Å; K1162-K1164 VanDerWaalsContact C-N 3.35Å; K1162-K1164 PolarHBondContact O-N 2.98Å; K1164-D1168 HydrophobicContact CB-CB 4.2Å; K1164-D1168 HydrophobicContact CG-CB 4.48Å; K1164-L1169 HydrophobicContact CB-CD2 4.36Å; K1164-L1169 HydrophobicContact CB-CG 4.43Å; K1164-L1169 HydrophobicContact CD-CD2 3.71Å; K1164-E1172 WeakPolarHBondContact CE-OE1 3.49Å; K1164-E1172 IonicContact NZ-OE1 2.67Å; K1164-E1172 PolarHBondContact NZ-OE1 3.11Å; K1164-E1172 IonicContact NZ-OE2 2.65Å; K1164-E1172 PolarHBondContact NZ-OE2 3.3Å
1165	S	92.7	Very high	92.7	Very high	43 Å²	43	58.2 Å²	58.2	30%	0.301	29%	0.293	S	S	.	.			trans	-77.7	162.2	165.1	71.9	0	0	0	0	111.5	S1167 D1168 L1169	S1165-S1167 PolarHBondContact O-N 2.88Å; S1165-S1167 PolarHBondContact OG-N 3.23Å; S1165-D1168 VanDerWaalsContact CB-OD2 3.26Å; S1165-D1168 WeakPolarHBondContact CB-OD2 3.42Å; S1165-D1168 PolarHBondContact N-OD2 3.34Å; S1165-D1168 PolarHBondContact O-N 3.06Å; S1165-D1168 VanDerWaalsContact O-N 3.13Å; S1165-D1168 PolarHBondContact OG-N 2.95Å; S1165-D1168 VanDerWaalsContact OG-N 3.08Å; S1165-D1168 PolarHBondContact OG-OD2 2.9Å; S1165-L1169 PolarHBondContact O-N 2.91Å
1166	P	92.2	Very high	93	Very high	26 Å²	26	59.5 Å²	59.5	17%	0.169	30%	0.297	C	S	.	.	H	α-helix	trans	-53.3	-37.8	168.3	-25.1	34.6	0	0	0	112.4	L1030 E1034 L1169 W1170	L1030-P1166 HydrophobicContact CD1-CB 4.17Å; E1034-P1166 HydrophobicContact CG-CB 3.97Å; E1034-P1166 HydrophobicContact CG-CG 3.54Å; P1166-L1169 PolarHBondContact O-N 2.87Å; P1166-W1170 PolarHBondContact O-N 2.83Å; P1166-W1170 VanDerWaalsContact O-N 3.15Å
1167	S	93.3	Very high	93.2	Very high	32 Å²	32	52.8 Å²	52.8	22%	0.224	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-37	176.7	-52.6	0	0	0	0	113	S1165 W1170 R1171	S1165-S1167 PolarHBondContact O-N 2.88Å; S1165-S1167 PolarHBondContact OG-N 3.23Å; S1167-W1170 PolarHBondContact O-N 3.06Å; S1167-R1171 WeakPolarHBondContact O-CG 3.33Å; S1167-R1171 PolarHBondContact O-N 2.9Å
1168	D	93.4	Very high	93.4	Very high	69 Å²	69	50.1 Å²	50.1	37%	0.369	26%	0.255	S	S	.	.	H	α-helix	trans	-67.6	-41.4	177.5	-60.8	-52.8	0	0	0	111.4	K1164 S1165 W1170 R1171 E1172	K1164-D1168 HydrophobicContact CB-CB 4.2Å; K1164-D1168 HydrophobicContact CG-CB 4.48Å; S1165-D1168 VanDerWaalsContact CB-OD2 3.26Å; S1165-D1168 WeakPolarHBondContact CB-OD2 3.42Å; S1165-D1168 PolarHBondContact N-OD2 3.34Å; S1165-D1168 PolarHBondContact O-N 3.06Å; S1165-D1168 VanDerWaalsContact O-N 3.13Å; S1165-D1168 PolarHBondContact OG-N 2.95Å; S1165-D1168 VanDerWaalsContact OG-N 3.08Å; S1165-D1168 PolarHBondContact OG-OD2 2.9Å; D1168-W1170 VanDerWaalsContact C-N 3.27Å; D1168-W1170 PolarHBondContact O-N 3Å; D1168-R1171 PolarHBondContact O-N 3.4Å; D1168-E1172 WeakPolarHBondContact O-CG 3.34Å; D1168-E1172 PolarHBondContact O-N 3.05Å
1169	L	93.7	Very high	93.6	Very high	17 Å²	17	54.3 Å²	54.3	9%	0.089	27%	0.274	C	S	.	.	H	α-helix	trans	-59.1	-41.1	174	-63.9	173.5	0	0	0	111.1	Y1033 K1037 L1161 K1164 S1165 P1166 E1172 D1173	Y1033-L1169 HydrophobicContact CD1-CB 3.71Å; Y1033-L1169 HydrophobicContact CE1-CB 4.02Å; K1037-L1169 HydrophobicContact CB-CD1 3.96Å; K1037-L1169 HydrophobicContact CG-CD1 4.3Å; L1161-L1169 HydrophobicContact CD1-CD1 4.05Å; L1161-L1169 HydrophobicContact CD1-CD2 4Å; K1164-L1169 HydrophobicContact CB-CD2 4.36Å; K1164-L1169 HydrophobicContact CB-CG 4.43Å; K1164-L1169 HydrophobicContact CD-CD2 3.71Å; S1165-L1169 PolarHBondContact O-N 2.91Å; P1166-L1169 PolarHBondContact O-N 2.87Å; L1169-E1172 PolarHBondContact O-N 3.13Å; L1169-D1173 PolarHBondContact O-N 2.88Å; L1169-D1173 VanDerWaalsContact O-N 3.14Å
1170	W	95.8	Very high	93.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-69.9	-39.3	177.2	-162.6	1.9	0	0	0	112.6	I847 L879 L883 F1025 Y1026 R1029 L1030 Y1033 P1166 S1167 D1168 E1172 D1173 L1174	I847-W1170 PolarHBondContact O-NE1 3.34Å; L879-W1170 HydrophobicContact CD1-CZ2 4.15Å; L879-W1170 HydrophobicContact CD2-CH2 4.02Å; L879-W1170 HydrophobicContact CD2-CZ2 3.87Å; L879-W1170 HydrophobicContact CG-CZ2 4.48Å; L883-W1170 HydrophobicContact CD1-CD2 4.39Å; L883-W1170 HydrophobicContact CD1-CG 4.43Å; L883-W1170 HydrophobicContact CD2-CD2 4.41Å; L883-W1170 HydrophobicContact CD2-CE3 3.78Å; L883-W1170 HydrophobicContact CD2-CZ3 4.21Å; F1025-W1170 HydrophobicContact CE1-CZ2 4.17Å; Y1026-W1170 AromaticContact CD2-CH2 3.48Å; Y1026-W1170 HydrophobicContact CD2-CH2 3.48Å; Y1026-W1170 VanDerWaalsContact CD2-CH2 3.48Å; Y1026-W1170 AromaticContact CD2-CZ3 3.56Å; Y1026-W1170 HydrophobicContact CD2-CZ3 3.56Å; Y1026-W1170 HydrophobicContact CE2-CH2 4.08Å; Y1026-W1170 AromaticContact CE2-CZ3 3.71Å; Y1026-W1170 HydrophobicContact CE2-CZ3 3.71Å; Y1026-W1170 HydrophobicContact CG-CH2 4.15Å; Y1026-W1170 HydrophobicContact CG-CZ3 4.26Å; R1029-W1170 HydrophobicContact CB-CH2 3.77Å; R1029-W1170 HydrophobicContact CB-CZ2 4Å; R1029-W1170 HydrophobicContact CB-CZ3 4.17Å; R1029-W1170 HydrophobicContact CG-CD2 4.34Å; R1029-W1170 HydrophobicContact CG-CE3 4.48Å; R1029-W1170 HydrophobicContact CG-CH2 3.95Å; R1029-W1170 HydrophobicContact CG-CZ2 3.71Å; R1029-W1170 HydrophobicContact CG-CZ3 4.31Å; L1030-W1170 HydrophobicContact CB-CZ3 4.37Å; L1030-W1170 HydrophobicContact CD1-CE3 4.46Å; Y1033-W1170 HydrophobicContact CD1-CB 4.18Å; Y1033-W1170 HydrophobicContact CD2-CB 3.76Å; Y1033-W1170 AromaticContact CD2-CD2 3.88Å; Y1033-W1170 HydrophobicContact CD2-CD2 3.88Å; Y1033-W1170 HydrophobicContact CD2-CE3 4.08Å; Y1033-W1170 AromaticContact CD2-CG 3.74Å; Y1033-W1170 HydrophobicContact CD2-CG 3.74Å; Y1033-W1170 HydrophobicContact CE1-CB 3.92Å; Y1033-W1170 HydrophobicContact CE1-CG 4.38Å; Y1033-W1170 HydrophobicContact CE2-CB 3.51Å; Y1033-W1170 AromaticContact CE2-CD1 3.36Å; Y1033-W1170 AromaticContact CE2-CD2 3.56Å; Y1033-W1170 HydrophobicContact CE2-CD2 3.56Å; Y1033-W1170 HydrophobicContact CE2-CE3 4.22Å; Y1033-W1170 AromaticContact CE2-CG 3.17Å; Y1033-W1170 HydrophobicContact CE2-CG 3.17Å; Y1033-W1170 AromaticContact CE2-NE1 3.86Å; Y1033-W1170 HydrophobicContact CG-CB 4.1Å; Y1033-W1170 AromaticContact CZ-CD1 3.51Å; Y1033-W1170 AromaticContact CZ-CG 3.55Å; P1166-W1170 PolarHBondContact O-N 2.83Å; P1166-W1170 VanDerWaalsContact O-N 3.15Å; S1167-W1170 PolarHBondContact O-N 3.06Å; D1168-W1170 VanDerWaalsContact C-N 3.27Å; D1168-W1170 PolarHBondContact O-N 3Å; W1170-E1172 VanDerWaalsContact C-N 3.31Å; W1170-E1172 PolarHBondContact O-N 3.44Å; W1170-D1173 PolarHBondContact O-N 3.05Å; W1170-L1174 HydrophobicContact CG-CD1 4.34Å; W1170-L1174 WeakPolarHBondContact O-CB 3.47Å; W1170-L1174 WeakPolarHBondContact O-CG 3.34Å; W1170-L1174 PolarHBondContact O-N 3.12Å
1171	R	95.6	Very high	93.9	Very high	75 Å²	75	48 Å²	48	28%	0.283	24%	0.24	S	C	.	.	H	α-helix	trans	-60.7	-40.1	173.3	-71.2	177.8	-170.5	-104.1	10.4	112.1	Y880 L883 D884 S1167 D1168 K1175	Y880-R1171 HydrophobicContact CD1-CG 4.49Å; L883-R1171 HydrophobicContact CD1-CG 3.86Å; L883-R1171 PolarHBondContact O-NH2 3.16Å; D884-R1171 IonicContact OD1-CZ 3.24Å; D884-R1171 IonicContact OD1-NH1 2.69Å; D884-R1171 PolarHBondContact OD1-NH1 3.24Å; D884-R1171 IonicContact OD1-NH2 2.83Å; D884-R1171 PolarHBondContact OD1-NH2 2.89Å; D884-R1171 IonicContact OD2-NH1 3.24Å; S1167-R1171 WeakPolarHBondContact O-CG 3.33Å; S1167-R1171 PolarHBondContact O-N 2.9Å; D1168-R1171 PolarHBondContact O-N 3.4Å; R1171-K1175 VanDerWaalsContact O-CB 3.3Å; R1171-K1175 WeakPolarHBondContact O-CB 3.48Å; R1171-K1175 PolarHBondContact O-N 3.45Å
1172	E	94.6	Very high	94	Very high	74 Å²	74	52.4 Å²	52.4	35%	0.346	26%	0.258	S	S	.	.	H	α-helix	trans	-63.8	-42.3	175.7	-74.7	-179.9	178.7	0	0	112.3	K1164 D1168 L1169 W1170 K1176	K1164-E1172 WeakPolarHBondContact CE-OE1 3.49Å; K1164-E1172 IonicContact NZ-OE1 2.67Å; K1164-E1172 PolarHBondContact NZ-OE1 3.11Å; K1164-E1172 IonicContact NZ-OE2 2.65Å; K1164-E1172 PolarHBondContact NZ-OE2 3.3Å; D1168-E1172 WeakPolarHBondContact O-CG 3.34Å; D1168-E1172 PolarHBondContact O-N 3.05Å; L1169-E1172 PolarHBondContact O-N 3.13Å; W1170-E1172 VanDerWaalsContact C-N 3.31Å; W1170-E1172 PolarHBondContact O-N 3.44Å; E1172-K1176 VanDerWaalsContact O-CG 3.27Å; E1172-K1176 WeakPolarHBondContact O-CG 3.4Å; E1172-K1176 PolarHBondContact O-N 2.99Å; E1172-K1176 VanDerWaalsContact O-N 3.09Å
1173	D	95.5	Very high	94.1	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.043	26%	0.257	C	S	.	.	H	α-helix	trans	-72.2	-40.5	179.1	-77	-3.9	0	0	0	113	H822 I847 Y1033 R1036 L1169 W1170 K1175 K1176 L1177	H822-D1173 IonicContact CD2-OD2 2.7Å; H822-D1173 IonicContact NE2-OD1 2.71Å; H822-D1173 IonicContact NE2-OD2 2.71Å; I847-D1173 HydrophobicContact CD1-CB 4.08Å; I847-D1173 WeakPolarHBondContact CD1-O 3.47Å; I847-D1173 HydrophobicContact CG2-CB 4.34Å; Y1033-D1173 WeakPolarHBondContact OH-CB 3.4Å; Y1033-D1173 PolarHBondContact OH-OD2 3.23Å; R1036-D1173 IonicContact CZ-OD2 2.95Å; R1036-D1173 IonicContact NH1-OD2 2.71Å; R1036-D1173 PolarHBondContact NH1-OD2 3.46Å; R1036-D1173 IonicContact NH2-OD2 4Å; L1169-D1173 PolarHBondContact O-N 2.88Å; L1169-D1173 VanDerWaalsContact O-N 3.14Å; W1170-D1173 PolarHBondContact O-N 3.05Å; D1173-K1175 VanDerWaalsContact C-N 3.3Å; D1173-K1175 PolarHBondContact O-N 3.01Å; D1173-K1176 PolarHBondContact O-N 3.05Å; D1173-K1176 IonicContact OD1-NZ 3.82Å; D1173-K1176 PolarHBondContact OD1-NZ 3.04Å; D1173-L1177 PolarHBondContact O-N 3.36Å
1174	L	96	Very high	94	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.8	-43.4	172.4	-73.6	171.7	0	0	0	111.1	I848 I876 L879 Y880 L883 W1170 L1177 E1178	I848-L1174 HydrophobicContact CG2-CD2 3.6Å; I876-L1174 HydrophobicContact CG1-CD2 4.32Å; L879-L1174 HydrophobicContact CB-CD1 4.04Å; L879-L1174 HydrophobicContact CD1-CD2 3.96Å; Y880-L1174 HydrophobicContact CD1-CD1 4.13Å; Y880-L1174 HydrophobicContact CE1-CB 3.83Å; Y880-L1174 HydrophobicContact CE1-CD1 4.1Å; L883-L1174 HydrophobicContact CD1-CD1 3.83Å; W1170-L1174 HydrophobicContact CG-CD1 4.34Å; W1170-L1174 WeakPolarHBondContact O-CB 3.47Å; W1170-L1174 WeakPolarHBondContact O-CG 3.34Å; W1170-L1174 PolarHBondContact O-N 3.12Å; L1174-L1177 PolarHBondContact O-N 2.79Å; L1174-E1178 VanDerWaalsContact O-CB 3.3Å; L1174-E1178 WeakPolarHBondContact O-CB 3.41Å; L1174-E1178 PolarHBondContact O-N 2.78Å
1175	K	95.9	Very high	93.8	Very high	111 Å²	111	48.6 Å²	48.6	48%	0.483	23%	0.231	S	C	.	.	H	α-helix	trans	-62.9	-46.9	177.6	-177.9	-177.9	169.4	-174.2	0	112.3	Y880 R1171 D1173 L1177 E1178 E1179	Y880-K1175 WeakPolarHBondContact OH-CA 3.44Å; Y880-K1175 PolarHBondContact OH-N 3.41Å; R1171-K1175 VanDerWaalsContact O-CB 3.3Å; R1171-K1175 WeakPolarHBondContact O-CB 3.48Å; R1171-K1175 PolarHBondContact O-N 3.45Å; D1173-K1175 VanDerWaalsContact C-N 3.3Å; D1173-K1175 PolarHBondContact O-N 3.01Å; K1175-L1177 VanDerWaalsContact C-N 3.31Å; K1175-L1177 PolarHBondContact O-N 3.36Å; K1175-E1178 PolarHBondContact O-N 3.48Å; K1175-E1179 VanDerWaalsContact CE-CD 3.49Å; K1175-E1179 WeakPolarHBondContact CE-OE1 3.47Å; K1175-E1179 HydrophobicContact CG-CG 4.42Å; K1175-E1179 IonicContact NZ-OE1 2.72Å; K1175-E1179 WeakPolarHBondContact O-CB 3.47Å; K1175-E1179 WeakPolarHBondContact O-CG 3.36Å; K1175-E1179 PolarHBondContact O-N 3.3Å
1176	K	95.3	Very high	93.6	Very high	92 Å²	92	49.4 Å²	49.4	40%	0.4	24%	0.241	S	C	.	.	H	α-helix	trans	-56.9	-44.8	176.1	-68	163.5	-155.7	162.1	0	111.3	E1172 D1173 E1180	E1172-K1176 VanDerWaalsContact O-CG 3.27Å; E1172-K1176 WeakPolarHBondContact O-CG 3.4Å; E1172-K1176 PolarHBondContact O-N 2.99Å; E1172-K1176 VanDerWaalsContact O-N 3.09Å; D1173-K1176 PolarHBondContact O-N 3.05Å; D1173-K1176 IonicContact OD1-NZ 3.82Å; D1173-K1176 PolarHBondContact OD1-NZ 3.04Å; K1176-E1180 PolarHBondContact O-N 2.87Å; K1176-E1180 VanDerWaalsContact O-N 3.08Å
1177	L	94.8	Very high	93.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.2	-42.5	177.6	178.9	65.1	0	0	0	111.8	L816 L819 I820 I847 I848 I876 D1173 L1174 K1175 Y1181	L816-L1177 HydrophobicContact CD2-CD1 4.24Å; L819-L1177 HydrophobicContact CB-CD1 3.97Å; L819-L1177 HydrophobicContact CD1-CD1 4.49Å; I820-L1177 HydrophobicContact CG1-CD1 3.94Å; I820-L1177 HydrophobicContact CG1-CD2 4.17Å; I847-L1177 HydrophobicContact CD1-CB 3.85Å; I847-L1177 HydrophobicContact CD1-CD2 3.79Å; I847-L1177 HydrophobicContact CD1-CG 4.39Å; I847-L1177 HydrophobicContact CG1-CD2 4.03Å; I848-L1177 HydrophobicContact CD1-CD2 3.83Å; I848-L1177 HydrophobicContact CG1-CD2 4.16Å; I848-L1177 HydrophobicContact CG2-CD2 4.02Å; I876-L1177 HydrophobicContact CD1-CD2 4.41Å; D1173-L1177 PolarHBondContact O-N 3.36Å; L1174-L1177 PolarHBondContact O-N 2.79Å; K1175-L1177 VanDerWaalsContact C-N 3.31Å; K1175-L1177 PolarHBondContact O-N 3.36Å; L1177-Y1181 WeakPolarHBondContact O-CB 3.47Å; L1177-Y1181 PolarHBondContact O-N 3.05Å
1178	E	95	Very high	92.9	Very high	30 Å²	30	55 Å²	55	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-41.3	179.2	-170.1	-172.7	168	0	0	112.2	I873 I876 Y880 L1174 K1175 K1182	I873-E1178 HydrophobicContact CD1-CG 4.13Å; I876-E1178 HydrophobicContact CD1-CB 4.38Å; Y880-E1178 WeakPolarHBondContact CE2-OE2 3.48Å; Y880-E1178 PolarHBondContact OH-OE2 3.05Å; L1174-E1178 VanDerWaalsContact O-CB 3.3Å; L1174-E1178 WeakPolarHBondContact O-CB 3.41Å; L1174-E1178 PolarHBondContact O-N 2.78Å; K1175-E1178 PolarHBondContact O-N 3.48Å; E1178-K1182 HydrophobicContact CG-CD 4.37Å; E1178-K1182 WeakPolarHBondContact O-CB 3.34Å; E1178-K1182 WeakPolarHBondContact O-CD 3.4Å; E1178-K1182 VanDerWaalsContact O-CG 3.22Å; E1178-K1182 WeakPolarHBondContact O-CG 3.41Å; E1178-K1182 PolarHBondContact O-N 2.89Å; E1178-K1182 VanDerWaalsContact O-N 3.1Å; E1178-K1182 WeakPolarHBondContact OE1-CE 3.34Å; E1178-K1182 IonicContact OE1-NZ 2.73Å; E1178-K1182 PolarHBondContact OE1-NZ 3.49Å
1179	E	95.1	Very high	92.4	Very high	109 Å²	109	54.4 Å²	54.4	51%	0.509	27%	0.268	S	S	.	.	H	α-helix	trans	-67.1	-49.4	177.3	-72.7	176.6	161.9	0	0	111.6	K1175 K1182 K1183	K1175-E1179 VanDerWaalsContact CE-CD 3.49Å; K1175-E1179 WeakPolarHBondContact CE-OE1 3.47Å; K1175-E1179 HydrophobicContact CG-CG 4.42Å; K1175-E1179 IonicContact NZ-OE1 2.72Å; K1175-E1179 WeakPolarHBondContact O-CB 3.47Å; K1175-E1179 WeakPolarHBondContact O-CG 3.36Å; K1175-E1179 PolarHBondContact O-N 3.3Å; E1179-K1182 PolarHBondContact O-N 3.26Å; E1179-K1183 PolarHBondContact O-N 2.96Å
1180	E	94	Very high	91.9	Very high	49 Å²	49	56.4 Å²	56.4	23%	0.229	29%	0.287	C	S	.	.	H	α-helix	trans	-70.3	-34.8	178.9	-176	62.8	-169.6	0	0	112.3	L816 L819 K1176 K1183 V1184	L816-E1180 HydrophobicContact CD2-CB 4.21Å; L816-E1180 HydrophobicContact CD2-CG 3.81Å; L819-E1180 HydrophobicContact CD1-CB 3.7Å; L819-E1180 HydrophobicContact CD1-CG 3.87Å; K1176-E1180 PolarHBondContact O-N 2.87Å; K1176-E1180 VanDerWaalsContact O-N 3.08Å; E1180-K1183 WeakPolarHBondContact O-CB 3.32Å; E1180-K1183 PolarHBondContact O-N 2.84Å; E1180-K1183 IonicContact OE1-NZ 2.67Å; E1180-K1183 PolarHBondContact OE1-NZ 2.98Å; E1180-K1183 WeakPolarHBondContact OE2-CD 3.44Å; E1180-K1183 WeakPolarHBondContact OE2-CE 3.24Å; E1180-K1183 IonicContact OE2-NZ 3.77Å; E1180-K1183 PolarHBondContact OE2-NZ 2.87Å; E1180-V1184 WeakPolarHBondContact O-CG2 3.31Å; E1180-V1184 PolarHBondContact O-N 3.45Å
