A0A087XZF9_POEFO Loading...

Insulin-degrading enzyme

AlphaFold DB , UniProt , Accession A0A087XZF9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,022 aa.

						>A0A087XZF9_POEFO|A0A087XZF9
MICFLWVQSMFKCINRTAQFTRYLKSTGNSVCVNQGFRLVSSLPLRMTEPAVRRVVTDIIRSPEDRRDYRGLEFRNGLKAMLISDPTTDKSSAALDVHIGSLSDPANISGLAHFCEHMLFLGTEKYPKENEYSQFLSEHAGSSNAFTSGEHTNYYFDVSHEHLQGALDRFAQFFLCPLFDESCKDREVNAVDSEHEKNLMNDAWRLFQLEKATGNPNHPFSKFGTGNKLTLETRPSKEGVDIRQELLMFHSTYYSANLMGLCVLGRESLDELTAMVENLFGEVENKNVPVPEFPEHPFQEEHLKQFYKVVPIKDIRNLYVTFPIPDLQKYYKSNPGHYLGHLIGHEGPGSLLSELKSKGWVNTLVGGQKEGAKGFMFFIINVDLTEEGLLHVEDIIFHMFQYVQKLRTEGPQEWVFDECKDLSKVAFRFKDKERPRGYTSKVAGLLHYYPLEEVLAAEYLLEDFRPDLIEMVLDKLRPENVRVAVVSKSFEGQTDRTEEWYGTQYKQEAISEESIQNWANADLNGKFKLPMRNEFIPTNFEIYPLEKDPPSVPTLIKDTAMSKVWFKQDDKFFLPKACLNFEFFSPFAYVDPLHCNMAYLYLELLKDSLNEYAYAAELAGLNYDLQNTVYGMYLSVKGYNDKQHILLKKIIEKMATFEIDEKRFDIIKEAYMRSLNNFRAEQPHQHAMYYLRLLMTEVGWTKDELRESLDDVTLPRLRAFIPELLSRLHIEALLHGNITKESALGMMQMVEDTLIEHAHTKPLLPSQLIRYREVQVPDGGWYVYQQRNEVHNHCGIEIYYQTDMQTTNDNMLLELFCQIISEPCFNTLRTKEQLGYIVFSGPRRANGVQGLRFIIQSEKAPHYLESRVEAFLRTMEKALEDMSEEAFQKHIQALAIRRLDKPKKLSAECAKYWGEIISQQYNFDRDNIEVAHLKTLTKENIMQFYRERLTVEAAKRHKVSVHVLSREMDSCPIVGEFPAQNDVNLAPAPSLPQVNTTSGSQRMTFIFPLKIKQTNLFWIQAN
					

Structure Viewer

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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	28.5	Very low	26.3	Very low	225 Å²	225	150.7 Å²	150.7	100%	1.108	75%	0.749	S	S	*	*				0	108.2	0	177.5	173.1	173.9	0	0	106.8
2	I	26.2	Very low	26.2	Very low	141 Å²	141	153.3 Å²	153.3	72%	0.723	75%	0.752	S	S	*	*			trans	68.7	104.9	179.4	-50.7	173.9	0	0	0	112.9
3	C	25.7	Very low	26.1	Very low	105 Å²	105	150.5 Å²	150.5	71%	0.709	76%	0.756	S	S	*	*				65.4	138.5	83.7	-54.5	0	0	0	0	113.7
4	F	27.4	Very low	26.3	Very low	182 Å²	182	151 Å²	151	80%	0.798	76%	0.759	S	S	*	*			cis	-128.6	177.1	22.1	-81.8	-109.1	0	0	0	111.1
5	L	31.4	Very low	26.4	Very low	132 Å²	132	149.3 Å²	149.3	69%	0.691	75%	0.753	S	S	*	*			cis	79.7	138.6	27.5	-50.3	167.9	0	0	0	114.7
6	W	26.2	Very low	26.6	Very low	218 Å²	218	153.6 Å²	153.6	83%	0.826	76%	0.758	S	S	*	*			cis	-165.4	140.2	-1.4	-131.6	31.8	0	0	0	110.9
7	V	26.6	Very low	26.7	Very low	88 Å²	88	152.5 Å²	152.5	53%	0.533	76%	0.762	S	S	.	*				88.9	126.9	97.6	147.6	0	0	0	0	120.5
8	Q	25.2	Very low	26.8	Very low	173 Å²	173	149.1 Å²	149.1	81%	0.808	76%	0.761	S	S	*	*			trans	58.2	167.9	151.6	-71.8	179.8	0.7	0	0	122.1
9	S	23.9	Very low	26.9	Very low	89 Å²	89	150.4 Å²	150.4	62%	0.622	76%	0.764	S	S	*	*			cis	-175.9	168	-33.2	-87.8	0	0	0	0	113
10	M	23.2	Very low	26.8	Very low	150 Å²	150	153.5 Å²	153.5	74%	0.739	77%	0.772	S	S	*	*			trans	71.6	155	162.7	-72.4	-179.6	-80.4	0	0	118
11	F	25	Very low	26.9	Very low	155 Å²	155	151.6 Å²	151.6	68%	0.68	77%	0.769	S	S	*	*			cis	-161.5	149.9	25.5	-120.6	-43.8	0	0	0	115
12	K	25.6	Very low	26.9	Very low	181 Å²	181	151.3 Å²	151.3	79%	0.787	76%	0.755	S	S	*	*			trans	57.3	153.4	143.3	-87.7	164.1	-175.9	167.9	0	124.5
13	C	24.3	Very low	27	Very low	118 Å²	118	153.5 Å²	153.5	80%	0.797	76%	0.756	S	S	*	*			trans	-101	176	-178.5	-31.6	0	0	0	0	113.5
14	I	29.3	Very low	27	Very low	157 Å²	157	155 Å²	155	81%	0.805	76%	0.756	S	S	*	*				177.4	136	125.7	-95.2	162.8	0	0	0	116.2
15	N	26.8	Very low	27	Very low	126 Å²	126	154.6 Å²	154.6	67%	0.674	75%	0.754	S	S	*	*			trans	45.5	136.2	153.2	-73.4	-31.4	0	0	0	126.9
16	R	29.8	Very low	26.7	Very low	217 Å²	217	152.6 Å²	152.6	82%	0.819	75%	0.751	S	S	*	*				42	148.3	125.5	-52.3	-179.4	177	-156.9	-3.5	119.8
17	T	28.5	Very low	26.8	Very low	135 Å²	135	149.2 Å²	149.2	83%	0.828	76%	0.755	S	S	*	*			cis	-163.4	-177.1	34.9	-22.7	0	0	0	0	107.5
18	A	28.3	Very low	26.7	Very low	91 Å²	91	148.7 Å²	148.7	75%	0.752	77%	0.767	S	S	*	*			cis	-154.2	-134	10.8	0	0	0	0	0	113
19	Q	29.4	Very low	26.8	Very low	175 Å²	175	148.6 Å²	148.6	82%	0.818	77%	0.772	S	S	*	*			trans	-136.9	161.9	-178	-60.1	172.5	-47.7	0	0	111.3
20	F	24.3	Very low	26.9	Very low	211 Å²	211	150 Å²	150	93%	0.925	78%	0.782	S	S	*	*			trans	-162.7	174.3	130.6	-117.6	-80	0	0	0	111.4
21	T	28.3	Very low	27.1	Very low	114 Å²	114	149.6 Å²	149.6	70%	0.699	79%	0.787	S	S	*	*			trans	-143.6	170.5	-150.6	-36.4	0	0	0	0	113.5
22	R	29.1	Very low	27.1	Very low	219 Å²	219	147.9 Å²	147.9	83%	0.826	79%	0.793	S	S	*	*			trans	99.8	148.7	162.2	-62	-170.8	165.5	178	-3.2	116.6
23	Y	28.4	Very low	27.2	Very low	187 Å²	187	145.7 Å²	145.7	73%	0.733	80%	0.795	S	S	*	*			cis	-173.2	159.2	-21.5	-125.8	-51.6	0	0	0	109.8
24	L	26.7	Very low	27.3	Very low	136 Å²	136	147.2 Å²	147.2	71%	0.712	80%	0.795	S	S	*	*			trans	67.3	151	152	-71.2	160.8	0	0	0	118
25	K	26	Very low	27.4	Very low	175 Å²	175	147.9 Å²	147.9	76%	0.761	80%	0.795	S	S	*	*			cis	-165.3	151.2	-17.3	-154.1	-173.1	-155.8	177.2	0	111.9
26	S	26	Very low	27.3	Very low	90 Å²	90	145.3 Å²	145.3	63%	0.629	80%	0.798	S	S	*	*			trans	64.7	139.7	144.9	50.4	0	0	0	0	125.1
27	T	27.1	Very low	27.2	Very low	147 Å²	147	144.2 Å²	144.2	90%	0.902	80%	0.8	S	S	*	*			trans	71.4	127.6	144.6	45.4	0	0	0	0	122.3
28	G	25.4	Very low	27.1	Very low	76 Å²	76	148.9 Å²	148.9	78%	0.784	80%	0.802	S	S	*	*			trans	155.7	117.1	159.5	0	0	0	0	0	113.7
29	N	27.1	Very low	27.2	Very low	172 Å²	172	152.7 Å²	152.7	92%	0.92	81%	0.809	S	S	*	*			trans	-87.9	131.2	175	-82.7	-4.1	0	0	0	111.9
30	S	26.4	Very low	27.2	Very low	118 Å²	118	150.7 Å²	150.7	83%	0.825	81%	0.808	S	S	*	*			trans	-169.7	134.2	132.6	48.7	0	0	0	0	110.2
31	V	27.5	Very low	27.3	Very low	141 Å²	141	145.6 Å²	145.6	86%	0.855	80%	0.799	S	S	*	*			trans	-101.2	112.6	173.7	177	0	0	0	0	108.1	V33	V31-V33 HydrophobicContact CG1-CG2 4.07Å
32	C	24.6	Very low	27.5	Very low	119 Å²	119	145.8 Å²	145.8	80%	0.804	81%	0.805	S	S	*	*			trans	-132.2	102.1	167.2	-158.9	0	0	0	0	106.7	N34	C32-N34 PolarHBondContact O-N 3.28Å
33	V	28.4	Very low	27.6	Very low	135 Å²	135	142.4 Å²	142.4	82%	0.818	80%	0.802	S	S	*	*			trans	-78.2	115.2	-178.7	179.4	0	0	0	0	107.9	V31	V31-V33 HydrophobicContact CG1-CG2 4.07Å
34	N	25.2	Very low	27.9	Very low	150 Å²	150	139 Å²	139	80%	0.802	80%	0.803	S	S	*	*			trans	-135.1	147.4	169.9	-149.5	-9.9	0	0	0	109.8	C32	C32-N34 PolarHBondContact O-N 3.28Å
35	Q	31.8	Very low	28.3	Very low	171 Å²	171	140.7 Å²	140.7	80%	0.799	81%	0.812	S	S	*	*			trans	-75.2	151.5	-162.9	-66.6	171.9	-19.7	0	0	112.9
36	G	24.8	Very low	28.8	Very low	72 Å²	72	143.1 Å²	143.1	74%	0.742	82%	0.816	S	S	*	*			trans	-158.4	78.1	179.1	0	0	0	0	0	112	R38	G36-R38 PolarHBondContact O-N 2.77Å
37	F	27.8	Very low	29.5	Very low	195 Å²	195	145.7 Å²	145.7	86%	0.855	82%	0.82	S	S	*	*			trans	-56.1	135.4	173.5	-83.3	-98.7	0	0	0	110.9
38	R	26.4	Very low	30.5	Very low	232 Å²	232	145.5 Å²	145.5	88%	0.875	82%	0.819	S	S	*	*			trans	-115.1	118.7	161.5	-80.2	-172.9	169.8	-169	-3	108.7	G36 V40	G36-R38 PolarHBondContact O-N 2.77Å; R38-V40 PolarHBondContact O-N 3.28Å
39	L	29.4	Very low	32.2	Very low	171 Å²	171	147.2 Å²	147.2	90%	0.895	81%	0.807	S	S	*	*			trans	-60.9	129	162.7	-80	74.1	0	0	0	108.3
40	V	29.6	Very low	34.5	Very low	134 Å²	134	143.1 Å²	143.1	81%	0.812	79%	0.789	S	S	*	*			trans	-110.3	115.9	159.3	177.8	0	0	0	0	105.3	R38 S42	R38-V40 PolarHBondContact O-N 3.28Å; V40-S42 PolarHBondContact O-N 3.36Å
41	S	28.3	Very low	37.4	Very low	103 Å²	103	138.5 Å²	138.5	72%	0.72	76%	0.758	S	S	*	*			trans	-69.8	115.1	-179.5	55.2	0	0	0	0	110.2	L43	S41-L43 PolarHBondContact O-N 3.38Å
42	S	31.1	Very low	40.5	Very low	118 Å²	118	132.5 Å²	132.5	83%	0.825	72%	0.722	S	S	*	*			trans	-66.9	93.8	167	36.4	0	0	0	0	110.3	V40	V40-S42 PolarHBondContact O-N 3.36Å
43	L	30.9	Very low	43.8	Very low	149 Å²	149	135.4 Å²	135.4	78%	0.78	72%	0.716	S	S	*	*			trans	-65.6	127.3	161.2	-83	164.4	0	0	0	108.2	S41 L45	S41-L43 PolarHBondContact O-N 3.38Å; L43-L45 PolarHBondContact O-N 2.76Å
44	P	36.2	Very low	47	Very low	115 Å²	115	133.5 Å²	133.5	75%	0.747	69%	0.694	S	S	*	*			trans	-68.5	107.2	179.5	26.7	-33.2	0	0	0	109.9	R46	P44-R46 VanDerWaalsContact C-N 3.29Å; P44-R46 PolarHBondContact O-N 3.19Å
45	L	33.5	Very low	50.5	Low	172 Å²	172	130.2 Å²	130.2	90%	0.901	68%	0.679	S	S	*	*			trans	-64.7	92.2	162.6	-92.7	166.5	0	0	0	107.9	L43 M47	L43-L45 PolarHBondContact O-N 2.76Å; L45-M47 PolarHBondContact O-N 3.06Å
46	R	38.3	Very low	53.6	Low	225 Å²	225	122.5 Å²	122.5	85%	0.849	64%	0.644	S	S	*	*			trans	-53.9	115.9	168.5	-84.3	-175.2	166.9	-174.4	-5.2	108.6	P44 T48	P44-R46 VanDerWaalsContact C-N 3.29Å; P44-R46 PolarHBondContact O-N 3.19Å; R46-T48 PolarHBondContact O-N 3.37Å
47	M	39.3	Very low	56.9	Low	145 Å²	145	123.3 Å²	123.3	71%	0.714	63%	0.634	S	S	*	*			trans	-57	121.1	169.8	-72.6	171.3	55.3	0	0	109	L45 E49	L45-M47 PolarHBondContact O-N 3.06Å; M47-E49 VanDerWaalsContact C-N 3.32Å
48	T	48.5	Very low	60	Low	143 Å²	143	120.3 Å²	120.3	88%	0.877	63%	0.627	S	S	*	*	S	Bend	trans	-91.9	4.6	176.4	47.4	0	0	0	0	112.8	R46	R46-T48 PolarHBondContact O-N 3.37Å
49	E	60.5	Low	63.5	Low	112 Å²	112	109.9 Å²	109.9	52%	0.523	59%	0.589	S	S	.	*	S	Bend	trans	-119.5	140.9	172.5	-68.6	-167.2	-138.7	0	0	109.4	M47 R75	M47-E49 VanDerWaalsContact C-N 3.32Å; E49-R75 IonicContact OE2-CZ 3.55Å; E49-R75 IonicContact OE2-NH1 2.68Å; E49-R75 PolarHBondContact OE2-NH1 3.03Å; E49-R75 IonicContact OE2-NH2 3.5Å; E49-R75 PolarHBondContact OE2-NH2 2.95Å
50	P	76.8	Confident	66.7	Low	86 Å²	86	105.4 Å²	105.4	56%	0.558	57%	0.565	S	S	*	*			trans	-67.1	149.5	-177.8	28.6	-35.8	0	0	0	111.8	R75	P50-R75 WeakPolarHBondContact O-CD 3.45Å; P50-R75 PolarHBondContact O-NE 2.9Å
51	A	87.1	Confident	69.9	Low	21 Å²	21	103.5 Å²	103.5	17%	0.174	54%	0.543	C	S	.	.	S	Bend	trans	-68.5	-35.8	-175.4	0	0	0	0	0	112.6	F74 R75 E277	A51-F74 HydrophobicContact CB-CD1 4.41Å; A51-F74 HydrophobicContact CB-CE1 4.37Å; A51-R75 WeakPolarHBondContact O-CB 3.28Å; A51-R75 WeakPolarHBondContact O-CG 3.26Å; A51-R75 PolarHBondContact O-N 3.44Å; A51-E277 HydrophobicContact CB-CG 4.29Å
52	V	92.4	Very high	73.2	Confident	14 Å²	14	99 Å²	99	9%	0.085	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	138.6	172	171.3	0	0	0	0	111.9	R54 V55 L72 F74 E277	V52-R54 VanDerWaalsContact CG1-O 3.26Å; V52-R54 WeakPolarHBondContact CG1-O 3.34Å; V52-V55 HydrophobicContact CG1-CG2 3.71Å; V52-L72 HydrophobicContact CG1-CD2 4.18Å; V52-L72 HydrophobicContact CG2-CB 4.34Å; V52-L72 HydrophobicContact CG2-CD1 4.15Å; V52-L72 HydrophobicContact CG2-CD2 4.23Å; V52-L72 HydrophobicContact CG2-CG 4.49Å; V52-F74 HydrophobicContact CG2-CD1 4.47Å; V52-F74 HydrophobicContact CG2-CD2 4.25Å; V52-F74 HydrophobicContact CG2-CE1 4.14Å; V52-F74 HydrophobicContact CG2-CE2 3.87Å; V52-F74 HydrophobicContact CG2-CZ 3.78Å; V52-E277 HydrophobicContact CG2-CG 3.84Å; V52-E277 WeakPolarHBondContact CG2-OE1 3.38Å; V52-E277 PolarHBondContact N-OE1 3.47Å; V52-E277 VanDerWaalsContact N-OE1 3.08Å
53	R	93.9	Very high	76.4	Confident	180 Å²	180	97.8 Å²	97.8	68%	0.679	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	-42.6	175.3	-176.5	-169.8	-178	-155.7	8.4	112.2	E73 R75	R53-E73 WeakPolarHBondContact CA-O 3.47Å; R53-E73 WeakPolarHBondContact CB-O 3.29Å; R53-E73 WeakPolarHBondContact CD-OE1 3.27Å; R53-E73 IonicContact CZ-OE1 2.66Å; R53-E73 PolarHBondContact N-O 3.33Å; R53-E73 IonicContact NE-OE1 3.8Å; R53-E73 IonicContact NH1-OE1 3.9Å; R53-E73 PolarHBondContact NH1-OE1 2.8Å; R53-R75 HydrophobicContact CB-CG 3.93Å
54	R	96.1	Very high	79.6	Confident	95 Å²	95	93.1 Å²	93.1	36%	0.358	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.9	-177.6	-161	169.1	74.4	97.4	-3	109.8	V52 L72 E73 E452	V52-R54 VanDerWaalsContact CG1-O 3.26Å; V52-R54 WeakPolarHBondContact CG1-O 3.34Å; R54-L72 WeakPolarHBondContact O-CA 3.44Å; R54-E73 HydrophobicContact CB-CB 3.72Å; R54-E73 IonicContact CZ-OE2 3.78Å; R54-E73 PolarHBondContact N-O 2.84Å; R54-E73 VanDerWaalsContact N-O 3.08Å; R54-E73 IonicContact NE-OE2 2.78Å; R54-E73 PolarHBondContact NE-OE2 3.37Å; R54-E73 IonicContact NH2-OE2 2.84Å; R54-E73 PolarHBondContact O-N 3.37Å; R54-E452 IonicContact CZ-OE1 2.71Å; R54-E452 IonicContact NH1-OE1 2.75Å; R54-E452 PolarHBondContact NH1-OE1 3.43Å; R54-E452 IonicContact NH1-OE2 3.23Å; R54-E452 IonicContact NH2-OE1 2.89Å; R54-E452 PolarHBondContact NH2-OE1 2.91Å; R54-E452 IonicContact NH2-OE2 3.95Å; R54-E452 PolarHBondContact NH2-OE2 2.88Å
55	V	97.2	Very high	82.5	Confident	81 Å²	81	88.7 Å²	88.7	49%	0.491	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.1	171.4	-179.6	0	0	0	0	107.9	V52 R70 L72	V52-V55 HydrophobicContact CG1-CG2 3.71Å; V55-R70 HydrophobicContact CG1-CG 3.88Å; V55-L72 HydrophobicContact CB-CD2 4.41Å; V55-L72 HydrophobicContact CG1-CD2 4.19Å; V55-L72 HydrophobicContact CG2-CD2 3.92Å
56	V	97	Very high	85.5	Confident	9 Å²	9	89.6 Å²	89.6	6%	0.055	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	116.3	178	-175.1	0	0	0	0	108.5	I59 R70 G71 L451 E452	V56-I59 HydrophobicContact CB-CD1 4.05Å; V56-I59 HydrophobicContact CG1-CD1 3.55Å; V56-R70 WeakPolarHBondContact O-CA 3.42Å; V56-G71 PolarHBondContact N-O 3.39Å; V56-G71 PolarHBondContact O-N 3.16Å; V56-L451 HydrophobicContact CB-CB 4.37Å; V56-L451 HydrophobicContact CB-CD1 4.5Å; V56-L451 HydrophobicContact CG2-CB 4.14Å; V56-L451 HydrophobicContact CG2-CD1 3.8Å; V56-E452 HydrophobicContact CG1-CG 3.7Å; V56-E452 WeakPolarHBondContact CG1-OE1 3.29Å; V56-E452 WeakPolarHBondContact CG2-OE1 3.47Å
57	T	94.4	Very high	88.4	Confident	89 Å²	89	79 Å²	79	55%	0.546	40%	0.397	S	S	.	.			trans	-93.4	-29.2	177	44.9	0	0	0	0	112.9	I59	T57-I59 PolarHBondContact O-N 3.41Å
58	D	94.3	Very high	91.2	Very high	132 Å²	132	75.8 Å²	75.8	71%	0.706	38%	0.382	S	S	*	.			trans	-93.1	55	-162.1	-58.7	1.1	0	0	0	110.5
59	I	98.1	Very high	93.6	Very high	13 Å²	13	69.5 Å²	69.5	7%	0.067	34%	0.343	C	S	.	.			trans	-75.3	126.2	-176.8	-48	-57.2	0	0	0	110	V56 T57 R61 M81 L451 L455	V56-I59 HydrophobicContact CB-CD1 4.05Å; V56-I59 HydrophobicContact CG1-CD1 3.55Å; T57-I59 PolarHBondContact O-N 3.41Å; I59-R61 PolarHBondContact O-N 2.88Å; I59-R61 VanDerWaalsContact O-N 3.08Å; I59-M81 HydrophobicContact CD1-CE 4.16Å; I59-M81 HydrophobicContact CG1-CE 4.44Å; I59-M81 HydrophobicContact CG1-SD 4.36Å; I59-M81 HydrophobicContact CG2-CE 4Å; I59-M81 HydrophobicContact CG2-SD 4.41Å; I59-L451 WeakPolarHBondContact CD1-O 3.49Å; I59-L455 HydrophobicContact CG2-CD1 3.81Å; I59-L455 HydrophobicContact CG2-CG 4.04Å
60	I	97.9	Very high	95.4	Very high	77 Å²	77	65.9 Å²	65.9	40%	0.395	32%	0.324	S	S	.	.			trans	-70.6	106.1	-179.6	-57.6	174.6	0	0	0	109.2	E452 E453 A456	I60-E452 WeakPolarHBondContact CG1-O 3.35Å; I60-E452 PolarHBondContact N-O 3.44Å; I60-E453 HydrophobicContact CD1-CG 4.22Å; I60-A456 HydrophobicContact CB-CB 4.19Å; I60-A456 HydrophobicContact CG2-CB 3.74Å
61	R	96.9	Very high	96.5	Very high	95 Å²	95	61.8 Å²	61.8	36%	0.358	30%	0.298	S	S	.	.			trans	-119.1	167.2	178.1	64.8	178.4	174.2	-168.1	-7.6	111.6	I59 R67 D68 Y69 L455	I59-R61 PolarHBondContact O-N 2.88Å; I59-R61 VanDerWaalsContact O-N 3.08Å; R61-R67 PolarHBondContact NH1-O 3.46Å; R61-D68 IonicContact CZ-OD1 3.45Å; R61-D68 IonicContact NH1-OD1 2.7Å; R61-D68 PolarHBondContact NH1-OD1 3.01Å; R61-D68 IonicContact NH2-OD1 3.95Å; R61-D68 PolarHBondContact NH2-OD1 2.76Å; R61-Y69 HydrophobicContact CB-CD2 4.43Å; R61-Y69 HydrophobicContact CB-CE2 4.32Å; R61-L455 HydrophobicContact CB-CD1 4.23Å