1181	Y	93.6	Very high	91.1	Very high	20 Å²	20	61.8 Å²	61.8	8%	0.078	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-46.3	173.7	179.2	-90.4	0	0	0	111.4	L784 L816 V872 I873 L1177 K1183 V1184 E1185	L784-Y1181 HydrophobicContact CD1-CD2 4Å; L784-Y1181 HydrophobicContact CD1-CE2 4.09Å; L816-Y1181 HydrophobicContact CD1-CD2 4.01Å; V872-Y1181 HydrophobicContact CB-CE1 4.23Å; V872-Y1181 HydrophobicContact CB-CE2 4.09Å; V872-Y1181 HydrophobicContact CG1-CD2 4.18Å; V872-Y1181 HydrophobicContact CG1-CE1 4.47Å; V872-Y1181 HydrophobicContact CG1-CE2 4.09Å; V872-Y1181 HydrophobicContact CG1-CG 4.41Å; V872-Y1181 HydrophobicContact CG2-CE2 3.85Å; I873-Y1181 HydrophobicContact CD1-CD1 3.95Å; I873-Y1181 HydrophobicContact CD1-CE1 4.24Å; I873-Y1181 HydrophobicContact CG1-CE1 4.33Å; L1177-Y1181 WeakPolarHBondContact O-CB 3.47Å; L1177-Y1181 PolarHBondContact O-N 3.05Å; Y1181-K1183 VanDerWaalsContact C-N 3.28Å; Y1181-K1183 PolarHBondContact O-N 2.83Å; Y1181-V1184 PolarHBondContact O-N 3.39Å; Y1181-E1185 HydrophobicContact CD1-CG 4.17Å; Y1181-E1185 HydrophobicContact CE1-CG 3.69Å; Y1181-E1185 HydrophobicContact CE2-CG 4.44Å; Y1181-E1185 PolarHBondContact O-N 3.32Å
1182	K	92.9	Very high	90	Very high	105 Å²	105	63.7 Å²	63.7	46%	0.457	33%	0.328	S	S	.	.	H	α-helix	trans	-61.5	-37	175.4	-74.5	169.1	-173.5	169.6	0	112	E1178 E1179 A1186	E1178-K1182 HydrophobicContact CG-CD 4.37Å; E1178-K1182 WeakPolarHBondContact O-CB 3.34Å; E1178-K1182 WeakPolarHBondContact O-CD 3.4Å; E1178-K1182 VanDerWaalsContact O-CG 3.22Å; E1178-K1182 WeakPolarHBondContact O-CG 3.41Å; E1178-K1182 PolarHBondContact O-N 2.89Å; E1178-K1182 VanDerWaalsContact O-N 3.1Å; E1178-K1182 WeakPolarHBondContact OE1-CE 3.34Å; E1178-K1182 IonicContact OE1-NZ 2.73Å; E1178-K1182 PolarHBondContact OE1-NZ 3.49Å; E1179-K1182 PolarHBondContact O-N 3.26Å; K1182-A1186 VanDerWaalsContact O-CB 3.28Å; K1182-A1186 WeakPolarHBondContact O-CB 3.33Å; K1182-A1186 PolarHBondContact O-N 2.95Å
1183	K	93.2	Very high	89	Confident	91 Å²	91	64.4 Å²	64.4	40%	0.396	33%	0.331	S	S	.	.	H	α-helix	trans	-64.4	-48.4	174.1	170.5	170.4	151.5	-67	0	111.8	E1179 E1180 Y1181 E1185 A1186 E1187	E1179-K1183 PolarHBondContact O-N 2.96Å; E1180-K1183 WeakPolarHBondContact O-CB 3.32Å; E1180-K1183 PolarHBondContact O-N 2.84Å; E1180-K1183 IonicContact OE1-NZ 2.67Å; E1180-K1183 PolarHBondContact OE1-NZ 2.98Å; E1180-K1183 WeakPolarHBondContact OE2-CD 3.44Å; E1180-K1183 WeakPolarHBondContact OE2-CE 3.24Å; E1180-K1183 IonicContact OE2-NZ 3.77Å; E1180-K1183 PolarHBondContact OE2-NZ 2.87Å; Y1181-K1183 VanDerWaalsContact C-N 3.28Å; Y1181-K1183 PolarHBondContact O-N 2.83Å; K1183-E1185 PolarHBondContact O-N 2.85Å; K1183-A1186 PolarHBondContact O-N 3.36Å; K1183-E1187 WeakPolarHBondContact CE-OE1 3.18Å; K1183-E1187 HydrophobicContact CG-CG 4.47Å; K1183-E1187 VanDerWaalsContact CG-OE1 3.28Å; K1183-E1187 WeakPolarHBondContact CG-OE1 3.31Å; K1183-E1187 IonicContact NZ-OE1 3.16Å; K1183-E1187 PolarHBondContact NZ-OE1 3.43Å; K1183-E1187 WeakPolarHBondContact O-CB 3.44Å; K1183-E1187 WeakPolarHBondContact O-CG 3.47Å; K1183-E1187 PolarHBondContact O-N 3.03Å
1184	V	89.2	Confident	88	Confident	17 Å²	17	66.5 Å²	66.5	10%	0.103	35%	0.349	C	S	.	.	H	α-helix	trans	-63	-40.8	177.9	170.4	0	0	0	0	112.1	L816 E1180 Y1181 E1187 L1188	L816-V1184 HydrophobicContact CD1-CB 4.47Å; L816-V1184 HydrophobicContact CD1-CG1 4.33Å; L816-V1184 HydrophobicContact CD2-CG2 4.34Å; L816-V1184 HydrophobicContact CG-CG2 4.39Å; E1180-V1184 WeakPolarHBondContact O-CG2 3.31Å; E1180-V1184 PolarHBondContact O-N 3.45Å; Y1181-V1184 PolarHBondContact O-N 3.39Å; V1184-E1187 PolarHBondContact O-N 2.83Å; V1184-L1188 HydrophobicContact CG1-CD1 3.92Å; V1184-L1188 WeakPolarHBondContact O-CB 3.05Å; V1184-L1188 WeakPolarHBondContact O-CG 3.3Å; V1184-L1188 PolarHBondContact O-N 2.89Å
1185	E	87.9	Confident	86.8	Confident	52 Å²	52	69.5 Å²	69.5	24%	0.243	38%	0.375	C	S	.	.	H	α-helix	trans	-64.7	-39	173.4	-68.6	-50.8	99	0	0	112.2	R896 Y1181 K1183 A1189	R896-E1185 IonicContact CZ-OE1 2.67Å; R896-E1185 IonicContact CZ-OE2 3.96Å; R896-E1185 IonicContact NE-OE1 2.76Å; R896-E1185 PolarHBondContact NE-OE1 3.1Å; R896-E1185 IonicContact NE-OE2 2.83Å; R896-E1185 PolarHBondContact NE-OE2 3.4Å; R896-E1185 IonicContact NH1-OE1 2.72Å; R896-E1185 IonicContact NH2-OE1 3.87Å; R896-E1185 PolarHBondContact NH2-OE1 2.88Å; R896-E1185 IonicContact NH2-OE2 3.93Å; R896-E1185 PolarHBondContact NH2-OE2 2.95Å; Y1181-E1185 HydrophobicContact CD1-CG 4.17Å; Y1181-E1185 HydrophobicContact CE1-CG 3.69Å; Y1181-E1185 HydrophobicContact CE2-CG 4.44Å; Y1181-E1185 PolarHBondContact O-N 3.32Å; K1183-E1185 PolarHBondContact O-N 2.85Å; E1185-A1189 WeakPolarHBondContact O-CB 3.39Å; E1185-A1189 PolarHBondContact O-N 3.38Å
1186	A	89.8	Confident	85.5	Confident	60 Å²	60	66.8 Å²	66.8	50%	0.496	37%	0.365	S	S	.	.	H	α-helix	trans	-68.7	-38.6	177	0	0	0	0	0	112.7	K1182 K1183 A1190	K1182-A1186 VanDerWaalsContact O-CB 3.28Å; K1182-A1186 WeakPolarHBondContact O-CB 3.33Å; K1182-A1186 PolarHBondContact O-N 2.95Å; K1183-A1186 PolarHBondContact O-N 3.36Å; A1186-A1190 WeakPolarHBondContact O-CB 3.32Å; A1186-A1190 PolarHBondContact O-N 3.49Å
1187	E	87.8	Confident	84.3	Confident	96 Å²	96	66.2 Å²	66.2	45%	0.449	36%	0.363	S	S	.	.	H	α-helix	trans	-62.3	-46.7	173.7	-75.7	170.8	-171.7	0	0	110.9	K1183 V1184 A1190 D1191	K1183-E1187 WeakPolarHBondContact CE-OE1 3.18Å; K1183-E1187 HydrophobicContact CG-CG 4.47Å; K1183-E1187 VanDerWaalsContact CG-OE1 3.28Å; K1183-E1187 WeakPolarHBondContact CG-OE1 3.31Å; K1183-E1187 IonicContact NZ-OE1 3.16Å; K1183-E1187 PolarHBondContact NZ-OE1 3.43Å; K1183-E1187 WeakPolarHBondContact O-CB 3.44Å; K1183-E1187 WeakPolarHBondContact O-CG 3.47Å; K1183-E1187 PolarHBondContact O-N 3.03Å; V1184-E1187 PolarHBondContact O-N 2.83Å; E1187-A1190 WeakPolarHBondContact O-CB 3Å; E1187-A1190 PolarHBondContact O-N 3.06Å; E1187-D1191 PolarHBondContact O-N 2.75Å
1188	L	83	Confident	82.9	Confident	79 Å²	79	68.1 Å²	68.1	41%	0.414	38%	0.379	S	S	.	.	H	α-helix	trans	-68.2	-38.7	179.7	-70.3	168.9	0	0	0	112.8	V1184 A1190 D1191 E1192	V1184-L1188 HydrophobicContact CG1-CD1 3.92Å; V1184-L1188 WeakPolarHBondContact O-CB 3.05Å; V1184-L1188 WeakPolarHBondContact O-CG 3.3Å; V1184-L1188 PolarHBondContact O-N 2.89Å; L1188-A1190 VanDerWaalsContact C-N 3.34Å; L1188-D1191 PolarHBondContact O-N 2.92Å; L1188-E1192 PolarHBondContact O-N 3.44Å
1189	A	81.2	Confident	81.5	Confident	58 Å²	58	68.8 Å²	68.8	48%	0.479	39%	0.39	S	S	.	.	H	α-helix	trans	-66.3	-35.6	171.8	0	0	0	0	0	112.3	E1185 Q1193	E1185-A1189 WeakPolarHBondContact O-CB 3.39Å; E1185-A1189 PolarHBondContact O-N 3.38Å; A1189-Q1193 WeakPolarHBondContact O-CB 3.26Å; A1189-Q1193 PolarHBondContact O-N 3.4Å
1190	A	83.5	Confident	80.1	Confident	58 Å²	58	65 Å²	65	48%	0.479	37%	0.374	S	S	.	.	H	α-helix	trans	-68.3	-38.1	174.8	0	0	0	0	0	112	A1186 E1187 L1188 Q1193 A1194	A1186-A1190 WeakPolarHBondContact O-CB 3.32Å; A1186-A1190 PolarHBondContact O-N 3.49Å; E1187-A1190 WeakPolarHBondContact O-CB 3Å; E1187-A1190 PolarHBondContact O-N 3.06Å; L1188-A1190 VanDerWaalsContact C-N 3.34Å; A1190-Q1193 PolarHBondContact O-N 3.49Å; A1190-A1194 WeakPolarHBondContact O-CB 3.36Å; A1190-A1194 PolarHBondContact O-N 3.18Å
1191	D	79.3	Confident	78.7	Confident	114 Å²	114	68.1 Å²	68.1	61%	0.61	39%	0.386	S	S	*	.	H	α-helix	trans	-67.9	-41.1	175.8	-95.1	-11.5	0	0	0	112.4	E1187 L1188 A1194 A1195	E1187-D1191 PolarHBondContact O-N 2.75Å; L1188-D1191 PolarHBondContact O-N 2.92Å; D1191-A1194 PolarHBondContact O-N 2.98Å; D1191-A1195 WeakPolarHBondContact O-CB 3.3Å; D1191-A1195 PolarHBondContact O-N 3Å
1192	E	72.6	Confident	77.3	Confident	114 Å²	114	74.6 Å²	74.6	53%	0.533	42%	0.415	S	S	.	.	H	α-helix	trans	-60.8	-49.5	172.9	-168.5	-172.5	168.3	0	0	110.7	L1188 A1194 A1195 I1196	L1188-E1192 PolarHBondContact O-N 3.44Å; E1192-A1194 VanDerWaalsContact C-N 3.29Å; E1192-A1194 PolarHBondContact O-N 2.83Å; E1192-A1195 WeakPolarHBondContact O-CB 3.18Å; E1192-A1195 PolarHBondContact O-N 2.69Å; E1192-I1196 HydrophobicContact CG-CD1 4.13Å; E1192-I1196 WeakPolarHBondContact O-CD1 3.49Å; E1192-I1196 WeakPolarHBondContact O-CG1 3.4Å; E1192-I1196 PolarHBondContact O-N 2.93Å
1193	Q	73.8	Confident	75.6	Confident	90 Å²	90	70.5 Å²	70.5	42%	0.421	40%	0.398	S	S	.	.	H	α-helix	trans	-64.3	-32	176.9	178.3	58.6	16.2	0	0	112.3	A1189 A1190 I1196 E1197	A1189-Q1193 WeakPolarHBondContact O-CB 3.26Å; A1189-Q1193 PolarHBondContact O-N 3.4Å; A1190-Q1193 PolarHBondContact O-N 3.49Å; Q1193-I1196 WeakPolarHBondContact O-CB 3.24Å; Q1193-E1197 WeakPolarHBondContact O-CB 3.43Å; Q1193-E1197 WeakPolarHBondContact O-CG 3.37Å; Q1193-E1197 PolarHBondContact O-N 2.92Å
1194	A	75.4	Confident	74.1	Confident	51 Å²	51	71.8 Å²	71.8	42%	0.421	40%	0.403	S	S	.	.	H	α-helix	trans	-71.9	-35.3	174.4	0	0	0	0	0	112.2	A1190 D1191 E1192 E1197 A1198	A1190-A1194 WeakPolarHBondContact O-CB 3.36Å; A1190-A1194 PolarHBondContact O-N 3.18Å; D1191-A1194 PolarHBondContact O-N 2.98Å; E1192-A1194 VanDerWaalsContact C-N 3.29Å; E1192-A1194 PolarHBondContact O-N 2.83Å; A1194-E1197 PolarHBondContact O-N 3.1Å; A1194-A1198 WeakPolarHBondContact O-CB 3.48Å; A1194-A1198 PolarHBondContact O-N 3.31Å
1195	A	70.3	Confident	72.8	Confident	64 Å²	64	76.9 Å²	76.9	53%	0.529	43%	0.429	S	S	.	.	H	α-helix	trans	-64.8	-44.9	171.8	0	0	0	0	0	111.2	D1191 E1192 A1198 A1199	D1191-A1195 WeakPolarHBondContact O-CB 3.3Å; D1191-A1195 PolarHBondContact O-N 3Å; E1192-A1195 WeakPolarHBondContact O-CB 3.18Å; E1192-A1195 PolarHBondContact O-N 2.69Å; A1195-A1198 PolarHBondContact O-N 2.91Å; A1195-A1199 PolarHBondContact O-N 3.11Å
1196	I	69	Low	71.4	Confident	53 Å²	53	76.2 Å²	76.2	27%	0.272	43%	0.432	S	S	.	.	H	α-helix	trans	-56.1	-50.2	171.3	-72.8	157.8	0	0	0	110.7	E1192 Q1193 A1199 D1200 R1227	E1192-I1196 HydrophobicContact CG-CD1 4.13Å; E1192-I1196 WeakPolarHBondContact O-CD1 3.49Å; E1192-I1196 WeakPolarHBondContact O-CG1 3.4Å; E1192-I1196 PolarHBondContact O-N 2.93Å; Q1193-I1196 WeakPolarHBondContact O-CB 3.24Å; I1196-A1199 WeakPolarHBondContact O-CB 3.42Å; I1196-A1199 PolarHBondContact O-N 2.87Å; I1196-D1200 PolarHBondContact O-N 3.12Å; I1196-R1227 VanDerWaalsContact CD1-NH2 3.3Å
1197	E	68.9	Low	69.9	Low	80 Å²	80	75.4 Å²	75.4	37%	0.374	42%	0.423	S	S	.	.	H	α-helix	trans	-68.6	-34.6	178.9	-83.2	-159.6	-158.6	0	0	113.4	Q1193 A1194 A1199 D1200 K1201	Q1193-E1197 WeakPolarHBondContact O-CB 3.43Å; Q1193-E1197 WeakPolarHBondContact O-CG 3.37Å; Q1193-E1197 PolarHBondContact O-N 2.92Å; A1194-E1197 PolarHBondContact O-N 3.1Å; E1197-A1199 VanDerWaalsContact C-N 3.3Å; E1197-A1199 PolarHBondContact O-N 2.85Å; E1197-D1200 CarbonylContact O-C 3.56Å; E1197-D1200 PolarHBondContact O-N 2.95Å; E1197-K1201 HydrophobicContact CB-CD 4.46Å; E1197-K1201 WeakPolarHBondContact O-CB 3.46Å; E1197-K1201 WeakPolarHBondContact O-CD 3.43Å; E1197-K1201 VanDerWaalsContact O-CG 3.24Å; E1197-K1201 WeakPolarHBondContact O-CG 3.46Å; E1197-K1201 PolarHBondContact O-N 3.49Å; E1197-K1201 WeakPolarHBondContact OE2-CE 3.31Å; E1197-K1201 IonicContact OE2-NZ 3.71Å; E1197-K1201 PolarHBondContact OE2-NZ 3.44Å
1198	A	66.6	Low	68.6	Low	40 Å²	40	76.3 Å²	76.3	33%	0.331	44%	0.435	S	S	.	.	H	α-helix	trans	-66.2	-35.5	176.3	0	0	0	0	0	111	A1194 A1195 K1202	A1194-A1198 WeakPolarHBondContact O-CB 3.48Å; A1194-A1198 PolarHBondContact O-N 3.31Å; A1195-A1198 PolarHBondContact O-N 2.91Å; A1198-K1202 WeakPolarHBondContact O-CB 3.39Å; A1198-K1202 WeakPolarHBondContact O-CD 3.47Å; A1198-K1202 VanDerWaalsContact O-CG 3.22Å; A1198-K1202 WeakPolarHBondContact O-CG 3.43Å; A1198-K1202 PolarHBondContact O-N 3.48Å; A1198-K1202 VanDerWaalsContact O-N 3.08Å
1199	A	64.9	Low	67.7	Low	45 Å²	45	76.4 Å²	76.4	37%	0.372	44%	0.439	S	S	.	.	H	α-helix	trans	-63.7	-52.3	167.6	0	0	0	0	0	111	A1195 I1196 E1197 K1201 K1202 L1203	A1195-A1199 PolarHBondContact O-N 3.11Å; I1196-A1199 WeakPolarHBondContact O-CB 3.42Å; I1196-A1199 PolarHBondContact O-N 2.87Å; E1197-A1199 VanDerWaalsContact C-N 3.3Å; E1197-A1199 PolarHBondContact O-N 2.85Å; A1199-K1201 VanDerWaalsContact C-N 3.29Å; A1199-K1201 PolarHBondContact O-N 2.68Å; A1199-K1202 PolarHBondContact O-N 3.18Å; A1199-L1203 VanDerWaalsContact O-CB 3.31Å; A1199-L1203 WeakPolarHBondContact O-CB 3.37Å; A1199-L1203 VanDerWaalsContact O-CG 3.31Å; A1199-L1203 WeakPolarHBondContact O-CG 3.46Å; A1199-L1203 PolarHBondContact O-N 2.7Å
1200	D	65.2	Low	66.6	Low	30 Å²	30	79.9 Å²	79.9	16%	0.16	45%	0.454	C	S	.	.	H	α-helix	trans	-66.6	-26.1	-177.5	-152.4	55.1	0	0	0	113.4	I1196 E1197 L1203 K1204 R1220	I1196-D1200 PolarHBondContact O-N 3.12Å; E1197-D1200 CarbonylContact O-C 3.56Å; E1197-D1200 PolarHBondContact O-N 2.95Å; D1200-L1203 WeakPolarHBondContact O-CB 3.47Å; D1200-K1204 WeakPolarHBondContact O-CB 3.18Å; D1200-K1204 WeakPolarHBondContact O-CD 3.37Å; D1200-K1204 VanDerWaalsContact O-CG 3.24Å; D1200-K1204 WeakPolarHBondContact O-CG 3.4Å; D1200-K1204 PolarHBondContact O-N 3.25Å; D1200-K1204 WeakPolarHBondContact OD2-CE 3.38Å; D1200-K1204 IonicContact OD2-NZ 2.86Å; D1200-K1204 PolarHBondContact OD2-NZ 3.36Å; D1200-R1220 IonicContact OD1-CZ 3.83Å; D1200-R1220 IonicContact OD1-NE 3.56Å; D1200-R1220 PolarHBondContact OD1-NE 3Å; D1200-R1220 IonicContact OD1-NH2 3.46Å; D1200-R1220 PolarHBondContact OD1-NH2 3.24Å; D1200-R1220 VanDerWaalsContact OD1-NH2 3.15Å; D1200-R1220 IonicContact OD2-CZ 3.7Å; D1200-R1220 IonicContact OD2-NE 3.64Å; D1200-R1220 IonicContact OD2-NH2 2.68Å; D1200-R1220 PolarHBondContact OD2-NH2 3.21Å
1201	K	65.1	Low	65.3	Low	114 Å²	114	80.9 Å²	80.9	50%	0.496	46%	0.463	S	S	.	.	H	α-helix	trans	-75.6	-45.3	172.1	-77.2	160.9	172.4	155.3	0	112	E1197 A1199 L1203 K1204 I1205	E1197-K1201 HydrophobicContact CB-CD 4.46Å; E1197-K1201 WeakPolarHBondContact O-CB 3.46Å; E1197-K1201 WeakPolarHBondContact O-CD 3.43Å; E1197-K1201 VanDerWaalsContact O-CG 3.24Å; E1197-K1201 WeakPolarHBondContact O-CG 3.46Å; E1197-K1201 PolarHBondContact O-N 3.49Å; E1197-K1201 WeakPolarHBondContact OE2-CE 3.31Å; E1197-K1201 IonicContact OE2-NZ 3.71Å; E1197-K1201 PolarHBondContact OE2-NZ 3.44Å; A1199-K1201 VanDerWaalsContact C-N 3.29Å; A1199-K1201 PolarHBondContact O-N 2.68Å; K1201-L1203 VanDerWaalsContact C-N 3.26Å; K1201-L1203 PolarHBondContact O-N 3.2Å; K1201-K1204 PolarHBondContact O-N 2.77Å; K1201-I1205 WeakPolarHBondContact O-CG1 3.48Å; K1201-I1205 PolarHBondContact O-N 3.46Å
1202	K	63	Low	64.4	Low	156 Å²	156	76 Å²	76	68%	0.678	44%	0.439	S	S	*	.	H	α-helix	trans	-58.1	-41.3	171.2	-74.4	167	-175.8	168.7	0	111	A1198 A1199 I1205 A1206	A1198-K1202 WeakPolarHBondContact O-CB 3.39Å; A1198-K1202 WeakPolarHBondContact O-CD 3.47Å; A1198-K1202 VanDerWaalsContact O-CG 3.22Å; A1198-K1202 WeakPolarHBondContact O-CG 3.43Å; A1198-K1202 PolarHBondContact O-N 3.48Å; A1198-K1202 VanDerWaalsContact O-N 3.08Å; A1199-K1202 PolarHBondContact O-N 3.18Å; K1202-I1205 PolarHBondContact O-N 3.13Å; K1202-A1206 PolarHBondContact O-N 3.46Å
1203	L	58.7	Low	63.6	Low	19 Å²	19	78.6 Å²	78.6	10%	0.099	44%	0.444	C	S	.	.	H	α-helix	trans	-57.2	-53.1	171.9	-85.2	165.9	0	0	0	113	A1199 D1200 K1201 I1205 A1206 S1207 A1216 S1219 R1220	A1199-L1203 VanDerWaalsContact O-CB 3.31Å; A1199-L1203 WeakPolarHBondContact O-CB 3.37Å; A1199-L1203 VanDerWaalsContact O-CG 3.31Å; A1199-L1203 WeakPolarHBondContact O-CG 3.46Å; A1199-L1203 PolarHBondContact O-N 2.7Å; D1200-L1203 WeakPolarHBondContact O-CB 3.47Å; K1201-L1203 VanDerWaalsContact C-N 3.26Å; K1201-L1203 PolarHBondContact O-N 3.2Å; L1203-I1205 VanDerWaalsContact C-N 3.34Å; L1203-I1205 PolarHBondContact O-N 2.78Å; L1203-A1206 PolarHBondContact O-N 3.31Å; L1203-S1207 PolarHBondContact O-N 2.88Å; L1203-A1216 HydrophobicContact CD2-CB 4.12Å; L1203-A1216 WeakPolarHBondContact CD2-O 3.07Å; L1203-A1216 VanDerWaalsContact O-CB 3.31Å; L1203-A1216 WeakPolarHBondContact O-CB 3.18Å; L1203-S1219 VanDerWaalsContact CD2-CB 3.5Å; L1203-R1220 HydrophobicContact CD1-CB 4.01Å; L1203-R1220 HydrophobicContact CD1-CG 4.18Å; L1203-R1220 HydrophobicContact CD2-CB 4.08Å
1204	K	61.2	Low	63	Low	118 Å²	118	79.4 Å²	79.4	51%	0.513	46%	0.455	S	S	.	.	H	α-helix	trans	-59.6	-41.9	177.7	-78.2	161.2	177.4	151.1	0	112	D1200 K1201 S1207	D1200-K1204 WeakPolarHBondContact O-CB 3.18Å; D1200-K1204 WeakPolarHBondContact O-CD 3.37Å; D1200-K1204 VanDerWaalsContact O-CG 3.24Å; D1200-K1204 WeakPolarHBondContact O-CG 3.4Å; D1200-K1204 PolarHBondContact O-N 3.25Å; D1200-K1204 WeakPolarHBondContact OD2-CE 3.38Å; D1200-K1204 IonicContact OD2-NZ 2.86Å; D1200-K1204 PolarHBondContact OD2-NZ 3.36Å; K1201-K1204 PolarHBondContact O-N 2.77Å; K1204-S1207 WeakPolarHBondContact O-CB 3.3Å; K1204-S1207 PolarHBondContact O-N 3.08Å; K1204-S1207 PolarHBondContact O-OG 2.84Å
1205	I	62.5	Low	62.1	Low	123 Å²	123	79.4 Å²	79.4	63%	0.631	46%	0.455	S	S	*	.	H	α-helix	trans	-62.8	-45.6	176.6	-67.6	166.2	0	0	0	111.1	K1201 K1202 L1203 S1207 T1208	K1201-I1205 WeakPolarHBondContact O-CG1 3.48Å; K1201-I1205 PolarHBondContact O-N 3.46Å; K1202-I1205 PolarHBondContact O-N 3.13Å; L1203-I1205 VanDerWaalsContact C-N 3.34Å; L1203-I1205 PolarHBondContact O-N 2.78Å; I1205-S1207 PolarHBondContact O-N 3.32Å; I1205-T1208 WeakPolarHBondContact O-CG2 3.5Å; I1205-T1208 PolarHBondContact O-N 2.91Å; I1205-T1208 PolarHBondContact O-OG1 2.84Å
1206	A	58.3	Low	61.4	Low	39 Å²	39	76.7 Å²	76.7	32%	0.322	43%	0.433	S	S	.	.	H	α-helix	trans	-58.3	-36.5	175.8	0	0	0	0	0	112.2	K1202 L1203 T1208 T1209 G1212 A1216	K1202-A1206 PolarHBondContact O-N 3.46Å; L1203-A1206 PolarHBondContact O-N 3.31Å; A1206-T1208 PolarHBondContact O-N 3.17Å; A1206-T1209 PolarHBondContact O-N 2.84Å; A1206-G1212 CarbonylContact C-O 3.09Å; A1206-G1212 CarbonylContact O-C 3.51Å; A1206-G1212 WeakPolarHBondContact O-CA 3.3Å; A1206-A1216 HydrophobicContact CB-CB 4.31Å
1207	S	57	Low	61	Low	42 Å²	42	79 Å²	79	29%	0.294	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-9.5	-176	81.4	0	0	0	0	116.1	L1203 K1204 I1205 T1209 R1213	L1203-S1207 PolarHBondContact O-N 2.88Å; K1204-S1207 WeakPolarHBondContact O-CB 3.3Å; K1204-S1207 PolarHBondContact O-N 3.08Å; K1204-S1207 PolarHBondContact O-OG 2.84Å; I1205-S1207 PolarHBondContact O-N 3.32Å; S1207-T1209 VanDerWaalsContact C-N 3.33Å; S1207-T1209 PolarHBondContact O-N 3.42Å; S1207-R1213 WeakPolarHBondContact O-CG 3.39Å
1208	T	61.7	Low	60.7	Low	115 Å²	115	82.1 Å²	82.1	71%	0.706	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-16.9	-179.4	58.5	0	0	0	0	114.9	I1205 A1206	I1205-T1208 WeakPolarHBondContact O-CG2 3.5Å; I1205-T1208 PolarHBondContact O-N 2.91Å; I1205-T1208 PolarHBondContact O-OG1 2.84Å; A1206-T1208 PolarHBondContact O-N 3.17Å
1209	T	63.8	Low	60.3	Low	82 Å²	82	83.3 Å²	83.3	50%	0.503	47%	0.467	S	S	.	.	S	Bend	trans	-113.2	150.3	176.7	62.8	0	0	0	0	110.6	A1206 S1207 A1211 G1212 R1213	A1206-T1209 PolarHBondContact O-N 2.84Å; S1207-T1209 VanDerWaalsContact C-N 3.33Å; S1207-T1209 PolarHBondContact O-N 3.42Å; T1209-A1211 VanDerWaalsContact C-N 3.32Å; T1209-A1211 PolarHBondContact O-N 2.86Å; T1209-G1212 CarbonylContact O-C 3.53Å; T1209-G1212 PolarHBondContact O-N 3.12Å; T1209-G1212 VanDerWaalsContact O-N 3.07Å; T1209-G1212 WeakPolarHBondContact OG1-CA 3.23Å; T1209-G1212 PolarHBondContact OG1-N 2.83Å; T1209-G1212 VanDerWaalsContact OG1-N 3.13Å; T1209-R1213 WeakPolarHBondContact O-CB 3.28Å; T1209-R1213 PolarHBondContact O-N 2.95Å
1210	T	57.7	Low	60.2	Low	130 Å²	130	86.2 Å²	86.2	80%	0.798	47%	0.469	S	S	*	.	H	α-helix	trans	-58.3	-41.8	-174.7	-16.6	0	0	0	0	113.1
1211	A	56.7	Low	60.2	Low	80 Å²	80	90.9 Å²	90.9	66%	0.661	49%	0.488	S	S	*	.	H	α-helix	trans	-69.8	-43	173.9	0	0	0	0	0	112.2	T1209 R1213 V1214 A1215	T1209-A1211 VanDerWaalsContact C-N 3.32Å; T1209-A1211 PolarHBondContact O-N 2.86Å; A1211-R1213 VanDerWaalsContact C-N 3.26Å; A1211-R1213 PolarHBondContact O-N 2.83Å; A1211-V1214 PolarHBondContact O-N 2.82Å; A1211-A1215 PolarHBondContact O-N 3.41Å; A1211-A1215 VanDerWaalsContact O-N 3.11Å
1212	G	59.4	Low	60.4	Low	11 Å²	11	90.1 Å²	90.1	11%	0.113	49%	0.488	C	S	.	.	H	α-helix	trans	-68.2	-21.4	177.5	0	0	0	0	0	113.9	A1206 T1209 A1215 A1216	A1206-G1212 CarbonylContact C-O 3.09Å; A1206-G1212 CarbonylContact O-C 3.51Å; A1206-G1212 WeakPolarHBondContact O-CA 3.3Å; T1209-G1212 CarbonylContact O-C 3.53Å; T1209-G1212 PolarHBondContact O-N 3.12Å; T1209-G1212 VanDerWaalsContact O-N 3.07Å; T1209-G1212 WeakPolarHBondContact OG1-CA 3.23Å; T1209-G1212 PolarHBondContact OG1-N 2.83Å; T1209-G1212 VanDerWaalsContact OG1-N 3.13Å; G1212-A1215 PolarHBondContact O-N 3.09Å; G1212-A1216 WeakPolarHBondContact O-CB 3.31Å; G1212-A1216 PolarHBondContact O-N 3.25Å
1213	R	56.9	Low	60.5	Low	168 Å²	168	84.7 Å²	84.7	63%	0.634	47%	0.473	S	S	*	.	H	α-helix	trans	-68	-42.1	172.2	-149.5	170.1	-167.9	-176.3	3.7	111.2	S1207 T1209 A1211 A1216 T1217	S1207-R1213 WeakPolarHBondContact O-CG 3.39Å; T1209-R1213 WeakPolarHBondContact O-CB 3.28Å; T1209-R1213 PolarHBondContact O-N 2.95Å; A1211-R1213 VanDerWaalsContact C-N 3.26Å; A1211-R1213 PolarHBondContact O-N 2.83Å; R1213-A1216 PolarHBondContact O-N 2.85Å; R1213-T1217 PolarHBondContact O-N 2.69Å; R1213-T1217 PolarHBondContact O-OG1 2.88Å; R1213-T1217 VanDerWaalsContact O-OG1 3.08Å
1214	V	60.3	Low	61.1	Low	108 Å²	108	89.3 Å²	89.3	66%	0.655	50%	0.495	S	S	*	.	H	α-helix	trans	-65.8	-45	171.9	-178.8	0	0	0	0	111	A1211 A1216 T1217 K1218	A1211-V1214 PolarHBondContact O-N 2.82Å; V1214-A1216 VanDerWaalsContact C-N 3.33Å; V1214-A1216 PolarHBondContact O-N 3.06Å; V1214-T1217 PolarHBondContact O-N 2.85Å; V1214-K1218 WeakPolarHBondContact O-CB 3.32Å; V1214-K1218 PolarHBondContact O-N 2.79Å
1215	A	58.1	Low	62	Low	51 Å²	51	85.4 Å²	85.4	42%	0.421	48%	0.479	S	S	.	.	H	α-helix	trans	-61.4	-41.2	176.2	0	0	0	0	0	112.1	A1211 G1212 K1218 S1219	A1211-A1215 PolarHBondContact O-N 3.41Å; A1211-A1215 VanDerWaalsContact O-N 3.11Å; G1212-A1215 PolarHBondContact O-N 3.09Å; A1215-K1218 PolarHBondContact O-N 3.24Å; A1215-S1219 WeakPolarHBondContact O-CB 3.45Å; A1215-S1219 PolarHBondContact O-N 2.65Å; A1215-S1219 PolarHBondContact O-OG 2.72Å
1216	A	55.4	Low	62.7	Low	7 Å²	7	81.7 Å²	81.7	6%	0.058	46%	0.462	C	S	.	.	H	α-helix	trans	-66.5	-47.5	177	0	0	0	0	0	112	L1203 A1206 G1212 R1213 V1214 K1218 S1219 R1220	L1203-A1216 HydrophobicContact CD2-CB 4.12Å; L1203-A1216 WeakPolarHBondContact CD2-O 3.07Å; L1203-A1216 VanDerWaalsContact O-CB 3.31Å; L1203-A1216 WeakPolarHBondContact O-CB 3.18Å; A1206-A1216 HydrophobicContact CB-CB 4.31Å; G1212-A1216 WeakPolarHBondContact O-CB 3.31Å; G1212-A1216 PolarHBondContact O-N 3.25Å; R1213-A1216 PolarHBondContact O-N 2.85Å; V1214-A1216 VanDerWaalsContact C-N 3.33Å; V1214-A1216 PolarHBondContact O-N 3.06Å; A1216-K1218 VanDerWaalsContact C-N 3.25Å; A1216-K1218 PolarHBondContact O-N 3.5Å; A1216-S1219 PolarHBondContact O-N 3.06Å; A1216-R1220 VanDerWaalsContact O-CB 3.29Å; A1216-R1220 WeakPolarHBondContact O-CB 3.41Å; A1216-R1220 PolarHBondContact O-N 3.22Å
1217	T	59.8	Low	63.7	Low	101 Å²	101	85.6 Å²	85.6	62%	0.62	47%	0.469	S	S	*	.	H	α-helix	trans	-58.1	-40.4	174.5	-61.1	0	0	0	0	111.1	R1213 V1214 K1221	R1213-T1217 PolarHBondContact O-N 2.69Å; R1213-T1217 PolarHBondContact O-OG1 2.88Å; R1213-T1217 VanDerWaalsContact O-OG1 3.08Å; V1214-T1217 PolarHBondContact O-N 2.85Å; T1217-K1221 WeakPolarHBondContact O-CB 3.3Å; T1217-K1221 PolarHBondContact O-N 2.83Å
1218	K	61.5	Low	64.9	Low	146 Å²	146	86.7 Å²	86.7	64%	0.635	47%	0.474	S	S	*	.	H	α-helix	trans	-66	-48.3	176.6	-172.1	176	-179.2	-179.8	0	112.9	V1214 A1215 A1216 K1221 L1222	V1214-K1218 WeakPolarHBondContact O-CB 3.32Å; V1214-K1218 PolarHBondContact O-N 2.79Å; A1215-K1218 PolarHBondContact O-N 3.24Å; A1216-K1218 VanDerWaalsContact C-N 3.25Å; A1216-K1218 PolarHBondContact O-N 3.5Å; K1218-K1221 WeakPolarHBondContact O-CB 3.41Å; K1218-K1221 PolarHBondContact O-N 2.9Å; K1218-L1222 PolarHBondContact O-N 3.48Å
1219	S	59.1	Low	66	Low	64 Å²	64	83.7 Å²	83.7	45%	0.448	45%	0.454	S	S	.	.	H	α-helix	trans	-72.4	-28.1	-178.6	-71.5	0	0	0	0	112.9	L1203 A1215 A1216 L1222 A1223	L1203-S1219 VanDerWaalsContact CD2-CB 3.5Å; A1215-S1219 WeakPolarHBondContact O-CB 3.45Å; A1215-S1219 PolarHBondContact O-N 2.65Å; A1215-S1219 PolarHBondContact O-OG 2.72Å; A1216-S1219 PolarHBondContact O-N 3.06Å; S1219-L1222 PolarHBondContact O-N 2.91Å; S1219-A1223 PolarHBondContact O-N 3.21Å; S1219-A1223 VanDerWaalsContact O-N 3.11Å
1220	R	62.3	Low	66.8	Low	107 Å²	107	85.8 Å²	85.8	40%	0.404	47%	0.469	S	S	.	.	H	α-helix	trans	-72.3	-35.8	172.2	-158.5	177.2	-150.5	-135.3	0.4	111.3	D1200 L1203 A1216 A1223 M1224	D1200-R1220 IonicContact OD1-CZ 3.83Å; D1200-R1220 IonicContact OD1-NE 3.56Å; D1200-R1220 PolarHBondContact OD1-NE 3Å; D1200-R1220 IonicContact OD1-NH2 3.46Å; D1200-R1220 PolarHBondContact OD1-NH2 3.24Å; D1200-R1220 VanDerWaalsContact OD1-NH2 3.15Å; D1200-R1220 IonicContact OD2-CZ 3.7Å; D1200-R1220 IonicContact OD2-NE 3.64Å; D1200-R1220 IonicContact OD2-NH2 2.68Å; D1200-R1220 PolarHBondContact OD2-NH2 3.21Å; L1203-R1220 HydrophobicContact CD1-CB 4.01Å; L1203-R1220 HydrophobicContact CD1-CG 4.18Å; L1203-R1220 HydrophobicContact CD2-CB 4.08Å; A1216-R1220 VanDerWaalsContact O-CB 3.29Å; A1216-R1220 WeakPolarHBondContact O-CB 3.41Å; A1216-R1220 PolarHBondContact O-N 3.22Å; R1220-A1223 PolarHBondContact O-N 2.67Å; R1220-M1224 WeakPolarHBondContact O-CG 3.3Å; R1220-M1224 PolarHBondContact O-N 2.64Å
1221	K	66.1	Low	67.9	Low	128 Å²	128	88 Å²	88	56%	0.557	47%	0.473	S	S	*	.	H	α-helix	trans	-60.4	-47.1	169.6	-164.3	-179	-174.3	-99.3	0	110.9	T1217 K1218 A1223 M1224 E1225	T1217-K1221 WeakPolarHBondContact O-CB 3.3Å; T1217-K1221 PolarHBondContact O-N 2.83Å; K1218-K1221 WeakPolarHBondContact O-CB 3.41Å; K1218-K1221 PolarHBondContact O-N 2.9Å; K1221-A1223 VanDerWaalsContact C-N 3.32Å; K1221-A1223 PolarHBondContact O-N 3.2Å; K1221-M1224 CarbonylContact O-C 3.51Å; K1221-M1224 PolarHBondContact O-N 3.33Å; K1221-E1225 WeakPolarHBondContact CE-OE1 3.44Å; K1221-E1225 HydrophobicContact CG-CG 4.42Å; K1221-E1225 WeakPolarHBondContact CG-OE1 3.32Å; K1221-E1225 IonicContact NZ-OE1 2.78Å; K1221-E1225 PolarHBondContact NZ-OE1 3.19Å; K1221-E1225 WeakPolarHBondContact O-CB 3.49Å; K1221-E1225 VanDerWaalsContact O-CG 3.32Å; K1221-E1225 WeakPolarHBondContact O-CG 3.39Å; K1221-E1225 PolarHBondContact O-N 3.24Å
1222	L	68.3	Low	69.2	Low	97 Å²	97	84.8 Å²	84.8	51%	0.508	45%	0.447	S	S	.	.	H	α-helix	trans	-55.7	-42.3	174.5	-111.2	73.4	0	0	0	113.1	K1218 S1219 M1224 E1225	K1218-L1222 PolarHBondContact O-N 3.48Å; S1219-L1222 PolarHBondContact O-N 2.91Å; L1222-M1224 VanDerWaalsContact C-N 3.3Å; L1222-M1224 PolarHBondContact O-N 3.28Å; L1222-E1225 PolarHBondContact O-N 3.16Å
1223	A	66.5	Low	70.6	Confident	43 Å²	43	90.9 Å²	90.9	36%	0.355	47%	0.467	S	S	.	.	H	α-helix	trans	-74.6	-16.4	178.2	0	0	0	0	0	114.2	S1219 R1220 K1221	S1219-A1223 PolarHBondContact O-N 3.21Å; S1219-A1223 VanDerWaalsContact O-N 3.11Å; R1220-A1223 PolarHBondContact O-N 2.67Å; K1221-A1223 VanDerWaalsContact C-N 3.32Å; K1221-A1223 PolarHBondContact O-N 3.2Å
1224	M	70.9	Confident	72.1	Confident	115 Å²	115	87.1 Å²	87.1	57%	0.567	45%	0.453	S	S	*	.	H	α-helix	trans	-90.4	-26.2	169.6	-73.3	174.3	153.1	0	0	111.7	R970 R1220 K1221 L1222 T1226 R1227	R970-M1224 PolarHBondContact NH1-O 2.96Å; R1220-M1224 WeakPolarHBondContact O-CG 3.3Å; R1220-M1224 PolarHBondContact O-N 2.64Å; K1221-M1224 CarbonylContact O-C 3.51Å; K1221-M1224 PolarHBondContact O-N 3.33Å; L1222-M1224 VanDerWaalsContact C-N 3.3Å; L1222-M1224 PolarHBondContact O-N 3.28Å; M1224-T1226 VanDerWaalsContact C-N 3.25Å; M1224-T1226 PolarHBondContact O-N 2.96Å; M1224-R1227 PolarHBondContact O-N 2.79Å
1225	E	79.1	Confident	73.4	Confident	37 Å²	37	84 Å²	84	17%	0.173	43%	0.432	C	S	.	.	H	α-helix	trans	-64.5	-26.6	175.3	-79.4	165.8	178.3	0	0	112.1	Y963 R970 K1221 L1222	Y963-E1225 WeakPolarHBondContact CB-O 3.45Å; Y963-E1225 HydrophobicContact CD1-CB 3.82Å; Y963-E1225 HydrophobicContact CE1-CB 3.89Å; Y963-E1225 HydrophobicContact CE1-CG 4.15Å; Y963-E1225 HydrophobicContact CG-CB 4.42Å; R970-E1225 VanDerWaalsContact CD-O 3.29Å; R970-E1225 WeakPolarHBondContact CD-O 3.45Å; R970-E1225 PolarHBondContact NH1-O 3Å; K1221-E1225 WeakPolarHBondContact CE-OE1 3.44Å; K1221-E1225 HydrophobicContact CG-CG 4.42Å; K1221-E1225 WeakPolarHBondContact CG-OE1 3.32Å; K1221-E1225 IonicContact NZ-OE1 2.78Å; K1221-E1225 PolarHBondContact NZ-OE1 3.19Å; K1221-E1225 WeakPolarHBondContact O-CB 3.49Å; K1221-E1225 VanDerWaalsContact O-CG 3.32Å; K1221-E1225 WeakPolarHBondContact O-CG 3.39Å; K1221-E1225 PolarHBondContact O-N 3.24Å; L1222-E1225 PolarHBondContact O-N 3.16Å
1226	T	77.7	Confident	74.7	Confident	45 Å²	45	87.4 Å²	87.4	28%	0.276	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.2	175.3	62.5	0	0	0	0	115.5	Y963 T965 M1224	Y963-T1226 WeakPolarHBondContact O-CA 3.13Å; Y963-T1226 WeakPolarHBondContact O-CB 3.5Å; Y963-T1226 WeakPolarHBondContact O-CG2 3.33Å; T965-T1226 HydrophobicContact CG2-CG2 4.01Å; M1224-T1226 VanDerWaalsContact C-N 3.25Å; M1224-T1226 PolarHBondContact O-N 2.96Å