62	S	97.9	Very high	97	Very high	8 Å²	8	60.8 Å²	60.8	6%	0.056	29%	0.289	C	S	.	.			trans	-62.9	142	169.6	167.8	0	0	0	0	111	E64 D65 F427 R428	S62-E64 PolarHBondContact O-N 3.08Å; S62-E64 PolarHBondContact OG-N 3.01Å; S62-D65 WeakPolarHBondContact O-CB 3.43Å; S62-D65 PolarHBondContact O-N 3.45Å; S62-D65 VanDerWaalsContact O-N 3.11Å; S62-F427 WeakPolarHBondContact CB-O 3.29Å; S62-R428 PolarHBondContact OG-O 3.43Å
63	P	97.4	Very high	97.2	Very high	93 Å²	93	62 Å²	62	60%	0.604	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-25.7	169	-25.2	34.5	0	0	0	114.7
64	E	97.3	Very high	97.3	Very high	51 Å²	51	53.5 Å²	53.5	24%	0.238	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-12	-178.6	-43.3	-54.6	163.1	0	0	112.3	S62 R66 R428 F429 L574	S62-E64 PolarHBondContact O-N 3.08Å; S62-E64 PolarHBondContact OG-N 3.01Å; E64-R66 PolarHBondContact O-NE 3.24Å; E64-R428 HydrophobicContact CG-CG 4.09Å; E64-R428 WeakPolarHBondContact CG-O 3.37Å; E64-R428 IonicContact OE1-CZ 2.62Å; E64-R428 IonicContact OE1-NE 3.77Å; E64-R428 PolarHBondContact OE1-NE 2.95Å; E64-R428 IonicContact OE1-NH2 2.77Å; E64-R428 PolarHBondContact OE1-NH2 3.42Å; E64-F429 HydrophobicContact CG-CD1 4.07Å; E64-F429 HydrophobicContact CG-CE1 4.25Å; E64-L574 HydrophobicContact CB-CD2 4.36Å
65	D	97.6	Very high	97.3	Very high	22 Å²	22	54.7 Å²	54.7	12%	0.118	27%	0.266	C	S	.	.			trans	-75.4	129.6	-178.6	-157.1	-25	0	0	0	111.7	S62 R67 Y69	S62-D65 WeakPolarHBondContact O-CB 3.43Å; S62-D65 PolarHBondContact O-N 3.45Å; S62-D65 VanDerWaalsContact O-N 3.11Å; D65-R67 WeakPolarHBondContact OD1-CB 3.38Å; D65-R67 WeakPolarHBondContact OD1-CG 3.25Å; D65-R67 IonicContact OD1-CZ 2.75Å; D65-R67 PolarHBondContact OD1-N 3.46Å; D65-R67 IonicContact OD1-NE 3.54Å; D65-R67 PolarHBondContact OD1-NE 2.63Å; D65-R67 IonicContact OD1-NH2 2.8Å; D65-R67 IonicContact OD2-CZ 2.61Å; D65-R67 IonicContact OD2-NE 2.74Å; D65-R67 PolarHBondContact OD2-NE 3.26Å; D65-R67 IonicContact OD2-NH2 3.72Å; D65-R67 PolarHBondContact OD2-NH2 3.06Å; D65-Y69 PolarHBondContact OD2-OH 3.1Å
66	R	97.4	Very high	97.2	Very high	190 Å²	190	51.6 Å²	51.6	72%	0.717	25%	0.247	S	C	*	.			trans	-104.8	3.1	-177.7	-50.2	-57.4	175.1	169.1	-3.9	113.1	E64	E64-R66 PolarHBondContact O-NE 3.24Å
67	R	98.4	Very high	97.1	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.015	26%	0.259	C	S	.	.			trans	-85.1	136.5	173.7	-60.5	171.1	-74.2	-166.7	4	109.3	R61 D65 Y69 I83 S84 D85 E433 Y438	R61-R67 PolarHBondContact NH1-O 3.46Å; D65-R67 WeakPolarHBondContact OD1-CB 3.38Å; D65-R67 WeakPolarHBondContact OD1-CG 3.25Å; D65-R67 IonicContact OD1-CZ 2.75Å; D65-R67 PolarHBondContact OD1-N 3.46Å; D65-R67 IonicContact OD1-NE 3.54Å; D65-R67 PolarHBondContact OD1-NE 2.63Å; D65-R67 IonicContact OD1-NH2 2.8Å; D65-R67 IonicContact OD2-CZ 2.61Å; D65-R67 IonicContact OD2-NE 2.74Å; D65-R67 PolarHBondContact OD2-NE 3.26Å; D65-R67 IonicContact OD2-NH2 3.72Å; D65-R67 PolarHBondContact OD2-NH2 3.06Å; R67-Y69 HydrophobicContact CB-CE2 3.85Å; R67-Y69 PolarHBondContact NE-OH 3.45Å; R67-Y69 VanDerWaalsContact NE-OH 3.15Å; R67-Y69 WeakPolarHBondContact O-CD2 3.3Å; R67-Y69 WeakPolarHBondContact O-CE2 3.31Å; R67-I83 HydrophobicContact CB-CG2 3.96Å; R67-I83 HydrophobicContact CG-CG2 4.45Å; R67-S84 WeakPolarHBondContact CA-O 3.32Å; R67-D85 HydrophobicContact CG-CB 4.02Å; R67-E433 IonicContact CZ-OE2 2.72Å; R67-E433 IonicContact NH1-OE2 3.96Å; R67-E433 PolarHBondContact NH1-OE2 2.98Å; R67-E433 IonicContact NH2-OE2 3.65Å; R67-E433 PolarHBondContact NH2-OE2 3.21Å; R67-Y438 VanDerWaalsContact NH1-CE1 3.25Å
68	D	98.5	Very high	97.3	Very high	76 Å²	76	48.3 Å²	48.3	41%	0.406	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	148.9	175.2	-74.5	-45.9	0	0	0	111.8	R61 I83 S84 L269	R61-D68 IonicContact CZ-OD1 3.45Å; R61-D68 IonicContact NH1-OD1 2.7Å; R61-D68 PolarHBondContact NH1-OD1 3.01Å; R61-D68 IonicContact NH2-OD1 3.95Å; R61-D68 PolarHBondContact NH2-OD1 2.76Å; D68-I83 CarbonylContact O-C 3.16Å; D68-I83 WeakPolarHBondContact O-CA 3.43Å; D68-S84 PolarHBondContact N-O 2.95Å; D68-S84 PolarHBondContact O-N 3.09Å; D68-L269 HydrophobicContact CB-CD1 4.03Å
69	Y	98.8	Very high	97.5	Very high	11 Å²	11	45 Å²	45	4%	0.043	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.4	-167.2	-69.3	-87.8	0	0	0	112.6	R61 D65 R67 M81 L82 I83 L269 Y438 L455	R61-Y69 HydrophobicContact CB-CD2 4.43Å; R61-Y69 HydrophobicContact CB-CE2 4.32Å; D65-Y69 PolarHBondContact OD2-OH 3.1Å; R67-Y69 HydrophobicContact CB-CE2 3.85Å; R67-Y69 PolarHBondContact NE-OH 3.45Å; R67-Y69 VanDerWaalsContact NE-OH 3.15Å; R67-Y69 WeakPolarHBondContact O-CD2 3.3Å; R67-Y69 WeakPolarHBondContact O-CE2 3.31Å; Y69-M81 HydrophobicContact CD1-CG 4.39Å; Y69-M81 HydrophobicContact CD1-SD 4.08Å; Y69-L82 WeakPolarHBondContact CA-O 3.25Å; Y69-I83 HydrophobicContact CD1-CB 4.4Å; Y69-I83 HydrophobicContact CD1-CG1 3.82Å; Y69-I83 HydrophobicContact CD1-CG2 4.26Å; Y69-I83 HydrophobicContact CE1-CB 4.17Å; Y69-I83 HydrophobicContact CE1-CD1 3.86Å; Y69-I83 HydrophobicContact CE1-CG1 3.6Å; Y69-I83 HydrophobicContact CE1-CG2 3.72Å; Y69-L269 WeakPolarHBondContact O-CD1 3.31Å; Y69-Y438 HydrophobicContact CE1-CE1 4.35Å; Y69-Y438 WeakPolarHBondContact OH-CE1 3.04Å; Y69-Y438 PolarHBondContact OH-OH 2.94Å; Y69-Y438 VanDerWaalsContact OH-OH 3.1Å; Y69-L455 HydrophobicContact CD1-CD1 3.78Å; Y69-L455 HydrophobicContact CD2-CD1 4.18Å; Y69-L455 HydrophobicContact CE1-CD1 3.56Å; Y69-L455 HydrophobicContact CE1-CD2 4.22Å; Y69-L455 HydrophobicContact CE2-CD1 3.98Å; Y69-L455 HydrophobicContact CG-CD1 4.09Å
70	R	98.7	Very high	97.6	Very high	37 Å²	37	44.4 Å²	44.4	14%	0.14	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	122.5	168.5	-176.6	-179.5	-67.3	177.4	-2.3	110.6	V55 V56 L72 L82 L269 D270 T273	V55-R70 HydrophobicContact CG1-CG 3.88Å; V56-R70 WeakPolarHBondContact O-CA 3.42Å; R70-L72 HydrophobicContact CG-CD2 3.99Å; R70-L82 HydrophobicContact CB-CB 4.32Å; R70-L82 PolarHBondContact N-O 2.97Å; R70-L82 PolarHBondContact O-N 2.96Å; R70-L269 HydrophobicContact CB-CB 4.45Å; R70-L269 HydrophobicContact CB-CD1 4.2Å; R70-L269 HydrophobicContact CB-CD2 4.01Å; R70-L269 HydrophobicContact CB-CG 4.46Å; R70-L269 PolarHBondContact NH1-O 2.87Å; R70-D270 IonicContact CZ-OD1 3.2Å; R70-D270 IonicContact NH1-OD1 3.26Å; R70-D270 PolarHBondContact NH1-OD1 3.17Å; R70-D270 IonicContact NH2-OD1 2.67Å; R70-D270 PolarHBondContact NH2-OD1 2.9Å; R70-T273 PolarHBondContact NH1-OG1 2.76Å
71	G	98.6	Very high	97.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	139.9	167.1	0	0	0	0	0	110.8	V56 A80	V56-G71 PolarHBondContact N-O 3.39Å; V56-G71 PolarHBondContact O-N 3.16Å; G71-A80 CarbonylContact C-O 3.57Å; G71-A80 WeakPolarHBondContact CA-O 3Å
72	L	98.2	Very high	97.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.5	173.1	-56.3	176.1	0	0	0	110.2	V52 R54 V55 R70 F74 A80 L82 T273	V52-L72 HydrophobicContact CG1-CD2 4.18Å; V52-L72 HydrophobicContact CG2-CB 4.34Å; V52-L72 HydrophobicContact CG2-CD1 4.15Å; V52-L72 HydrophobicContact CG2-CD2 4.23Å; V52-L72 HydrophobicContact CG2-CG 4.49Å; R54-L72 WeakPolarHBondContact O-CA 3.44Å; V55-L72 HydrophobicContact CB-CD2 4.41Å; V55-L72 HydrophobicContact CG1-CD2 4.19Å; V55-L72 HydrophobicContact CG2-CD2 3.92Å; R70-L72 HydrophobicContact CG-CD2 3.99Å; L72-F74 HydrophobicContact CB-CD2 4.28Å; L72-F74 HydrophobicContact CB-CE2 3.87Å; L72-F74 HydrophobicContact CD1-CE2 3.9Å; L72-F74 HydrophobicContact CD1-CZ 4.29Å; L72-A80 HydrophobicContact CB-CB 4.25Å; L72-A80 PolarHBondContact N-O 3.44Å; L72-A80 PolarHBondContact O-N 2.98Å; L72-L82 HydrophobicContact CD1-CD1 3.8Å; L72-L82 HydrophobicContact CD1-CD2 4.49Å; L72-L82 HydrophobicContact CD1-CG 4.14Å; L72-L82 HydrophobicContact CG-CD1 4.37Å; L72-T273 HydrophobicContact CD1-CG2 4.11Å; L72-T273 HydrophobicContact CD2-CG2 4.4Å
73	E	96.8	Very high	97.7	Very high	38 Å²	38	35.9 Å²	35.9	18%	0.178	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121	168.1	-165.6	-169.3	130	0	0	107.5	R53 R54 L451	R53-E73 WeakPolarHBondContact CA-O 3.47Å; R53-E73 WeakPolarHBondContact CB-O 3.29Å; R53-E73 WeakPolarHBondContact CD-OE1 3.27Å; R53-E73 IonicContact CZ-OE1 2.66Å; R53-E73 PolarHBondContact N-O 3.33Å; R53-E73 IonicContact NE-OE1 3.8Å; R53-E73 IonicContact NH1-OE1 3.9Å; R53-E73 PolarHBondContact NH1-OE1 2.8Å; R54-E73 HydrophobicContact CB-CB 3.72Å; R54-E73 IonicContact CZ-OE2 3.78Å; R54-E73 PolarHBondContact N-O 2.84Å; R54-E73 VanDerWaalsContact N-O 3.08Å; R54-E73 IonicContact NE-OE2 2.78Å; R54-E73 PolarHBondContact NE-OE2 3.37Å; R54-E73 IonicContact NH2-OE2 2.84Å; R54-E73 PolarHBondContact O-N 3.37Å; E73-L451 HydrophobicContact CB-CD1 4.39Å
74	F	96.8	Very high	97.8	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.009	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	159.2	-176.2	-80.6	-112.4	0	0	0	112.4	A51 V52 L72 N76 G77 L78 A80 V276 E277	A51-F74 HydrophobicContact CB-CD1 4.41Å; A51-F74 HydrophobicContact CB-CE1 4.37Å; V52-F74 HydrophobicContact CG2-CD1 4.47Å; V52-F74 HydrophobicContact CG2-CD2 4.25Å; V52-F74 HydrophobicContact CG2-CE1 4.14Å; V52-F74 HydrophobicContact CG2-CE2 3.87Å; V52-F74 HydrophobicContact CG2-CZ 3.78Å; L72-F74 HydrophobicContact CB-CD2 4.28Å; L72-F74 HydrophobicContact CB-CE2 3.87Å; L72-F74 HydrophobicContact CD1-CE2 3.9Å; L72-F74 HydrophobicContact CD1-CZ 4.29Å; F74-N76 WeakPolarHBondContact CB-OD1 3.47Å; F74-N76 PolarHBondContact O-N 3.19Å; F74-G77 WeakPolarHBondContact O-CA 3.41Å; F74-G77 PolarHBondContact O-N 2.74Å; F74-L78 HydrophobicContact CB-CB 4.16Å; F74-L78 WeakPolarHBondContact CB-O 3.29Å; F74-L78 HydrophobicContact CD2-CD2 3.75Å; F74-L78 HydrophobicContact CE2-CD2 4.09Å; F74-L78 HydrophobicContact CG-CB 4.45Å; F74-L78 HydrophobicContact CG-CD2 4.25Å; F74-L78 PolarHBondContact N-O 2.88Å; F74-A80 HydrophobicContact CE2-CB 4.22Å; F74-V276 HydrophobicContact CE2-CG1 4.11Å; F74-V276 HydrophobicContact CZ-CG1 3.71Å; F74-E277 HydrophobicContact CE1-CG 4.09Å; F74-E277 HydrophobicContact CZ-CG 4.09Å
75	R	95.1	Very high	97.9	Very high	120 Å²	120	29.7 Å²	29.7	45%	0.453	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.9	173.3	-70.4	176	179.4	-113.4	11.7	113.8	E49 P50 A51 R53	E49-R75 IonicContact OE2-CZ 3.55Å; E49-R75 IonicContact OE2-NH1 2.68Å; E49-R75 PolarHBondContact OE2-NH1 3.03Å; E49-R75 IonicContact OE2-NH2 3.5Å; E49-R75 PolarHBondContact OE2-NH2 2.95Å; P50-R75 WeakPolarHBondContact O-CD 3.45Å; P50-R75 PolarHBondContact O-NE 2.9Å; A51-R75 WeakPolarHBondContact O-CB 3.28Å; A51-R75 WeakPolarHBondContact O-CG 3.26Å; A51-R75 PolarHBondContact O-N 3.44Å; R53-R75 HydrophobicContact CB-CG 3.93Å
76	N	94.4	Very high	97.9	Very high	17 Å²	17	32.6 Å²	32.6	9%	0.091	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	3.9	168.4	68	1.3	0	0	0	112.7	F74 L78 A256 N257 F280 V283 N285	F74-N76 WeakPolarHBondContact CB-OD1 3.47Å; F74-N76 PolarHBondContact O-N 3.19Å; N76-L78 VanDerWaalsContact C-N 3.32Å; N76-L78 PolarHBondContact O-N 2.84Å; N76-L78 WeakPolarHBondContact OD1-CB 3.48Å; N76-L78 PolarHBondContact OD1-N 3.46Å; N76-A256 HydrophobicContact CB-CB 3.66Å; N76-A256 WeakPolarHBondContact ND2-CB 3.43Å; N76-A256 CarbonylContact O-C 3.55Å; N76-A256 VanDerWaalsContact O-CB 3.22Å; N76-A256 WeakPolarHBondContact O-CB 3.45Å; N76-N257 PolarHBondContact O-N 3.47Å; N76-F280 PolarHBondContact ND2-O 3.39Å; N76-V283 PolarHBondContact ND2-O 2.95Å; N76-N285 HydrophobicContact CB-CB 3.95Å; N76-N285 VanDerWaalsContact O-CB 3.25Å; N76-N285 WeakPolarHBondContact O-CB 3.48Å; N76-N285 VanDerWaalsContact O-CG 3.28Å
77	G	96.3	Very high	97.9	Very high	29 Å²	29	27.2 Å²	27.2	30%	0.299	14%	0.143	S	C	.	.	S	Bend	trans	85.5	-5.5	176.8	0	0	0	0	0	115.2	F74 K79	F74-G77 WeakPolarHBondContact O-CA 3.41Å; F74-G77 PolarHBondContact O-N 2.74Å; G77-K79 PolarHBondContact O-N 3.43Å
78	L	98.1	Very high	97.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.			trans	-62.9	134	175.4	-179.8	150	0	0	0	110.6	F74 N76 A80 A256 M259 L261 F280	F74-L78 HydrophobicContact CB-CB 4.16Å; F74-L78 WeakPolarHBondContact CB-O 3.29Å; F74-L78 HydrophobicContact CD2-CD2 3.75Å; F74-L78 HydrophobicContact CE2-CD2 4.09Å; F74-L78 HydrophobicContact CG-CB 4.45Å; F74-L78 HydrophobicContact CG-CD2 4.25Å; F74-L78 PolarHBondContact N-O 2.88Å; N76-L78 VanDerWaalsContact C-N 3.32Å; N76-L78 PolarHBondContact O-N 2.84Å; N76-L78 WeakPolarHBondContact OD1-CB 3.48Å; N76-L78 PolarHBondContact OD1-N 3.46Å; L78-A80 HydrophobicContact CD2-CB 4.01Å; L78-A256 WeakPolarHBondContact CA-O 3.42Å; L78-A256 HydrophobicContact CB-CB 4.25Å; L78-A256 PolarHBondContact N-O 3.44Å; L78-M259 HydrophobicContact CD1-CB 3.89Å; L78-M259 HydrophobicContact CD1-SD 4.42Å; L78-M259 HydrophobicContact CG-CB 4.12Å; L78-L261 HydrophobicContact CD2-CB 4.13Å; L78-L261 HydrophobicContact CD2-CD2 4.4Å; L78-F280 HydrophobicContact CD1-CB 4.17Å; L78-F280 HydrophobicContact CD1-CD1 4.47Å
79	K	98.6	Very high	97.8	Very high	63 Å²	63	24.4 Å²	24.4	27%	0.274	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	135.4	171.9	-63.7	176.1	179.3	175.2	0	108.6	G77 M259 G260 L261 L446 H447 L451	G77-K79 PolarHBondContact O-N 3.43Å; K79-M259 PolarHBondContact N-O 3.17Å; K79-G260 WeakPolarHBondContact O-CA 3.48Å; K79-L261 PolarHBondContact O-N 3.45Å; K79-L446 HydrophobicContact CB-CB 4.24Å; K79-L446 HydrophobicContact CB-CD2 4.3Å; K79-L446 HydrophobicContact CD-CB 4.38Å; K79-L446 WeakPolarHBondContact CD-O 3.31Å; K79-L446 WeakPolarHBondContact CE-O 3.49Å; K79-L446 PolarHBondContact NZ-O 2.82Å; K79-H447 PolarHBondContact NZ-O 3.39Å; K79-L451 HydrophobicContact CB-CD2 4.31Å
80	A	98.6	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.8	173.7	0	0	0	0	0	113.4	G71 L72 F74 L78 L261	G71-A80 CarbonylContact C-O 3.57Å; G71-A80 WeakPolarHBondContact CA-O 3Å; L72-A80 HydrophobicContact CB-CB 4.25Å; L72-A80 PolarHBondContact N-O 3.44Å; L72-A80 PolarHBondContact O-N 2.98Å; F74-A80 HydrophobicContact CE2-CB 4.22Å; L78-A80 HydrophobicContact CD2-CB 4.01Å; A80-L261 CarbonylContact C-O 3.42Å; A80-L261 WeakPolarHBondContact CA-O 3.23Å; A80-L261 HydrophobicContact CB-CB 4.14Å; A80-L261 HydrophobicContact CB-CD2 4.25Å
81	M	98.8	Very high	97.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122	166.5	-174.9	62.3	69.5	0	0	109.5	I59 Y69 I83 L261 C262 V263 V442 L446 L451 V454	I59-M81 HydrophobicContact CD1-CE 4.16Å; I59-M81 HydrophobicContact CG1-CE 4.44Å; I59-M81 HydrophobicContact CG1-SD 4.36Å; I59-M81 HydrophobicContact CG2-CE 4Å; I59-M81 HydrophobicContact CG2-SD 4.41Å; Y69-M81 HydrophobicContact CD1-CG 4.39Å; Y69-M81 HydrophobicContact CD1-SD 4.08Å; M81-I83 HydrophobicContact CG-CG1 4.29Å; M81-L261 PolarHBondContact N-O 2.75Å; M81-C262 WeakPolarHBondContact O-CA 3.38Å; M81-V263 PolarHBondContact O-N 3.09Å; M81-V442 HydrophobicContact CB-CG1 3.74Å; M81-V442 HydrophobicContact CG-CG1 3.83Å; M81-L446 HydrophobicContact CB-CD1 4.19Å; M81-L446 HydrophobicContact CB-CD2 4.31Å; M81-L451 WeakPolarHBondContact CE-O 3.34Å; M81-V454 HydrophobicContact CE-CB 4.22Å; M81-V454 HydrophobicContact CE-CG2 4.26Å