1227	R	79.4	Confident	76	Confident	121 Å²	121	87.8 Å²	87.8	46%	0.457	45%	0.449	S	S	.	.	S	Bend	trans	-102.6	147.1	-178	-71.1	-178.4	167.5	-158.3	-9.5	111.7	R970 I1196 M1224	R970-R1227 PolarHBondContact NE-O 3.06Å; R970-R1227 PolarHBondContact NH1-O 3.01Å; R970-R1227 PolarHBondContact NH2-O 2.79Å; I1196-R1227 VanDerWaalsContact CD1-NH2 3.3Å; M1224-R1227 PolarHBondContact O-N 2.79Å
1228	P	82.6	Confident	76.8	Confident	64 Å²	64	88.1 Å²	88.1	42%	0.416	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-50	141.5	171.3	-28.1	36.2	0	0	0	112.3	T927	T927-P1228 HydrophobicContact CG2-CB 3.78Å; T927-P1228 HydrophobicContact CG2-CG 3.89Å
1229	D	83.8	Confident	77.3	Confident	53 Å²	53	83.1 Å²	83.1	28%	0.283	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-72	129.7	-178	-156.5	-78.3	0	0	0	111.1	L919 E925 R970 M1231 G1232 R1234	L919-D1229 HydrophobicContact CD2-CB 3.6Å; E925-D1229 WeakPolarHBondContact OE1-CB 3.36Å; E925-D1229 PolarHBondContact OE1-N 2.71Å; E925-D1229 PolarHBondContact OE2-N 3.09Å; R970-D1229 IonicContact NH2-OD2 2.79Å; D1229-M1231 PolarHBondContact O-N 2.93Å; D1229-M1231 PolarHBondContact OD1-N 2.95Å; D1229-G1232 PolarHBondContact O-N 2.88Å; D1229-R1234 PolarHBondContact O-NH1 3.29Å; D1229-R1234 PolarHBondContact O-NH2 3.23Å
1230	P	81.2	Confident	77.8	Confident	126 Å²	126	81.4 Å²	81.4	82%	0.818	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-12.1	179.5	30.8	-36.8	0	0	0	114
1231	M	82	Confident	78.1	Confident	177 Å²	177	78.8 Å²	78.8	87%	0.872	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-7.7	175.9	-68.1	-175.7	166.1	0	0	113.3	D1229 R1233	D1229-M1231 PolarHBondContact O-N 2.93Å; D1229-M1231 PolarHBondContact OD1-N 2.95Å; M1231-R1233 PolarHBondContact O-N 3.15Å
1232	G	82.6	Confident	78.2	Confident	12 Å²	12	75.9 Å²	75.9	12%	0.124	41%	0.41	C	S	.	.	S	Bend	trans	-65.6	128.2	-179.8	0	0	0	0	0	113.2	D1229 R1234	D1229-G1232 PolarHBondContact O-N 2.88Å; G1232-R1234 PolarHBondContact O-N 2.79Å
1233	R	89.3	Confident	78.3	Confident	138 Å²	138	72.1 Å²	72.1	52%	0.521	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	87.2	175.5	-170.5	-167.5	69.3	-170.6	-1.6	109.7	A917 V918 E984 M1231 I1235	A917-R1233 WeakPolarHBondContact CA-O 3.37Å; V918-R1233 PolarHBondContact N-O 3.45Å; V918-R1233 PolarHBondContact O-N 2.83Å; E984-R1233 IonicContact OE1-CZ 2.72Å; E984-R1233 IonicContact OE1-NH1 2.69Å; E984-R1233 IonicContact OE1-NH2 3Å; E984-R1233 PolarHBondContact OE1-NH2 2.62Å; M1231-R1233 PolarHBondContact O-N 3.15Å; R1233-I1235 WeakPolarHBondContact O-CD1 3.26Å
1234	R	88.5	Confident	78.4	Confident	90 Å²	90	74.9 Å²	74.9	34%	0.34	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	135.7	172.1	-61.5	-78.1	176.3	-77	-17.1	110	A917 E925 D1229 G1232	A917-R1234 HydrophobicContact CB-CG 4.43Å; E925-R1234 IonicContact OE1-CZ 2.68Å; E925-R1234 IonicContact OE1-NH1 3.66Å; E925-R1234 PolarHBondContact OE1-NH1 3Å; E925-R1234 IonicContact OE1-NH2 3.26Å; D1229-R1234 PolarHBondContact O-NH1 3.29Å; D1229-R1234 PolarHBondContact O-NH2 3.23Å; G1232-R1234 PolarHBondContact O-N 2.79Å
1235	I	87.7	Confident	78.2	Confident	43 Å²	43	75.6 Å²	75.6	22%	0.221	40%	0.397	C	S	.	.			trans	-104.2	119.7	-177.1	-54.7	-62.7	0	0	0	108.1	V916 V918 L988 H989 R1233	V916-I1235 HydrophobicContact CG1-CB 4.04Å; V916-I1235 HydrophobicContact CG1-CG1 4.34Å; V916-I1235 PolarHBondContact O-N 3.05Å; V918-I1235 HydrophobicContact CG2-CD1 4.2Å; V918-I1235 HydrophobicContact CG2-CG1 4.41Å; L988-I1235 HydrophobicContact CD1-CD1 4.42Å; L988-I1235 HydrophobicContact CD1-CG1 3.91Å; H989-I1235 PolarHBondContact CE1-O 2.92Å; R1233-I1235 WeakPolarHBondContact O-CD1 3.26Å
1236	V	85.8	Confident	77.6	Confident	122 Å²	122	80.3 Å²	80.3	74%	0.739	42%	0.417	S	S	*	.			trans	-70	130.2	174.3	-172.9	0	0	0	0	108.5
1237	P	81.7	Confident	76.9	Confident	14 Å²	14	79 Å²	79	9%	0.091	41%	0.409	C	S	.	.			trans	-64.1	158.9	173.5	23	-29.3	0	0	0	111.7	T901 Y913 H989	T901-P1237 HydrophobicContact CG2-CG 4.5Å; T901-P1237 VanDerWaalsContact OG1-CG 3.22Å; T901-P1237 WeakPolarHBondContact OG1-CG 3.47Å; Y913-P1237 HydrophobicContact CD1-CB 3.44Å; Y913-P1237 VanDerWaalsContact CD1-CB 3.44Å; Y913-P1237 HydrophobicContact CD1-CG 4.32Å; Y913-P1237 HydrophobicContact CD2-CB 3.79Å; Y913-P1237 HydrophobicContact CD2-CG 3.87Å; Y913-P1237 HydrophobicContact CE1-CB 3.65Å; Y913-P1237 HydrophobicContact CE2-CB 3.98Å; Y913-P1237 HydrophobicContact CE2-CG 4.29Å; Y913-P1237 HydrophobicContact CG-CB 3.48Å; Y913-P1237 VanDerWaalsContact CG-CB 3.48Å; Y913-P1237 HydrophobicContact CG-CG 3.85Å; H989-P1237 VanDerWaalsContact CE1-CA 3.5Å; H989-P1237 WeakPolarHBondContact CE1-CA 3.35Å
1238	T	77.2	Confident	76.1	Confident	108 Å²	108	77.9 Å²	77.9	66%	0.663	41%	0.409	S	S	*	.			trans	-141.9	136	177.7	47.3	0	0	0	0	108.9	D1240	T1238-D1240 PolarHBondContact O-N 3.33Å
1239	V	72.2	Confident	75	Confident	41 Å²	41	76.5 Å²	76.5	25%	0.248	41%	0.407	C	S	.	.			trans	-65.1	109.5	-178.8	-171.4	0	0	0	0	110.1	E903 L905 Y913 A1241 M1244	E903-V1239 WeakPolarHBondContact OE2-CG2 3.43Å; L905-V1239 HydrophobicContact CD2-CG1 3.59Å; Y913-V1239 WeakPolarHBondContact OH-CA 3.38Å; V1239-A1241 PolarHBondContact O-N 3.26Å; V1239-M1244 HydrophobicContact CB-CE 4.45Å; V1239-M1244 HydrophobicContact CB-CG 4.43Å; V1239-M1244 HydrophobicContact CG1-CE 4.5Å; V1239-M1244 HydrophobicContact CG1-CG 3.52Å; V1239-M1244 HydrophobicContact CG1-SD 4.25Å
1240	D	69.6	Low	73.8	Confident	28 Å²	28	77.6 Å²	77.6	15%	0.15	41%	0.412	C	S	.	.			trans	-52.7	126.3	176.9	178.3	4.3	0	0	0	111.3	K990 T1238 D1242 I1243 M1244	K990-D1240 WeakPolarHBondContact CD-OD2 3.5Å; K990-D1240 WeakPolarHBondContact CE-OD2 3.43Å; K990-D1240 IonicContact NZ-OD1 2.69Å; K990-D1240 PolarHBondContact NZ-OD1 2.85Å; K990-D1240 IonicContact NZ-OD2 3.17Å; K990-D1240 PolarHBondContact NZ-OD2 2.86Å; T1238-D1240 PolarHBondContact O-N 3.33Å; D1240-D1242 PolarHBondContact O-N 3.25Å; D1240-D1242 VanDerWaalsContact O-N 3.09Å; D1240-D1242 WeakPolarHBondContact OD1-CB 3.47Å; D1240-D1242 PolarHBondContact OD1-N 2.87Å; D1240-I1243 HydrophobicContact CB-CB 4.35Å; D1240-I1243 HydrophobicContact CB-CD1 3.95Å; D1240-I1243 HydrophobicContact CB-CG1 3.94Å; D1240-I1243 WeakPolarHBondContact O-CA 3.41Å; D1240-I1243 WeakPolarHBondContact O-CB 3.29Å; D1240-I1243 PolarHBondContact O-N 3.06Å; D1240-M1244 PolarHBondContact O-N 3.02Å; D1240-M1244 VanDerWaalsContact O-N 3.11Å
1241	A	67.4	Low	72.5	Confident	53 Å²	53	75.9 Å²	75.9	44%	0.438	39%	0.392	S	S	.	.	H	α-helix	trans	-58.1	-25.2	178.1	0	0	0	0	0	112.6	V1239 K1245	V1239-A1241 PolarHBondContact O-N 3.26Å; A1241-K1245 WeakPolarHBondContact O-CB 3.43Å; A1241-K1245 WeakPolarHBondContact O-CD 3.5Å; A1241-K1245 WeakPolarHBondContact O-CG 3.26Å; A1241-K1245 PolarHBondContact O-N 2.81Å
1242	D	69	Low	71.1	Confident	67 Å²	67	74 Å²	74	36%	0.358	38%	0.379	S	S	.	.	H	α-helix	trans	-73.3	-26.8	173.1	-63.4	-29.8	0	0	0	113	K990 D1240 K1245 K1246	K990-D1242 IonicContact NZ-OD2 3.19Å; K990-D1242 PolarHBondContact NZ-OD2 3.19Å; D1240-D1242 PolarHBondContact O-N 3.25Å; D1240-D1242 VanDerWaalsContact O-N 3.09Å; D1240-D1242 WeakPolarHBondContact OD1-CB 3.47Å; D1240-D1242 PolarHBondContact OD1-N 2.87Å; D1242-K1245 IonicContact OD1-NZ 2.85Å; D1242-K1246 VanDerWaalsContact O-CD 3.25Å; D1242-K1246 WeakPolarHBondContact O-CD 3.47Å; D1242-K1246 WeakPolarHBondContact O-CG 3.36Å; D1242-K1246 PolarHBondContact O-N 3.18Å
1243	I	70.1	Confident	69.4	Low	18 Å²	18	80.7 Å²	80.7	9%	0.092	40%	0.404	C	S	.	.	H	α-helix	trans	-73.9	-49.2	172.1	-64	177.3	0	0	0	109.1	L905 V911 V997 D1240 K1245 K1246 V1247	L905-I1243 HydrophobicContact CD1-CG2 3.61Å; L905-I1243 HydrophobicContact CD2-CG2 3.98Å; L905-I1243 HydrophobicContact CG-CG2 4.48Å; V911-I1243 HydrophobicContact CG2-CG2 4.47Å; V997-I1243 HydrophobicContact CG2-CD1 4.41Å; D1240-I1243 HydrophobicContact CB-CB 4.35Å; D1240-I1243 HydrophobicContact CB-CD1 3.95Å; D1240-I1243 HydrophobicContact CB-CG1 3.94Å; D1240-I1243 WeakPolarHBondContact O-CA 3.41Å; D1240-I1243 WeakPolarHBondContact O-CB 3.29Å; D1240-I1243 PolarHBondContact O-N 3.06Å; I1243-K1245 PolarHBondContact O-N 2.76Å; I1243-K1246 WeakPolarHBondContact O-CB 3.43Å; I1243-K1246 PolarHBondContact O-N 3.13Å; I1243-V1247 PolarHBondContact O-N 2.62Å
1244	M	68.5	Low	67.3	Low	100 Å²	100	81.7 Å²	81.7	49%	0.493	41%	0.408	S	S	.	.	H	α-helix	trans	-58.8	-45.2	177.7	-68.9	-144.5	-94.2	0	0	112.4	V1239 D1240 K1246 V1247 E1248	V1239-M1244 HydrophobicContact CB-CE 4.45Å; V1239-M1244 HydrophobicContact CB-CG 4.43Å; V1239-M1244 HydrophobicContact CG1-CE 4.5Å; V1239-M1244 HydrophobicContact CG1-CG 3.52Å; V1239-M1244 HydrophobicContact CG1-SD 4.25Å; D1240-M1244 PolarHBondContact O-N 3.02Å; D1240-M1244 VanDerWaalsContact O-N 3.11Å; M1244-K1246 VanDerWaalsContact C-N 3.27Å; M1244-K1246 PolarHBondContact O-N 3.42Å; M1244-V1247 PolarHBondContact O-N 3.35Å; M1244-V1247 VanDerWaalsContact O-N 3.08Å; M1244-E1248 PolarHBondContact O-N 2.86Å
1245	K	67.2	Low	65	Low	130 Å²	130	81.7 Å²	81.7	57%	0.565	42%	0.415	S	S	*	.	H	α-helix	trans	-57.6	-36.1	174.2	-72.5	164.9	-162.1	160.3	0	113.2	A1241 D1242 I1243 G1249	A1241-K1245 WeakPolarHBondContact O-CB 3.43Å; A1241-K1245 WeakPolarHBondContact O-CD 3.5Å; A1241-K1245 WeakPolarHBondContact O-CG 3.26Å; A1241-K1245 PolarHBondContact O-N 2.81Å; D1242-K1245 IonicContact OD1-NZ 2.85Å; I1243-K1245 PolarHBondContact O-N 2.76Å; K1245-G1249 PolarHBondContact O-N 3.27Å
1246	K	65.5	Low	62.7	Low	137 Å²	137	87.4 Å²	87.4	60%	0.596	44%	0.438	S	S	*	.	H	α-helix	trans	-71.4	-34.1	176.3	-73.5	165.4	-171.1	166.5	0	112.2	D1242 I1243 M1244 N1250	D1242-K1246 VanDerWaalsContact O-CD 3.25Å; D1242-K1246 WeakPolarHBondContact O-CD 3.47Å; D1242-K1246 WeakPolarHBondContact O-CG 3.36Å; D1242-K1246 PolarHBondContact O-N 3.18Å; I1243-K1246 WeakPolarHBondContact O-CB 3.43Å; I1243-K1246 PolarHBondContact O-N 3.13Å; M1244-K1246 VanDerWaalsContact C-N 3.27Å; M1244-K1246 PolarHBondContact O-N 3.42Å; K1246-N1250 PolarHBondContact O-N 2.73Å; K1246-N1250 PolarHBondContact O-ND2 2.92Å
1247	V	64.3	Low	60.5	Low	16 Å²	16	86.1 Å²	86.1	10%	0.097	43%	0.431	C	S	.	.	H	α-helix	trans	-70.7	-49.3	174.3	176.4	0	0	0	0	110.4	L905 I1243 M1244 G1249 N1250 K1251	L905-V1247 HydrophobicContact CB-CG2 4.22Å; L905-V1247 HydrophobicContact CD1-CG2 4.08Å; I1243-V1247 PolarHBondContact O-N 2.62Å; M1244-V1247 PolarHBondContact O-N 3.35Å; M1244-V1247 VanDerWaalsContact O-N 3.08Å; V1247-G1249 VanDerWaalsContact C-N 3.34Å; V1247-G1249 PolarHBondContact O-N 2.84Å; V1247-N1250 PolarHBondContact O-N 3.33Å; V1247-N1250 VanDerWaalsContact O-N 3.14Å; V1247-K1251 PolarHBondContact O-N 2.64Å
1248	E	62.8	Low	58.3	Low	98 Å²	98	90.5 Å²	90.5	46%	0.458	45%	0.45	S	S	.	.	H	α-helix	trans	-56.7	-43.8	174.1	-78.3	-167.1	-157.1	0	0	113.1	M1244 N1250 K1251 K1252	M1244-E1248 PolarHBondContact O-N 2.86Å; E1248-N1250 PolarHBondContact O-N 2.88Å; E1248-K1251 PolarHBondContact O-N 2.74Å; E1248-K1252 WeakPolarHBondContact O-CB 3.42Å; E1248-K1252 WeakPolarHBondContact O-CG 3.25Å; E1248-K1252 PolarHBondContact O-N 3.33Å; E1248-K1252 IonicContact OE2-NZ 3.87Å; E1248-K1252 PolarHBondContact OE2-NZ 2.94Å
1249	G	59.5	Low	56.3	Low	36 Å²	36	91.6 Å²	91.6	37%	0.371	45%	0.452	S	S	.	.	H	α-helix	trans	-62.6	-27.8	179.6	0	0	0	0	0	113.2	K1245 V1247 K1253	K1245-G1249 PolarHBondContact O-N 3.27Å; V1247-G1249 VanDerWaalsContact C-N 3.34Å; V1247-G1249 PolarHBondContact O-N 2.84Å; G1249-K1253 PolarHBondContact O-N 3.06Å
1250	N	57.1	Low	54.3	Low	76 Å²	76	94.3 Å²	94.3	41%	0.406	47%	0.465	S	S	.	.	H	α-helix	trans	-81.1	-39.3	173.2	-71.7	-41.4	0	0	0	112.1	K1246 V1247 E1248 K1253 R1254	K1246-N1250 PolarHBondContact O-N 2.73Å; K1246-N1250 PolarHBondContact O-ND2 2.92Å; V1247-N1250 PolarHBondContact O-N 3.33Å; V1247-N1250 VanDerWaalsContact O-N 3.14Å; E1248-N1250 PolarHBondContact O-N 2.88Å; N1250-K1253 WeakPolarHBondContact O-CB 3.48Å; N1250-K1253 PolarHBondContact O-N 2.76Å; N1250-K1253 VanDerWaalsContact O-N 3.1Å; N1250-R1254 PolarHBondContact O-N 2.83Å
1251	K	55.1	Low	52.4	Low	90 Å²	90	99.3 Å²	99.3	39%	0.391	50%	0.499	S	S	.	.	H	α-helix	trans	-56.7	-51	170.1	-72.2	-179.2	175.3	175.5	0	110.7	S907 V1247 E1248 K1253 R1254 N1255	S907-K1251 WeakPolarHBondContact OG-CE 3.26Å; V1247-K1251 PolarHBondContact O-N 2.64Å; E1248-K1251 PolarHBondContact O-N 2.74Å; K1251-K1253 PolarHBondContact O-N 3.05Å; K1251-R1254 PolarHBondContact O-N 3.12Å; K1251-N1255 PolarHBondContact O-N 2.76Å; K1251-N1255 PolarHBondContact O-OD1 3.47Å
1252	K	51.1	Low	50.7	Low	138 Å²	138	103.9 Å²	103.9	60%	0.6	52%	0.516	S	S	*	.	H	α-helix	trans	-61.8	-13.4	175.8	-72	165.6	179.4	160	0	114.6	E1248	E1248-K1252 WeakPolarHBondContact O-CB 3.42Å; E1248-K1252 WeakPolarHBondContact O-CG 3.25Å; E1248-K1252 PolarHBondContact O-N 3.33Å; E1248-K1252 IonicContact OE2-NZ 3.87Å; E1248-K1252 PolarHBondContact OE2-NZ 2.94Å
1253	K	48.4	Very low	48.8	Very low	151 Å²	151	108.8 Å²	108.8	66%	0.657	54%	0.537	S	S	*	.	H	α-helix	trans	-84.6	-53.1	165.6	-85.8	-172.8	171	-171.9	0	111.8	G1249 N1250 K1251 N1255 K1256 T1257	G1249-K1253 PolarHBondContact O-N 3.06Å; N1250-K1253 WeakPolarHBondContact O-CB 3.48Å; N1250-K1253 PolarHBondContact O-N 2.76Å; N1250-K1253 VanDerWaalsContact O-N 3.1Å; K1251-K1253 PolarHBondContact O-N 3.05Å; K1253-N1255 PolarHBondContact O-N 2.68Å; K1253-K1256 PolarHBondContact O-N 3.36Å; K1253-T1257 PolarHBondContact O-N 3.23Å; K1253-T1257 VanDerWaalsContact O-N 3.13Å; K1253-T1257 PolarHBondContact O-OG1 2.79Å
1254	R	44.7	Very low	46.7	Very low	160 Å²	160	111.9 Å²	111.9	60%	0.604	57%	0.573	S	S	*	*	H	α-helix	trans	-52.9	-54.5	179.4	-105.9	-173.7	165.4	173.1	-6.5	111.9	N1250 K1251 K1256 T1257 E1258	N1250-R1254 PolarHBondContact O-N 2.83Å; K1251-R1254 PolarHBondContact O-N 3.12Å; R1254-K1256 PolarHBondContact O-N 2.8Å; R1254-T1257 WeakPolarHBondContact O-CB 3.47Å; R1254-T1257 PolarHBondContact O-N 3.02Å; R1254-E1258 WeakPolarHBondContact O-CG 3.42Å; R1254-E1258 PolarHBondContact O-N 3.05Å
1255	N	41.1	Very low	44.7	Very low	90 Å²	90	114.7 Å²	114.7	48%	0.481	59%	0.59	S	S	.	*	H	α-helix	trans	-61.6	-14.3	178.5	-64.8	98.6	0	0	0	114.6	K1251 K1253 E1258 N1259	K1251-N1255 PolarHBondContact O-N 2.76Å; K1251-N1255 PolarHBondContact O-OD1 3.47Å; K1253-N1255 PolarHBondContact O-N 2.68Å; N1255-E1258 VanDerWaalsContact CA-OE2 3.32Å; N1255-E1258 WeakPolarHBondContact CA-OE2 3.46Å; N1255-E1258 PolarHBondContact ND2-OE2 3.49Å; N1255-N1259 PolarHBondContact O-ND2 2.81Å
1256	K	37.8	Very low	42.8	Very low	162 Å²	162	115.9 Å²	115.9	70%	0.704	60%	0.598	S	S	*	*	H	α-helix	trans	-95	-20.3	175	-166.6	172.9	-178.8	-174.8	0	112.9	K1253 R1254	K1253-K1256 PolarHBondContact O-N 3.36Å; R1254-K1256 PolarHBondContact O-N 2.8Å