82	L	98.9	Very high	97.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139	173.5	-52.2	-177.8	0	0	0	109.7	Y69 R70 L72 V263 L269 L272 T273 V276	Y69-L82 WeakPolarHBondContact CA-O 3.25Å; R70-L82 HydrophobicContact CB-CB 4.32Å; R70-L82 PolarHBondContact N-O 2.97Å; R70-L82 PolarHBondContact O-N 2.96Å; L72-L82 HydrophobicContact CD1-CD1 3.8Å; L72-L82 HydrophobicContact CD1-CD2 4.49Å; L72-L82 HydrophobicContact CD1-CG 4.14Å; L72-L82 HydrophobicContact CG-CD1 4.37Å; L82-V263 CarbonylContact C-O 3.43Å; L82-V263 WeakPolarHBondContact CA-O 3.38Å; L82-V263 HydrophobicContact CD2-CB 4.23Å; L82-L269 HydrophobicContact CB-CD2 3.99Å; L82-L272 HydrophobicContact CB-CB 4.41Å; L82-L272 HydrophobicContact CD1-CB 3.95Å; L82-L272 HydrophobicContact CD2-CB 4.31Å; L82-L272 HydrophobicContact CG-CB 4.46Å; L82-T273 VanDerWaalsContact CD1-OG1 3.28Å; L82-T273 WeakPolarHBondContact CD1-OG1 3.47Å; L82-V276 HydrophobicContact CD2-CB 4.43Å; L82-V276 HydrophobicContact CD2-CG2 3.8Å
83	I	98.9	Very high	97.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	110.8	-179.3	-46.5	176	0	0	0	109	R67 D68 Y69 M81 C262 V263 L264 G265 Y438	R67-I83 HydrophobicContact CB-CG2 3.96Å; R67-I83 HydrophobicContact CG-CG2 4.45Å; D68-I83 CarbonylContact O-C 3.16Å; D68-I83 WeakPolarHBondContact O-CA 3.43Å; Y69-I83 HydrophobicContact CD1-CB 4.4Å; Y69-I83 HydrophobicContact CD1-CG1 3.82Å; Y69-I83 HydrophobicContact CD1-CG2 4.26Å; Y69-I83 HydrophobicContact CE1-CB 4.17Å; Y69-I83 HydrophobicContact CE1-CD1 3.86Å; Y69-I83 HydrophobicContact CE1-CG1 3.6Å; Y69-I83 HydrophobicContact CE1-CG2 3.72Å; M81-I83 HydrophobicContact CG-CG1 4.29Å; I83-C262 VanDerWaalsContact CD1-SG 3.54Å; I83-V263 PolarHBondContact N-O 3.34Å; I83-L264 HydrophobicContact CB-CB 4.01Å; I83-L264 HydrophobicContact CB-CD1 4.22Å; I83-L264 HydrophobicContact CB-CG 3.94Å; I83-L264 HydrophobicContact CD1-CB 4.49Å; I83-L264 HydrophobicContact CD1-CD1 4.29Å; I83-L264 HydrophobicContact CG2-CD1 3.98Å; I83-L264 HydrophobicContact CG2-CG 4.01Å; I83-L264 VanDerWaalsContact O-CA 3.26Å; I83-L264 WeakPolarHBondContact O-CA 3.42Å; I83-G265 PolarHBondContact O-N 3.07Å; I83-Y438 HydrophobicContact CD1-CD1 3.85Å; I83-Y438 HydrophobicContact CD1-CE1 3.83Å
84	S	98.8	Very high	97.9	Very high	9 Å²	9	21.4 Å²	21.4	6%	0.063	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.9	172.7	-168.4	0	0	0	0	109.5	R67 D68 E267	R67-S84 WeakPolarHBondContact CA-O 3.32Å; D68-S84 PolarHBondContact N-O 2.95Å; D68-S84 PolarHBondContact O-N 3.09Å; S84-E267 WeakPolarHBondContact CB-O 3.41Å; S84-E267 PolarHBondContact OG-O 3.43Å
85	D	98.6	Very high	98	Very high	6 Å²	6	21.3 Å²	21.3	3%	0.032	12%	0.116	C	C	.	.			trans	-130.3	83.4	173.4	-175	-1.4	0	0	0	109.6	R67 T87 T88 L264 G265 K432	R67-D85 HydrophobicContact CG-CB 4.02Å; D85-T87 PolarHBondContact O-N 2.88Å; D85-T87 WeakPolarHBondContact OD1-CB 3.15Å; D85-T87 PolarHBondContact OD1-N 2.6Å; D85-T87 PolarHBondContact OD1-OG1 2.75Å; D85-T88 HydrophobicContact CB-CG2 4.47Å; D85-T88 WeakPolarHBondContact O-CG2 3.47Å; D85-T88 PolarHBondContact O-N 2.88Å; D85-T88 PolarHBondContact OD1-N 2.94Å; D85-L264 HydrophobicContact CB-CD2 4.3Å; D85-G265 CarbonylContact C-O 3.47Å; D85-G265 PolarHBondContact N-O 3.24Å; D85-K432 IonicContact OD1-NZ 2.69Å; D85-K432 PolarHBondContact OD1-NZ 3.01Å; D85-K432 VanDerWaalsContact OD1-NZ 3.09Å; D85-K432 WeakPolarHBondContact OD2-CE 3.41Å; D85-K432 IonicContact OD2-NZ 3.84Å; D85-K432 PolarHBondContact OD2-NZ 2.76Å
86	P	98.4	Very high	98.2	Very high	82 Å²	82	15.8 Å²	15.8	53%	0.532	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-13.5	178.1	-27.9	36.4	0	0	0	114.7	R266	P86-R266 WeakPolarHBondContact O-CD 3.27Å; P86-R266 PolarHBondContact O-NE 3.46Å
87	T	97.5	Very high	98.4	Very high	77 Å²	77	15 Å²	15	47%	0.472	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-13.1	178.3	75.1	0	0	0	0	114.2	D85 K432 K901	D85-T87 PolarHBondContact O-N 2.88Å; D85-T87 WeakPolarHBondContact OD1-CB 3.15Å; D85-T87 PolarHBondContact OD1-N 2.6Å; D85-T87 PolarHBondContact OD1-OG1 2.75Å; T87-K432 PolarHBondContact OG1-NZ 2.99Å; T87-K901 WeakPolarHBondContact O-CE 3.34Å; T87-K901 PolarHBondContact O-NZ 2.8Å
88	T	97.8	Very high	98.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.079	C	C	.	.			trans	-66.7	146.1	-171.9	-163.2	0	0	0	0	112.6	D85 K90 L264 R266	D85-T88 HydrophobicContact CB-CG2 4.47Å; D85-T88 WeakPolarHBondContact O-CG2 3.47Å; D85-T88 PolarHBondContact O-N 2.88Å; D85-T88 PolarHBondContact OD1-N 2.94Å; T88-K90 WeakPolarHBondContact CG2-O 3.46Å; T88-K90 PolarHBondContact OG1-N 3.36Å; T88-K90 PolarHBondContact OG1-O 3.09Å; T88-L264 HydrophobicContact CG2-CD2 3.96Å; T88-R266 HydrophobicContact CG2-CG 3.98Å; T88-R266 PolarHBondContact O-NE 3.27Å; T88-R266 PolarHBondContact O-NH2 3.23Å
89	D	97.1	Very high	98.6	Very high	22 Å²	22	14.1 Å²	14.1	12%	0.118	8%	0.079	C	C	.	.	S	Bend	trans	-92.5	-22.4	174.8	-53.2	-68.1	0	0	0	111.3	H160 R266 K901 K903	D89-H160 PolarHBondContact O-N 2.96Å; D89-R266 IonicContact OD1-NH2 2.68Å; D89-K901 IonicContact OD1-NZ 3.55Å; D89-K901 PolarHBondContact OD1-NZ 3.09Å; D89-K901 WeakPolarHBondContact OD2-CB 3.39Å; D89-K901 WeakPolarHBondContact OD2-CE 3.31Å; D89-K901 WeakPolarHBondContact OD2-CG 3.32Å; D89-K901 PolarHBondContact OD2-N 3.16Å; D89-K901 IonicContact OD2-NZ 2.76Å; D89-K901 PolarHBondContact OD2-NZ 3.38Å; D89-K903 IonicContact OD2-NZ 3.24Å; D89-K903 PolarHBondContact OD2-NZ 3.1Å
90	K	98.2	Very high	98.5	Very high	22 Å²	22	11.1 Å²	11.1	10%	0.096	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.6	172.4	-67.3	-164	-175.9	-170.7	0	111.4	T88 A140 D157 V158	T88-K90 WeakPolarHBondContact CG2-O 3.46Å; T88-K90 PolarHBondContact OG1-N 3.36Å; T88-K90 PolarHBondContact OG1-O 3.09Å; K90-A140 VanDerWaalsContact CE-O 3.27Å; K90-A140 WeakPolarHBondContact CE-O 3.44Å; K90-A140 PolarHBondContact NZ-O 3.01Å; K90-D157 HydrophobicContact CB-CB 4.42Å; K90-D157 HydrophobicContact CD-CB 3.84Å; K90-D157 WeakPolarHBondContact CD-OD2 3.42Å; K90-D157 IonicContact NZ-OD1 3.53Å; K90-D157 PolarHBondContact NZ-OD1 3.25Å; K90-D157 IonicContact NZ-OD2 2.76Å; K90-D157 PolarHBondContact NZ-OD2 3.25Å; K90-V158 CarbonylContact C-O 2.94Å; K90-V158 WeakPolarHBondContact CA-O 3.46Å; K90-V158 VanDerWaalsContact CB-O 3.28Å; K90-V158 WeakPolarHBondContact CB-O 3.36Å
91	S	98.8	Very high	98.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	165.3	162.4	-62.7	0	0	0	0	109.7	D157 V158 H160 L264 G265	S91-D157 WeakPolarHBondContact O-CA 3.42Å; S91-V158 PolarHBondContact N-O 3.28Å; S91-V158 PolarHBondContact O-N 2.73Å; S91-H160 VanDerWaalsContact OG-CA 3.26Å; S91-H160 WeakPolarHBondContact OG-CA 3.25Å; S91-H160 WeakPolarHBondContact OG-CB 3.4Å; S91-L264 CarbonylContact C-O 3.57Å; S91-L264 VanDerWaalsContact CA-O 3.26Å; S91-L264 WeakPolarHBondContact CA-O 3.26Å; S91-L264 VanDerWaalsContact CB-O 3.24Å; S91-L264 WeakPolarHBondContact CB-O 3.3Å; S91-G265 WeakPolarHBondContact OG-CA 3.46Å
92	S	98.9	Very high	98.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	151.6	-177	175.7	0	0	0	0	110.8	F156 L264 R436 T439	S92-F156 VanDerWaalsContact CA-O 3.25Å; S92-F156 WeakPolarHBondContact CA-O 3.49Å; S92-F156 VanDerWaalsContact CB-O 3.24Å; S92-F156 WeakPolarHBondContact CB-O 3.26Å; S92-F156 PolarHBondContact OG-O 3.11Å; S92-L264 PolarHBondContact N-O 3.43Å; S92-L264 PolarHBondContact O-N 2.91Å; S92-R436 WeakPolarHBondContact OG-CA 3.31Å; S92-T439 WeakPolarHBondContact OG-CG2 3.21Å; S92-T439 PolarHBondContact OG-OG1 2.9Å
93	A	98.9	Very high	98.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	161.6	160.7	0	0	0	0	0	111.3	Y155 F156 L167 C262 V263	A93-Y155 WeakPolarHBondContact O-CA 3.17Å; A93-F156 HydrophobicContact CB-CD1 4.48Å; A93-F156 HydrophobicContact CB-CE1 3.7Å; A93-F156 HydrophobicContact CB-CZ 3.78Å; A93-F156 PolarHBondContact N-O 2.89Å; A93-F156 PolarHBondContact O-N 3.49Å; A93-L167 HydrophobicContact CB-CD1 3.52Å; A93-C262 CarbonylContact C-O 3.57Å; A93-C262 WeakPolarHBondContact CA-O 3.45Å; A93-C262 WeakPolarHBondContact CB-O 3.32Å; A93-V263 HydrophobicContact CB-CB 4.45Å; A93-V263 HydrophobicContact CB-CG1 4.4Å; A93-V263 HydrophobicContact CB-CG2 3.99Å
94	A	98.9	Very high	98.4	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	145.6	170.6	0	0	0	0	0	110.6	Y154 L261 C262 T439 S440 A443	A94-Y154 CarbonylContact C-O 3.55Å; A94-Y154 WeakPolarHBondContact CA-O 3.41Å; A94-Y154 WeakPolarHBondContact CB-O 3.33Å; A94-L261 CarbonylContact O-C 3.53Å; A94-L261 WeakPolarHBondContact O-CA 3.36Å; A94-L261 WeakPolarHBondContact O-CD1 3.3Å; A94-C262 PolarHBondContact N-O 3.44Å; A94-C262 PolarHBondContact O-N 2.9Å; A94-T439 VanDerWaalsContact CB-C 3.43Å; A94-S440 VanDerWaalsContact CB-CA 3.48Å; A94-S440 VanDerWaalsContact CB-N 3.35Å; A94-A443 HydrophobicContact CB-CB 4.06Å
95	L	98.9	Very high	98.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.5	171.5	-169.6	157.2	0	0	0	108.6	V97 Y154 F170 F174 M259 G260 L261 F280	L95-V97 HydrophobicContact CD2-CG2 3.6Å; L95-Y154 PolarHBondContact N-O 3.26Å; L95-Y154 PolarHBondContact O-N 2.91Å; L95-F170 HydrophobicContact CB-CE1 3.82Å; L95-F170 HydrophobicContact CB-CZ 3.93Å; L95-F174 HydrophobicContact CB-CE1 4.47Å; L95-F174 HydrophobicContact CB-CE2 4.1Å; L95-F174 HydrophobicContact CB-CZ 3.93Å; L95-F174 HydrophobicContact CD1-CD1 4.29Å; L95-F174 HydrophobicContact CD1-CD2 3.85Å; L95-F174 HydrophobicContact CD1-CE1 4.43Å; L95-F174 HydrophobicContact CD1-CE2 3.98Å; L95-F174 HydrophobicContact CD1-CG 4.01Å; L95-F174 HydrophobicContact CD1-CZ 4.28Å; L95-F174 HydrophobicContact CD2-CD1 3.92Å; L95-F174 HydrophobicContact CD2-CE1 3.71Å; L95-F174 HydrophobicContact CD2-CG 4.47Å; L95-F174 HydrophobicContact CD2-CZ 4.05Å; L95-F174 HydrophobicContact CG-CE1 4.43Å; L95-F174 HydrophobicContact CG-CE2 4.45Å; L95-F174 HydrophobicContact CG-CZ 4.31Å; L95-M259 HydrophobicContact CD1-SD 4.04Å; L95-M259 HydrophobicContact CD2-CB 4.1Å; L95-M259 HydrophobicContact CD2-CG 3.9Å; L95-M259 HydrophobicContact CD2-SD 4.02Å; L95-M259 HydrophobicContact CG-CB 4.45Å; L95-G260 WeakPolarHBondContact CA-O 3.28Å; L95-L261 HydrophobicContact CB-CD1 4Å; L95-L261 HydrophobicContact CD1-CD1 4.17Å; L95-L261 HydrophobicContact CG-CD1 4.36Å; L95-F280 HydrophobicContact CD1-CD1 3.93Å; L95-F280 HydrophobicContact CD1-CE1 3.69Å
96	D	98.9	Very high	98	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.021	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.1	176.8	-172.5	-68.6	0	0	0	109.7	H151 N153 M259 G260 A443 H447	D96-H151 IonicContact OD1-CE1 3.17Å; D96-H151 IonicContact OD1-CG 2.7Å; D96-H151 IonicContact OD1-ND1 2.79Å; D96-H151 PolarHBondContact OD1-ND1 3.03Å; D96-H151 IonicContact OD2-CG 2.94Å; D96-H151 IonicContact OD2-ND1 3.76Å; D96-N153 WeakPolarHBondContact OD2-CB 3.3Å; D96-N153 PolarHBondContact OD2-ND2 3.26Å; D96-M259 WeakPolarHBondContact O-CA 3.49Å; D96-G260 PolarHBondContact N-O 3.47Å; D96-G260 PolarHBondContact O-N 2.94Å; D96-A443 HydrophobicContact CB-CB 3.83Å; D96-H447 PolarHBondContact O-NE2 2.82Å; D96-H447 IonicContact OD1-CD2 2.75Å; D96-H447 PolarHBondContact OD1-CD2 3.05Å; D96-H447 VanDerWaalsContact OD1-CD2 3.24Å; D96-H447 IonicContact OD1-CE1 3.21Å; D96-H447 IonicContact OD1-NE2 2.94Å; D96-H447 PolarHBondContact OD1-NE2 3.35Å
97	V	98.9	Very high	97.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.5	172	-170.9	0	0	0	0	108.1	L95 I99 H151 T152 F174 Y254 L258 M259	L95-V97 HydrophobicContact CD2-CG2 3.6Å; V97-I99 HydrophobicContact CG1-CB 4.37Å; V97-I99 PolarHBondContact O-N 2.85Å; V97-H151 CarbonylContact O-C 3.11Å; V97-H151 WeakPolarHBondContact O-CA 3.37Å; V97-T152 PolarHBondContact N-O 3.27Å; V97-T152 PolarHBondContact O-N 3.48Å; V97-F174 HydrophobicContact CG2-CD1 4.48Å; V97-F174 HydrophobicContact CG2-CE1 4.37Å; V97-Y254 HydrophobicContact CG2-CD1 4.03Å; V97-Y254 HydrophobicContact CG2-CE1 3.89Å; V97-L258 WeakPolarHBondContact CA-O 3.26Å; V97-M259 HydrophobicContact CG2-CE 4.2Å; V97-M259 HydrophobicContact CG2-CG 4.36Å
98	H	98.6	Very high	97.8	Very high	11 Å²	11	13.9 Å²	13.9	5%	0.051	9%	0.09	C	C	.	.	S	Bend	trans	-76	46.4	178.3	-151.3	128.5	0	0	0	112.6	E150 H151 L258 H447	H98-E150 CarbonylContact C-O 3.57Å; H98-E150 WeakPolarHBondContact CA-O 3.48Å; H98-H151 AromaticContact CD2-CE1 3.93Å; H98-H151 AromaticContact CE1-CE1 3.59Å; H98-H151 AromaticContact CE1-NE2 3.84Å; H98-H151 AromaticContact CG-CE1 3.67Å; H98-H151 AromaticContact ND1-CE1 3.46Å; H98-H151 PolarHBondContact ND1-CE1 3.4Å; H98-H151 AromaticContact NE2-CE1 3.93Å; H98-H151 AromaticContact NE2-NE2 3.89Å; H98-L258 HydrophobicContact CB-CB 4.3Å; H98-L258 PolarHBondContact N-O 3.1Å; H98-H447 VanDerWaalsContact ND1-CB 3.33Å; H98-H447 WeakPolarHBondContact ND1-CB 3.31Å; H98-H447 AromaticContact ND1-CD2 3.67Å; H98-H447 AromaticContact ND1-CG 3.19Å; H98-H447 AromaticContact ND1-ND1 3.47Å; H98-H447 PolarHBondContact ND1-ND1 3.44Å
99	I	98.6	Very high	97.7	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	10%	0.095	C	C	.	.			trans	-137.3	137.3	168	-81.8	-73.7	0	0	0	108.7	V97 S103 E150 H151 T152 F249 Y253 L258 P291	V97-I99 HydrophobicContact CG1-CB 4.37Å; V97-I99 PolarHBondContact O-N 2.85Å; I99-S103 VanDerWaalsContact CD1-OG 3.25Å; I99-S103 WeakPolarHBondContact CD1-OG 3.47Å; I99-E150 CarbonylContact C-O 3.51Å; I99-E150 VanDerWaalsContact C-O 3.29Å; I99-E150 VanDerWaalsContact CA-O 3.29Å; I99-E150 WeakPolarHBondContact CA-O 3.44Å; I99-E150 PolarHBondContact N-O 2.91Å; I99-H151 CarbonylContact O-C 3.5Å; I99-T152 PolarHBondContact O-N 2.86Å; I99-T152 VanDerWaalsContact O-N 3.1Å; I99-T152 PolarHBondContact O-OG1 3.28Å; I99-F249 HydrophobicContact CG2-CE1 3.87Å; I99-F249 HydrophobicContact CG2-CZ 3.54Å; I99-Y253 HydrophobicContact CD1-CD1 3.45Å; I99-Y253 VanDerWaalsContact CD1-CD1 3.45Å; I99-Y253 HydrophobicContact CD1-CE1 3.75Å; I99-Y253 HydrophobicContact CD1-CG 4.06Å; I99-Y253 HydrophobicContact CG1-CD1 3.67Å; I99-Y253 HydrophobicContact CG1-CE1 4.46Å; I99-Y253 HydrophobicContact CG1-CG 3.96Å; I99-Y253 HydrophobicContact CG2-CD1 4.46Å; I99-Y253 HydrophobicContact CG2-CD2 4.37Å; I99-Y253 HydrophobicContact CG2-CG 4.02Å; I99-L258 HydrophobicContact CG1-CD1 3.93Å; I99-P291 HydrophobicContact CD1-CG 3.59Å
100	G	98.3	Very high	97.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	9%	0.089	C	C	.	.			trans	-145.5	-162.1	175	0	0	0	0	0	112.1	L102 S103 G149	G100-L102 PolarHBondContact O-N 2.96Å; G100-L102 VanDerWaalsContact O-N 3.1Å; G100-S103 PolarHBondContact O-N 2.97Å; G100-G149 CarbonylContact C-O 3.54Å; G100-G149 WeakPolarHBondContact CA-O 3.31Å
101	S	98.3	Very high	97.8	Very high	13 Å²	13	12.4 Å²	12.4	9%	0.091	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-60.4	-20.3	-172.4	56.7	0	0	0	0	115.6	S103 D104 S148 G149 K222 G224	S101-S103 PolarHBondContact O-N 3.35Å; S101-D104 WeakPolarHBondContact O-CB 3.47Å; S101-D104 PolarHBondContact O-N 3.48Å; S101-D104 VanDerWaalsContact O-N 3.15Å; S101-S148 PolarHBondContact N-O 2.67Å; S101-S148 PolarHBondContact OG-O 3.28Å; S101-G149 PolarHBondContact N-O 3.39Å; S101-K222 WeakPolarHBondContact O-CD 3.5Å; S101-G224 VanDerWaalsContact CB-CA 3.48Å
102	L	98.3	Very high	97.8	Very high	5 Å²	5	12.4 Å²	12.4	3%	0.026	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-63.8	-19.7	171.9	-63.7	176.1	0	0	0	112.2	G100 G149 E150 P219 K222 F293 A372	G100-L102 PolarHBondContact O-N 2.96Å; G100-L102 VanDerWaalsContact O-N 3.1Å; L102-G149 VanDerWaalsContact CB-O 3.31Å; L102-G149 WeakPolarHBondContact CB-O 3.41Å; L102-G149 WeakPolarHBondContact CG-O 3.35Å; L102-G149 PolarHBondContact N-O 3.46Å; L102-E150 HydrophobicContact CD1-CG 3.87Å; L102-P219 HydrophobicContact CB-CB 4.48Å; L102-P219 HydrophobicContact CD2-CB 4.41Å; L102-P219 VanDerWaalsContact CD2-O 3.29Å; L102-P219 WeakPolarHBondContact CD2-O 3.42Å; L102-K222 PolarHBondContact O-NZ 2.82Å; L102-F293 HydrophobicContact CB-CE1 4.21Å; L102-F293 HydrophobicContact CB-CE2 4.27Å; L102-F293 HydrophobicContact CB-CZ 3.66Å; L102-F293 HydrophobicContact CD1-CD2 4.29Å; L102-F293 HydrophobicContact CD1-CE2 3.81Å; L102-F293 HydrophobicContact CD1-CZ 4.01Å; L102-F293 HydrophobicContact CG-CZ 4.46Å; L102-A372 HydrophobicContact CD1-CB 3.57Å
103	S	98.3	Very high	97.8	Very high	19 Å²	19	13.2 Å²	13.2	13%	0.133	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-99.5	4.9	176.7	-64.5	0	0	0	0	114.7	I99 G100 S101	I99-S103 VanDerWaalsContact CD1-OG 3.25Å; I99-S103 WeakPolarHBondContact CD1-OG 3.47Å; G100-S103 PolarHBondContact O-N 2.97Å; S101-S103 PolarHBondContact O-N 3.35Å
104	D	98.4	Very high	97.8	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.016	9%	0.088	C	C	.	.	S	Bend	trans	-54.6	144.2	173.4	-74.8	-22.3	0	0	0	111.8	S101 G110 L111 A112 K222	S101-D104 WeakPolarHBondContact O-CB 3.47Å; S101-D104 PolarHBondContact O-N 3.48Å; S101-D104 VanDerWaalsContact O-N 3.15Å; D104-G110 WeakPolarHBondContact OD2-CA 3.45Å; D104-G110 PolarHBondContact OD2-N 2.79Å; D104-L111 PolarHBondContact OD1-N 3.26Å; D104-A112 VanDerWaalsContact OD1-CB 3.3Å; D104-A112 WeakPolarHBondContact OD1-CB 3.44Å; D104-A112 PolarHBondContact OD1-N 3.02Å; D104-K222 HydrophobicContact CB-CD 4.4Å; D104-K222 PolarHBondContact O-NZ 3.03Å
105	P	97.1	Very high	97.8	Very high	32 Å²	32	13.2 Å²	13.2	21%	0.208	9%	0.088	C	C	.	.			trans	-57	139.9	169.1	-23.5	35	0	0	0	111.3	N107 I108 L111	P105-N107 PolarHBondContact O-N 2.91Å; P105-N107 VanDerWaalsContact O-N 3.07Å; P105-I108 HydrophobicContact CB-CB 4.15Å; P105-I108 HydrophobicContact CB-CD1 4.27Å; P105-I108 HydrophobicContact CB-CG1 4.17Å; P105-I108 HydrophobicContact CG-CB 4.4Å; P105-I108 HydrophobicContact CG-CD1 4.37Å; P105-I108 CarbonylContact O-C 3.56Å; P105-I108 PolarHBondContact O-N 2.74Å; P105-L111 HydrophobicContact CG-CD2 3.62Å
106	A	91.9	Very high	97.7	Very high	96 Å²	96	13.9 Å²	13.9	79%	0.793	9%	0.091	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.7	-173.3	0	0	0	0	0	114.1
107	N	93.3	Very high	97.7	Very high	63 Å²	63	14.4 Å²	14.4	34%	0.337	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-12.2	174.3	59.5	-44	0	0	0	114.1	P105	P105-N107 PolarHBondContact O-N 2.91Å; P105-N107 VanDerWaalsContact O-N 3.07Å
108	I	96.7	Very high	97.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-129.5	70.7	-171.4	-41.2	174.5	0	0	0	110.4	P105 G110 L111 L231 V240 I242 E245	P105-I108 HydrophobicContact CB-CB 4.15Å; P105-I108 HydrophobicContact CB-CD1 4.27Å; P105-I108 HydrophobicContact CB-CG1 4.17Å; P105-I108 HydrophobicContact CG-CB 4.4Å; P105-I108 HydrophobicContact CG-CD1 4.37Å; P105-I108 CarbonylContact O-C 3.56Å; P105-I108 PolarHBondContact O-N 2.74Å; I108-G110 PolarHBondContact O-N 3.29Å; I108-L111 HydrophobicContact CG2-CB 4.07Å; I108-L111 HydrophobicContact CG2-CD1 4.23Å; I108-L111 PolarHBondContact O-N 3.02Å; I108-L231 HydrophobicContact CG2-CD2 4.24Å; I108-V240 HydrophobicContact CD1-CG1 3.93Å; I108-I242 HydrophobicContact CD1-CD1 4Å; I108-I242 HydrophobicContact CG1-CD1 4.45Å; I108-I242 HydrophobicContact CG2-CD1 3.54Å; I108-E245 HydrophobicContact CD1-CB 3.98Å; I108-E245 HydrophobicContact CD1-CG 3.56Å
109	S	97.4	Very high	97.7	Very high	13 Å²	13	13.9 Å²	13.9	9%	0.091	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	130.5	179.4	-37.7	0	0	0	0	111.5	F223 G226 T230	S109-F223 VanDerWaalsContact CB-O 3.31Å; S109-F223 WeakPolarHBondContact CB-O 3.46Å; S109-G226 VanDerWaalsContact O-CA 3.3Å; S109-G226 WeakPolarHBondContact O-CA 3.14Å; S109-T230 WeakPolarHBondContact O-CB 3.41Å; S109-T230 PolarHBondContact O-OG1 2.68Å
110	G	98.1	Very high	97.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	9.8	-176.2	0	0	0	0	0	115.7	D104 I108 A112 H113 F114	D104-G110 WeakPolarHBondContact OD2-CA 3.45Å; D104-G110 PolarHBondContact OD2-N 2.79Å; I108-G110 PolarHBondContact O-N 3.29Å; G110-A112 VanDerWaalsContact C-N 3.32Å; G110-A112 PolarHBondContact O-N 3.18Å; G110-H113 PolarHBondContact O-N 2.94Å; G110-F114 PolarHBondContact O-N 3.49Å
111	L	98.6	Very high	97.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.6	-36.6	-177.8	-173.1	62.6	0	0	0	112.7	D104 P105 I108 F114 C115 E245 L246 F249	D104-L111 PolarHBondContact OD1-N 3.26Å; P105-L111 HydrophobicContact CG-CD2 3.62Å; I108-L111 HydrophobicContact CG2-CB 4.07Å; I108-L111 HydrophobicContact CG2-CD1 4.23Å; I108-L111 PolarHBondContact O-N 3.02Å; L111-F114 PolarHBondContact O-N 3Å; L111-C115 VanDerWaalsContact O-CB 3.28Å; L111-C115 WeakPolarHBondContact O-CB 3.5Å; L111-C115 PolarHBondContact O-N 3.24Å; L111-E245 HydrophobicContact CD2-CB 4.09Å; L111-L246 HydrophobicContact CD1-CD2 3.66Å; L111-L246 HydrophobicContact CD1-CG 3.93Å; L111-F249 HydrophobicContact CD2-CB 3.98Å; L111-F249 HydrophobicContact CD2-CD2 3.99Å; L111-F249 HydrophobicContact CD2-CG 4.2Å; L111-F249 HydrophobicContact CG-CB 4.42Å; L111-F249 HydrophobicContact CG-CD2 4.37Å; L111-F249 HydrophobicContact CG-CG 4.39Å
112	A	98.6	Very high	97.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61	-45	174.7	0	0	0	0	0	112	D104 G110 C115 E116 T147 F249	D104-A112 VanDerWaalsContact OD1-CB 3.3Å; D104-A112 WeakPolarHBondContact OD1-CB 3.44Å; D104-A112 PolarHBondContact OD1-N 3.02Å; G110-A112 VanDerWaalsContact C-N 3.32Å; G110-A112 PolarHBondContact O-N 3.18Å; A112-C115 WeakPolarHBondContact O-CB 3.46Å; A112-C115 PolarHBondContact O-N 3.2Å; A112-E116 PolarHBondContact O-N 2.84Å; A112-T147 HydrophobicContact CB-CG2 3.92Å; A112-F249 HydrophobicContact CB-CE1 3.96Å; A112-F249 HydrophobicContact CB-CZ 3.65Å
113	H	98.7	Very high	97.4	Very high	18 Å²	18	15.9 Å²	15.9	8%	0.083	10%	0.101	C	C	.	.	H	α-helix	trans	-69.8	-36.2	178.3	179.4	-126.5	0	0	0	112.2	G110 E116 H117 T147 T225	G110-H113 PolarHBondContact O-N 2.94Å; H113-E116 IonicContact CD2-OE2 2.76Å; H113-E116 VanDerWaalsContact O-CB 3.28Å; H113-E116 WeakPolarHBondContact O-CB 3.49Å; H113-E116 PolarHBondContact O-N 2.94Å; H113-H117 AromaticContact CE1-NE2 3.79Å; H113-H117 AromaticContact NE2-CD2 3.78Å; H113-H117 AromaticContact NE2-NE2 3.59Å; H113-H117 PolarHBondContact O-N 3.49Å; H113-T147 WeakPolarHBondContact CA-OG1 3.36Å; H113-T147 HydrophobicContact CB-CG2 4.25Å; H113-T225 PolarHBondContact ND1-O 3.19Å
114	F	98.6	Very high	97.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-71.1	-33.4	173.7	-168.4	-145.9	0	0	0	112.2	G110 L111 E116 H117 M118 K184 V188 V191 L231 I242 L246	G110-F114 PolarHBondContact O-N 3.49Å; L111-F114 PolarHBondContact O-N 3Å; F114-E116 VanDerWaalsContact C-N 3.34Å; F114-H117 PolarHBondContact O-N 2.77Å; F114-M118 HydrophobicContact CD2-CG 4.11Å; F114-M118 HydrophobicContact CE2-CG 3.91Å; F114-M118 HydrophobicContact CE2-SD 4.1Å; F114-M118 HydrophobicContact CZ-CG 4.25Å; F114-M118 HydrophobicContact CZ-SD 4.29Å; F114-M118 WeakPolarHBondContact O-CB 3.47Å; F114-M118 VanDerWaalsContact O-CG 3.24Å; F114-M118 WeakPolarHBondContact O-CG 3.32Å; F114-M118 PolarHBondContact O-N 3.19Å; F114-M118 VanDerWaalsContact O-N 3.07Å; F114-K184 HydrophobicContact CE1-CG 3.99Å; F114-K184 HydrophobicContact CZ-CB 4.41Å; F114-K184 HydrophobicContact CZ-CG 3.88Å; F114-V188 HydrophobicContact CE2-CB 4.09Å; F114-V188 HydrophobicContact CZ-CB 3.84Å; F114-V188 HydrophobicContact CZ-CG2 4.46Å; F114-V191 HydrophobicContact CD2-CG2 4.03Å; F114-L231 HydrophobicContact CB-CD1 3.83Å; F114-L231 HydrophobicContact CB-CD2 3.98Å; F114-L231 HydrophobicContact CD1-CB 4.33Å; F114-L231 HydrophobicContact CD1-CD1 4.24Å; F114-L231 HydrophobicContact CD1-CD2 4.07Å; F114-L231 HydrophobicContact CD1-CG 4.44Å; F114-L231 HydrophobicContact CD2-CD1 4.48Å; F114-L231 HydrophobicContact CG-CD1 3.96Å; F114-L231 HydrophobicContact CG-CD2 4.34Å; F114-I242 HydrophobicContact CD1-CG2 4.23Å; F114-I242 HydrophobicContact CE1-CG2 3.89Å; F114-L246 HydrophobicContact CD1-CD1 4.15Å; F114-L246 HydrophobicContact CD1-CD2 4.32Å; F114-L246 HydrophobicContact CE1-CD1 4.09Å
115	C	98.6	Very high	97.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-43.7	169.4	-167.2	0	0	0	0	111	L111 A112 H117 M118 L119 L246 F249	L111-C115 VanDerWaalsContact O-CB 3.28Å; L111-C115 WeakPolarHBondContact O-CB 3.5Å; L111-C115 PolarHBondContact O-N 3.24Å; A112-C115 WeakPolarHBondContact O-CB 3.46Å; A112-C115 PolarHBondContact O-N 3.2Å; C115-H117 PolarHBondContact O-N 3.42Å; C115-M118 PolarHBondContact O-N 2.9Å; C115-L119 WeakPolarHBondContact O-CG 3.44Å; C115-L119 PolarHBondContact O-N 3.32Å; C115-L246 HydrophobicContact CB-CD2 3.8Å; C115-F249 HydrophobicContact CB-CD1 4.38Å
116	E	98.6	Very high	97.4	Very high	13 Å²	13	27.3 Å²	27.3	6%	0.061	15%	0.146	C	C	.	.	H	α-helix	trans	-50.1	-58.8	173.2	-169.9	-148.1	128.6	0	0	112.2	A112 H113 F114 M118 L119 F120 A145 F146 T147 T152 Y154	A112-E116 PolarHBondContact O-N 2.84Å; H113-E116 IonicContact CD2-OE2 2.76Å; H113-E116 VanDerWaalsContact O-CB 3.28Å; H113-E116 WeakPolarHBondContact O-CB 3.49Å; H113-E116 PolarHBondContact O-N 2.94Å; F114-E116 VanDerWaalsContact C-N 3.34Å; E116-M118 VanDerWaalsContact C-N 3.31Å; E116-M118 PolarHBondContact O-N 2.69Å; E116-L119 PolarHBondContact O-N 2.74Å; E116-F120 VanDerWaalsContact O-CD2 3.28Å; E116-F120 WeakPolarHBondContact O-CD2 3.22Å; E116-A145 HydrophobicContact CG-CB 3.61Å; E116-A145 WeakPolarHBondContact OE1-CB 3.2Å; E116-F146 WeakPolarHBondContact OE2-CA 3.48Å; E116-T147 PolarHBondContact OE2-N 3.32Å; E116-T147 PolarHBondContact OE2-OG1 3.25Å; E116-T152 HydrophobicContact CB-CG2 3.93Å; E116-T152 HydrophobicContact CG-CG2 3.85Å; E116-Y154 WeakPolarHBondContact CA-OH 3.42Å; E116-Y154 HydrophobicContact CB-CE1 4.33Å; E116-Y154 HydrophobicContact CG-CD1 4.35Å; E116-Y154 HydrophobicContact CG-CE1 3.73Å
117	H	98	Very high	97.7	Very high	15 Å²	15	26.9 Å²	26.9	7%	0.069	14%	0.136	C	C	.	.	H	α-helix	trans	-53.9	-46.3	177.8	-89.2	-119.5	0	0	0	112.2	H113 F114 C115 L119 F120 E187 R829	H113-H117 AromaticContact CE1-NE2 3.79Å; H113-H117 AromaticContact NE2-CD2 3.78Å; H113-H117 AromaticContact NE2-NE2 3.59Å; H113-H117 PolarHBondContact O-N 3.49Å; F114-H117 PolarHBondContact O-N 2.77Å; C115-H117 PolarHBondContact O-N 3.42Å; H117-L119 PolarHBondContact O-N 2.94Å; H117-F120 PolarHBondContact O-N 3.1Å; H117-E187 HydrophobicContact CB-CG 3.96Å; H117-E187 IonicContact CE1-OE1 3.69Å; H117-E187 IonicContact ND1-OE1 2.72Å; H117-E187 PolarHBondContact ND1-OE1 2.87Å; H117-R829 PolarHBondContact CE1-NH2 3.44Å; H117-R829 VanDerWaalsContact CE1-NH2 3.28Å
118	M	98.3	Very high	97.8	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-71.3	-23.6	-171.8	-72.9	-66.6	-62.7	0	0	114.5	F114 C115 E116 F120 L121 F179 C183 K184 E187 L246	F114-M118 HydrophobicContact CD2-CG 4.11Å; F114-M118 HydrophobicContact CE2-CG 3.91Å; F114-M118 HydrophobicContact CE2-SD 4.1Å; F114-M118 HydrophobicContact CZ-CG 4.25Å; F114-M118 HydrophobicContact CZ-SD 4.29Å; F114-M118 WeakPolarHBondContact O-CB 3.47Å; F114-M118 VanDerWaalsContact O-CG 3.24Å; F114-M118 WeakPolarHBondContact O-CG 3.32Å; F114-M118 PolarHBondContact O-N 3.19Å; F114-M118 VanDerWaalsContact O-N 3.07Å; C115-M118 PolarHBondContact O-N 2.9Å; E116-M118 VanDerWaalsContact C-N 3.31Å; E116-M118 PolarHBondContact O-N 2.69Å; M118-F120 PolarHBondContact O-N 3.18Å; M118-L121 PolarHBondContact O-N 2.64Å; M118-L121 VanDerWaalsContact O-N 3.15Å; M118-L121 HydrophobicContact SD-CD1 3.97Å; M118-F179 HydrophobicContact CB-CD1 3.64Å; M118-F179 HydrophobicContact CB-CE1 3.82Å; M118-F179 HydrophobicContact CE-CB 4.49Å; M118-F179 HydrophobicContact CE-CD1 4.47Å; M118-F179 HydrophobicContact CG-CD1 4.39Å; M118-C183 HydrophobicContact CE-CB 3.94Å; M118-C183 HydrophobicContact SD-CB 4.48Å; M118-K184 HydrophobicContact CE-CB 3.98Å; M118-K184 HydrophobicContact SD-CB 4.41Å; M118-E187 HydrophobicContact SD-CB 4.39Å; M118-L246 HydrophobicContact CG-CD1 4.22Å
119	L	98.4	Very high	97.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.1	-26.3	177.1	-58.7	-164.3	0	0	0	112.7	C115 E116 H117 L121 Y154 F173 P177 F179 Y254	C115-L119 WeakPolarHBondContact O-CG 3.44Å; C115-L119 PolarHBondContact O-N 3.32Å; E116-L119 PolarHBondContact O-N 2.74Å; H117-L119 PolarHBondContact O-N 2.94Å; L119-L121 PolarHBondContact O-N 3.06Å; L119-Y154 HydrophobicContact CB-CE1 4.27Å; L119-Y154 HydrophobicContact CD1-CE1 3.89Å; L119-Y154 HydrophobicContact CD1-CE2 4.31Å; L119-Y154 WeakPolarHBondContact CD1-OH 3.45Å; L119-Y154 HydrophobicContact CG-CE1 4.3Å; L119-F173 HydrophobicContact CB-CB 4.09Å; L119-F173 HydrophobicContact CB-CD2 3.67Å; L119-F173 HydrophobicContact CB-CE2 4.25Å; L119-F173 HydrophobicContact CB-CG 3.92Å; L119-F173 HydrophobicContact CD1-CB 3.94Å; L119-F173 HydrophobicContact CD1-CD2 4.48Å; L119-F173 WeakPolarHBondContact O-CD1 3.42Å; L119-F173 WeakPolarHBondContact O-CE1 3.48Å; L119-F173 WeakPolarHBondContact O-CZ 3.4Å; L119-P177 HydrophobicContact CD2-CB 3.63Å; L119-P177 HydrophobicContact CD2-CG 3.8Å; L119-F179 HydrophobicContact CD2-CE1 3.8Å; L119-F179 HydrophobicContact CD2-CZ 3.61Å; L119-Y254 HydrophobicContact CD1-CD1 4.42Å; L119-Y254 HydrophobicContact CD1-CE1 3.81Å