1257	T	39.1	Very low	41	Very low	95 Å²	95	115.5 Å²	115.5	58%	0.583	60%	0.602	S	S	*	*	H	α-helix	trans	-76.4	-42.5	167.7	-52.1	0	0	0	0	110.1	K1253 R1254 N1259 D1260	K1253-T1257 PolarHBondContact O-N 3.23Å; K1253-T1257 VanDerWaalsContact O-N 3.13Å; K1253-T1257 PolarHBondContact O-OG1 2.79Å; R1254-T1257 WeakPolarHBondContact O-CB 3.47Å; R1254-T1257 PolarHBondContact O-N 3.02Å; T1257-N1259 PolarHBondContact O-N 3.19Å; T1257-D1260 PolarHBondContact O-N 3.4Å
1258	E	37.4	Very low	39.3	Very low	106 Å²	106	120.1 Å²	120.1	50%	0.495	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.8	5	177.1	-64.8	159.7	-177.7	0	0	114.9	R1254 N1255	R1254-E1258 WeakPolarHBondContact O-CG 3.42Å; R1254-E1258 PolarHBondContact O-N 3.05Å; N1255-E1258 VanDerWaalsContact CA-OE2 3.32Å; N1255-E1258 WeakPolarHBondContact CA-OE2 3.46Å; N1255-E1258 PolarHBondContact ND2-OE2 3.49Å
1259	N	34	Very low	37.7	Very low	131 Å²	131	122.5 Å²	122.5	70%	0.701	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.6	12.5	-173.2	-84.2	-83.1	0	0	0	114.6	N1255 T1257	N1255-N1259 PolarHBondContact O-ND2 2.81Å; T1257-N1259 PolarHBondContact O-N 3.19Å
1260	D	30.9	Very low	36.1	Very low	99 Å²	99	125.8 Å²	125.8	53%	0.529	66%	0.659	S	S	.	*			trans	-120.5	102.2	174.8	-158	-31.9	0	0	0	110.6	T1257 N1262	T1257-D1260 PolarHBondContact O-N 3.4Å; D1260-N1262 PolarHBondContact O-N 2.67Å
1261	P	30	Very low	34.8	Very low	133 Å²	133	130.3 Å²	130.3	86%	0.864	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	24.3	-172	-23	35	0	0	0	117
1262	N	30.5	Very low	33.5	Very low	149 Å²	149	134.6 Å²	134.6	80%	0.797	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.8	2.2	-166.4	-125.1	-17.1	0	0	0	116.9	D1260	D1260-N1262 PolarHBondContact O-N 2.67Å
1263	E	29.9	Very low	32.5	Very low	169 Å²	169	132 Å²	132	79%	0.79	70%	0.701	S	S	*	*			trans	-115.2	77.2	169.1	-73.1	-158.9	148.2	0	0	111	N1265	E1263-N1265 PolarHBondContact O-N 2.91Å; E1263-N1265 VanDerWaalsContact O-N 3.08Å
1264	G	25.1	Very low	31.6	Very low	83 Å²	83	131.6 Å²	131.6	86%	0.856	71%	0.706	S	S	*	*			trans	-65	106.7	-178	0	0	0	0	0	113.3
1265	N	27.4	Very low	30.8	Very low	159 Å²	159	131.6 Å²	131.6	85%	0.85	72%	0.718	S	S	*	*			trans	-153.3	40.7	171.3	-141.5	-1.6	0	0	0	111.9	E1263	E1263-N1265 PolarHBondContact O-N 2.91Å; E1263-N1265 VanDerWaalsContact O-N 3.08Å
1266	E	26.7	Very low	30.4	Very low	156 Å²	156	136.2 Å²	136.2	73%	0.729	74%	0.737	S	S	*	*			trans	-98.6	108.7	179.3	-64.4	-176	143.6	0	0	110.6
1267	L	28.1	Very low	30	Very low	129 Å²	129	137.5 Å²	137.5	68%	0.675	75%	0.745	S	S	*	*			trans	-142.8	56.3	169.9	-81.3	178.6	0	0	0	109.3	N666	N666-L1267 WeakPolarHBondContact ND2-CD1 3.4Å
1268	D	29.5	Very low	29.5	Very low	113 Å²	113	141 Å²	141	60%	0.604	76%	0.761	S	S	*	*	S	Bend	trans	-157.3	68.1	-177.7	-156.7	33.2	0	0	0	109.6
1269	N	28.9	Very low	29.1	Very low	147 Å²	147	143.4 Å²	143.4	79%	0.786	78%	0.777	S	S	*	*	S	Bend	trans	168.6	-17.5	155.4	-89.1	-20.8	0	0	0	115.5	F1271	N1269-F1271 PolarHBondContact O-N 2.76Å
1270	S	25.9	Very low	28.9	Very low	106 Å²	106	140 Å²	140	74%	0.741	77%	0.773	S	S	*	*			trans	-78.9	85.8	-173.4	62.8	0	0	0	0	113.4
1271	F	28.4	Very low	28.8	Very low	171 Å²	171	142.8 Å²	142.8	75%	0.75	79%	0.788	S	S	*	*			trans	-146.4	47.8	172	-129.7	-79.3	0	0	0	112.7	N1269	N1269-F1271 PolarHBondContact O-N 2.76Å
1272	E	29.1	Very low	28.9	Very low	179 Å²	179	144.5 Å²	144.5	84%	0.836	79%	0.789	S	S	*	*			trans	-87	121.8	165.3	-68.8	175.6	156.3	0	0	108.7
1273	A	30.2	Very low	29.1	Very low	83 Å²	83	146 Å²	146	69%	0.686	79%	0.792	S	S	*	*			trans	-94.4	108	168.3	0	0	0	0	0	107.7	D1275	A1273-D1275 PolarHBondContact O-N 3.02Å
1274	N	28.5	Very low	29.3	Very low	143 Å²	143	143.9 Å²	143.9	77%	0.765	79%	0.792	S	S	*	*			trans	-88.7	88.6	177.2	-75	0.9	0	0	0	109.9	E1276	N1274-E1276 PolarHBondContact O-N 3.47Å
1275	D	27.8	Very low	29.8	Very low	160 Å²	160	147.7 Å²	147.7	86%	0.856	79%	0.785	S	S	*	*			trans	-86.3	80.8	164.1	-68.9	-46.2	0	0	0	109.6	A1273	A1273-D1275 PolarHBondContact O-N 3.02Å
1276	E	32.4	Very low	30.3	Very low	188 Å²	188	144.6 Å²	144.6	88%	0.879	77%	0.774	S	S	*	*			trans	-130.6	134.3	161.8	-79.2	-161.9	160.1	0	0	110.7	N1274	N1274-E1276 PolarHBondContact O-N 3.47Å
1277	E	29.4	Very low	30.7	Very low	188 Å²	188	143.5 Å²	143.5	88%	0.879	77%	0.772	S	S	*	*			trans	-78.5	127.5	-173.6	-54.6	176.5	124.2	0	0	112.1
1278	N	29.3	Very low	31.3	Very low	169 Å²	169	141.6 Å²	141.6	90%	0.904	78%	0.775	S	S	*	*			trans	-158.8	160.3	141.6	-120.6	-76.1	0	0	0	115.8
1279	D	30.1	Very low	32	Very low	157 Å²	157	143.4 Å²	143.4	84%	0.84	78%	0.78	S	S	*	*			trans	-78.7	158.7	-169.4	-173.2	16.7	0	0	0	113.9
1280	G	28.4	Very low	32.7	Very low	59 Å²	59	146.5 Å²	146.5	61%	0.608	78%	0.781	S	S	*	*			trans	124.1	82.5	160.8	0	0	0	0	0	118.8
1281	N	28.8	Very low	33	Very low	158 Å²	158	148.2 Å²	148.2	85%	0.845	78%	0.781	S	S	*	*			trans	20	110.7	149.5	-63.8	-46.8	0	0	0	120.6
1282	D	33.2	Very low	33.1	Very low	169 Å²	169	143.3 Å²	143.3	90%	0.904	78%	0.779	S	S	*	*				-167.2	148.4	125.4	-114.9	-18.4	0	0	0	112.3
1283	E	33.1	Very low	33.1	Very low	181 Å²	181	142.2 Å²	142.2	85%	0.846	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-77.3	132.1	-170	-67.1	-173.1	136.5	0	0	115.3	K1285	E1283-K1285 PolarHBondContact O-N 3.11Å
1284	P	34.6	Very low	33.2	Very low	123 Å²	123	143.5 Å²	143.5	80%	0.799	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-78	121.8	169.8	30.8	-32.8	0	0	0	112.1
1285	K	36.5	Very low	33.2	Very low	163 Å²	163	144.8 Å²	144.8	71%	0.709	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-64.7	151	-173.7	-69.6	170.8	-176.3	164.3	0	114.1	E1283	E1283-K1285 PolarHBondContact O-N 3.11Å
1286	P	37.1	Very low	33.3	Very low	94 Å²	94	146 Å²	146	61%	0.61	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-64	151.2	-168	-24.1	34.9	0	0	0	115.7	A1288 Q1289	P1286-A1288 PolarHBondContact O-N 3.14Å; P1286-Q1289 PolarHBondContact O-N 2.76Å
1287	L	35.7	Very low	33.1	Very low	133 Å²	133	142.6 Å²	142.6	70%	0.696	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-47.6	-33.4	-178	-161.3	72.6	0	0	0	114.5	Q1289 R1290	L1287-Q1289 PolarHBondContact O-N 3.3Å; L1287-Q1289 VanDerWaalsContact O-N 3.15Å; L1287-R1290 PolarHBondContact O-N 2.77Å
1288	A	40.8	Very low	33	Very low	89 Å²	89	140.6 Å²	140.6	74%	0.736	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-61.7	-17.6	178.6	0	0	0	0	0	114.8	P1286	P1286-A1288 PolarHBondContact O-N 3.14Å
1289	Q	44.8	Very low	33.2	Very low	151 Å²	151	140.7 Å²	140.7	71%	0.706	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-89.4	-10.6	173	-70.6	-171.2	-11.3	0	0	113.9	P1286 L1287	P1286-Q1289 PolarHBondContact O-N 2.76Å; L1287-Q1289 PolarHBondContact O-N 3.3Å; L1287-Q1289 VanDerWaalsContact O-N 3.15Å
1290	R	41.9	Very low	33.2	Very low	213 Å²	213	141.9 Å²	141.9	80%	0.804	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-12.8	175.9	-73.5	-176.7	171.6	173.9	-2.4	113.8	L1287	L1287-R1290 PolarHBondContact O-N 2.77Å
1291	L	32.7	Very low	33.5	Very low	142 Å²	142	148.2 Å²	148.2	74%	0.743	78%	0.784	S	S	*	*	S	Bend	trans	-125.6	80.7	-179.2	-70.7	169.4	0	0	0	110.7
1292	G	30.3	Very low	33.6	Very low	68 Å²	68	146.8 Å²	146.8	70%	0.701	78%	0.781	S	S	*	*			trans	-135.7	80.6	-172.1	0	0	0	0	0	114.5	S1294	G1292-S1294 PolarHBondContact O-N 3.18Å
1293	V	29.5	Very low	33.6	Very low	155 Å²	155	143.2 Å²	143.2	94%	0.939	78%	0.775	S	S	*	*			trans	-74.5	120.6	164.8	178.2	0	0	0	0	108.7
1294	S	31.9	Very low	33.7	Very low	110 Å²	110	140.8 Å²	140.8	77%	0.769	77%	0.773	S	S	*	*			trans	-146.6	134.6	169.3	66.5	0	0	0	0	112.7	G1292	G1292-S1294 PolarHBondContact O-N 3.18Å
1295	E	28.5	Very low	33.7	Very low	170 Å²	170	142.1 Å²	142.1	79%	0.794	78%	0.779	S	S	*	*			trans	-78.6	137.9	172.5	-51.1	171.8	115.9	0	0	110.5
1296	K	30.1	Very low	33.5	Very low	187 Å²	187	146.4 Å²	146.4	81%	0.813	79%	0.791	S	S	*	*				177.7	121.9	125.8	-94.4	145.6	-161.1	158.9	0	115.1
1297	T	28	Very low	33.4	Very low	115 Å²	115	145.3 Å²	145.3	71%	0.706	80%	0.797	S	S	*	*			trans	16.6	126.7	139.1	55.1	0	0	0	0	121.3
1298	D	28.3	Very low	33.3	Very low	147 Å²	147	151.6 Å²	151.6	79%	0.786	81%	0.811	S	S	*	*			trans	60.1	118.4	140.7	-62	-37	0	0	0	121.6
1299	I	32.7	Very low	33	Very low	170 Å²	170	150.8 Å²	150.8	87%	0.872	81%	0.811	S	S	*	*				-173.4	146.1	111.9	-95.2	156.5	0	0	0	111.1
1300	Q	30.2	Very low	32.6	Very low	182 Å²	182	154.3 Å²	154.3	85%	0.85	82%	0.824	S	S	*	*			trans	-95.6	146.2	177.7	-65.3	179.1	-16.6	0	0	113.5
1301	K	34.4	Very low	32.2	Very low	192 Å²	192	148 Å²	148	84%	0.835	83%	0.826	S	S	*	*			trans	-167.2	98.6	151.6	-103.6	161.5	-176.6	179.4	0	109.3
1302	T	31.6	Very low	32.2	Very low	129 Å²	129	152.3 Å²	152.3	79%	0.791	83%	0.832	S	S	*	*				91.3	106.9	75.3	53.1	0	0	0	0	115.2
1303	A	33.6	Very low	32.3	Very low	93 Å²	93	153.8 Å²	153.8	77%	0.769	83%	0.827	S	S	*	*			trans	-139.1	82.6	159.4	0	0	0	0	0	111.7
1304	T	34.1	Very low	32.6	Very low	131 Å²	131	152.7 Å²	152.7	80%	0.804	82%	0.821	S	S	*	*			trans	45.2	100.6	144.2	54.1	0	0	0	0	122.2
1305	T	35.2	Very low	32.8	Very low	151 Å²	151	152.2 Å²	152.2	93%	0.926	82%	0.815	S	S	*	*				-152.4	163	122.7	-4.2	0	0	0	0	110.9
1306	R	33.3	Very low	33	Very low	253 Å²	253	149.8 Å²	149.8	96%	0.955	81%	0.812	S	S	*	*			trans	-102.4	148.8	-167.5	-58.8	168.6	175.7	163.8	-3.2	111.3
1307	G	33.7	Very low	33.1	Very low	71 Å²	71	146 Å²	146	73%	0.732	81%	0.809	S	S	*	*			cis	165.8	173.7	-5.6	0	0	0	0	0	113.2
1308	R	33.7	Very low	33.3	Very low	264 Å²	264	152 Å²	152	100%	0.996	82%	0.819	S	S	*	*			trans	65.7	128.4	178.5	-74	177.9	161.3	172.5	-6.5	117.8
1309	G	34.7	Very low	33.7	Very low	72 Å²	72	150.2 Å²	150.2	74%	0.742	82%	0.815	S	S	*	*			cis	161.6	151.6	-18.7	0	0	0	0	0	117.7
1310	K	35.3	Very low	33.6	Very low	225 Å²	225	151 Å²	151	98%	0.978	81%	0.812	S	S	*	*			trans	77.6	130.5	162	-58.5	-174.5	175.4	-174.9	0	120.2
1311	G	33.5	Very low	33.7	Very low	81 Å²	81	149.9 Å²	149.9	84%	0.835	81%	0.811	S	S	*	*			trans	170.1	40.3	171.1	0	0	0	0	0	119.8
1312	R	34.6	Very low	33.7	Very low	233 Å²	233	146.2 Å²	146.2	88%	0.879	81%	0.807	S	S	*	*			trans	-53.3	163.1	-177.6	-78.9	177.5	72.4	174.9	3.7	117.6
1313	T	32.2	Very low	33.8	Very low	98 Å²	98	149.5 Å²	149.5	60%	0.601	81%	0.811	S	S	*	*			cis	173.5	131.9	-29.3	38.5	0	0	0	0	111.4
1314	V	34.3	Very low	34	Very low	132 Å²	132	151.3 Å²	151.3	80%	0.8	82%	0.815	S	S	*	*				58.4	151.7	124	170.4	0	0	0	0	120.3
1315	P	37	Very low	33.9	Very low	100 Å²	100	150.2 Å²	150.2	65%	0.649	81%	0.812	S	S	*	*			cis	-150.5	-160.7	-25.8	44.6	-22.8	0	0	0	118.6
1316	T	32.5	Very low	33.8	Very low	119 Å²	119	148.2 Å²	148.2	73%	0.73	80%	0.804	S	S	*	*			trans	89.5	104.9	142.5	44.6	0	0	0	0	126.5
1317	S	31.5	Very low	33.9	Very low	107 Å²	107	141 Å²	141	75%	0.748	79%	0.79	S	S	*	*				102.5	149.4	110.5	81.2	0	0	0	0	124.7
1318	R	33.3	Very low	33.8	Very low	241 Å²	241	144.6 Å²	144.6	91%	0.909	79%	0.793	S	S	*	*			trans	83.2	153.6	161.4	-73.9	-165.5	166.4	-156.6	-3.3	121.1
1319	P	35.4	Very low	33.9	Very low	111 Å²	111	139.1 Å²	139.1	72%	0.721	78%	0.783	S	S	*	*			trans	-142.7	-179.2	-143.6	44.9	-25.8	0	0	0	119.7
1320	K	30.6	Very low	33.6	Very low	186 Å²	186	140.5 Å²	140.5	81%	0.809	78%	0.782	S	S	*	*			trans	86.2	135.7	154.2	-80.1	-174.6	176.8	-179.6	0	122
1321	L	32.4	Very low	33.6	Very low	158 Å²	158	135.2 Å²	135.2	83%	0.827	77%	0.77	S	S	*	*			trans	72.7	157	154	-65.4	159.2	0	0	0	119
1322	P	34.2	Very low	33.5	Very low	116 Å²	116	139.2 Å²	139.2	75%	0.753	77%	0.771	S	S	*	*			cis	-132.4	-169.4	-31	38.2	-20.3	0	0	0	113.9
1323	K	34.8	Very low	33.1	Very low	198 Å²	198	137.6 Å²	137.6	86%	0.861	77%	0.77	S	S	*	*			trans	-75.8	163.9	176.3	-63.9	-179.9	178.5	178	0	114
1324	P	37.3	Very low	33.1	Very low	131 Å²	131	144.4 Å²	144.4	85%	0.851	79%	0.785	S	S	*	*				-130.1	-169.3	124.4	38.5	-29.7	0	0	0	114.8
1325	S	32.5	Very low	32.7	Very low	108 Å²	108	146.6 Å²	146.6	76%	0.755	78%	0.783	S	S	*	*			trans	-109	163.8	-152.5	53.4	0	0	0	0	118.4
1326	S	32.2	Very low	32.5	Very low	108 Å²	108	149.8 Å²	149.8	76%	0.755	80%	0.795	S	S	*	*			trans	-8.6	169.6	139.1	-44.1	0	0	0	0	119.7
1327	P	35.8	Very low	32.2	Very low	102 Å²	102	151.7 Å²	151.7	66%	0.662	80%	0.797	S	S	*	*			cis	-148.8	-165.1	22.9	43.6	-21.7	0	0	0	118.2
1328	N	32.7	Very low	32.1	Very low	147 Å²	147	150.5 Å²	150.5	79%	0.786	80%	0.802	S	S	*	*			trans	74.3	152.6	163.2	-59.7	-16.7	0	0	0	117.7
1329	N	34.3	Very low	31.9	Very low	149 Å²	149	142.3 Å²	142.3	80%	0.797	79%	0.793	S	S	*	*			cis	-139.2	-176.8	-4.3	-151.1	-14.8	0	0	0	112.2
1330	S	29.4	Very low	31.7	Very low	101 Å²	101	145.2 Å²	145.2	71%	0.706	80%	0.802	S	S	*	*			trans	-121.3	-155.7	-164.8	58	0	0	0	0	114.1
1331	P	35.1	Very low	31.5	Very low	114 Å²	114	140 Å²	140	74%	0.74	79%	0.794	S	S	*	*				-125.7	161	-103.3	39.2	-22.5	0	0	0	115.8
1332	I	31.8	Very low	31.4	Very low	164 Å²	164	142.8 Å²	142.8	84%	0.841	80%	0.799	S	S	*	*			trans	-122.9	124.2	171	-63.8	-177	0	0	0	112.2
1333	K	25.9	Very low	31	Very low	199 Å²	199	148.9 Å²	148.9	87%	0.865	81%	0.807	S	S	*	*			trans	-84.5	143.3	168.4	-59.6	164.3	-178.4	165.3	0	109.5
1334	R	31.2	Very low	30.7	Very low	241 Å²	241	149.7 Å²	149.7	91%	0.909	81%	0.811	S	S	*	*			trans	-129.5	118.7	144.6	-77.5	-166.5	167.7	178.1	-3.3	110.4
1335	K	26.2	Very low	30	Very low	178 Å²	178	154.9 Å²	154.9	77%	0.774	81%	0.813	S	S	*	*			trans	-67.4	157.9	161	-63.7	176.2	176.4	179.6	0	108
1336	N	32.5	Very low	29.7	Very low	167 Å²	167	155.2 Å²	155.2	89%	0.893	82%	0.816	S	S	*	*			trans	-132	154.5	136.6	-145.1	-4.1	0	0	0	109.2
1337	M	27.4	Very low	29.4	Very low	159 Å²	159	155.3 Å²	155.3	78%	0.783	82%	0.816	S	S	*	*			trans	-121	155.8	-170.5	-58.8	-160.1	-53.3	0	0	112.2
1338	G	30	Very low	28.9	Very low	82 Å²	82	158.6 Å²	158.6	85%	0.845	82%	0.816	S	S	*	*			trans	123.3	127.3	174.1	0	0	0	0	0	112.3
1339	G	28.8	Very low	28.5	Very low	69 Å²	69	159.8 Å²	159.8	71%	0.711	82%	0.818	S	S	*	*			cis	166.6	136.2	-10.7	0	0	0	0	0	112.9
1340	N	29.7	Very low	28.3	Very low	173 Å²	173	157.3 Å²	157.3	93%	0.925	81%	0.811	S	S	*	*			trans	60	165.1	170.2	-71.1	-14.1	0	0	0	118
1341	A	28	Very low	28.1	Very low	76 Å²	76	163.7 Å²	163.7	63%	0.628	82%	0.819	S	S	*	*			cis	-171.5	132.8	-41.3	0	0	0	0	0	109.5
1342	K	30.5	Very low	27.7	Very low	216 Å²	216	167.2 Å²	167.2	94%	0.939	83%	0.826	S	S	*	*				-177.9	148	129.5	-100.2	157.7	-175.1	177.4	0	111.6
1343	R	25.4	Very low	27.3	Very low	245 Å²	245	165.2 Å²	165.2	93%	0.925	83%	0.827	S	S	*	*			trans	-94.8	152	177.5	-64.8	166.7	166.1	167.5	-8.2	110.2
1344	K	27.6	Very low	27.2	Very low	214 Å²	214	159.5 Å²	159.5	93%	0.93	82%	0.824	S	S	*	*			trans	-147.6	143.3	132.1	-108.1	-177.9	179.7	-173.4	0	109.7
1345	R	24	Very low	26.9	Very low	240 Å²	240	153.9 Å²	153.9	91%	0.906	82%	0.821	S	S	*	*			trans	-101.2	153.3	174.2	-74.3	169.5	153.2	-178.6	-11.1	108.5
1346	S	25.3	Very low	26.9	Very low	116 Å²	116	152.1 Å²	152.1	81%	0.811	82%	0.821	S	S	*	*				167.2	150.9	123.2	54.5	0	0	0	0	113.3
1347	S	26.4	Very low	26.6	Very low	109 Å²	109	150.4 Å²	150.4	76%	0.762	82%	0.816	S	S	*	*			trans	68.4	131	163.5	-138.1	0	0	0	0	116.7