120	F	97.6	Very high	97.5	Very high	30 Å²	30	30.2 Å²	30.2	13%	0.132	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-14.5	176.8	-67.3	-95.3	0	0	0	113.7	E116 H117 M118 Y132 A145 Y154 F173	E116-F120 VanDerWaalsContact O-CD2 3.28Å; E116-F120 WeakPolarHBondContact O-CD2 3.22Å; H117-F120 PolarHBondContact O-N 3.1Å; M118-F120 PolarHBondContact O-N 3.18Å; F120-Y132 AromaticContact CD1-CD1 3.9Å; F120-Y132 HydrophobicContact CD1-CD1 3.9Å; F120-Y132 AromaticContact CD1-CE1 3.83Å; F120-Y132 HydrophobicContact CD1-CE1 3.83Å; F120-Y132 HydrophobicContact CE1-CD1 4.38Å; F120-Y132 AromaticContact CE1-CE1 3.84Å; F120-Y132 HydrophobicContact CE1-CE1 3.84Å; F120-A145 HydrophobicContact CE2-CB 3.92Å; F120-A145 HydrophobicContact CZ-CB 3.78Å; F120-Y154 AromaticContact CE2-CD1 3.91Å; F120-Y154 HydrophobicContact CE2-CD1 3.91Å; F120-Y154 HydrophobicContact CE2-CE1 4.15Å; F120-Y154 HydrophobicContact CZ-CD1 4.1Å; F120-F173 AromaticContact CD1-CE2 3.98Å; F120-F173 HydrophobicContact CD1-CE2 3.98Å; F120-F173 HydrophobicContact CD1-CZ 4.09Å; F120-F173 HydrophobicContact CD2-CE2 4.4Å; F120-F173 HydrophobicContact CE1-CE2 4.17Å; F120-F173 HydrophobicContact CG-CE2 4.11Å; F120-F173 HydrophobicContact CG-CZ 4.3Å; F120-F173 HydrophobicContact CZ-CE2 4.45Å
121	L	96.1	Very high	97.5	Very high	19 Å²	19	32 Å²	32	10%	0.099	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	20.6	-166.4	-56.3	-176.4	0	0	0	114.7	M118 L119 E129 C183 E187 T830	M118-L121 PolarHBondContact O-N 2.64Å; M118-L121 VanDerWaalsContact O-N 3.15Å; M118-L121 HydrophobicContact SD-CD1 3.97Å; L119-L121 PolarHBondContact O-N 3.06Å; L121-E129 HydrophobicContact CB-CG 4.37Å; L121-E129 HydrophobicContact CD2-CG 4.14Å; L121-C183 HydrophobicContact CB-CB 4.17Å; L121-C183 HydrophobicContact CD1-CB 3.96Å; L121-E187 HydrophobicContact CD1-CB 3.78Å; L121-E187 HydrophobicContact CD1-CG 4Å; L121-T830 HydrophobicContact CD2-CG2 3.75Å
122	G	96.9	Very high	97.5	Very high	7 Å²	7	32.4 Å²	32.4	7%	0.072	16%	0.157	C	C	.	.			trans	122.9	148.1	166.9	0	0	0	0	0	115.2	L178	G122-L178 PolarHBondContact O-N 3.44Å
123	T	98.3	Very high	97.4	Very high	4 Å²	4	34.3 Å²	34.3	3%	0.025	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-134.6	163.1	-176.4	56.5	0	0	0	0	110.1	K125 Y126 P127 Q172 F173 C176	T123-K125 VanDerWaalsContact C-N 3.26Å; T123-K125 PolarHBondContact O-N 3.34Å; T123-Y126 PolarHBondContact N-O 3.08Å; T123-Y126 CarbonylContact O-C 3.47Å; T123-Y126 PolarHBondContact O-N 2.93Å; T123-Y126 PolarHBondContact OG1-N 3.46Å; T123-P127 WeakPolarHBondContact O-CA 3.3Å; T123-Q172 HydrophobicContact CG2-CB 3.66Å; T123-Q172 WeakPolarHBondContact OG1-CB 3.49Å; T123-F173 HydrophobicContact CG2-CD1 4.15Å; T123-C176 CarbonylContact C-O 3.6Å; T123-C176 VanDerWaalsContact CA-O 3.3Å; T123-C176 WeakPolarHBondContact CA-O 3.49Å; T123-C176 WeakPolarHBondContact CB-O 3.32Å
124	E	97.6	Very high	97.3	Very high	145 Å²	145	36 Å²	36	68%	0.678	18%	0.178	S	C	*	.	S	Bend	trans	-55.9	-40.4	-176.5	-168.1	-178.1	177.4	0	0	112.9	C176	E124-C176 HydrophobicContact CB-CB 4.06Å; E124-C176 PolarHBondContact N-O 3.39Å
125	K	98	Very high	97.2	Very high	103 Å²	103	37.1 Å²	37.1	45%	0.448	18%	0.183	S	C	.	.	S	Bend	trans	-77.5	-27.5	177.6	-174.9	179.5	175.2	-177.1	0	113.5	T123 D168 Q172	T123-K125 VanDerWaalsContact C-N 3.26Å; T123-K125 PolarHBondContact O-N 3.34Å; K125-D168 IonicContact NZ-OD1 2.71Å; K125-D168 PolarHBondContact NZ-OD1 3.29Å; K125-D168 IonicContact NZ-OD2 3.54Å; K125-D168 PolarHBondContact NZ-OD2 3.13Å; K125-Q172 HydrophobicContact CB-CG 4.13Å; K125-Q172 HydrophobicContact CD-CG 4.12Å
126	Y	98.1	Very high	97.2	Very high	46 Å²	46	37.2 Å²	37.2	18%	0.18	18%	0.184	C	C	.	.	S	Bend	trans	-130.3	75.3	176.9	-59.1	-75.1	0	0	0	110.2	T123 K128 E131 D168 R169 Q172	T123-Y126 PolarHBondContact N-O 3.08Å; T123-Y126 CarbonylContact O-C 3.47Å; T123-Y126 PolarHBondContact O-N 2.93Å; T123-Y126 PolarHBondContact OG1-N 3.46Å; Y126-K128 VanDerWaalsContact C-N 3.27Å; Y126-K128 PolarHBondContact O-N 3.28Å; Y126-E131 HydrophobicContact CD1-CG 4.15Å; Y126-D168 PolarHBondContact OH-OD2 3.03Å; Y126-R169 HydrophobicContact CD1-CG 4.02Å; Y126-R169 HydrophobicContact CD2-CB 4.18Å; Y126-R169 HydrophobicContact CD2-CG 3.71Å; Y126-R169 HydrophobicContact CE1-CG 3.91Å; Y126-R169 HydrophobicContact CE2-CB 4.17Å; Y126-R169 HydrophobicContact CE2-CG 3.59Å; Y126-R169 HydrophobicContact CG-CG 3.93Å; Y126-Q172 HydrophobicContact CD2-CG 3.71Å; Y126-Q172 HydrophobicContact CE2-CG 3.82Å
127	P	97.2	Very high	97.1	Very high	88 Å²	88	37.1 Å²	37.1	57%	0.571	18%	0.184	S	C	*	.			trans	-82.4	-0.2	-167.1	32.6	-38.3	0	0	0	114.6	T123 L178	T123-P127 WeakPolarHBondContact O-CA 3.3Å; P127-L178 HydrophobicContact CB-CD1 3.85Å
128	K	96.4	Very high	96.9	Very high	86 Å²	86	37.9 Å²	37.9	37%	0.374	19%	0.188	S	C	.	.	S	Bend	trans	-83.3	114.6	174.8	166.6	-172	157.3	-150.9	0	108.7	Y126 N130 E131	Y126-K128 VanDerWaalsContact C-N 3.27Å; Y126-K128 PolarHBondContact O-N 3.28Å; K128-N130 VanDerWaalsContact C-N 3.34Å; K128-N130 WeakPolarHBondContact CE-OD1 2.97Å; K128-N130 PolarHBondContact O-N 2.85Å; K128-N130 VanDerWaalsContact O-N 3.09Å; K128-E131 HydrophobicContact CB-CB 4.07Å; K128-E131 HydrophobicContact CD-CB 4.23Å; K128-E131 HydrophobicContact CG-CB 4.18Å; K128-E131 IonicContact NZ-OE2 2.69Å; K128-E131 PolarHBondContact NZ-OE2 3.25Å; K128-E131 WeakPolarHBondContact O-CB 3.44Å; K128-E131 PolarHBondContact O-N 2.92Å
129	E	93.4	Very high	96.9	Very high	37 Å²	37	38.7 Å²	38.7	17%	0.173	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-32.8	-55.5	-177.5	-175.1	-178.3	131.7	0	0	115.4	L121 R186 T830	L121-E129 HydrophobicContact CB-CG 4.37Å; L121-E129 HydrophobicContact CD2-CG 4.14Å; E129-R186 VanDerWaalsContact CD-NH1 3.33Å; E129-R186 IonicContact OE1-CZ 2.7Å; E129-R186 IonicContact OE1-NH1 3.87Å; E129-R186 PolarHBondContact OE1-NH1 2.88Å; E129-R186 IonicContact OE1-NH2 2.72Å; E129-R186 IonicContact OE2-CZ 2.77Å; E129-R186 IonicContact OE2-NH1 2.75Å; E129-R186 PolarHBondContact OE2-NH1 3.02Å; E129-R186 IonicContact OE2-NH2 3.18Å; E129-R186 PolarHBondContact OE2-NH2 3.45Å; E129-T830 VanDerWaalsContact OE1-CG2 3.29Å; E129-T830 WeakPolarHBondContact OE1-CG2 3.47Å
130	N	93.9	Very high	96.8	Very high	22 Å²	22	38.7 Å²	38.7	12%	0.118	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	9.5	-174.9	79.4	-58.7	0	0	0	114.9	K128 Y132 S133 Q134 E822 N826	K128-N130 VanDerWaalsContact C-N 3.34Å; K128-N130 WeakPolarHBondContact CE-OD1 2.97Å; K128-N130 PolarHBondContact O-N 2.85Å; K128-N130 VanDerWaalsContact O-N 3.09Å; N130-Y132 VanDerWaalsContact C-N 3.28Å; N130-Y132 PolarHBondContact O-N 3.08Å; N130-S133 PolarHBondContact O-N 3.34Å; N130-Q134 PolarHBondContact ND2-OE1 3.39Å; N130-Q134 WeakPolarHBondContact O-CB 3.37Å; N130-Q134 PolarHBondContact O-N 3.33Å; N130-E822 PolarHBondContact ND2-OE1 3Å; N130-N826 WeakPolarHBondContact CB-ND2 3.25Å; N130-N826 PolarHBondContact ND2-ND2 2.9Å
131	E	97.9	Very high	96.8	Very high	37 Å²	37	37.3 Å²	37.3	17%	0.173	19%	0.186	C	C	.	.	H	α-helix	trans	-57.2	-37.7	-171	176	55.6	-157.5	0	0	113.5	Y126 K128 F135 R169	Y126-E131 HydrophobicContact CD1-CG 4.15Å; K128-E131 HydrophobicContact CB-CB 4.07Å; K128-E131 HydrophobicContact CD-CB 4.23Å; K128-E131 HydrophobicContact CG-CB 4.18Å; K128-E131 IonicContact NZ-OE2 2.69Å; K128-E131 PolarHBondContact NZ-OE2 3.25Å; K128-E131 WeakPolarHBondContact O-CB 3.44Å; K128-E131 PolarHBondContact O-N 2.92Å; E131-F135 WeakPolarHBondContact O-CB 3.36Å; E131-F135 PolarHBondContact O-N 3.28Å; E131-R169 IonicContact OE1-CZ 2.96Å; E131-R169 IonicContact OE1-NE 2.67Å; E131-R169 PolarHBondContact OE1-NE 3.45Å; E131-R169 VanDerWaalsContact OE1-NE 3.07Å; E131-R169 IonicContact OE1-NH2 2.79Å; E131-R169 PolarHBondContact OE1-NH2 3.25Å
132	Y	98.2	Very high	96.8	Very high	10 Å²	10	38 Å²	38	4%	0.039	19%	0.192	C	C	.	.	H	α-helix	trans	-68.4	-50.8	177.1	178.1	-110.2	0	0	0	112.1	F120 N130 Q134 F135 L136 F156 R169 F170 F173	F120-Y132 AromaticContact CD1-CD1 3.9Å; F120-Y132 HydrophobicContact CD1-CD1 3.9Å; F120-Y132 AromaticContact CD1-CE1 3.83Å; F120-Y132 HydrophobicContact CD1-CE1 3.83Å; F120-Y132 HydrophobicContact CE1-CD1 4.38Å; F120-Y132 AromaticContact CE1-CE1 3.84Å; F120-Y132 HydrophobicContact CE1-CE1 3.84Å; N130-Y132 VanDerWaalsContact C-N 3.28Å; N130-Y132 PolarHBondContact O-N 3.08Å; Y132-Q134 PolarHBondContact O-N 3.02Å; Y132-F135 PolarHBondContact O-N 3.23Å; Y132-L136 HydrophobicContact CD1-CD1 4.25Å; Y132-L136 HydrophobicContact CD2-CD1 4.48Å; Y132-L136 HydrophobicContact CE1-CD1 3.78Å; Y132-L136 HydrophobicContact CE2-CD1 4.02Å; Y132-L136 HydrophobicContact CE2-CG 4.48Å; Y132-L136 WeakPolarHBondContact O-CG 3.44Å; Y132-L136 PolarHBondContact O-N 3.15Å; Y132-F156 WeakPolarHBondContact OH-CB 3.49Å; Y132-F156 VanDerWaalsContact OH-CD1 3.31Å; Y132-F156 WeakPolarHBondContact OH-CD1 3.23Å; Y132-R169 HydrophobicContact CD2-CB 3.9Å; Y132-F170 HydrophobicContact CE2-CB 4.04Å; Y132-F170 HydrophobicContact CE2-CD2 4.34Å; Y132-F170 WeakPolarHBondContact OH-CD2 3.36Å; Y132-F173 HydrophobicContact CD1-CE1 4.38Å; Y132-F173 HydrophobicContact CD1-CE2 4.47Å; Y132-F173 AromaticContact CD1-CZ 3.6Å; Y132-F173 HydrophobicContact CD1-CZ 3.6Å; Y132-F173 HydrophobicContact CD2-CE1 4.37Å; Y132-F173 HydrophobicContact CD2-CZ 4.25Å; Y132-F173 HydrophobicContact CE1-CE2 4.21Å; Y132-F173 AromaticContact CE1-CZ 3.73Å; Y132-F173 HydrophobicContact CE1-CZ 3.73Å; Y132-F173 HydrophobicContact CE2-CZ 4.38Å; Y132-F173 HydrophobicContact CG-CE1 4.17Å; Y132-F173 AromaticContact CG-CZ 3.84Å; Y132-F173 HydrophobicContact CG-CZ 3.84Å
133	S	96.3	Very high	96.9	Very high	40 Å²	40	39.1 Å²	39.1	28%	0.28	20%	0.199	S	C	.	.	H	α-helix	trans	-61.3	-43.2	178.8	-58.2	0	0	0	0	112.3	N130 L136 S137	N130-S133 PolarHBondContact O-N 3.34Å; S133-L136 PolarHBondContact O-N 3.1Å; S133-S137 WeakPolarHBondContact O-CB 3.28Å; S133-S137 PolarHBondContact O-N 3.35Å
134	Q	96.1	Very high	96.8	Very high	53 Å²	53	42.8 Å²	42.8	25%	0.248	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-47.6	175.2	-179.3	173.1	-6.9	0	0	111.5	N130 Y132 L136 S137 E138	N130-Q134 PolarHBondContact ND2-OE1 3.39Å; N130-Q134 WeakPolarHBondContact O-CB 3.37Å; N130-Q134 PolarHBondContact O-N 3.33Å; Y132-Q134 PolarHBondContact O-N 3.02Å; Q134-L136 VanDerWaalsContact C-N 3.29Å; Q134-L136 PolarHBondContact O-N 3.28Å; Q134-S137 PolarHBondContact O-N 3.36Å; Q134-S137 VanDerWaalsContact O-N 3.11Å; Q134-E138 HydrophobicContact CG-CG 4.35Å; Q134-E138 VanDerWaalsContact CG-OE1 3.31Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.44Å; Q134-E138 PolarHBondContact NE2-OE1 3.45Å; Q134-E138 PolarHBondContact O-N 2.82Å
135	F	98.3	Very high	96.9	Very high	24 Å²	24	36.1 Å²	36.1	11%	0.105	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-42.1	178.5	-177.2	-89.6	0	0	0	111.8	E131 Y132 H139 H162 G165 A166	E131-F135 WeakPolarHBondContact O-CB 3.36Å; E131-F135 PolarHBondContact O-N 3.28Å; Y132-F135 PolarHBondContact O-N 3.23Å; F135-H139 AromaticContact CD2-CE1 3.72Å; F135-H139 AromaticContact CD2-ND1 3.68Å; F135-H139 AromaticContact CE1-ND1 4Å; F135-H139 AromaticContact CE2-CE1 3.55Å; F135-H139 AromaticContact CE2-ND1 3.6Å; F135-H139 AromaticContact CG-ND1 3.93Å; F135-H139 AromaticContact CZ-ND1 3.76Å; F135-H139 PolarHBondContact O-N 3.1Å; F135-H139 PolarHBondContact O-ND1 2.92Å; F135-H162 HydrophobicContact CE1-CB 4.34Å; F135-H162 HydrophobicContact CZ-CB 4.17Å; F135-G165 VanDerWaalsContact CE1-C 3.48Å; F135-A166 HydrophobicContact CD1-CB 4.24Å; F135-A166 HydrophobicContact CE1-CB 3.92Å
136	L	98.3	Very high	96.9	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-66	-42.6	175.6	-68.6	177.4	0	0	0	111.9	Y132 S133 Q134 E138 H139 A140 G141 F156 V158 A166	Y132-L136 HydrophobicContact CD1-CD1 4.25Å; Y132-L136 HydrophobicContact CD2-CD1 4.48Å; Y132-L136 HydrophobicContact CE1-CD1 3.78Å; Y132-L136 HydrophobicContact CE2-CD1 4.02Å; Y132-L136 HydrophobicContact CE2-CG 4.48Å; Y132-L136 WeakPolarHBondContact O-CG 3.44Å; Y132-L136 PolarHBondContact O-N 3.15Å; S133-L136 PolarHBondContact O-N 3.1Å; Q134-L136 VanDerWaalsContact C-N 3.29Å; Q134-L136 PolarHBondContact O-N 3.28Å; L136-E138 PolarHBondContact O-N 2.89Å; L136-H139 CarbonylContact O-C 3.58Å; L136-H139 PolarHBondContact O-N 3.13Å; L136-A140 PolarHBondContact O-N 3.39Å; L136-G141 VanDerWaalsContact O-CA 3.31Å; L136-G141 WeakPolarHBondContact O-CA 3.07Å; L136-G141 PolarHBondContact O-N 3.14Å; L136-F156 HydrophobicContact CD1-CB 3.93Å; L136-F156 HydrophobicContact CD2-CB 4.33Å; L136-F156 HydrophobicContact CD2-CD2 3.97Å; L136-F156 HydrophobicContact CD2-CG 4.35Å; L136-V158 HydrophobicContact CD2-CB 4Å; L136-V158 HydrophobicContact CD2-CG2 4.08Å; L136-A166 HydrophobicContact CD2-CB 3.87Å
137	S	95.6	Very high	96.9	Very high	10 Å²	10	34.7 Å²	34.7	7%	0.07	19%	0.186	C	C	.	.	H	α-helix	trans	-61.7	-44	179.2	-165.4	0	0	0	0	113.1	S133 Q134 H139 Q818	S133-S137 WeakPolarHBondContact O-CB 3.28Å; S133-S137 PolarHBondContact O-N 3.35Å; Q134-S137 PolarHBondContact O-N 3.36Å; Q134-S137 VanDerWaalsContact O-N 3.11Å; S137-H139 PolarHBondContact O-N 2.7Å; S137-Q818 PolarHBondContact O-NE2 3.47Å
138	E	94.9	Very high	96.9	Very high	31 Å²	31	32.5 Å²	32.5	15%	0.145	17%	0.173	C	C	.	.	H	α-helix	trans	-66	-21	176.8	-74.3	-178.4	-158.8	0	0	113.7	Q134 L136	Q134-E138 HydrophobicContact CG-CG 4.35Å; Q134-E138 VanDerWaalsContact CG-OE1 3.31Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.44Å; Q134-E138 PolarHBondContact NE2-OE1 3.45Å; Q134-E138 PolarHBondContact O-N 2.82Å; L136-E138 PolarHBondContact O-N 2.89Å
139	H	97.6	Very high	96.9	Very high	18 Å²	18	29.5 Å²	29.5	8%	0.083	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	40.8	-174.9	-55.3	98.5	0	0	0	112.4	F135 L136 S137 G141 V158 S159 H162	F135-H139 AromaticContact CD2-CE1 3.72Å; F135-H139 AromaticContact CD2-ND1 3.68Å; F135-H139 AromaticContact CE1-ND1 4Å; F135-H139 AromaticContact CE2-CE1 3.55Å; F135-H139 AromaticContact CE2-ND1 3.6Å; F135-H139 AromaticContact CG-ND1 3.93Å; F135-H139 AromaticContact CZ-ND1 3.76Å; F135-H139 PolarHBondContact O-N 3.1Å; F135-H139 PolarHBondContact O-ND1 2.92Å; L136-H139 CarbonylContact O-C 3.58Å; L136-H139 PolarHBondContact O-N 3.13Å; S137-H139 PolarHBondContact O-N 2.7Å; H139-G141 PolarHBondContact O-N 3.08Å; H139-V158 HydrophobicContact CB-CG2 3.9Å; H139-V158 WeakPolarHBondContact O-CG2 3.25Å; H139-S159 VanDerWaalsContact O-CB 3.24Å; H139-S159 WeakPolarHBondContact O-CB 3.3Å; H139-S159 PolarHBondContact O-N 2.65Å; H139-H162 HydrophobicContact CB-CB 4.08Å; H139-H162 AromaticContact CD2-CD2 3.72Å; H139-H162 AromaticContact CD2-CE1 3.21Å; H139-H162 PolarHBondContact CD2-CE1 3.01Å; H139-H162 AromaticContact CD2-CG 3.6Å; H139-H162 AromaticContact CD2-ND1 3.28Å; H139-H162 PolarHBondContact CD2-ND1 3.48Å; H139-H162 VanDerWaalsContact CD2-ND1 3.28Å; H139-H162 AromaticContact CD2-NE2 3.47Å; H139-H162 PolarHBondContact CD2-NE2 3.32Å; H139-H162 AromaticContact CG-CG 3.8Å; H139-H162 AromaticContact CG-ND1 3.82Å; H139-H162 AromaticContact NE2-CE1 3.68Å; H139-H162 AromaticContact NE2-ND1 3.73Å
140	A	96.8	Very high	97.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	0.2	175.7	0	0	0	0	0	116.9	K90 L136 A893 I896 R897	K90-A140 VanDerWaalsContact CE-O 3.27Å; K90-A140 WeakPolarHBondContact CE-O 3.44Å; K90-A140 PolarHBondContact NZ-O 3.01Å; L136-A140 PolarHBondContact O-N 3.39Å; A140-A893 HydrophobicContact CB-CB 4.42Å; A140-A893 WeakPolarHBondContact CB-O 3.39Å; A140-I896 HydrophobicContact CB-CB 3.74Å; A140-I896 HydrophobicContact CB-CD1 4.4Å; A140-I896 HydrophobicContact CB-CG2 3.6Å; A140-R897 HydrophobicContact CB-CG 4.13Å; A140-R897 PolarHBondContact O-NE 2.89Å
141	G	97.4	Very high	97.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	16%	0.161	C	C	.	.			trans	-82.5	-176.6	-171	0	0	0	0	0	116.2	L136 H139 D157 R897	L136-G141 VanDerWaalsContact O-CA 3.31Å; L136-G141 WeakPolarHBondContact O-CA 3.07Å; L136-G141 PolarHBondContact O-N 3.14Å; H139-G141 PolarHBondContact O-N 3.08Å; G141-D157 CarbonylContact C-O 3.56Å; G141-D157 WeakPolarHBondContact CA-O 3.48Å; G141-R897 PolarHBondContact O-NH2 2.57Å
142	S	96.3	Very high	97.5	Very high	34 Å²	34	26.7 Å²	26.7	24%	0.238	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	148.4	175	65.6	0	0	0	0	110.2	F156 D157 R436	S142-F156 CarbonylContact O-C 3.56Å; S142-F156 WeakPolarHBondContact O-CA 3.32Å; S142-F156 WeakPolarHBondContact O-CB 3.42Å; S142-D157 PolarHBondContact N-O 2.81Å; S142-D157 PolarHBondContact N-OD1 2.81Å; S142-D157 PolarHBondContact O-N 2.89Å; S142-D157 PolarHBondContact OG-OD1 3.12Å; S142-R436 WeakPolarHBondContact OG-CD 3.25Å; S142-R436 PolarHBondContact OG-NH1 3.13Å
143	S	97.8	Very high	97.5	Very high	31 Å²	31	26.4 Å²	26.4	22%	0.217	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	162.6	174.6	53.5	0	0	0	0	112	Y155	S143-Y155 VanDerWaalsContact CA-O 3.24Å; S143-Y155 WeakPolarHBondContact CA-O 3.34Å; S143-Y155 WeakPolarHBondContact CB-O 3.48Å
144	N	97.8	Very high	97.6	Very high	81 Å²	81	24.5 Å²	24.5	43%	0.433	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	176.3	161.6	-162.2	53.9	0	0	0	108.8	Y155	N144-Y155 HydrophobicContact CB-CD2 4.41Å; N144-Y155 HydrophobicContact CB-CE2 3.62Å; N144-Y155 PolarHBondContact N-O 3.41Å; N144-Y155 PolarHBondContact ND2-OH 3.02Å; N144-Y155 VanDerWaalsContact ND2-OH 3.1Å; N144-Y155 PolarHBondContact O-N 2.95Å; N144-Y155 VanDerWaalsContact O-O 3.07Å
145	A	98.1	Very high	97.7	Very high	5 Å²	5	23.3 Å²	23.3	4%	0.041	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	-175.7	167.6	0	0	0	0	0	110.9	E116 F120 N153 Y154	E116-A145 HydrophobicContact CG-CB 3.61Å; E116-A145 WeakPolarHBondContact OE1-CB 3.2Å; F120-A145 HydrophobicContact CE2-CB 3.92Å; F120-A145 HydrophobicContact CZ-CB 3.78Å; A145-N153 CarbonylContact C-O 3.29Å; A145-N153 WeakPolarHBondContact CA-O 3.27Å; A145-N153 VanDerWaalsContact CB-O 3.29Å; A145-N153 WeakPolarHBondContact CB-O 3.39Å; A145-Y154 HydrophobicContact CB-CD1 3.56Å; A145-Y154 HydrophobicContact CB-CE1 4.22Å; A145-Y154 HydrophobicContact CB-CG 3.97Å
146	F	98.4	Very high	97.8	Very high	89 Å²	89	22.2 Å²	22.2	39%	0.39	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	144.5	161.7	63.1	-94.4	0	0	0	111.7	E116 T152 N153 Y155	E116-F146 WeakPolarHBondContact OE2-CA 3.48Å; F146-T152 WeakPolarHBondContact O-CA 3.37Å; F146-N153 HydrophobicContact CD1-CB 4.17Å; F146-N153 HydrophobicContact CD2-CB 4.38Å; F146-N153 HydrophobicContact CE1-CB 3.66Å; F146-N153 HydrophobicContact CE2-CB 3.89Å; F146-N153 HydrophobicContact CZ-CB 3.5Å; F146-N153 PolarHBondContact N-O 3.06Å; F146-N153 PolarHBondContact O-N 2.95Å; F146-Y155 AromaticContact CD1-CE1 3.88Å; F146-Y155 HydrophobicContact CD1-CE1 3.88Å; F146-Y155 HydrophobicContact CE1-CE1 4.1Å
147	T	98.5	Very high	97.8	Very high	29 Å²	29	23 Å²	23	18%	0.178	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.6	164.9	-68.6	0	0	0	0	110.8	A112 H113 E116 H151 T152	A112-T147 HydrophobicContact CB-CG2 3.92Å; H113-T147 WeakPolarHBondContact CA-OG1 3.36Å; H113-T147 HydrophobicContact CB-CG2 4.25Å; E116-T147 PolarHBondContact OE2-N 3.32Å; E116-T147 PolarHBondContact OE2-OG1 3.25Å; T147-H151 CarbonylContact C-O 3.47Å; T147-H151 WeakPolarHBondContact CA-O 3.11Å; T147-T152 WeakPolarHBondContact OG1-CG2 3.43Å; T147-T152 PolarHBondContact OG1-OG1 2.83Å
148	S	97.6	Very high	97.9	Very high	43 Å²	43	22.6 Å²	22.6	30%	0.301	13%	0.128	S	C	.	.			trans	-117.1	-156.4	174.8	76.9	0	0	0	0	110.9	S101 E150 H151	S101-S148 PolarHBondContact N-O 2.67Å; S101-S148 PolarHBondContact OG-O 3.28Å; S148-E150 PolarHBondContact OG-N 3.26Å; S148-H151 PolarHBondContact N-O 2.74Å; S148-H151 PolarHBondContact OG-N 3.45Å; S148-H151 PolarHBondContact OG-O 3.43Å
149	G	97.1	Very high	98.1	Very high	23 Å²	23	21.1 Å²	21.1	24%	0.237	12%	0.121	C	C	.	.	S	Bend	trans	-68.3	-47.8	171.3	0	0	0	0	0	112.6	G100 S101 L102	G100-G149 CarbonylContact C-O 3.54Å; G100-G149 WeakPolarHBondContact CA-O 3.31Å; S101-G149 PolarHBondContact N-O 3.39Å; L102-G149 VanDerWaalsContact CB-O 3.31Å; L102-G149 WeakPolarHBondContact CB-O 3.41Å; L102-G149 WeakPolarHBondContact CG-O 3.35Å; L102-G149 PolarHBondContact N-O 3.46Å
150	E	98.3	Very high	98.1	Very high	21 Å²	21	21.9 Å²	21.9	10%	0.098	13%	0.125	C	C	.	.	S	Bend	trans	-117.5	-8.5	-171.5	-62.7	-171.1	119	0	0	114.2	H98 I99 L102 S148 F293 A372 K373	H98-E150 CarbonylContact C-O 3.57Å; H98-E150 WeakPolarHBondContact CA-O 3.48Å; I99-E150 CarbonylContact C-O 3.51Å; I99-E150 VanDerWaalsContact C-O 3.29Å; I99-E150 VanDerWaalsContact CA-O 3.29Å; I99-E150 WeakPolarHBondContact CA-O 3.44Å; I99-E150 PolarHBondContact N-O 2.91Å; L102-E150 HydrophobicContact CD1-CG 3.87Å; S148-E150 PolarHBondContact OG-N 3.26Å; E150-F293 HydrophobicContact CG-CE2 4.31Å; E150-F293 WeakPolarHBondContact OE1-CE2 3.47Å; E150-A372 HydrophobicContact CG-CB 4.09Å; E150-A372 VanDerWaalsContact OE2-CA 3.26Å; E150-A372 WeakPolarHBondContact OE2-CA 3.46Å; E150-K373 VanDerWaalsContact OE1-CB 3.23Å; E150-K373 WeakPolarHBondContact OE1-CB 3.22Å; E150-K373 PolarHBondContact OE1-N 2.95Å; E150-K373 PolarHBondContact OE2-N 3.43Å
151	H	98.7	Very high	98.2	Very high	16 Å²	16	28 Å²	28	7%	0.074	15%	0.153	C	C	.	.			trans	-130.3	148.3	-174.6	-64.6	-88	0	0	0	112.9	D96 V97 H98 I99 T147 S148 H447 Y448	D96-H151 IonicContact OD1-CE1 3.17Å; D96-H151 IonicContact OD1-CG 2.7Å; D96-H151 IonicContact OD1-ND1 2.79Å; D96-H151 PolarHBondContact OD1-ND1 3.03Å; D96-H151 IonicContact OD2-CG 2.94Å; D96-H151 IonicContact OD2-ND1 3.76Å; V97-H151 CarbonylContact O-C 3.11Å; V97-H151 WeakPolarHBondContact O-CA 3.37Å; H98-H151 AromaticContact CD2-CE1 3.93Å; H98-H151 AromaticContact CE1-CE1 3.59Å; H98-H151 AromaticContact CE1-NE2 3.84Å; H98-H151 AromaticContact CG-CE1 3.67Å; H98-H151 AromaticContact ND1-CE1 3.46Å; H98-H151 PolarHBondContact ND1-CE1 3.4Å; H98-H151 AromaticContact NE2-CE1 3.93Å; H98-H151 AromaticContact NE2-NE2 3.89Å; I99-H151 CarbonylContact O-C 3.5Å; T147-H151 CarbonylContact C-O 3.47Å; T147-H151 WeakPolarHBondContact CA-O 3.11Å; S148-H151 PolarHBondContact N-O 2.74Å; S148-H151 PolarHBondContact OG-N 3.45Å; S148-H151 PolarHBondContact OG-O 3.43Å; H151-H447 AromaticContact CE1-CD2 3.4Å; H151-H447 PolarHBondContact CE1-CD2 3.19Å; H151-H447 AromaticContact ND1-CD2 3.63Å; H151-H447 AromaticContact ND1-NE2 3.96Å; H151-Y448 AromaticContact NE2-CE2 3.83Å; H151-Y448 AromaticContact NE2-CZ 3.65Å; H151-Y448 PolarHBondContact NE2-OH 2.88Å
152	T	98.9	Very high	98.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	113.5	161.4	-53.4	0	0	0	0	108.4	V97 I99 E116 F146 T147 Y154	V97-T152 PolarHBondContact N-O 3.27Å; V97-T152 PolarHBondContact O-N 3.48Å; I99-T152 PolarHBondContact O-N 2.86Å; I99-T152 VanDerWaalsContact O-N 3.1Å; I99-T152 PolarHBondContact O-OG1 3.28Å; E116-T152 HydrophobicContact CB-CG2 3.93Å; E116-T152 HydrophobicContact CG-CG2 3.85Å; F146-T152 WeakPolarHBondContact O-CA 3.37Å; T147-T152 WeakPolarHBondContact OG1-CG2 3.43Å; T147-T152 PolarHBondContact OG1-OG1 2.83Å; T152-Y154 HydrophobicContact CG2-CD2 4.35Å; T152-Y154 HydrophobicContact CG2-CE1 4.48Å; T152-Y154 HydrophobicContact CG2-CE2 3.56Å
153	N	98.9	Very high	98.3	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.3	-166.7	-171.7	-72	0	0	0	110.3	D96 A145 F146 Y155 S440	D96-N153 WeakPolarHBondContact OD2-CB 3.3Å; D96-N153 PolarHBondContact OD2-ND2 3.26Å; A145-N153 CarbonylContact C-O 3.29Å; A145-N153 WeakPolarHBondContact CA-O 3.27Å; A145-N153 VanDerWaalsContact CB-O 3.29Å; A145-N153 WeakPolarHBondContact CB-O 3.39Å; F146-N153 HydrophobicContact CD1-CB 4.17Å; F146-N153 HydrophobicContact CD2-CB 4.38Å; F146-N153 HydrophobicContact CE1-CB 3.66Å; F146-N153 HydrophobicContact CE2-CB 3.89Å; F146-N153 HydrophobicContact CZ-CB 3.5Å; F146-N153 PolarHBondContact N-O 3.06Å; F146-N153 PolarHBondContact O-N 2.95Å; N153-Y155 VanDerWaalsContact OD1-CD1 3.27Å; N153-Y155 WeakPolarHBondContact OD1-CD1 3.14Å; N153-S440 PolarHBondContact ND2-O 3.47Å; N153-S440 WeakPolarHBondContact OD1-CB 3.37Å; N153-S440 PolarHBondContact OD1-OG 3.19Å
154	Y	98.9	Very high	98.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.4	-179	-52.5	-104	0	0	0	110.7	A94 L95 E116 L119 F120 A145 T152 F170 F173 F174 Y254	A94-Y154 CarbonylContact C-O 3.55Å; A94-Y154 WeakPolarHBondContact CA-O 3.41Å; A94-Y154 WeakPolarHBondContact CB-O 3.33Å; L95-Y154 PolarHBondContact N-O 3.26Å; L95-Y154 PolarHBondContact O-N 2.91Å; E116-Y154 WeakPolarHBondContact CA-OH 3.42Å; E116-Y154 HydrophobicContact CB-CE1 4.33Å; E116-Y154 HydrophobicContact CG-CD1 4.35Å; E116-Y154 HydrophobicContact CG-CE1 3.73Å; L119-Y154 HydrophobicContact CB-CE1 4.27Å; L119-Y154 HydrophobicContact CD1-CE1 3.89Å; L119-Y154 HydrophobicContact CD1-CE2 4.31Å; L119-Y154 WeakPolarHBondContact CD1-OH 3.45Å; L119-Y154 HydrophobicContact CG-CE1 4.3Å; F120-Y154 AromaticContact CE2-CD1 3.91Å; F120-Y154 HydrophobicContact CE2-CD1 3.91Å; F120-Y154 HydrophobicContact CE2-CE1 4.15Å; F120-Y154 HydrophobicContact CZ-CD1 4.1Å; A145-Y154 HydrophobicContact CB-CD1 3.56Å; A145-Y154 HydrophobicContact CB-CE1 4.22Å; A145-Y154 HydrophobicContact CB-CG 3.97Å; T152-Y154 HydrophobicContact CG2-CD2 4.35Å; T152-Y154 HydrophobicContact CG2-CE1 4.48Å; T152-Y154 HydrophobicContact CG2-CE2 3.56Å; Y154-F170 WeakPolarHBondContact O-CZ 3.31Å; Y154-F173 HydrophobicContact CD1-CD2 4.38Å; Y154-F174 AromaticContact CD2-CE1 3.76Å; Y154-F174 HydrophobicContact CD2-CE1 3.76Å; Y154-F174 AromaticContact CD2-CZ 3.87Å; Y154-F174 HydrophobicContact CD2-CZ 3.87Å; Y154-F174 AromaticContact CE2-CE1 3.85Å; Y154-F174 HydrophobicContact CE2-CE1 3.85Å; Y154-F174 HydrophobicContact CE2-CZ 4.37Å; Y154-F174 HydrophobicContact CG-CE1 4.44Å; Y154-F174 HydrophobicContact CG-CZ 4.16Å; Y154-Y254 HydrophobicContact CE2-CE1 4.15Å; Y154-Y254 PolarHBondContact OH-OH 3.12Å
155	Y	98.8	Very high	98.4	Very high	29 Å²	29	28.7 Å²	28.7	11%	0.114	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	150.3	-174.7	49.4	-88.2	0	0	0	114.5	A93 S143 N144 F146 N153 R436 S440	A93-Y155 WeakPolarHBondContact O-CA 3.17Å; S143-Y155 VanDerWaalsContact CA-O 3.24Å; S143-Y155 WeakPolarHBondContact CA-O 3.34Å; S143-Y155 WeakPolarHBondContact CB-O 3.48Å; N144-Y155 HydrophobicContact CB-CD2 4.41Å; N144-Y155 HydrophobicContact CB-CE2 3.62Å; N144-Y155 PolarHBondContact N-O 3.41Å; N144-Y155 PolarHBondContact ND2-OH 3.02Å; N144-Y155 VanDerWaalsContact ND2-OH 3.1Å; N144-Y155 PolarHBondContact O-N 2.95Å; N144-Y155 VanDerWaalsContact O-O 3.07Å; F146-Y155 AromaticContact CD1-CE1 3.88Å; F146-Y155 HydrophobicContact CD1-CE1 3.88Å; F146-Y155 HydrophobicContact CE1-CE1 4.1Å; N153-Y155 VanDerWaalsContact OD1-CD1 3.27Å; N153-Y155 WeakPolarHBondContact OD1-CD1 3.14Å; Y155-R436 HydrophobicContact CD2-CG 3.97Å; Y155-S440 WeakPolarHBondContact CD1-OG 3.47Å
156	F	98.9	Very high	98.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	158.4	173.3	71.5	-92.9	0	0	0	113.8	S92 A93 Y132 L136 S142 V158 L163 A166 L167 F170	S92-F156 VanDerWaalsContact CA-O 3.25Å; S92-F156 WeakPolarHBondContact CA-O 3.49Å; S92-F156 VanDerWaalsContact CB-O 3.24Å; S92-F156 WeakPolarHBondContact CB-O 3.26Å; S92-F156 PolarHBondContact OG-O 3.11Å; A93-F156 HydrophobicContact CB-CD1 4.48Å; A93-F156 HydrophobicContact CB-CE1 3.7Å; A93-F156 HydrophobicContact CB-CZ 3.78Å; A93-F156 PolarHBondContact N-O 2.89Å; A93-F156 PolarHBondContact O-N 3.49Å; Y132-F156 WeakPolarHBondContact OH-CB 3.49Å; Y132-F156 VanDerWaalsContact OH-CD1 3.31Å; Y132-F156 WeakPolarHBondContact OH-CD1 3.23Å; L136-F156 HydrophobicContact CD1-CB 3.93Å; L136-F156 HydrophobicContact CD2-CB 4.33Å; L136-F156 HydrophobicContact CD2-CD2 3.97Å; L136-F156 HydrophobicContact CD2-CG 4.35Å; S142-F156 CarbonylContact O-C 3.56Å; S142-F156 WeakPolarHBondContact O-CA 3.32Å; S142-F156 WeakPolarHBondContact O-CB 3.42Å; F156-V158 HydrophobicContact CD2-CB 4.29Å; F156-V158 HydrophobicContact CD2-CG1 4.23Å; F156-V158 HydrophobicContact CE2-CB 4.38Å; F156-V158 HydrophobicContact CE2-CG1 3.85Å; F156-L163 HydrophobicContact CE2-CD1 4.35Å; F156-L163 HydrophobicContact CZ-CD1 4.33Å; F156-A166 HydrophobicContact CD2-CB 3.99Å; F156-A166 HydrophobicContact CE2-CB 3.41Å; F156-A166 VanDerWaalsContact CE2-CB 3.41Å; F156-A166 HydrophobicContact CZ-CB 3.74Å; F156-L167 HydrophobicContact CE1-CD1 4.31Å; F156-L167 HydrophobicContact CZ-CB 4.24Å; F156-L167 HydrophobicContact CZ-CD1 4.22Å; F156-F170 HydrophobicContact CD1-CB 4.21Å; F156-F170 HydrophobicContact CD1-CD1 4.33Å; F156-F170 AromaticContact CD1-CD2 3.95Å; F156-F170 HydrophobicContact CD1-CD2 3.95Å; F156-F170 HydrophobicContact CD1-CE2 4.37Å; F156-F170 AromaticContact CD1-CG 3.92Å; F156-F170 HydrophobicContact CD1-CG 3.92Å; F156-F170 HydrophobicContact CE1-CB 3.72Å; F156-F170 AromaticContact CE1-CD1 3.83Å; F156-F170 HydrophobicContact CE1-CD1 3.83Å; F156-F170 HydrophobicContact CE1-CD2 4.18Å; F156-F170 HydrophobicContact CE1-CE1 4.47Å; F156-F170 AromaticContact CE1-CG 3.65Å; F156-F170 HydrophobicContact CE1-CG 3.65Å
157	D	98.7	Very high	98.4	Very high	20 Å²	20	24.2 Å²	24.2	11%	0.107	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	156.8	157.3	71.2	8.4	0	0	0	110.7	K90 S91 G141 S142 R436	K90-D157 HydrophobicContact CB-CB 4.42Å; K90-D157 HydrophobicContact CD-CB 3.84Å; K90-D157 WeakPolarHBondContact CD-OD2 3.42Å; K90-D157 IonicContact NZ-OD1 3.53Å; K90-D157 PolarHBondContact NZ-OD1 3.25Å; K90-D157 IonicContact NZ-OD2 2.76Å; K90-D157 PolarHBondContact NZ-OD2 3.25Å; S91-D157 WeakPolarHBondContact O-CA 3.42Å; G141-D157 CarbonylContact C-O 3.56Å; G141-D157 WeakPolarHBondContact CA-O 3.48Å; S142-D157 PolarHBondContact N-O 2.81Å; S142-D157 PolarHBondContact N-OD1 2.81Å; S142-D157 PolarHBondContact O-N 2.89Å; S142-D157 PolarHBondContact OG-OD1 3.12Å; D157-R436 HydrophobicContact CB-CB 3.96Å; D157-R436 HydrophobicContact CB-CG 4.02Å
158	V	98.8	Very high	98.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	156.7	-179.2	68.7	0	0	0	0	109.7	K90 S91 L136 H139 F156 H160 H162 A166	K90-V158 CarbonylContact C-O 2.94Å; K90-V158 WeakPolarHBondContact CA-O 3.46Å; K90-V158 VanDerWaalsContact CB-O 3.28Å; K90-V158 WeakPolarHBondContact CB-O 3.36Å; S91-V158 PolarHBondContact N-O 3.28Å; S91-V158 PolarHBondContact O-N 2.73Å; L136-V158 HydrophobicContact CD2-CB 4Å; L136-V158 HydrophobicContact CD2-CG2 4.08Å; H139-V158 HydrophobicContact CB-CG2 3.9Å; H139-V158 WeakPolarHBondContact O-CG2 3.25Å; F156-V158 HydrophobicContact CD2-CB 4.29Å; F156-V158 HydrophobicContact CD2-CG1 4.23Å; F156-V158 HydrophobicContact CE2-CB 4.38Å; F156-V158 HydrophobicContact CE2-CG1 3.85Å; V158-H160 PolarHBondContact O-N 2.8Å; V158-H162 HydrophobicContact CG2-CB 3.96Å; V158-A166 HydrophobicContact CB-CB 4.26Å; V158-A166 HydrophobicContact CG1-CB 4.02Å; V158-A166 HydrophobicContact CG2-CB 4.3Å