1348	R	24.8	Very low	26.6	Very low	172 Å²	172	146.5 Å²	146.5	65%	0.649	82%	0.817	S	S	*	*			cis	60.4	129.9	44.9	-68.4	178	168.5	158	-5.6	110.3	D1599	R1348-D1599 VanDerWaalsContact CZ-OXT 3.27Å; R1348-D1599 PolarHBondContact NH1-OXT 3.36Å; R1348-D1599 PolarHBondContact NH2-OXT 3Å
1349	M	25	Very low	26.5	Very low	171 Å²	171	150.6 Å²	150.6	84%	0.842	82%	0.82	S	S	*	*			cis	-154.4	-160.3	19.9	-128.3	-172.1	172.1	0	0	112.4
1350	P	29.5	Very low	26.3	Very low	98 Å²	98	153 Å²	153	64%	0.636	83%	0.826	S	S	*	*			trans	-133.8	-168.5	-140.5	44.9	-23.8	0	0	0	117.4
1351	W	24.3	Very low	26.3	Very low	235 Å²	235	149.6 Å²	149.6	89%	0.89	82%	0.821	S	S	*	*			trans	68.6	141.3	167.1	-78.3	13.2	0	0	0	115.2
1352	E	26.2	Very low	26.3	Very low	188 Å²	188	151.1 Å²	151.1	88%	0.879	83%	0.827	S	S	*	*				-146.4	-170.8	68.3	-100.3	172.6	177.2	0	0	114.9
1353	S	24.1	Very low	26.3	Very low	122 Å²	122	149.4 Å²	149.4	85%	0.853	82%	0.822	S	S	*	*			trans	-147.8	136.3	-178.2	-63.2	0	0	0	0	110.4
1354	G	24.4	Very low	26.4	Very low	79 Å²	79	141.3 Å²	141.3	81%	0.814	81%	0.808	S	S	*	*			trans	-165.9	143.4	178.3	0	0	0	0	0	111.4
1355	S	23.9	Very low	26.4	Very low	122 Å²	122	134.9 Å²	134.9	85%	0.853	79%	0.79	S	S	*	*			trans	-73.7	145.2	168	50.1	0	0	0	0	110.5
1356	D	26.8	Very low	26.6	Very low	141 Å²	141	130.3 Å²	130.3	75%	0.754	78%	0.782	S	S	*	*			trans	-141.6	144.6	145.1	-148.2	-11.6	0	0	0	112.5
1357	T	25.5	Very low	26.9	Very low	131 Å²	131	130.3 Å²	130.3	80%	0.804	77%	0.773	S	S	*	*			trans	-68.1	141.7	162	38.6	0	0	0	0	110
1358	G	27.5	Very low	27.1	Very low	77 Å²	77	129.5 Å²	129.5	79%	0.794	77%	0.767	S	S	*	*			trans	-156.6	120.3	-177.3	0	0	0	0	0	112.4
1359	D	28.8	Very low	27.4	Very low	169 Å²	169	129.4 Å²	129.4	90%	0.904	78%	0.78	S	S	*	*			trans	-82	164.1	-167	-125.8	-47.7	0	0	0	115.2	A1361	D1359-A1361 PolarHBondContact O-N 3.46Å
1360	S	24.5	Very low	27.8	Very low	120 Å²	120	128.1 Å²	128.1	84%	0.839	78%	0.776	S	S	*	*			trans	-92.1	89.4	-174.8	-66.4	0	0	0	0	113.4
1361	A	30.2	Very low	27.9	Very low	101 Å²	101	132.1 Å²	132.1	84%	0.835	79%	0.786	S	S	*	*			trans	-129.2	132.6	167.3	0	0	0	0	0	112.3	D1359	D1359-A1361 PolarHBondContact O-N 3.46Å
1362	S	26.4	Very low	28.3	Very low	108 Å²	108	131.6 Å²	131.6	76%	0.755	79%	0.786	S	S	*	*			trans	-95.3	136.9	-176.4	58	0	0	0	0	112.8
1363	H	30.6	Very low	28.4	Very low	179 Å²	179	128.4 Å²	128.4	83%	0.829	78%	0.779	S	S	*	*			trans	-160.3	149.5	134.4	-124.8	-94.3	0	0	0	113.8
1364	A	28.4	Very low	28.7	Very low	75 Å²	75	127.8 Å²	127.8	62%	0.62	77%	0.774	S	S	*	*			trans	-75.4	174.6	165	0	0	0	0	0	109.7
1365	S	28.1	Very low	29.1	Very low	80 Å²	80	129.3 Å²	129.3	56%	0.559	77%	0.77	S	S	*	*			cis	-163.3	166.3	21.5	52.3	0	0	0	0	111.5
1366	I	28.2	Very low	29.6	Very low	143 Å²	143	131.1 Å²	131.1	73%	0.733	77%	0.769	S	S	*	*			trans	52.7	120.3	151.5	-63	154.5	0	0	0	117.3
1367	D	31.2	Very low	29.9	Very low	116 Å²	116	129.3 Å²	129.3	62%	0.62	77%	0.767	S	S	*	*				-144.7	172.4	124.5	-137.4	-42.4	0	0	0	110.9
1368	S	30.3	Very low	30.2	Very low	93 Å²	93	127.2 Å²	127.2	65%	0.65	77%	0.771	S	S	*	*			trans	-131	109.4	-168	62	0	0	0	0	114.5	N1370	S1368-N1370 PolarHBondContact O-N 3.07Å
1369	D	31.4	Very low	30.3	Very low	170 Å²	170	127 Å²	127	91%	0.909	77%	0.768	S	S	*	*			trans	-72.4	114.8	163.9	-68.2	-48.2	0	0	0	110.8
1370	N	33.5	Very low	30.6	Very low	144 Å²	144	125 Å²	125	77%	0.77	77%	0.765	S	S	*	*			trans	-140	85.3	166.9	-158.9	38.7	0	0	0	109.3	S1368 Y1372	S1368-N1370 PolarHBondContact O-N 3.07Å; N1370-Y1372 PolarHBondContact O-N 2.87Å
1371	E	31	Very low	30.9	Very low	181 Å²	181	123.3 Å²	123.3	85%	0.846	76%	0.758	S	S	*	*			trans	-55.5	125.9	-179.3	-63	177.7	115.6	0	0	111.4
1372	Y	33.3	Very low	31.1	Very low	225 Å²	225	125.4 Å²	125.4	88%	0.882	76%	0.76	S	S	*	*			trans	-125.2	104.8	164.6	-129.4	-87.9	0	0	0	110.2	N1370	N1370-Y1372 PolarHBondContact O-N 2.87Å
1373	V	28.3	Very low	31.3	Very low	120 Å²	120	126 Å²	126	73%	0.727	76%	0.755	S	S	*	*			trans	-86.5	127.6	-178.8	175.7	0	0	0	0	110.3
1374	S	31.5	Very low	31.4	Very low	109 Å²	109	127.6 Å²	127.6	76%	0.762	75%	0.754	S	S	*	*			trans	-154.7	151	146.2	-83.1	0	0	0	0	111.1
1375	P	32.2	Very low	31.6	Very low	111 Å²	111	129.8 Å²	129.8	72%	0.721	76%	0.759	S	S	*	*			trans	-104.7	-163.5	-162.3	41.9	-36.2	0	0	0	113.6
1376	I	33.8	Very low	31.6	Very low	161 Å²	161	137 Å²	137	83%	0.826	77%	0.774	S	S	*	*			trans	103.2	135	175.6	-60.1	163.1	0	0	0	112.6
1377	S	32.7	Very low	31.8	Very low	103 Å²	103	140.4 Å²	140.4	72%	0.72	78%	0.778	S	S	*	*			cis	-168.9	136	-28.1	60.2	0	0	0	0	110.6
1378	G	32.5	Very low	31.9	Very low	87 Å²	87	141.9 Å²	141.9	90%	0.897	78%	0.781	S	S	*	*			trans	67.9	170.6	175.5	0	0	0	0	0	113.8
1379	G	30	Very low	31.9	Very low	71 Å²	71	147.6 Å²	147.6	73%	0.732	79%	0.794	S	S	*	*			cis	-165.2	149.6	-6.4	0	0	0	0	0	108.3
1380	P	35.3	Very low	31.9	Very low	129 Å²	129	144.6 Å²	144.6	84%	0.838	79%	0.793	S	S	*	*			trans	-105.8	162.5	-149.6	39.3	-35.8	0	0	0	115.5
1381	A	30.3	Very low	31.8	Very low	84 Å²	84	142.5 Å²	142.5	69%	0.694	80%	0.796	S	S	*	*				141	164	110.2	0	0	0	0	0	115.5
1382	V	34.3	Very low	31.7	Very low	145 Å²	145	138.8 Å²	138.8	88%	0.879	80%	0.796	S	S	*	*			trans	80.3	133.1	160.4	-168.7	0	0	0	0	117.4
1383	D	30.3	Very low	31.5	Very low	121 Å²	121	134.1 Å²	134.1	65%	0.647	79%	0.791	S	S	*	*			cis	-173.1	168.8	-28.9	-176.5	25.3	0	0	0	107.9
1384	R	32.6	Very low	31.5	Very low	212 Å²	212	137.1 Å²	137.1	80%	0.8	79%	0.794	S	S	*	*			trans	76.6	150.1	161.2	-50.4	-174.2	-179.8	-176.7	-3.4	117.8
1385	V	33.6	Very low	31.4	Very low	120 Å²	120	142.6 Å²	142.6	73%	0.727	80%	0.8	S	S	*	*			cis	-159.5	124.4	-13.8	127.7	0	0	0	0	105
1386	R	27.1	Very low	31.1	Very low	232 Å²	232	141.4 Å²	141.4	88%	0.875	79%	0.79	S	S	*	*				77.1	96	64.3	-166.4	-164.2	-158.7	-166.8	9.1	115.3
1387	R	32.7	Very low	30.9	Very low	215 Å²	215	143.3 Å²	143.3	81%	0.811	79%	0.793	S	S	*	*			trans	-159.1	118.1	150	-93.9	-159.1	144.3	115.8	7.3	109.2
1388	E	33.5	Very low	30.7	Very low	147 Å²	147	144.4 Å²	144.4	69%	0.687	79%	0.791	S	S	*	*				79.1	106.3	89.1	-74	169.6	-177.6	0	0	112.3
1389	K	29.3	Very low	30.5	Very low	212 Å²	212	147.1 Å²	147.1	92%	0.922	79%	0.785	S	S	*	*				92.1	91.5	53.9	-89.1	-162.2	168.2	-170.2	0	114.5
1390	A	32.4	Very low	30.5	Very low	107 Å²	107	150.8 Å²	150.8	88%	0.884	79%	0.788	S	S	*	*			trans	-178.7	147.6	148.8	0	0	0	0	0	108.4
1391	A	32.2	Very low	30.2	Very low	101 Å²	101	149.6 Å²	149.6	84%	0.835	78%	0.782	S	S	*	*			cis	-150.7	156.1	-19.6	0	0	0	0	0	108.2
1392	A	28.6	Very low	30.2	Very low	103 Å²	103	150.5 Å²	150.5	85%	0.851	78%	0.784	S	S	*	*			trans	-121.5	139.4	176.3	0	0	0	0	0	110.3
1393	T	29	Very low	30	Very low	127 Å²	127	148.1 Å²	148.1	78%	0.779	77%	0.773	S	S	*	*			trans	-131.3	122	176.7	-43.4	0	0	0	0	109.5
1394	K	28	Very low	30	Very low	183 Å²	183	150.5 Å²	150.5	80%	0.796	79%	0.786	S	S	*	*			trans	-70.9	136.7	168.9	-65.5	174.2	179.9	173.9	0	108.7	V1396	K1394-V1396 HydrophobicContact CB-CG2 4.15Å; K1394-V1396 PolarHBondContact O-N 3.05Å
1395	Y	28.3	Very low	29.8	Very low	224 Å²	224	149 Å²	149	88%	0.878	79%	0.788	S	S	*	*			trans	-80.8	103.6	156.3	-77.8	-84.3	0	0	0	108.6
1396	V	27.4	Very low	29.7	Very low	86 Å²	86	152 Å²	152	52%	0.521	80%	0.795	S	S	.	*			trans	-103	133	160.1	-170.8	0	0	0	0	106.1	K1394 D1398	K1394-V1396 HydrophobicContact CB-CG2 4.15Å; K1394-V1396 PolarHBondContact O-N 3.05Å; V1396-D1398 VanDerWaalsContact C-N 3.32Å; V1396-D1398 VanDerWaalsContact CG1-CG 3.46Å; V1396-D1398 WeakPolarHBondContact CG1-OD1 3.49Å; V1396-D1398 VanDerWaalsContact CG1-OD2 3.28Å; V1396-D1398 WeakPolarHBondContact CG1-OD2 3.23Å; V1396-D1398 PolarHBondContact O-N 2.75Å
1397	F	28	Very low	29.9	Very low	200 Å²	200	147.8 Å²	147.8	88%	0.877	79%	0.789	S	S	*	*			trans	-84.9	83.5	164.4	-84.6	-94.6	0	0	0	107.2
1398	D	28.7	Very low	29.8	Very low	127 Å²	127	145.4 Å²	145.4	68%	0.679	79%	0.793	S	S	*	*			trans	-89.9	116.5	166.4	-70.3	-43.8	0	0	0	107.8	V1396 D1400	V1396-D1398 VanDerWaalsContact C-N 3.32Å; V1396-D1398 VanDerWaalsContact CG1-CG 3.46Å; V1396-D1398 WeakPolarHBondContact CG1-OD1 3.49Å; V1396-D1398 VanDerWaalsContact CG1-OD2 3.28Å; V1396-D1398 WeakPolarHBondContact CG1-OD2 3.23Å; V1396-D1398 PolarHBondContact O-N 2.75Å; D1398-D1400 PolarHBondContact O-N 2.68Å
1399	D	28.4	Very low	29.6	Very low	143 Å²	143	147.3 Å²	147.3	77%	0.765	80%	0.801	S	S	*	*			trans	-92	64.9	-173.5	-173.9	14.9	0	0	0	111	S1401	D1399-S1401 PolarHBondContact O-N 3.17Å; D1399-S1401 PolarHBondContact OD1-OG 3.41Å
1400	D	29.7	Very low	29.7	Very low	148 Å²	148	148.1 Å²	148.1	79%	0.791	80%	0.799	S	S	*	*			trans	-98.5	66.2	176.5	-88.3	-38.8	0	0	0	111.1	D1398 S1402	D1398-D1400 PolarHBondContact O-N 2.68Å; D1400-S1402 PolarHBondContact O-N 3.49Å
1401	S	29.5	Very low	29.5	Very low	104 Å²	104	151.4 Å²	151.4	73%	0.727	80%	0.796	S	S	*	*			trans	-86.6	50.9	168.9	51	0	0	0	0	112	D1399 S1403	D1399-S1401 PolarHBondContact O-N 3.17Å; D1399-S1401 PolarHBondContact OD1-OG 3.41Å; S1401-S1403 PolarHBondContact O-N 2.91Å
1402	S	31	Very low	29.4	Very low	104 Å²	104	154 Å²	154	73%	0.727	79%	0.791	S	S	*	*			trans	-73.4	111.6	177.5	67.8	0	0	0	0	111.5	D1400	D1400-S1402 PolarHBondContact O-N 3.49Å
1403	S	30.2	Very low	29.3	Very low	94 Å²	94	155.8 Å²	155.8	66%	0.657	79%	0.786	S	S	*	*			trans	-30.5	131.6	172.2	55.6	0	0	0	0	116.3	S1401	S1401-S1403 PolarHBondContact O-N 2.91Å
1404	N	29.7	Very low	29.3	Very low	171 Å²	171	158.5 Å²	158.5	91%	0.914	79%	0.787	S	S	*	*			trans	-133.4	106.2	136.2	-97.5	-4.7	0	0	0	107
1405	E	29.1	Very low	29.1	Very low	180 Å²	180	158.7 Å²	158.7	84%	0.841	79%	0.788	S	S	*	*			trans	-84.3	125	166.2	-61	170.5	139.6	0	0	107
1406	E	31.8	Very low	29	Very low	185 Å²	185	154.3 Å²	154.3	86%	0.864	78%	0.784	S	S	*	*			trans	-167.2	100.7	159	-113.2	165.5	-142.5	0	0	109.4
1407	D	30.2	Very low	29	Very low	142 Å²	142	155 Å²	155	76%	0.759	79%	0.789	S	S	*	*			trans	30.7	129.4	150.8	-50.1	-20.1	0	0	0	121.1
1408	N	31.4	Very low	29.1	Very low	166 Å²	166	151.5 Å²	151.5	89%	0.888	78%	0.779	S	S	*	*				-164.2	132.8	105.7	-108.5	-91.8	0	0	0	111.5
1409	E	27.8	Very low	29.2	Very low	186 Å²	186	148.4 Å²	148.4	87%	0.869	76%	0.76	S	S	*	*			trans	-83.5	131.7	-177.2	-58.5	174.3	138.5	0	0	111.9
1410	R	31.5	Very low	29.2	Very low	230 Å²	230	143.8 Å²	143.8	87%	0.868	75%	0.746	S	S	*	*			trans	-147	99.8	156.6	-73.1	-161.3	177.1	-159.4	-3.5	110.8
1411	E	28.1	Very low	29.3	Very low	175 Å²	175	138.3 Å²	138.3	82%	0.818	72%	0.716	S	S	*	*			trans	-79.6	116	165.7	-65	-169.7	148.1	0	0	110.2
1412	E	31.2	Very low	29.2	Very low	157 Å²	157	134.7 Å²	134.7	73%	0.734	70%	0.695	S	S	*	*			trans	-106.6	111.1	161.8	-76.5	-177	-166.8	0	0	109.2	F1414	E1412-F1414 PolarHBondContact O-N 3.32Å
1413	N	27.3	Very low	29.2	Very low	139 Å²	139	134 Å²	134	74%	0.743	68%	0.683	S	S	*	*			trans	-75.9	77.5	-171.4	-97.9	-83.4	0	0	0	112.6	K1415	N1413-K1415 PolarHBondContact O-N 2.82Å
1414	F	27.5	Very low	29.6	Very low	185 Å²	185	131 Å²	131	81%	0.811	66%	0.658	S	S	*	*			trans	-79.1	99	172.8	-110.3	-86.1	0	0	0	112.2	E1412 V1416	E1412-F1414 PolarHBondContact O-N 3.32Å; F1414-V1416 PolarHBondContact O-N 3Å
1415	K	23.6	Very low	30.1	Very low	187 Å²	187	130.1 Å²	130.1	81%	0.813	65%	0.649	S	S	*	*			trans	-75	100.4	166.6	-78	-174.4	175.8	179.5	0	110.3	N1413	N1413-K1415 PolarHBondContact O-N 2.82Å
1416	V	27	Very low	30.5	Very low	131 Å²	131	122.5 Å²	122.5	79%	0.794	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-70.2	126.2	162.8	-178.1	0	0	0	0	108.3	F1414	F1414-V1416 PolarHBondContact O-N 3Å
1417	V	26.9	Very low	31.1	Very low	102 Å²	102	119.8 Å²	119.8	62%	0.618	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-86.6	124.4	168.2	179.2	0	0	0	0	107.8
1418	D	29.9	Very low	32	Very low	125 Å²	125	114 Å²	114	67%	0.668	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-81.9	133.4	-179.8	-168.2	9.8	0	0	0	110.3
1419	H	31.6	Very low	32.5	Very low	62 Å²	62	108.9 Å²	108.9	29%	0.287	55%	0.549	S	S	.	.			trans	-132.4	90.8	179.1	-78.6	-69.3	0	0	0	106.7	Y833 D1098 Q1421	Y833-H1419 PolarHBondContact OH-O 2.79Å; D1098-H1419 VanDerWaalsContact CG-ND1 3.29Å; D1098-H1419 IonicContact OD1-CE1 3.84Å; D1098-H1419 IonicContact OD1-CG 2.84Å; D1098-H1419 IonicContact OD1-ND1 2.77Å; D1098-H1419 PolarHBondContact OD1-ND1 3.18Å; D1098-H1419 IonicContact OD2-CE1 2.58Å; D1098-H1419 PolarHBondContact OD2-CE1 2.67Å; D1098-H1419 IonicContact OD2-ND1 3.25Å; D1098-H1419 PolarHBondContact OD2-ND1 3.43Å; H1419-Q1421 PolarHBondContact O-N 2.97Å
1420	G	28.6	Very low	33	Very low	46 Å²	46	107.6 Å²	107.6	47%	0.474	55%	0.547	S	S	.	.			trans	-75.6	100.8	-170.6	0	0	0	0	0	111.9
1421	Q	31.3	Very low	33.3	Very low	34 Å²	34	100.8 Å²	100.8	16%	0.159	53%	0.531	C	S	.	.			trans	-136.6	138.3	170.4	-57	-165.5	-23.2	0	0	109.1	Y833 I1097 A1101 H1419	Y833-Q1421 WeakPolarHBondContact CE2-O 3.37Å; I1097-Q1421 PolarHBondContact O-NE2 3.5Å; A1101-Q1421 HydrophobicContact CB-CB 4.3Å; A1101-Q1421 HydrophobicContact CB-CG 3.63Å; H1419-Q1421 PolarHBondContact O-N 2.97Å
1422	G	27.9	Very low	33.4	Very low	27 Å²	27	97.4 Å²	97.4	28%	0.278	53%	0.526	S	S	.	.			trans	-147.5	133.5	171.2	0	0	0	0	0	110.9	K1424	G1422-K1424 WeakPolarHBondContact O-CG 3.38Å; G1422-K1424 PolarHBondContact O-N 3.18Å; G1422-K1424 PolarHBondContact O-NZ 3.34Å
1423	N	29.9	Very low	33.4	Very low	90 Å²	90	98.6 Å²	98.6	48%	0.481	53%	0.532	S	S	.	.	S	Bend	trans	44.8	60.2	171.6	-75.3	-0.4	0	0	0	115.5	N830	N830-N1423 PolarHBondContact ND2-OD1 3.1Å; N830-N1423 WeakPolarHBondContact OD1-CA 3.49Å; N830-N1423 PolarHBondContact OD1-N 2.83Å
1424	K	39.3	Very low	33.5	Very low	32 Å²	32	99.1 Å²	99.1	14%	0.139	53%	0.533	C	S	.	.			trans	-136.8	146.5	176.9	-69.9	179.3	-166.9	82.3	0	113.8	A1101 Q1104 E1105 G1422 I1426	A1101-K1424 VanDerWaalsContact O-CD 3.25Å; A1101-K1424 WeakPolarHBondContact O-CD 3.06Å; A1101-K1424 WeakPolarHBondContact O-CE 3.25Å; A1101-K1424 PolarHBondContact O-NZ 2.86Å; Q1104-K1424 HydrophobicContact CB-CD 3.7Å; E1105-K1424 IonicContact OE1-NZ 2.67Å; E1105-K1424 PolarHBondContact OE1-NZ 2.84Å; G1422-K1424 WeakPolarHBondContact O-CG 3.38Å; G1422-K1424 PolarHBondContact O-N 3.18Å; G1422-K1424 PolarHBondContact O-NZ 3.34Å; K1424-I1426 PolarHBondContact O-N 2.59Å
1425	E	39.3	Very low	33.4	Very low	152 Å²	152	98.6 Å²	98.6	71%	0.71	53%	0.533	S	S	*	.			trans	-76.3	107.8	156.7	-60.1	-162.3	90.4	0	0	108.2	K1035 Q1104 D1427	K1035-E1425 IonicContact NZ-OE1 2.67Å; Q1104-E1425 PolarHBondContact NE2-O 3.02Å; Q1104-E1425 PolarHBondContact OE1-O 2.84Å; E1425-D1427 PolarHBondContact O-N 3.42Å
1426	I	39.2	Very low	33.6	Very low	20 Å²	20	96 Å²	96	10%	0.103	53%	0.528	C	S	.	.			trans	-69.6	102.2	-179.7	-52.8	171.4	0	0	0	109	K1424 I1428	K1424-I1426 PolarHBondContact O-N 2.59Å; I1426-I1428 HydrophobicContact CG2-CG1 3.96Å; I1426-I1428 PolarHBondContact O-N 3.45Å