159	S	98.3	Very high	98.5	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.007	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-46.2	134.1	165.4	170.2	0	0	0	0	110.3	H139 E161 H162 I896	H139-S159 VanDerWaalsContact O-CB 3.24Å; H139-S159 WeakPolarHBondContact O-CB 3.3Å; H139-S159 PolarHBondContact O-N 2.65Å; S159-E161 PolarHBondContact O-N 2.85Å; S159-H162 PolarHBondContact O-N 3.16Å; S159-I896 WeakPolarHBondContact OG-CD1 3.13Å
160	H	97.9	Very high	98.6	Very high	34 Å²	34	22.7 Å²	22.7	16%	0.157	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-58.2	-28.2	-172.3	67.8	75.7	0	0	0	113.8	D89 S91 V158 H162 R266	D89-H160 PolarHBondContact O-N 2.96Å; S91-H160 VanDerWaalsContact OG-CA 3.26Å; S91-H160 WeakPolarHBondContact OG-CA 3.25Å; S91-H160 WeakPolarHBondContact OG-CB 3.4Å; V158-H160 PolarHBondContact O-N 2.8Å; H160-H162 PolarHBondContact O-N 2.94Å; H160-R266 HydrophobicContact CB-CG 4.12Å; H160-R266 PolarHBondContact CD2-NH2 3.41Å; H160-R266 VanDerWaalsContact CD2-NH2 3.31Å; H160-R266 PolarHBondContact CE1-NH1 3.01Å; H160-R266 VanDerWaalsContact CE1-NH1 3.29Å; H160-R266 PolarHBondContact NE2-NH1 2.79Å; H160-R266 VanDerWaalsContact NE2-NH1 3.14Å; H160-R266 PolarHBondContact NE2-NH2 2.95Å; H160-R266 VanDerWaalsContact NE2-NH2 3.18Å
161	E	98	Very high	98.6	Very high	127 Å²	127	21.7 Å²	21.7	59%	0.593	11%	0.106	S	C	*	.	G	3₁₀ helix	trans	-69	-13.2	179.6	-53.5	-178.2	137	0	0	113.3	S159	S159-E161 PolarHBondContact O-N 2.85Å
162	H	98.4	Very high	98.6	Very high	61 Å²	61	21.7 Å²	21.7	28%	0.282	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-119.4	13.1	-172.7	-60.3	-87.5	0	0	0	113.7	F135 H139 V158 S159 H160 Q164 G165 A166	F135-H162 HydrophobicContact CE1-CB 4.34Å; F135-H162 HydrophobicContact CZ-CB 4.17Å; H139-H162 HydrophobicContact CB-CB 4.08Å; H139-H162 AromaticContact CD2-CD2 3.72Å; H139-H162 AromaticContact CD2-CE1 3.21Å; H139-H162 PolarHBondContact CD2-CE1 3.01Å; H139-H162 AromaticContact CD2-CG 3.6Å; H139-H162 AromaticContact CD2-ND1 3.28Å; H139-H162 PolarHBondContact CD2-ND1 3.48Å; H139-H162 VanDerWaalsContact CD2-ND1 3.28Å; H139-H162 AromaticContact CD2-NE2 3.47Å; H139-H162 PolarHBondContact CD2-NE2 3.32Å; H139-H162 AromaticContact CG-CG 3.8Å; H139-H162 AromaticContact CG-ND1 3.82Å; H139-H162 AromaticContact NE2-CE1 3.68Å; H139-H162 AromaticContact NE2-ND1 3.73Å; V158-H162 HydrophobicContact CG2-CB 3.96Å; S159-H162 PolarHBondContact O-N 3.16Å; H160-H162 PolarHBondContact O-N 2.94Å; H162-Q164 PolarHBondContact O-N 3.3Å; H162-G165 PolarHBondContact O-N 2.81Å; H162-G165 VanDerWaalsContact O-N 3.1Å; H162-A166 PolarHBondContact O-N 2.63Å; H162-A166 VanDerWaalsContact O-N 3.1Å
163	L	98.8	Very high	98.6	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-50.5	-55.7	179.4	175.9	55.5	0	0	0	111.9	F156 G165 A166 L167 V263 L272 M275	F156-L163 HydrophobicContact CE2-CD1 4.35Å; F156-L163 HydrophobicContact CZ-CD1 4.33Å; L163-G165 PolarHBondContact O-N 3.33Å; L163-A166 PolarHBondContact O-N 3.04Å; L163-L167 HydrophobicContact CD1-CB 4.39Å; L163-L167 WeakPolarHBondContact O-CB 3.05Å; L163-L167 PolarHBondContact O-N 3.49Å; L163-V263 HydrophobicContact CD1-CG1 4.33Å; L163-V263 HydrophobicContact CD2-CG1 4.13Å; L163-L272 HydrophobicContact CD2-CD2 3.81Å; L163-M275 HydrophobicContact CD2-SD 4.4Å
164	Q	98.4	Very high	98.6	Very high	79 Å²	79	22.1 Å²	22.1	37%	0.369	11%	0.108	S	C	.	.	H	α-helix	trans	-54.7	-38.1	179.9	178.5	62.6	62.4	0	0	112.9	H162 D168 M275	H162-Q164 PolarHBondContact O-N 3.3Å; Q164-D168 VanDerWaalsContact O-CB 3.24Å; Q164-D168 WeakPolarHBondContact O-CB 3.16Å; Q164-D168 PolarHBondContact O-N 2.88Å; Q164-M275 VanDerWaalsContact OE1-CG 3.31Å
165	G	98.4	Very high	98.4	Very high	22 Å²	22	24.6 Å²	24.6	23%	0.227	12%	0.121	C	C	.	.	H	α-helix	trans	-76.5	-29.5	-178	0	0	0	0	0	114.3	F135 H162 L163 R169	F135-G165 VanDerWaalsContact CE1-C 3.48Å; H162-G165 PolarHBondContact O-N 2.81Å; H162-G165 VanDerWaalsContact O-N 3.1Å; L163-G165 PolarHBondContact O-N 3.33Å; G165-R169 PolarHBondContact O-NH1 3.48Å
166	A	98.8	Very high	98.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-78.8	-44.3	171.4	0	0	0	0	0	111.2	F135 L136 F156 V158 H162 L163 D168 R169 F170	F135-A166 HydrophobicContact CD1-CB 4.24Å; F135-A166 HydrophobicContact CE1-CB 3.92Å; L136-A166 HydrophobicContact CD2-CB 3.87Å; F156-A166 HydrophobicContact CD2-CB 3.99Å; F156-A166 HydrophobicContact CE2-CB 3.41Å; F156-A166 VanDerWaalsContact CE2-CB 3.41Å; F156-A166 HydrophobicContact CZ-CB 3.74Å; V158-A166 HydrophobicContact CB-CB 4.26Å; V158-A166 HydrophobicContact CG1-CB 4.02Å; V158-A166 HydrophobicContact CG2-CB 4.3Å; H162-A166 PolarHBondContact O-N 2.63Å; H162-A166 VanDerWaalsContact O-N 3.1Å; L163-A166 PolarHBondContact O-N 3.04Å; A166-D168 VanDerWaalsContact C-N 3.35Å; A166-D168 PolarHBondContact O-N 2.83Å; A166-R169 PolarHBondContact O-N 3.38Å; A166-F170 VanDerWaalsContact O-CB 3.3Å; A166-F170 WeakPolarHBondContact O-CB 3.49Å; A166-F170 PolarHBondContact O-N 2.99Å
167	L	98.8	Very high	98.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.9	-36.8	-178.3	-168.7	64	0	0	0	112.1	A93 F156 L163 F170 A171 V263 L279 F280	A93-L167 HydrophobicContact CB-CD1 3.52Å; F156-L167 HydrophobicContact CE1-CD1 4.31Å; F156-L167 HydrophobicContact CZ-CB 4.24Å; F156-L167 HydrophobicContact CZ-CD1 4.22Å; L163-L167 HydrophobicContact CD1-CB 4.39Å; L163-L167 WeakPolarHBondContact O-CB 3.05Å; L163-L167 PolarHBondContact O-N 3.49Å; L167-F170 HydrophobicContact CD1-CD1 4.23Å; L167-F170 PolarHBondContact O-N 2.71Å; L167-A171 WeakPolarHBondContact O-CB 3.31Å; L167-A171 PolarHBondContact O-N 2.89Å; L167-V263 HydrophobicContact CD1-CG2 4.3Å; L167-V263 HydrophobicContact CD2-CG1 4.19Å; L167-V263 HydrophobicContact CD2-CG2 4.39Å; L167-L279 HydrophobicContact CB-CD1 4.02Å; L167-L279 HydrophobicContact CD2-CD1 3.9Å; L167-L279 HydrophobicContact CG-CD1 3.65Å; L167-F280 HydrophobicContact CD1-CE2 3.79Å; L167-F280 HydrophobicContact CD1-CZ 3.95Å; L167-F280 HydrophobicContact CD2-CE2 4.4Å; L167-F280 HydrophobicContact CG-CE2 3.97Å; L167-F280 HydrophobicContact CG-CZ 4.46Å
168	D	98.6	Very high	98.1	Very high	27 Å²	27	27.1 Å²	27.1	14%	0.144	14%	0.139	C	C	.	.	H	α-helix	trans	-63.5	-48.4	174.6	-171.9	1.8	0	0	0	111.7	K125 Y126 Q164 A166 F170 A171 Q172 L279	K125-D168 IonicContact NZ-OD1 2.71Å; K125-D168 PolarHBondContact NZ-OD1 3.29Å; K125-D168 IonicContact NZ-OD2 3.54Å; K125-D168 PolarHBondContact NZ-OD2 3.13Å; Y126-D168 PolarHBondContact OH-OD2 3.03Å; Q164-D168 VanDerWaalsContact O-CB 3.24Å; Q164-D168 WeakPolarHBondContact O-CB 3.16Å; Q164-D168 PolarHBondContact O-N 2.88Å; A166-D168 VanDerWaalsContact C-N 3.35Å; A166-D168 PolarHBondContact O-N 2.83Å; D168-F170 VanDerWaalsContact C-N 3.34Å; D168-F170 PolarHBondContact O-N 2.75Å; D168-A171 PolarHBondContact O-N 3.12Å; D168-Q172 WeakPolarHBondContact O-CG 3.13Å; D168-Q172 PolarHBondContact O-N 3.04Å; D168-Q172 PolarHBondContact O-NE2 3.07Å; D168-Q172 PolarHBondContact OD1-NE2 3.34Å; D168-Q172 VanDerWaalsContact OD1-NE2 3.13Å; D168-L279 HydrophobicContact CB-CD1 4.35Å; D168-L279 HydrophobicContact CB-CD2 4.01Å
169	R	98.7	Very high	98	Very high	36 Å²	36	27.2 Å²	27.2	14%	0.136	14%	0.139	C	C	.	.	H	α-helix	trans	-59.4	-43.9	174.4	-72.2	172.8	174.7	70.2	-0	112	Y126 E131 Y132 G165 A166 Q172	Y126-R169 HydrophobicContact CD1-CG 4.02Å; Y126-R169 HydrophobicContact CD2-CB 4.18Å; Y126-R169 HydrophobicContact CD2-CG 3.71Å; Y126-R169 HydrophobicContact CE1-CG 3.91Å; Y126-R169 HydrophobicContact CE2-CB 4.17Å; Y126-R169 HydrophobicContact CE2-CG 3.59Å; Y126-R169 HydrophobicContact CG-CG 3.93Å; E131-R169 IonicContact OE1-CZ 2.96Å; E131-R169 IonicContact OE1-NE 2.67Å; E131-R169 PolarHBondContact OE1-NE 3.45Å; E131-R169 VanDerWaalsContact OE1-NE 3.07Å; E131-R169 IonicContact OE1-NH2 2.79Å; E131-R169 PolarHBondContact OE1-NH2 3.25Å; Y132-R169 HydrophobicContact CD2-CB 3.9Å; G165-R169 PolarHBondContact O-NH1 3.48Å; A166-R169 PolarHBondContact O-N 3.38Å; R169-Q172 PolarHBondContact O-N 2.99Å
170	F	98.8	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63	-42.6	178.5	-177.9	-113.1	0	0	0	112.4	L95 Y132 Y154 F156 A166 L167 D168 Q172 F173 F174 F280	L95-F170 HydrophobicContact CB-CE1 3.82Å; L95-F170 HydrophobicContact CB-CZ 3.93Å; Y132-F170 HydrophobicContact CE2-CB 4.04Å; Y132-F170 HydrophobicContact CE2-CD2 4.34Å; Y132-F170 WeakPolarHBondContact OH-CD2 3.36Å; Y154-F170 WeakPolarHBondContact O-CZ 3.31Å; F156-F170 HydrophobicContact CD1-CB 4.21Å; F156-F170 HydrophobicContact CD1-CD1 4.33Å; F156-F170 AromaticContact CD1-CD2 3.95Å; F156-F170 HydrophobicContact CD1-CD2 3.95Å; F156-F170 HydrophobicContact CD1-CE2 4.37Å; F156-F170 AromaticContact CD1-CG 3.92Å; F156-F170 HydrophobicContact CD1-CG 3.92Å; F156-F170 HydrophobicContact CE1-CB 3.72Å; F156-F170 AromaticContact CE1-CD1 3.83Å; F156-F170 HydrophobicContact CE1-CD1 3.83Å; F156-F170 HydrophobicContact CE1-CD2 4.18Å; F156-F170 HydrophobicContact CE1-CE1 4.47Å; F156-F170 AromaticContact CE1-CG 3.65Å; F156-F170 HydrophobicContact CE1-CG 3.65Å; A166-F170 VanDerWaalsContact O-CB 3.3Å; A166-F170 WeakPolarHBondContact O-CB 3.49Å; A166-F170 PolarHBondContact O-N 2.99Å; L167-F170 HydrophobicContact CD1-CD1 4.23Å; L167-F170 PolarHBondContact O-N 2.71Å; D168-F170 VanDerWaalsContact C-N 3.34Å; D168-F170 PolarHBondContact O-N 2.75Å; F170-Q172 PolarHBondContact O-N 2.88Å; F170-F173 HydrophobicContact CD2-CD2 4.41Å; F170-F173 HydrophobicContact CD2-CE2 4.47Å; F170-F173 VanDerWaalsContact O-CB 3.29Å; F170-F173 WeakPolarHBondContact O-CB 3.39Å; F170-F173 WeakPolarHBondContact O-CG 3.46Å; F170-F173 PolarHBondContact O-N 3.3Å; F170-F174 HydrophobicContact CD1-CE2 4.06Å; F170-F174 HydrophobicContact CD2-CE2 4.32Å; F170-F174 AromaticContact CE1-CE2 3.8Å; F170-F174 HydrophobicContact CE1-CE2 3.8Å; F170-F174 HydrophobicContact CE1-CZ 4.3Å; F170-F174 HydrophobicContact CE2-CE2 4.08Å; F170-F174 HydrophobicContact CE2-CZ 4.11Å; F170-F174 HydrophobicContact CG-CE2 4.32Å; F170-F174 AromaticContact CZ-CE2 3.81Å; F170-F174 HydrophobicContact CZ-CE2 3.81Å; F170-F174 AromaticContact CZ-CZ 3.88Å; F170-F174 HydrophobicContact CZ-CZ 3.88Å; F170-F174 WeakPolarHBondContact O-CD2 3.42Å; F170-F174 VanDerWaalsContact O-CE2 3.26Å; F170-F174 WeakPolarHBondContact O-CE2 3.19Å; F170-F280 HydrophobicContact CD1-CZ 4.19Å
171	A	98.6	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58	-33.6	178.4	0	0	0	0	0	112.6	L167 D168 F173 F174 L279 F280	L167-A171 WeakPolarHBondContact O-CB 3.31Å; L167-A171 PolarHBondContact O-N 2.89Å; D168-A171 PolarHBondContact O-N 3.12Å; A171-F173 PolarHBondContact O-N 3.23Å; A171-F174 PolarHBondContact O-N 3.37Å; A171-L279 HydrophobicContact CB-CB 4.1Å; A171-F280 HydrophobicContact CB-CE1 3.95Å; A171-F280 HydrophobicContact CB-CE2 4.16Å; A171-F280 HydrophobicContact CB-CZ 3.74Å
172	Q	98.6	Very high	97.2	Very high	16 Å²	16	29.8 Å²	29.8	8%	0.075	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-63.9	-23.8	-178.7	-50.2	-45.7	-67.4	0	0	113.7	T123 K125 Y126 D168 R169 F170 F174 L175 C176	T123-Q172 HydrophobicContact CG2-CB 3.66Å; T123-Q172 WeakPolarHBondContact OG1-CB 3.49Å; K125-Q172 HydrophobicContact CB-CG 4.13Å; K125-Q172 HydrophobicContact CD-CG 4.12Å; Y126-Q172 HydrophobicContact CD2-CG 3.71Å; Y126-Q172 HydrophobicContact CE2-CG 3.82Å; D168-Q172 WeakPolarHBondContact O-CG 3.13Å; D168-Q172 PolarHBondContact O-N 3.04Å; D168-Q172 PolarHBondContact O-NE2 3.07Å; D168-Q172 PolarHBondContact OD1-NE2 3.34Å; D168-Q172 VanDerWaalsContact OD1-NE2 3.13Å; R169-Q172 PolarHBondContact O-N 2.99Å; F170-Q172 PolarHBondContact O-N 2.88Å; Q172-F174 PolarHBondContact O-N 2.88Å; Q172-L175 PolarHBondContact O-N 3.09Å; Q172-L175 VanDerWaalsContact O-N 3.13Å; Q172-C176 PolarHBondContact O-N 3.22Å
173	F	98.6	Very high	96.7	Very high	5 Å²	5	27 Å²	27	2%	0.022	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-57.3	-33.3	174.8	-71.8	23.4	0	0	0	110.8	L119 F120 T123 Y132 Y154 F170 A171 H250	L119-F173 HydrophobicContact CB-CB 4.09Å; L119-F173 HydrophobicContact CB-CD2 3.67Å; L119-F173 HydrophobicContact CB-CE2 4.25Å; L119-F173 HydrophobicContact CB-CG 3.92Å; L119-F173 HydrophobicContact CD1-CB 3.94Å; L119-F173 HydrophobicContact CD1-CD2 4.48Å; L119-F173 WeakPolarHBondContact O-CD1 3.42Å; L119-F173 WeakPolarHBondContact O-CE1 3.48Å; L119-F173 WeakPolarHBondContact O-CZ 3.4Å; F120-F173 AromaticContact CD1-CE2 3.98Å; F120-F173 HydrophobicContact CD1-CE2 3.98Å; F120-F173 HydrophobicContact CD1-CZ 4.09Å; F120-F173 HydrophobicContact CD2-CE2 4.4Å; F120-F173 HydrophobicContact CE1-CE2 4.17Å; F120-F173 HydrophobicContact CG-CE2 4.11Å; F120-F173 HydrophobicContact CG-CZ 4.3Å; F120-F173 HydrophobicContact CZ-CE2 4.45Å; T123-F173 HydrophobicContact CG2-CD1 4.15Å; Y132-F173 HydrophobicContact CD1-CE1 4.38Å; Y132-F173 HydrophobicContact CD1-CE2 4.47Å; Y132-F173 AromaticContact CD1-CZ 3.6Å; Y132-F173 HydrophobicContact CD1-CZ 3.6Å; Y132-F173 HydrophobicContact CD2-CE1 4.37Å; Y132-F173 HydrophobicContact CD2-CZ 4.25Å; Y132-F173 HydrophobicContact CE1-CE2 4.21Å; Y132-F173 AromaticContact CE1-CZ 3.73Å; Y132-F173 HydrophobicContact CE1-CZ 3.73Å; Y132-F173 HydrophobicContact CE2-CZ 4.38Å; Y132-F173 HydrophobicContact CG-CE1 4.17Å; Y132-F173 AromaticContact CG-CZ 3.84Å; Y132-F173 HydrophobicContact CG-CZ 3.84Å; Y154-F173 HydrophobicContact CD1-CD2 4.38Å; F170-F173 HydrophobicContact CD2-CD2 4.41Å; F170-F173 HydrophobicContact CD2-CE2 4.47Å; F170-F173 VanDerWaalsContact O-CB 3.29Å; F170-F173 WeakPolarHBondContact O-CB 3.39Å; F170-F173 WeakPolarHBondContact O-CG 3.46Å; F170-F173 PolarHBondContact O-N 3.3Å; A171-F173 PolarHBondContact O-N 3.23Å; F173-H250 PolarHBondContact O-NE2 2.93Å