1427	D	43.5	Very low	33.7	Very low	128 Å²	128	96.5 Å²	96.5	68%	0.684	53%	0.532	S	S	*	.			trans	-74.2	100.3	163.1	-96.5	-30.9	0	0	0	108.5	E1425	E1425-D1427 PolarHBondContact O-N 3.42Å
1428	I	48.1	Very low	33.8	Very low	21 Å²	21	99.8 Å²	99.8	11%	0.108	54%	0.537	C	S	.	.	P	Polyproline II helix	trans	-74.1	123	178.7	-53	168	0	0	0	107.6	L828 K1035 V1038 W1093 I1426 I1430	L828-I1428 HydrophobicContact CD2-CD1 4.21Å; K1035-I1428 HydrophobicContact CB-CD1 4.49Å; K1035-I1428 WeakPolarHBondContact O-CD1 3.3Å; V1038-I1428 HydrophobicContact CB-CD1 4.2Å; V1038-I1428 HydrophobicContact CG1-CB 3.9Å; V1038-I1428 HydrophobicContact CG1-CD1 4.32Å; V1038-I1428 HydrophobicContact CG1-CG2 3.69Å; W1093-I1428 HydrophobicContact CH2-CG2 3.7Å; W1093-I1428 HydrophobicContact CZ2-CG2 3.86Å; I1426-I1428 HydrophobicContact CG2-CG1 3.96Å; I1426-I1428 PolarHBondContact O-N 3.45Å; I1428-I1430 PolarHBondContact O-N 2.7Å; I1428-I1430 VanDerWaalsContact O-N 3.12Å
1429	P	42	Very low	33.8	Very low	58 Å²	58	99.7 Å²	99.7	38%	0.377	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-62.1	118.7	-173.7	22.8	-33.3	0	0	0	111.5	W1093 V1431	W1093-P1429 HydrophobicContact CH2-CG 4.29Å; W1093-P1429 HydrophobicContact CZ3-CG 4.09Å; P1429-V1431 PolarHBondContact O-N 2.65Å
1430	I	39.3	Very low	33.8	Very low	159 Å²	159	101.8 Å²	101.8	82%	0.815	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-58.5	121.7	178.5	-60.8	173.8	0	0	0	109.2	I1428 S1432	I1428-I1430 PolarHBondContact O-N 2.7Å; I1428-I1430 VanDerWaalsContact O-N 3.12Å; I1430-S1432 PolarHBondContact O-N 3.06Å
1431	V	38.7	Very low	34	Very low	87 Å²	87	107.4 Å²	107.4	53%	0.527	59%	0.586	S	S	.	*			trans	-68.1	106.2	174.6	-179.3	0	0	0	0	108.5	P1429 E1433	P1429-V1431 PolarHBondContact O-N 2.65Å; V1431-E1433 PolarHBondContact O-N 3.49Å
1432	S	30.2	Very low	34	Very low	103 Å²	103	111 Å²	111	72%	0.72	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-52.2	132.9	176.1	58.4	0	0	0	0	111.1	I1430 I1434	I1430-S1432 PolarHBondContact O-N 3.06Å; S1432-I1434 PolarHBondContact O-N 3.43Å
1433	E	30.8	Very low	34.4	Very low	183 Å²	183	115.3 Å²	115.3	86%	0.855	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-50.3	133.8	-172.6	-63	-177.3	127.3	0	0	113.2	V1431 Q1435	V1431-E1433 PolarHBondContact O-N 3.49Å; E1433-Q1435 PolarHBondContact O-N 3.2Å
1434	I	28.6	Very low	34.7	Very low	149 Å²	149	115.8 Å²	115.8	76%	0.764	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-65.3	120.3	163.8	-63.3	174.6	0	0	0	106.6	S1432 D1436	S1432-I1434 PolarHBondContact O-N 3.43Å; I1434-D1436 PolarHBondContact O-N 3.41Å
1435	Q	24.9	Very low	34.4	Very low	175 Å²	175	119 Å²	119	82%	0.818	68%	0.675	S	S	*	*			trans	-65.6	105.4	176.6	-70.7	-174.6	-14.3	0	0	110	E1433 T1437	E1433-Q1435 PolarHBondContact O-N 3.2Å; Q1435-T1437 PolarHBondContact O-N 2.77Å
1436	D	29.5	Very low	34.3	Very low	133 Å²	133	117.7 Å²	117.7	71%	0.711	68%	0.682	S	S	*	*			trans	-52	107.6	169.7	-101.3	-14.4	0	0	0	110	I1434 K1438	I1434-D1436 PolarHBondContact O-N 3.41Å; D1436-K1438 PolarHBondContact O-N 2.97Å
1437	T	28	Very low	34	Very low	141 Å²	141	120.4 Å²	120.4	87%	0.865	72%	0.716	S	S	*	*			trans	-74.3	72.7	177.2	54.4	0	0	0	0	110.4	Q1435 S1439	Q1435-T1437 PolarHBondContact O-N 2.77Å; T1437-S1439 PolarHBondContact O-N 2.9Å; T1437-S1439 VanDerWaalsContact O-N 3.14Å
1438	K	30	Very low	33.5	Very low	170 Å²	170	118.6 Å²	118.6	74%	0.739	73%	0.727	S	S	*	*			trans	-60.9	112.7	178.2	-79	174.7	179.1	165.8	0	110.9	D1436 S1440	D1436-K1438 PolarHBondContact O-N 2.97Å; K1438-S1440 PolarHBondContact O-N 3.31Å
1439	S	28.4	Very low	32.8	Very low	124 Å²	124	121 Å²	121	87%	0.867	76%	0.757	S	S	*	*			trans	-69.2	108.5	163.6	56.1	0	0	0	0	109.8	T1437	T1437-S1439 PolarHBondContact O-N 2.9Å; T1437-S1439 VanDerWaalsContact O-N 3.14Å
1440	S	32.1	Very low	32.6	Very low	106 Å²	106	124.8 Å²	124.8	74%	0.741	78%	0.779	S	S	*	*			trans	-133.2	142.5	174.4	58.3	0	0	0	0	112.3	K1438	K1438-S1440 PolarHBondContact O-N 3.31Å
1441	I	32.4	Very low	32.4	Very low	164 Å²	164	121.8 Å²	121.8	84%	0.841	77%	0.772	S	S	*	*			trans	-81.9	143.1	-171.3	-64.2	164.2	0	0	0	109.5
1442	P	32.1	Very low	32.4	Very low	110 Å²	110	124.5 Å²	124.5	71%	0.714	79%	0.789	S	S	*	*			trans	-81.4	172.9	-173.2	32.8	-37.7	0	0	0	114.8
1443	S	36.2	Very low	32.6	Very low	116 Å²	116	128.7 Å²	128.7	81%	0.811	79%	0.794	S	S	*	*			trans	88.1	140.3	-180	76.9	0	0	0	0	116.2
1444	S	35.4	Very low	32.6	Very low	101 Å²	101	126.4 Å²	126.4	71%	0.706	79%	0.793	S	S	*	*			cis	-164.6	165.2	-16.7	48.2	0	0	0	0	112.8
1445	S	34.5	Very low	32.9	Very low	100 Å²	100	127 Å²	127	70%	0.699	80%	0.797	S	S	*	*			trans	66.1	119.3	153.8	55.4	0	0	0	0	122.4
1446	S	35.7	Very low	33.2	Very low	123 Å²	123	124.1 Å²	124.1	86%	0.86	80%	0.797	S	S	*	*			trans	61.5	140.1	142.9	56.2	0	0	0	0	121.9
1447	G	33	Very low	33.4	Very low	78 Å²	78	121.6 Å²	121.6	80%	0.804	80%	0.802	S	S	*	*			cis	163.7	147.7	-9.3	0	0	0	0	0	115.9
1448	G	33	Very low	33.5	Very low	90 Å²	90	120.1 Å²	120.1	93%	0.928	80%	0.797	S	S	*	*			trans	85.4	145.8	177.2	0	0	0	0	0	114.8
1449	G	34.9	Very low	33.7	Very low	72 Å²	72	117.9 Å²	117.9	74%	0.742	80%	0.798	S	S	*	*			cis	171.9	-179.8	-0.3	0	0	0	0	0	109.9
1450	V	37.9	Very low	33.8	Very low	137 Å²	137	116.7 Å²	116.7	83%	0.83	79%	0.79	S	S	*	*			cis	-152.6	104.6	-2.2	-177.6	0	0	0	0	111.6
1451	S	35	Very low	33.7	Very low	96 Å²	96	123.5 Å²	123.5	67%	0.671	80%	0.799	S	S	*	*			trans	25.2	137.1	146.3	75.2	0	0	0	0	125.5
1452	V	37	Very low	33.7	Very low	144 Å²	144	119.5 Å²	119.5	87%	0.873	80%	0.798	S	S	*	*				-147.5	107.1	125.9	-177	0	0	0	0	106.5
1453	K	35.3	Very low	33.7	Very low	191 Å²	191	118.9 Å²	118.9	83%	0.83	80%	0.802	S	S	*	*				74.9	115.9	76	-88.9	-162.8	171.2	-167.8	0	116.9
1454	T	30.8	Very low	33.5	Very low	135 Å²	135	119 Å²	119	83%	0.828	80%	0.803	S	S	*	*			trans	-87.5	165.8	166.3	48.1	0	0	0	0	111.8
1455	D	35.1	Very low	33.3	Very low	161 Å²	161	118.2 Å²	118.2	86%	0.861	80%	0.803	S	S	*	*			trans	-154.9	172.5	141.2	-137.1	-35	0	0	0	112.7
1456	S	30.6	Very low	33.2	Very low	115 Å²	115	121 Å²	121	80%	0.804	81%	0.808	S	S	*	*			trans	-127.1	157.2	-168.1	63.4	0	0	0	0	114
1457	G	33.4	Very low	33.2	Very low	80 Å²	80	121 Å²	121	83%	0.825	80%	0.803	S	S	*	*			trans	-162.1	160.2	-178.2	0	0	0	0	0	113
1458	S	30.5	Very low	33.2	Very low	110 Å²	110	122.7 Å²	122.7	77%	0.769	80%	0.803	S	S	*	*			trans	-146	-176.5	-163.5	71.3	0	0	0	0	115.7
1459	T	34.2	Very low	33.3	Very low	122 Å²	122	122.2 Å²	122.2	75%	0.748	80%	0.798	S	S	*	*			trans	71.1	90.5	162.2	50.6	0	0	0	0	121.3
1460	S	30.3	Very low	33.2	Very low	99 Å²	99	131.3 Å²	131.3	69%	0.692	81%	0.809	S	S	*	*				43.5	139.7	114.5	72.1	0	0	0	0	124.4
1461	R	30.5	Very low	33	Very low	250 Å²	250	128.1 Å²	128.1	94%	0.943	80%	0.804	S	S	*	*			trans	94.4	123.7	148.1	-75.4	-179.6	167.7	176.1	-2.8	121.1
1462	G	31.7	Very low	33	Very low	79 Å²	79	136.1 Å²	136.1	81%	0.814	82%	0.82	S	S	*	*			trans	104	155.6	151.8	0	0	0	0	0	116.1
1463	A	33.3	Very low	32.8	Very low	98 Å²	98	132.5 Å²	132.5	81%	0.81	81%	0.811	S	S	*	*			cis	-166.9	140.1	-24.3	0	0	0	0	0	111.2
1464	S	31	Very low	32.7	Very low	117 Å²	117	136 Å²	136	82%	0.818	82%	0.819	S	S	*	*			trans	31.5	108	152	-57.7	0	0	0	0	124.1
1465	A	31.9	Very low	32.7	Very low	86 Å²	86	133.6 Å²	133.6	71%	0.711	82%	0.822	S	S	*	*				84.9	146.8	105.1	0	0	0	0	0	124.5
1466	I	32.6	Very low	32.6	Very low	158 Å²	158	129.1 Å²	129.1	81%	0.81	81%	0.814	S	S	*	*			trans	75.2	131.2	163.2	-51.1	149	0	0	0	113.5
1467	V	36.2	Very low	32.6	Very low	122 Å²	122	134.4 Å²	134.4	74%	0.739	82%	0.823	S	S	*	*				-151.8	118	61.8	172.3	0	0	0	0	109.7
1468	S	32.8	Very low	32.5	Very low	115 Å²	115	133.9 Å²	133.9	80%	0.804	82%	0.817	S	S	*	*				68.2	121.5	93.4	127.2	0	0	0	0	118.8
1469	G	34.7	Very low	32.5	Very low	80 Å²	80	139.6 Å²	139.6	83%	0.825	82%	0.822	S	S	*	*			trans	-166.3	127	169.5	0	0	0	0	0	113.8
1470	R	33.2	Very low	32.3	Very low	262 Å²	262	139.9 Å²	139.9	99%	0.989	81%	0.814	S	S	*	*			trans	-83	158.3	-173.1	-61.9	160.3	168.2	163.3	-6.1	112.8
1471	G	33.7	Very low	32.5	Very low	70 Å²	70	143.9 Å²	143.9	72%	0.722	82%	0.82	S	S	*	*			cis	139.9	166.6	-6.8	0	0	0	0	0	115.1
1472	R	33.3	Very low	32.6	Very low	264 Å²	264	136.6 Å²	136.6	100%	0.996	81%	0.807	S	S	*	*			trans	68.5	142.4	170.7	-64.5	176.8	164.1	178.2	-5.1	118.6
1473	G	33.2	Very low	32.6	Very low	68 Å²	68	137.3 Å²	137.3	70%	0.701	81%	0.805	S	S	*	*			cis	153.5	172.5	-10.2	0	0	0	0	0	115.6
1474	R	33.2	Very low	33.1	Very low	264 Å²	264	138.6 Å²	138.6	100%	0.996	81%	0.805	S	S	*	*			trans	71.3	143.6	-177.6	-59.2	172.6	160.3	174.9	-7.9	114.6
1475	G	32	Very low	33.7	Very low	86 Å²	86	137.3 Å²	137.3	89%	0.887	79%	0.794	S	S	*	*			cis	140.7	151.9	-1.3	0	0	0	0	0	110.7
1476	G	32	Very low	33.8	Very low	67 Å²	67	142.6 Å²	142.6	69%	0.691	80%	0.801	S	S	*	*			cis	161.3	166.8	-3.4	0	0	0	0	0	111.4
1477	K	31.4	Very low	33.9	Very low	226 Å²	226	139.9 Å²	139.9	98%	0.983	80%	0.796	S	S	*	*			trans	72.4	142	-178.6	-47.3	170.4	-177.9	176.9	0	115.2
1478	G	31.7	Very low	33.7	Very low	69 Å²	69	143.3 Å²	143.3	71%	0.711	80%	0.804	S	S	*	*			cis	144.3	164.4	-11.6	0	0	0	0	0	114.2
1479	R	30.1	Very low	34	Very low	230 Å²	230	143 Å²	143	87%	0.868	80%	0.8	S	S	*	*			trans	69.7	159.4	169.9	-70	-170.7	159.4	165.1	-2.7	117.4
1480	Q	30.5	Very low	33.8	Very low	127 Å²	127	143.9 Å²	143.9	59%	0.593	79%	0.793	S	S	*	*			cis	-172.3	173.6	-32.6	-110	178.1	-53.5	0	0	107
1481	F	32.7	Very low	33.9	Very low	183 Å²	183	138 Å²	138	80%	0.803	78%	0.78	S	S	*	*			trans	71.7	148.1	168.8	-57.6	-84.3	0	0	0	117.2
1482	S	33.4	Very low	33.9	Very low	98 Å²	98	143.2 Å²	143.2	69%	0.685	78%	0.783	S	S	*	*			cis	-170.8	137.5	-24.4	49.9	0	0	0	0	112.8
1483	A	31.8	Very low	33.7	Very low	93 Å²	93	135.6 Å²	135.6	77%	0.769	77%	0.77	S	S	*	*			trans	48.4	147.5	143.6	0	0	0	0	0	122.6
1484	P	44.8	Very low	33.8	Very low	125 Å²	125	140.7 Å²	140.7	81%	0.812	78%	0.778	S	S	*	*			trans	-89.5	-115.8	168.1	35.9	-27.3	0	0	0	110.9
1485	P	42	Very low	33.6	Very low	90 Å²	90	137.5 Å²	137.5	58%	0.584	77%	0.771	S	S	*	*			cis	-136.5	156.3	2.6	42.8	-24.1	0	0	0	117.9
1486	K	33.7	Very low	33.8	Very low	198 Å²	198	138.6 Å²	138.6	86%	0.861	76%	0.763	S	S	*	*			trans	71.7	163.1	155.9	-58.7	151.4	-174	177.6	0	115.8
1487	S	35.9	Very low	33.7	Very low	101 Å²	101	140 Å²	140	71%	0.706	76%	0.762	S	S	*	*			cis	-156.3	129.4	24.3	55.1	0	0	0	0	116.9
1488	Q	32.8	Very low	33.7	Very low	193 Å²	193	136 Å²	136	90%	0.902	75%	0.747	S	S	*	*			trans	63.1	161.2	133.1	-72.6	-174.8	-39.4	0	0	123.1
1489	P	38	Very low	33.7	Very low	109 Å²	109	140.5 Å²	140.5	71%	0.708	75%	0.747	S	S	*	*			trans	-130.3	-170.6	-158	42.5	-24.9	0	0	0	114.9
1490	S	31.5	Very low	33.8	Very low	99 Å²	99	138.6 Å²	138.6	69%	0.692	75%	0.745	S	S	*	*				150.1	172.1	116	65.8	0	0	0	0	115.9
1491	I	33.9	Very low	33.8	Very low	137 Å²	137	139.4 Å²	139.4	70%	0.703	76%	0.759	S	S	*	*			trans	88.3	96	155.1	-67.4	165.4	0	0	0	120.1
1492	K	33.3	Very low	33.8	Very low	180 Å²	180	136.9 Å²	136.9	78%	0.783	76%	0.758	S	S	*	*				63.5	114.2	124.4	-59.2	-175.4	-175.9	179.1	0	123.7
1493	S	30.8	Very low	33.7	Very low	105 Å²	105	138.5 Å²	138.5	73%	0.734	76%	0.764	S	S	*	*				84.6	147.9	111.7	76.2	0	0	0	0	124.6
1494	M	33.6	Very low	33.8	Very low	175 Å²	175	141.4 Å²	141.4	86%	0.862	77%	0.766	S	S	*	*			trans	95.5	110.4	152.1	-75.6	176.1	164.4	0	0	121.9
1495	F	29.1	Very low	33.2	Very low	196 Å²	196	143.3 Å²	143.3	86%	0.86	77%	0.768	S	S	*	*			trans	-23.1	173.1	142.1	-63.7	-82	0	0	0	119
1496	P	36.5	Very low	33	Very low	110 Å²	110	142.8 Å²	142.8	71%	0.714	77%	0.767	S	S	*	*			cis	-143	-174.8	-31.8	36.4	-17.1	0	0	0	115.7
1497	S	29.7	Very low	33	Very low	96 Å²	96	137.4 Å²	137.4	67%	0.671	75%	0.751	S	S	*	*			trans	91.9	134.6	137.3	-105.5	0	0	0	0	124
1498	Q	32.5	Very low	33.2	Very low	141 Å²	141	137.6 Å²	137.6	66%	0.659	74%	0.744	S	S	*	*			trans	89.2	118.1	138.2	-76.1	-178.7	48.5	0	0	124.4
1499	K	31.9	Very low	33.3	Very low	164 Å²	164	131.5 Å²	131.5	71%	0.713	72%	0.717	S	S	*	*				88.6	111	129.3	-75.2	170.1	178.6	158.4	0	121.9
1500	K	30.9	Very low	33.4	Very low	190 Å²	190	132.1 Å²	132.1	83%	0.826	71%	0.714	S	S	*	*				42.6	125.8	121.2	-62.8	-172.4	176.2	-169.5	0	119.5
1501	T	31.4	Very low	33.7	Very low	145 Å²	145	131.9 Å²	131.9	89%	0.89	71%	0.713	S	S	*	*				-155.1	152.5	103.2	-5.1	0	0	0	0	112
1502	T	31.5	Very low	33.8	Very low	129 Å²	129	131.5 Å²	131.5	79%	0.791	71%	0.712	S	S	*	*			trans	-124.3	147.6	175.5	25.5	0	0	0	0	109.4
1503	V	32	Very low	33.8	Very low	132 Å²	132	130.8 Å²	130.8	80%	0.8	72%	0.717	S	S	*	*			trans	-140.7	125.1	158.9	-177.8	0	0	0	0	108.2
1504	N	33.6	Very low	34.1	Very low	154 Å²	154	128.8 Å²	128.8	82%	0.824	71%	0.707	S	S	*	*			trans	-107.9	156.7	162.6	-77.8	-4.5	0	0	0	108
1505	I	33.4	Very low	34.1	Very low	165 Å²	165	127.4 Å²	127.4	85%	0.846	71%	0.708	S	S	*	*			trans	-133.3	132.4	151.9	-67.2	-174.9	0	0	0	107.3
1506	S	36.5	Very low	34.3	Very low	79 Å²	79	122.6 Å²	122.6	55%	0.552	70%	0.7	S	S	*	*			trans	-104.5	177.8	169.1	57.2	0	0	0	0	109.8	D1508	S1506-D1508 WeakPolarHBondContact CB-OD2 3.29Å; S1506-D1508 PolarHBondContact OG-OD2 3.16Å
1507	T	35	Very low	34.1	Very low	86 Å²	86	123 Å²	123	53%	0.528	70%	0.7	S	S	.	*			trans	-168.4	168.9	133	40.5	0	0	0	0	111	D1594 F1595	T1507-D1594 WeakPolarHBondContact CB-O 3.41Å; T1507-D1594 WeakPolarHBondContact CG2-O 3.32Å; T1507-D1594 PolarHBondContact OG1-O 2.85Å; T1507-F1595 CarbonylContact C-O 3.55Å; T1507-F1595 WeakPolarHBondContact CB-O 3.46Å; T1507-F1595 PolarHBondContact OG1-O 2.93Å
1508	D	38.7	Very low	34.2	Very low	104 Å²	104	124.2 Å²	124.2	56%	0.556	70%	0.704	S	S	*	*				-146.6	-90.2	-92.1	-100.9	-66.9	0	0	0	114.3	S1506 F1595 F1597	S1506-D1508 WeakPolarHBondContact CB-OD2 3.29Å; S1506-D1508 PolarHBondContact OG-OD2 3.16Å; D1508-F1595 PolarHBondContact N-O 3.04Å; D1508-F1595 VanDerWaalsContact N-O 3.08Å; D1508-F1597 PolarHBondContact O-N 3.44Å
1509	D	36.3	Very low	34.2	Very low	66 Å²	66	124.5 Å²	124.5	35%	0.353	72%	0.715	S	S	.	*			trans	-18.7	135.6	-148.1	-47.3	35	0	0	0	120.8	E1596 F1597	D1509-E1596 HydrophobicContact CB-CG 4.22Å; D1509-E1596 WeakPolarHBondContact OD1-CA 3.38Å; D1509-E1596 PolarHBondContact OD1-N 3.37Å; D1509-F1597 HydrophobicContact CB-CD2 4.43Å; D1509-F1597 VanDerWaalsContact O-CA 3.28Å; D1509-F1597 WeakPolarHBondContact O-CA 3.11Å; D1509-F1597 PolarHBondContact O-N 3Å
1510	D	40.6	Very low	34.2	Very low	121 Å²	121	125.1 Å²	125.1	65%	0.647	72%	0.721	S	S	*	*			cis	86	172.4	20	-162.8	35.6	0	0	0	116.5	N1512	D1510-N1512 PolarHBondContact OD1-ND2 3.27Å
1511	S	37.5	Very low	34.2	Very low	94 Å²	94	125.8 Å²	125.8	66%	0.657	72%	0.723	S	S	*	*			trans	78.2	114.6	-162.8	74.2	0	0	0	0	114
1512	N	34.6	Very low	34.2	Very low	130 Å²	130	126 Å²	126	70%	0.695	71%	0.714	S	S	*	*			cis	81.3	113.4	24.5	-60.6	-53.6	0	0	0	117.3	D1510	D1510-N1512 PolarHBondContact OD1-ND2 3.27Å
1513	D	34.7	Very low	34.4	Very low	164 Å²	164	126 Å²	126	88%	0.877	72%	0.717	S	S	*	*			trans	-172.7	160.4	136.6	-126.1	20.8	0	0	0	110.7
1514	A	35.4	Very low	34.4	Very low	64 Å²	64	129.6 Å²	129.6	53%	0.529	72%	0.716	S	S	.	*				-170.2	138.8	-52	0	0	0	0	0	111.5
1515	T	33.8	Very low	34.2	Very low	145 Å²	145	128.5 Å²	128.5	89%	0.89	71%	0.714	S	S	*	*			trans	61.7	170.5	160.5	74.6	0	0	0	0	117.8
1516	S	33.3	Very low	34.2	Very low	96 Å²	96	128.7 Å²	128.7	67%	0.671	72%	0.715	S	S	*	*			cis	-149.2	157.9	2.7	43.3	0	0	0	0	113.4
1517	T	33.6	Very low	34	Very low	118 Å²	118	128.9 Å²	128.9	72%	0.724	72%	0.717	S	S	*	*			trans	55	106.3	149.2	47.5	0	0	0	0	123.6
1518	T	31.2	Very low	33.7	Very low	122 Å²	122	135.6 Å²	135.6	75%	0.748	73%	0.732	S	S	*	*				58	114	110.1	-47.4	0	0	0	0	121.5
1519	T	33.5	Very low	33.4	Very low	146 Å²	146	142 Å²	142	90%	0.896	75%	0.749	S	S	*	*				-156.6	151.1	128.4	-4.5	0	0	0	0	112
1520	Q	30.1	Very low	33.1	Very low	178 Å²	178	144 Å²	144	83%	0.832	76%	0.763	S	S	*	*			trans	-94.3	149.2	-177	-61.9	169.1	-17.5	0	0	112.4
1521	K	32.3	Very low	32.7	Very low	204 Å²	204	145.3 Å²	145.3	89%	0.887	78%	0.776	S	S	*	*			trans	-172.3	122.5	138.2	-108.3	161.2	-174.8	175.4	0	113.4
1522	E	30.2	Very low	32.3	Very low	148 Å²	148	146.7 Å²	146.7	69%	0.692	78%	0.78	S	S	*	*			trans	-67.9	162.3	150.5	-59.5	-176.8	141.8	0	0	109.8	R1524	E1522-R1524 IonicContact OE2-NE 3.82Å; E1522-R1524 PolarHBondContact OE2-NE 3.34Å
1523	P	35.8	Very low	32.2	Very low	130 Å²	130	148.6 Å²	148.6	84%	0.844	79%	0.79	S	S	*	*			trans	-120.4	132.3	130.2	34	-29.9	0	0	0	112.1
1524	R	31.8	Very low	31.9	Very low	208 Å²	208	150.8 Å²	150.8	79%	0.785	79%	0.786	S	S	*	*			trans	-79.1	142.2	179.8	-66.2	171.5	175.2	-179	-7.7	112.7	E1522	E1522-R1524 IonicContact OE2-NE 3.82Å; E1522-R1524 PolarHBondContact OE2-NE 3.34Å
1525	V	29.7	Very low	31.6	Very low	130 Å²	130	152.3 Å²	152.3	79%	0.788	80%	0.799	S	S	*	*				14.1	120.1	128.9	-175.5	0	0	0	0	117.4
1526	I	34.2	Very low	31.3	Very low	169 Å²	169	154.6 Å²	154.6	87%	0.867	79%	0.791	S	S	*	*			trans	-175.8	150.1	142.9	-95.5	147.3	0	0	0	108.1
1527	S	31.3	Very low	31	Very low	84 Å²	84	159.5 Å²	159.5	59%	0.587	80%	0.796	S	S	*	*			cis	-165.9	146.1	-44.6	89.3	0	0	0	0	109.4
1528	R	29.6	Very low	30.8	Very low	227 Å²	227	158.6 Å²	158.6	86%	0.857	79%	0.79	S	S	*	*			trans	52.4	112.5	149.1	-61	172	175.1	172.7	-1.5	120.9
1529	R	31	Very low	30.8	Very low	238 Å²	238	161.4 Å²	161.4	90%	0.898	79%	0.792	S	S	*	*				-170.3	98.4	109.4	-104.1	174	172.1	171.5	-2.1	109
1530	T	30.4	Very low	30.8	Very low	108 Å²	108	160.6 Å²	160.6	66%	0.663	78%	0.783	S	S	*	*				49.7	86.2	81	70.3	0	0	0	0	114.9
1531	V	32	Very low	31	Very low	149 Å²	149	159.1 Å²	159.1	90%	0.903	78%	0.78	S	S	*	*			trans	-122.7	111.7	133.6	177.4	0	0	0	0	106.3
1532	T	30.1	Very low	31.1	Very low	122 Å²	122	156.4 Å²	156.4	75%	0.748	78%	0.776	S	S	*	*			trans	-92.8	136.8	170.2	48.6	0	0	0	0	108.8
1533	N	32.2	Very low	31.3	Very low	170 Å²	170	157.5 Å²	157.5	91%	0.909	78%	0.781	S	S	*	*			trans	-138.6	138.8	144.2	-122.2	-3.3	0	0	0	109.8
1534	R	28	Very low	31.3	Very low	210 Å²	210	157.8 Å²	157.8	79%	0.792	78%	0.775	S	S	*	*			trans	-92.9	132	174.7	-77.2	169	158.5	161.7	-9.2	108.1
1535	A	29.5	Very low	31.4	Very low	96 Å²	96	154.8 Å²	154.8	79%	0.793	78%	0.775	S	S	*	*			trans	-111.5	116	139.3	0	0	0	0	0	106.3
1536	R	26.6	Very low	31.7	Very low	193 Å²	193	156.4 Å²	156.4	73%	0.728	78%	0.779	S	S	*	*			trans	-97.7	125.9	154.8	-80	177.4	169.5	175.7	-9.7	104.4
1537	Y	28.6	Very low	31.6	Very low	200 Å²	200	156.7 Å²	156.7	78%	0.784	78%	0.782	S	S	*	*			trans	-108.3	113.4	149.5	-86.9	-71.5	0	0	0	107.4	F1539	Y1537-F1539 AromaticContact CD1-CD2 3.92Å; Y1537-F1539 HydrophobicContact CD1-CD2 3.92Å; Y1537-F1539 AromaticContact CD1-CE2 3.54Å; Y1537-F1539 HydrophobicContact CD1-CE2 3.54Å; Y1537-F1539 AromaticContact CE1-CE2 3.75Å; Y1537-F1539 HydrophobicContact CE1-CE2 3.75Å; Y1537-F1539 HydrophobicContact CE1-CZ 4.49Å
1538	V	28.8	Very low	31.8	Very low	98 Å²	98	157.4 Å²	157.4	59%	0.594	79%	0.792	S	S	*	*			trans	-107.6	124.6	156.9	174	0	0	0	0	103.2
1539	F	30.7	Very low	32.1	Very low	181 Å²	181	154 Å²	154	79%	0.794	79%	0.79	S	S	*	*			trans	-132.6	111.2	156.4	-83.6	-67.3	0	0	0	104.9	Y1537	Y1537-F1539 AromaticContact CD1-CD2 3.92Å; Y1537-F1539 HydrophobicContact CD1-CD2 3.92Å; Y1537-F1539 AromaticContact CD1-CE2 3.54Å; Y1537-F1539 HydrophobicContact CD1-CE2 3.54Å; Y1537-F1539 AromaticContact CE1-CE2 3.75Å; Y1537-F1539 HydrophobicContact CE1-CE2 3.75Å; Y1537-F1539 HydrophobicContact CE1-CZ 4.49Å
1540	D	34.9	Very low	32.4	Very low	130 Å²	130	149.3 Å²	149.3	70%	0.695	78%	0.782	S	S	*	*			trans	-86.7	127.4	159.5	-52.3	-60.2	0	0	0	105.3
1541	D	32.7	Very low	32.6	Very low	146 Å²	146	148.7 Å²	148.7	78%	0.781	78%	0.782	S	S	*	*			trans	50.2	165.4	149.4	-52.2	-26.8	0	0	0	123.2
1542	D	35.3	Very low	32.8	Very low	147 Å²	147	149.8 Å²	149.8	79%	0.786	78%	0.783	S	S	*	*			trans	79.6	116.7	163.4	-56.8	-26.3	0	0	0	122
1543	E	34.8	Very low	33	Very low	171 Å²	171	147.8 Å²	147.8	80%	0.799	79%	0.787	S	S	*	*			trans	71.4	107.6	142.1	-61	-178.2	164.1	0	0	121.9
1544	D	34.9	Very low	33	Very low	136 Å²	136	145.4 Å²	145.4	73%	0.727	78%	0.783	S	S	*	*				64.3	125.1	125.2	-57.1	0.3	0	0	0	123.8
1545	D	33.8	Very low	33.4	Very low	145 Å²	145	141.9 Å²	141.9	78%	0.775	78%	0.78	S	S	*	*			trans	61.8	131.5	141.8	-64.3	-12.8	0	0	0	125.3
1546	D	35.7	Very low	33.7	Very low	164 Å²	164	140.5 Å²	140.5	88%	0.877	77%	0.769	S	S	*	*			trans	66.4	140.8	147	-81.2	-20	0	0	0	123.9
1547	L	32	Very low	34.1	Very low	176 Å²	176	138.2 Å²	138.2	92%	0.921	76%	0.764	S	S	*	*			trans	-103.8	123.5	-173.9	-70.4	166.3	0	0	0	112.4
1548	A	36.8	Very low	34.4	Very low	98 Å²	98	137 Å²	137	81%	0.81	76%	0.763	S	S	*	*			trans	-146.6	96.8	161.9	0	0	0	0	0	113.3
1549	I	35.2	Very low	34.8	Very low	156 Å²	156	142.6 Å²	142.6	80%	0.8	77%	0.773	S	S	*	*			trans	-16.2	133.6	142	-65.3	158.3	0	0	0	112.3
1550	D	36.5	Very low	35.1	Very low	140 Å²	140	138.4 Å²	138.4	75%	0.749	77%	0.766	S	S	*	*				-169.4	165.7	64.3	-143.8	-21	0	0	0	116.5
1551	S	35.7	Very low	35.2	Very low	94 Å²	94	142.1 Å²	142.1	66%	0.657	78%	0.776	S	S	*	*			trans	64.2	128.4	148.5	71.2	0	0	0	0	123.4
1552	D	36.7	Very low	35.3	Very low	173 Å²	173	139.3 Å²	139.3	93%	0.925	78%	0.782	S	S	*	*			trans	43	142.9	140.5	-72.4	-18.1	0	0	0	123.8
1553	G	34.1	Very low	35.2	Very low	80 Å²	80	136.3 Å²	136.3	83%	0.825	79%	0.786	S	S	*	*			trans	158.7	85.9	164.6	0	0	0	0	0	115.5
1554	S	32.8	Very low	35.1	Very low	120 Å²	120	133.4 Å²	133.4	84%	0.839	78%	0.784	S	S	*	*			trans	-72.4	150.6	-172.6	55	0	0	0	0	117.2
1555	D	36.1	Very low	35.2	Very low	136 Å²	136	138.7 Å²	138.7	73%	0.727	79%	0.794	S	S	*	*			trans	84.1	136.5	143.1	-144.4	-2.9	0	0	0	121.7	K1557	D1555-K1557 IonicContact OD1-NZ 2.7Å; D1555-K1557 PolarHBondContact OD1-NZ 3.2Å; D1555-K1557 IonicContact OD2-NZ 3.56Å; D1555-K1557 PolarHBondContact OD2-NZ 3.45Å
1556	A	35.3	Very low	35.3	Very low	66 Å²	66	140.7 Å²	140.7	55%	0.545	80%	0.796	S	S	.	*			trans	98.3	92	133.7	0	0	0	0	0	123.1
1557	K	35.9	Very low	35.3	Very low	146 Å²	146	144.3 Å²	144.3	64%	0.635	80%	0.797	S	S	*	*				77.8	118.6	115	-67.9	161.9	-161.2	90.7	0	120.4	D1555	D1555-K1557 IonicContact OD1-NZ 2.7Å; D1555-K1557 PolarHBondContact OD1-NZ 3.2Å; D1555-K1557 IonicContact OD2-NZ 3.56Å; D1555-K1557 PolarHBondContact OD2-NZ 3.45Å
1558	K	35	Very low	35.6	Very low	173 Å²	173	143.4 Å²	143.4	75%	0.752	79%	0.786	S	S	*	*				96.2	120	129.5	-72.1	167	-178.1	172.6	0	121.5
1559	R	36.4	Very low	35.7	Very low	217 Å²	217	143.9 Å²	143.9	82%	0.819	78%	0.775	S	S	*	*				88.4	97.9	122.7	-77.6	179.6	165.8	-168.3	-4.9	121.8
1560	S	36.9	Very low	35.9	Very low	93 Å²	93	141.4 Å²	141.4	65%	0.65	76%	0.763	S	S	*	*				94.4	136.1	98	76.6	0	0	0	0	122.7
1561	K	37	Very low	36.1	Very low	207 Å²	207	140.9 Å²	140.9	90%	0.9	76%	0.76	S	S	*	*			trans	54.3	109.3	147.6	-66.3	176.4	175.4	-173.5	0	116.7
1562	G	33.6	Very low	36.3	Very low	88 Å²	88	143.6 Å²	143.6	91%	0.907	77%	0.768	S	S	*	*			cis	115.5	142.6	45.2	0	0	0	0	0	110.5
1563	G	35.1	Very low	36.5	Very low	83 Å²	83	140.3 Å²	140.3	86%	0.856	76%	0.758	S	S	*	*			trans	177.4	147.5	179.7	0	0	0	0	0	111.9
1564	S	32.6	Very low	36.7	Very low	111 Å²	111	144.1 Å²	144.1	78%	0.776	76%	0.759	S	S	*	*			trans	-148.9	134.8	-174.4	66.8	0	0	0	0	113.6
1565	R	35.8	Very low	37	Very low	247 Å²	247	148.3 Å²	148.3	93%	0.932	76%	0.763	S	S	*	*			trans	176.7	146.7	154	-91.2	140.1	-171.8	-165.1	1.7	107.2
1566	K	35.3	Very low	36.9	Very low	186 Å²	186	149.3 Å²	149.3	81%	0.809	76%	0.763	S	S	*	*			cis	126.7	135.8	1	-179.6	175.5	-178	174.3	0	110.3
1567	R	37.7	Very low	37.3	Very low	241 Å²	241	150.5 Å²	150.5	91%	0.909	77%	0.766	S	S	*	*			trans	88.2	153.9	-172.7	-55.7	166.4	171.3	170.5	-4.6	112.5
1568	K	38	Very low	37.6	Very low	157 Å²	157	152.6 Å²	152.6	68%	0.683	78%	0.778	S	S	*	*			cis	-156.3	153.2	8.2	-162.1	-92.9	161.9	-172.6	0	105.9	D1570	K1568-D1570 IonicContact NZ-OD1 2.66Å; K1568-D1570 PolarHBondContact NZ-OD1 3.37Å; K1568-D1570 IonicContact NZ-OD2 3.27Å; K1568-D1570 PolarHBondContact NZ-OD2 2.73Å
1569	N	38	Very low	37.7	Very low	108 Å²	108	152.5 Å²	152.5	58%	0.578	78%	0.777	S	S	*	*			cis	-176.2	-150.4	-18.9	-170	81.2	0	0	0	105.9	D1571	N1569-D1571 PolarHBondContact ND2-OD2 2.84Å; N1569-D1571 VanDerWaalsContact ND2-OD2 3.17Å
1570	D	39.3	Very low	37.8	Very low	103 Å²	103	147.9 Å²	147.9	55%	0.551	77%	0.773	S	S	*	*			trans	81.3	94.7	159.8	-48.6	-28.7	0	0	0	112.3	K1568	K1568-D1570 IonicContact NZ-OD1 2.66Å; K1568-D1570 PolarHBondContact NZ-OD1 3.37Å; K1568-D1570 IonicContact NZ-OD2 3.27Å; K1568-D1570 PolarHBondContact NZ-OD2 2.73Å
1571	D	40.1	Very low	37.8	Very low	129 Å²	129	152.8 Å²	152.8	69%	0.69	78%	0.782	S	S	*	*				80.4	133.7	69.6	-58.6	-33.8	0	0	0	110.4	N1569	N1569-D1571 PolarHBondContact ND2-OD2 2.84Å; N1569-D1571 VanDerWaalsContact ND2-OD2 3.17Å
1572	D	41.5	Very low	37.7	Very low	152 Å²	152	153 Å²	153	81%	0.813	78%	0.783	S	S	*	*			cis	-146.4	161.8	41.1	-92.2	-50.9	0	0	0	116.4
1573	S	39.6	Very low	37.8	Very low	103 Å²	103	152.4 Å²	152.4	72%	0.72	78%	0.777	S	S	*	*			trans	30.8	132.4	155.8	64.5	0	0	0	0	122.8
1574	D	39.7	Very low	37.8	Very low	160 Å²	160	158.1 Å²	158.1	86%	0.856	78%	0.778	S	S	*	*			cis	93.3	109.4	37.1	-85	-24.4	0	0	0	116.9
1575	F	37.6	Very low	37.9	Very low	208 Å²	208	157.7 Å²	157.7	91%	0.912	78%	0.775	S	S	*	*				-161	133.4	128.9	-140.1	-97	0	0	0	114.4
1576	E	35.2	Very low	38	Very low	158 Å²	158	154.8 Å²	154.8	74%	0.738	77%	0.769	S	S	*	*			trans	-154	-176.7	172.8	-134.7	-156.1	-148.7	0	0	105.7
1577	P	43.8	Very low	38	Very low	91 Å²	91	155.7 Å²	155.7	59%	0.591	77%	0.773	S	S	*	*			cis	-125.5	-167.6	-38.5	35.7	-19.3	0	0	0	111.9
1578	E	42	Very low	37.9	Very low	190 Å²	190	148 Å²	148	89%	0.888	77%	0.768	S	S	*	*			trans	-152.4	167	136.5	-128.9	-171.1	-170.1	0	0	114.7
1579	K	36	Very low	37.9	Very low	170 Å²	170	144.6 Å²	144.6	74%	0.739	77%	0.77	S	S	*	*			trans	-150.2	168.5	-172.1	-71.9	174.7	177.6	154.7	0	112.4
1580	V	38	Very low	37.9	Very low	120 Å²	120	146.7 Å²	146.7	73%	0.727	78%	0.78	S	S	*	*			trans	79.6	119.6	158.9	-157.6	0	0	0	0	115.1
1581	K	38.3	Very low	37.8	Very low	197 Å²	197	147.7 Å²	147.7	86%	0.857	79%	0.786	S	S	*	*				-166.8	174.5	81.3	-122.8	109.3	-170.3	-179.2	0	114.3
1582	K	34.4	Very low	37.8	Very low	211 Å²	211	148.1 Å²	148.1	92%	0.917	79%	0.788	S	S	*	*			trans	-102.4	152.7	-179.5	-62.3	171.8	178.5	172.8	0	112.5
1583	G	35.7	Very low	37.7	Very low	75 Å²	75	145.6 Å²	145.6	77%	0.773	78%	0.782	S	S	*	*			trans	-143.1	162.9	167.8	0	0	0	0	0	112.1
1584	K	36.1	Very low	37.8	Very low	204 Å²	204	145.9 Å²	145.9	89%	0.887	78%	0.776	S	S	*	*			trans	-142	131.1	-169.9	-85.6	-172.8	174.8	-178.3	0	116.1
1585	S	34.5	Very low	37.7	Very low	102 Å²	102	144.7 Å²	144.7	71%	0.713	76%	0.763	S	S	*	*			trans	75.4	149.3	130.5	76.8	0	0	0	0	123.9
1586	K	36.4	Very low	37.8	Very low	186 Å²	186	139.5 Å²	139.5	81%	0.809	74%	0.742	S	S	*	*			trans	107.2	105.5	144.3	-78	-179.4	175.1	178.3	0	121.6
1587	K	36.4	Very low	37.9	Very low	205 Å²	205	137.9 Å²	137.9	89%	0.891	73%	0.732	S	S	*	*				68.3	121.8	125	-79.7	-162.7	167.1	-161.8	0	122.9
1588	G	34.4	Very low	37.7	Very low	78 Å²	78	138.2 Å²	138.2	80%	0.804	74%	0.737	S	S	*	*			trans	99.8	156	137.3	0	0	0	0	0	116.5
1589	A	37.9	Very low	37.3	Very low	87 Å²	87	138 Å²	138	72%	0.719	74%	0.742	S	S	*	*			cis	-171.6	164.9	-18.6	0	0	0	0	0	108.8
1590	L	38.3	Very low	37.4	Very low	151 Å²	151	136.4 Å²	136.4	79%	0.791	74%	0.742	S	S	*	*			trans	71.7	147.7	169.9	-50.8	169.1	0	0	0	114.8
1591	D	38.5	Very low	37.4	Very low	124 Å²	124	137.3 Å²	137.3	66%	0.663	74%	0.743	S	S	*	*			cis	-157.2	164.6	-7.8	-102.9	-17.6	0	0	0	112.7
1592	D	39.9	Very low	37.3	Very low	138 Å²	138	133.9 Å²	133.9	74%	0.738	74%	0.737	S	S	*	*			trans	62.7	125	152.5	-62.3	-20.4	0	0	0	126.6
1593	S	39.3	Very low	37.5	Very low	99 Å²	99	129.4 Å²	129.4	69%	0.692	73%	0.726	S	S	*	*			trans	70.3	149.3	140.6	69.2	0	0	0	0	122
1594	D	40.7	Very low	37.6	Very low	110 Å²	110	132.8 Å²	132.8	59%	0.588	72%	0.723	S	S	*	*			cis	-168.9	139.9	-15.4	-104.6	-13.5	0	0	0	113.6	T1507	T1507-D1594 WeakPolarHBondContact CB-O 3.41Å; T1507-D1594 WeakPolarHBondContact CG2-O 3.32Å; T1507-D1594 PolarHBondContact OG1-O 2.85Å
1595	F	38.2	Very low	37.7	Very low	135 Å²	135	128.1 Å²	128.1	59%	0.592	71%	0.712	S	S	*	*			trans	77.7	104.2	150.9	-88.9	-107.3	0	0	0	124.7	T1507 D1508	T1507-F1595 CarbonylContact C-O 3.55Å; T1507-F1595 WeakPolarHBondContact CB-O 3.46Å; T1507-F1595 PolarHBondContact OG1-O 2.93Å; D1508-F1595 PolarHBondContact N-O 3.04Å; D1508-F1595 VanDerWaalsContact N-O 3.08Å
1596	E	39.8	Very low	37.9	Very low	99 Å²	99	129.9 Å²	129.9	46%	0.463	71%	0.712	S	S	.	*				70.1	119	104.4	-73.9	-159.6	158.4	0	0	125.8	D1509	D1509-E1596 HydrophobicContact CB-CG 4.22Å; D1509-E1596 WeakPolarHBondContact OD1-CA 3.38Å; D1509-E1596 PolarHBondContact OD1-N 3.37Å
1597	F	37.6	Very low	38	Very low	123 Å²	123	125.6 Å²	125.6	54%	0.539	71%	0.705	S	S	.	*			trans	76.4	95	136	-82.1	-82	0	0	0	124	D1508 D1509	D1508-F1597 PolarHBondContact O-N 3.44Å; D1509-F1597 HydrophobicContact CB-CD2 4.43Å; D1509-F1597 VanDerWaalsContact O-CA 3.28Å; D1509-F1597 WeakPolarHBondContact O-CA 3.11Å; D1509-F1597 PolarHBondContact O-N 3Å
1598	S	39.9	Very low	38.2	Very low	98 Å²	98	119 Å²	119	69%	0.685	69%	0.689	S	S	*	*				51.3	132.1	124	75.6	0	0	0	0	125.3
1599	D	33.5	Very low	38.5	Very low	186 Å²	186	122.7 Å²	122.7	100%	0.995	68%	0.679	S	S	*	*			trans	-164.9	0	131	-157.8	18	0	0	0	113.7	R1348	R1348-D1599 VanDerWaalsContact CZ-OXT 3.27Å; R1348-D1599 PolarHBondContact NH1-OXT 3.36Å; R1348-D1599 PolarHBondContact NH2-OXT 3Å

Retrieved 1,599 of 1,599 residues in 2173.6 ms (Link to these results)

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