174	F	98.4	Very high	96.4	Very high	6 Å²	6	28 Å²	28	3%	0.026	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-98.1	5.5	-175.5	-45.6	-72.8	0	0	0	112.8	L95 V97 Y154 F170 A171 Q172 Y254 M259 F280	L95-F174 HydrophobicContact CB-CE1 4.47Å; L95-F174 HydrophobicContact CB-CE2 4.1Å; L95-F174 HydrophobicContact CB-CZ 3.93Å; L95-F174 HydrophobicContact CD1-CD1 4.29Å; L95-F174 HydrophobicContact CD1-CD2 3.85Å; L95-F174 HydrophobicContact CD1-CE1 4.43Å; L95-F174 HydrophobicContact CD1-CE2 3.98Å; L95-F174 HydrophobicContact CD1-CG 4.01Å; L95-F174 HydrophobicContact CD1-CZ 4.28Å; L95-F174 HydrophobicContact CD2-CD1 3.92Å; L95-F174 HydrophobicContact CD2-CE1 3.71Å; L95-F174 HydrophobicContact CD2-CG 4.47Å; L95-F174 HydrophobicContact CD2-CZ 4.05Å; L95-F174 HydrophobicContact CG-CE1 4.43Å; L95-F174 HydrophobicContact CG-CE2 4.45Å; L95-F174 HydrophobicContact CG-CZ 4.31Å; V97-F174 HydrophobicContact CG2-CD1 4.48Å; V97-F174 HydrophobicContact CG2-CE1 4.37Å; Y154-F174 AromaticContact CD2-CE1 3.76Å; Y154-F174 HydrophobicContact CD2-CE1 3.76Å; Y154-F174 AromaticContact CD2-CZ 3.87Å; Y154-F174 HydrophobicContact CD2-CZ 3.87Å; Y154-F174 AromaticContact CE2-CE1 3.85Å; Y154-F174 HydrophobicContact CE2-CE1 3.85Å; Y154-F174 HydrophobicContact CE2-CZ 4.37Å; Y154-F174 HydrophobicContact CG-CE1 4.44Å; Y154-F174 HydrophobicContact CG-CZ 4.16Å; F170-F174 HydrophobicContact CD1-CE2 4.06Å; F170-F174 HydrophobicContact CD2-CE2 4.32Å; F170-F174 AromaticContact CE1-CE2 3.8Å; F170-F174 HydrophobicContact CE1-CE2 3.8Å; F170-F174 HydrophobicContact CE1-CZ 4.3Å; F170-F174 HydrophobicContact CE2-CE2 4.08Å; F170-F174 HydrophobicContact CE2-CZ 4.11Å; F170-F174 HydrophobicContact CG-CE2 4.32Å; F170-F174 AromaticContact CZ-CE2 3.81Å; F170-F174 HydrophobicContact CZ-CE2 3.81Å; F170-F174 AromaticContact CZ-CZ 3.88Å; F170-F174 HydrophobicContact CZ-CZ 3.88Å; F170-F174 WeakPolarHBondContact O-CD2 3.42Å; F170-F174 VanDerWaalsContact O-CE2 3.26Å; F170-F174 WeakPolarHBondContact O-CE2 3.19Å; A171-F174 PolarHBondContact O-N 3.37Å; Q172-F174 PolarHBondContact O-N 2.88Å; F174-Y254 HydrophobicContact CD1-CD1 4.1Å; F174-Y254 HydrophobicContact CD1-CE1 4.43Å; F174-M259 HydrophobicContact CB-CE 4.16Å; F174-M259 HydrophobicContact CD1-CE 4.2Å; F174-F280 HydrophobicContact CD2-CE1 4.2Å
175	L	96.4	Very high	96	Very high	52 Å²	52	28 Å²	28	27%	0.272	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-64.7	-178.3	-63.5	172.7	0	0	0	111.9	Q172 E282 V283	Q172-L175 PolarHBondContact O-N 3.09Å; Q172-L175 VanDerWaalsContact O-N 3.13Å; L175-E282 HydrophobicContact CD2-CB 4.47Å; L175-V283 HydrophobicContact CD2-CB 4.32Å; L175-V283 HydrophobicContact CD2-CG2 3.77Å; L175-V283 HydrophobicContact CG-CG2 4.48Å
176	C	94.8	Very high	95.6	Very high	35 Å²	35	29 Å²	29	24%	0.236	15%	0.152	C	C	.	.			trans	-147.7	66.1	-171.2	52.4	0	0	0	0	113.3	T123 E124 Q172	T123-C176 CarbonylContact C-O 3.6Å; T123-C176 VanDerWaalsContact CA-O 3.3Å; T123-C176 WeakPolarHBondContact CA-O 3.49Å; T123-C176 WeakPolarHBondContact CB-O 3.32Å; E124-C176 HydrophobicContact CB-CB 4.06Å; E124-C176 PolarHBondContact N-O 3.39Å; Q172-C176 PolarHBondContact O-N 3.22Å
177	P	97.1	Very high	95.4	Very high	13 Å²	13	29.4 Å²	29.4	8%	0.084	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-62.9	144.6	167.8	29.6	-36.7	0	0	0	111.8	L119 F179	L119-P177 HydrophobicContact CD2-CB 3.63Å; L119-P177 HydrophobicContact CD2-CG 3.8Å; P177-F179 HydrophobicContact CB-CD2 4.25Å; P177-F179 HydrophobicContact CB-CE2 3.96Å; P177-F179 HydrophobicContact CB-CZ 4.14Å; P177-F179 HydrophobicContact CG-CD2 4.04Å; P177-F179 HydrophobicContact CG-CE2 3.41Å; P177-F179 VanDerWaalsContact CG-CE2 3.41Å; P177-F179 HydrophobicContact CG-CZ 3.79Å
178	L	97.1	Very high	95.2	Very high	54 Å²	54	29.5 Å²	29.5	28%	0.283	16%	0.155	S	C	.	.			trans	-77	-32.2	-178.7	-68	179.2	0	0	0	113.3	G122 P127 D180 R243	G122-L178 PolarHBondContact O-N 3.44Å; P127-L178 HydrophobicContact CB-CD1 3.85Å; L178-D180 VanDerWaalsContact C-N 3.28Å; L178-D180 PolarHBondContact O-N 3.3Å; L178-R243 PolarHBondContact O-NH2 3.15Å
179	F	96.9	Very high	94.8	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	16%	0.159	C	C	.	.			trans	42.5	55.1	-165	-62.2	-69.5	0	0	0	111.3	M118 L119 P177 R243 L246 L247 H250	M118-F179 HydrophobicContact CB-CD1 3.64Å; M118-F179 HydrophobicContact CB-CE1 3.82Å; M118-F179 HydrophobicContact CE-CB 4.49Å; M118-F179 HydrophobicContact CE-CD1 4.47Å; M118-F179 HydrophobicContact CG-CD1 4.39Å; L119-F179 HydrophobicContact CD2-CE1 3.8Å; L119-F179 HydrophobicContact CD2-CZ 3.61Å; P177-F179 HydrophobicContact CB-CD2 4.25Å; P177-F179 HydrophobicContact CB-CE2 3.96Å; P177-F179 HydrophobicContact CB-CZ 4.14Å; P177-F179 HydrophobicContact CG-CD2 4.04Å; P177-F179 HydrophobicContact CG-CE2 3.41Å; P177-F179 VanDerWaalsContact CG-CE2 3.41Å; P177-F179 HydrophobicContact CG-CZ 3.79Å; F179-R243 HydrophobicContact CB-CG 4.18Å; F179-R243 WeakPolarHBondContact O-CD 3.27Å; F179-R243 WeakPolarHBondContact O-CG 3.32Å; F179-R243 PolarHBondContact O-NE 3.44Å; F179-L246 HydrophobicContact CD1-CB 3.79Å; F179-L246 HydrophobicContact CD1-CD1 3.95Å; F179-L246 HydrophobicContact CD1-CD2 4.38Å; F179-L246 HydrophobicContact CD1-CG 4.27Å; F179-L246 HydrophobicContact CD2-CB 4.34Å; F179-L246 HydrophobicContact CE1-CB 3.98Å; F179-L246 HydrophobicContact CE1-CD2 4.17Å; F179-L246 HydrophobicContact CE1-CG 4.47Å; F179-L246 HydrophobicContact CE2-CB 4.47Å; F179-L246 HydrophobicContact CG-CB 4Å; F179-L246 HydrophobicContact CZ-CB 4.31Å; F179-L247 HydrophobicContact CD2-CD2 3.69Å; F179-L247 HydrophobicContact CD2-CG 3.89Å; F179-L247 HydrophobicContact CE2-CD2 4.2Å; F179-H250 HydrophobicContact CE2-CB 3.93Å; F179-H250 HydrophobicContact CZ-CB 3.96Å
180	D	94.4	Very high	94.4	Very high	67 Å²	67	28.5 Å²	28.5	36%	0.358	15%	0.152	S	C	.	.			trans	-59.4	142.2	-173.9	170.7	-100.6	0	0	0	112.5	L178 S182 C183 K184	L178-D180 VanDerWaalsContact C-N 3.28Å; L178-D180 PolarHBondContact O-N 3.3Å; D180-S182 PolarHBondContact O-N 3.38Å; D180-S182 WeakPolarHBondContact OD1-CA 3.39Å; D180-S182 WeakPolarHBondContact OD1-CB 3.34Å; D180-S182 PolarHBondContact OD1-N 3.36Å; D180-C183 HydrophobicContact CB-CB 3.97Å; D180-C183 WeakPolarHBondContact O-CB 3.39Å; D180-C183 PolarHBondContact O-N 2.84Å; D180-C183 PolarHBondContact OD1-N 3.17Å; D180-C183 PolarHBondContact OD1-SG 3.08Å; D180-K184 WeakPolarHBondContact O-CB 3.48Å; D180-K184 PolarHBondContact O-N 3.37Å
181	E	91.6	Very high	94.2	Very high	82 Å²	82	28.5 Å²	28.5	38%	0.383	15%	0.152	S	C	.	.	H	α-helix	trans	-65.6	-41	-172.8	-163.4	65.7	-162.1	0	0	111.8	K184 D185 R243	E181-K184 VanDerWaalsContact CD-NZ 3.28Å; E181-K184 WeakPolarHBondContact O-CB 3.21Å; E181-K184 PolarHBondContact O-N 3.02Å; E181-K184 WeakPolarHBondContact OE1-CE 3.34Å; E181-K184 IonicContact OE1-NZ 2.79Å; E181-K184 PolarHBondContact OE1-NZ 3.48Å; E181-K184 WeakPolarHBondContact OE2-CE 3.47Å; E181-K184 IonicContact OE2-NZ 3.33Å; E181-D185 VanDerWaalsContact O-CG 3.28Å; E181-D185 PolarHBondContact O-N 3Å; E181-D185 VanDerWaalsContact O-N 3.16Å; E181-R243 WeakPolarHBondContact OE2-CB 3.48Å; E181-R243 WeakPolarHBondContact OE2-CD 3.15Å
182	S	90.6	Very high	94	Very high	67 Å²	67	30.7 Å²	30.7	47%	0.469	16%	0.164	S	C	.	.	H	α-helix	trans	-74.8	-28	177.3	-179.3	0	0	0	0	112.4	D180 R186	D180-S182 PolarHBondContact O-N 3.38Å; D180-S182 WeakPolarHBondContact OD1-CA 3.39Å; D180-S182 WeakPolarHBondContact OD1-CB 3.34Å; D180-S182 PolarHBondContact OD1-N 3.36Å; S182-R186 PolarHBondContact O-N 2.79Å; S182-R186 PolarHBondContact O-NE 3.42Å
183	C	89.4	Confident	93.6	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.02	17%	0.165	C	C	.	.	H	α-helix	trans	-69.5	-43.2	171.6	-63.4	0	0	0	0	111.3	M118 L121 D180 R186 E187	M118-C183 HydrophobicContact CE-CB 3.94Å; M118-C183 HydrophobicContact SD-CB 4.48Å; L121-C183 HydrophobicContact CB-CB 4.17Å; L121-C183 HydrophobicContact CD1-CB 3.96Å; D180-C183 HydrophobicContact CB-CB 3.97Å; D180-C183 WeakPolarHBondContact O-CB 3.39Å; D180-C183 PolarHBondContact O-N 2.84Å; D180-C183 PolarHBondContact OD1-N 3.17Å; D180-C183 PolarHBondContact OD1-SG 3.08Å; C183-R186 PolarHBondContact O-N 2.93Å; C183-R186 PolarHBondContact SG-NH2 3.05Å; C183-R186 VanDerWaalsContact SG-NH2 3.39Å; C183-E187 PolarHBondContact O-N 3.42Å
184	K	92.1	Very high	93.4	Very high	21 Å²	21	31.4 Å²	31.4	9%	0.091	17%	0.169	C	C	.	.	H	α-helix	trans	-55.9	-53.9	175	170.1	180	57.2	65.7	0	111.4	F114 M118 D180 E181 R186 E187 V188 I242 R243	F114-K184 HydrophobicContact CE1-CG 3.99Å; F114-K184 HydrophobicContact CZ-CB 4.41Å; F114-K184 HydrophobicContact CZ-CG 3.88Å; M118-K184 HydrophobicContact CE-CB 3.98Å; M118-K184 HydrophobicContact SD-CB 4.41Å; D180-K184 WeakPolarHBondContact O-CB 3.48Å; D180-K184 PolarHBondContact O-N 3.37Å; E181-K184 VanDerWaalsContact CD-NZ 3.28Å; E181-K184 WeakPolarHBondContact O-CB 3.21Å; E181-K184 PolarHBondContact O-N 3.02Å; E181-K184 WeakPolarHBondContact OE1-CE 3.34Å; E181-K184 IonicContact OE1-NZ 2.79Å; E181-K184 PolarHBondContact OE1-NZ 3.48Å; E181-K184 WeakPolarHBondContact OE2-CE 3.47Å; E181-K184 IonicContact OE2-NZ 3.33Å; K184-R186 PolarHBondContact O-N 3.15Å; K184-R186 VanDerWaalsContact O-N 3.12Å; K184-E187 PolarHBondContact O-N 3.31Å; K184-V188 PolarHBondContact O-N 2.82Å; K184-I242 HydrophobicContact CD-CB 4.21Å; K184-I242 HydrophobicContact CD-CG2 3.89Å; K184-R243 HydrophobicContact CD-CB 4.35Å
185	D	89.3	Confident	93.3	Very high	79 Å²	79	31.5 Å²	31.5	42%	0.422	17%	0.169	S	C	.	.	H	α-helix	trans	-64.4	-19.5	-176.1	-65.6	-5.4	0	0	0	113.1	E181 N189	E181-D185 VanDerWaalsContact O-CG 3.28Å; E181-D185 PolarHBondContact O-N 3Å; E181-D185 VanDerWaalsContact O-N 3.16Å; D185-N189 PolarHBondContact O-ND2 3.38Å
186	R	90.8	Very high	93.1	Very high	44 Å²	44	31.8 Å²	31.8	17%	0.166	17%	0.169	C	C	.	.	H	α-helix	trans	-90.1	-57.1	173.5	-78	179.8	-67.8	134.9	-10.4	112.5	E129 S182 C183 K184 V188 N189 T830 Q833	E129-R186 VanDerWaalsContact CD-NH1 3.33Å; E129-R186 IonicContact OE1-CZ 2.7Å; E129-R186 IonicContact OE1-NH1 3.87Å; E129-R186 PolarHBondContact OE1-NH1 2.88Å; E129-R186 IonicContact OE1-NH2 2.72Å; E129-R186 IonicContact OE2-CZ 2.77Å; E129-R186 IonicContact OE2-NH1 2.75Å; E129-R186 PolarHBondContact OE2-NH1 3.02Å; E129-R186 IonicContact OE2-NH2 3.18Å; E129-R186 PolarHBondContact OE2-NH2 3.45Å; S182-R186 PolarHBondContact O-N 2.79Å; S182-R186 PolarHBondContact O-NE 3.42Å; C183-R186 PolarHBondContact O-N 2.93Å; C183-R186 PolarHBondContact SG-NH2 3.05Å; C183-R186 VanDerWaalsContact SG-NH2 3.39Å; K184-R186 PolarHBondContact O-N 3.15Å; K184-R186 VanDerWaalsContact O-N 3.12Å; R186-V188 PolarHBondContact O-N 2.96Å; R186-N189 WeakPolarHBondContact O-CB 3.31Å; R186-N189 PolarHBondContact O-N 3.02Å; R186-N189 PolarHBondContact O-ND2 3.01Å; R186-T830 PolarHBondContact NH1-O 2.75Å; R186-Q833 HydrophobicContact CB-CG 3.81Å; R186-Q833 HydrophobicContact CG-CG 4.19Å; R186-Q833 WeakPolarHBondContact O-CG 3.24Å; R186-Q833 PolarHBondContact O-NE2 3.44Å; R186-Q833 PolarHBondContact O-OE1 3.01Å
187	E	93.1	Very high	92.9	Very high	9 Å²	9	31.6 Å²	31.6	4%	0.042	16%	0.164	C	C	.	.	H	α-helix	trans	-72.7	-15.9	-168.7	-163.9	62.3	-167.7	0	0	113.2	H117 M118 L121 C183 K184 N189 A190 V191 R829 Q833	H117-E187 HydrophobicContact CB-CG 3.96Å; H117-E187 IonicContact CE1-OE1 3.69Å; H117-E187 IonicContact ND1-OE1 2.72Å; H117-E187 PolarHBondContact ND1-OE1 2.87Å; M118-E187 HydrophobicContact SD-CB 4.39Å; L121-E187 HydrophobicContact CD1-CB 3.78Å; L121-E187 HydrophobicContact CD1-CG 4Å; C183-E187 PolarHBondContact O-N 3.42Å; K184-E187 PolarHBondContact O-N 3.31Å; E187-N189 PolarHBondContact O-N 2.84Å; E187-A190 VanDerWaalsContact CD-CB 3.45Å; E187-A190 HydrophobicContact CG-CB 4.27Å; E187-A190 WeakPolarHBondContact O-CB 3.35Å; E187-A190 PolarHBondContact O-N 2.7Å; E187-A190 VanDerWaalsContact OE1-CB 3.24Å; E187-A190 WeakPolarHBondContact OE1-CB 3.48Å; E187-V191 PolarHBondContact O-N 2.96Å; E187-R829 IonicContact OE1-CZ 2.67Å; E187-R829 IonicContact OE1-NE 3.7Å; E187-R829 IonicContact OE1-NH2 2.71Å; E187-R829 PolarHBondContact OE1-NH2 3.12Å; E187-Q833 PolarHBondContact OE2-NE2 2.85Å
188	V	94.5	Very high	92.8	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-56.8	-31.6	167	69.1	0	0	0	0	112.4	F114 K184 R186 A190 V191 D192 L231 E232	F114-V188 HydrophobicContact CE2-CB 4.09Å; F114-V188 HydrophobicContact CZ-CB 3.84Å; F114-V188 HydrophobicContact CZ-CG2 4.46Å; K184-V188 PolarHBondContact O-N 2.82Å; R186-V188 PolarHBondContact O-N 2.96Å; V188-A190 VanDerWaalsContact C-N 3.34Å; V188-V191 PolarHBondContact O-N 3.3Å; V188-D192 WeakPolarHBondContact O-CB 3.33Å; V188-D192 PolarHBondContact O-N 3.38Å; V188-L231 HydrophobicContact CG2-CB 3.71Å; V188-L231 HydrophobicContact CG2-CD1 4.43Å; V188-E232 HydrophobicContact CG2-CB 4.3Å
189	N	92.3	Very high	92.6	Very high	42 Å²	42	30.1 Å²	30.1	23%	0.225	16%	0.156	C	C	.	.	H	α-helix	trans	-73.3	-26.3	176.8	-51.4	-84	0	0	0	112.1	D185 R186 E187 S193 K228 Q833	D185-N189 PolarHBondContact O-ND2 3.38Å; R186-N189 WeakPolarHBondContact O-CB 3.31Å; R186-N189 PolarHBondContact O-N 3.02Å; R186-N189 PolarHBondContact O-ND2 3.01Å; E187-N189 PolarHBondContact O-N 2.84Å; N189-S193 VanDerWaalsContact O-CB 3.28Å; N189-S193 WeakPolarHBondContact O-CB 3.34Å; N189-S193 PolarHBondContact O-N 2.87Å; N189-K228 PolarHBondContact OD1-NZ 3.06Å; N189-Q833 HydrophobicContact CB-CB 4.31Å
190	A	88.7	Confident	92.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-71.8	-38.5	172.2	0	0	0	0	0	111.6	E187 V188 S193 E194 Y836	E187-A190 VanDerWaalsContact CD-CB 3.45Å; E187-A190 HydrophobicContact CG-CB 4.27Å; E187-A190 WeakPolarHBondContact O-CB 3.35Å; E187-A190 PolarHBondContact O-N 2.7Å; E187-A190 VanDerWaalsContact OE1-CB 3.24Å; E187-A190 WeakPolarHBondContact OE1-CB 3.48Å; V188-A190 VanDerWaalsContact C-N 3.34Å; A190-S193 PolarHBondContact O-N 3.11Å; A190-E194 PolarHBondContact O-N 2.8Å; A190-Y836 WeakPolarHBondContact O-CD2 3.42Å
191	V	94.6	Very high	92.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.8	-40.5	172.8	179.5	0	0	0	0	111	F114 E187 V188 S193 E194 H195 T225 L231	F114-V191 HydrophobicContact CD2-CG2 4.03Å; E187-V191 PolarHBondContact O-N 2.96Å; V188-V191 PolarHBondContact O-N 3.3Å; V191-S193 PolarHBondContact O-N 2.77Å; V191-E194 WeakPolarHBondContact O-CB 3.45Å; V191-E194 PolarHBondContact O-N 2.94Å; V191-H195 PolarHBondContact O-N 2.73Å; V191-T225 WeakPolarHBondContact CG1-O 3.44Å; V191-L231 HydrophobicContact CB-CD1 4.32Å; V191-L231 HydrophobicContact CG1-CD1 3.77Å
192	D	96	Very high	93	Very high	46 Å²	46	28 Å²	28	25%	0.246	15%	0.146	C	C	.	.	H	α-helix	trans	-60.7	-44.8	174.1	-155.7	50.6	0	0	0	111.7	V188 E194 H195 E196 N227 K228	V188-D192 WeakPolarHBondContact O-CB 3.33Å; V188-D192 PolarHBondContact O-N 3.38Å; D192-E194 VanDerWaalsContact C-N 3.34Å; D192-E194 PolarHBondContact O-N 2.74Å; D192-H195 PolarHBondContact O-N 2.92Å; D192-E196 PolarHBondContact O-N 2.86Å; D192-N227 WeakPolarHBondContact OD1-CB 3.37Å; D192-K228 HydrophobicContact CB-CB 3.99Å; D192-K228 VanDerWaalsContact OD1-CB 3.27Å; D192-K228 WeakPolarHBondContact OD1-CB 3.48Å; D192-K228 PolarHBondContact OD1-N 3.22Å
193	S	89.4	Confident	93.4	Very high	13 Å²	13	28 Å²	28	9%	0.091	15%	0.15	C	C	.	.	H	α-helix	trans	-68.3	-27.3	176	-172.7	0	0	0	0	113.5	N189 A190 V191 K197 Y836	N189-S193 VanDerWaalsContact O-CB 3.28Å; N189-S193 WeakPolarHBondContact O-CB 3.34Å; N189-S193 PolarHBondContact O-N 2.87Å; A190-S193 PolarHBondContact O-N 3.11Å; V191-S193 PolarHBondContact O-N 2.77Å; S193-K197 VanDerWaalsContact O-CB 3.28Å; S193-K197 WeakPolarHBondContact O-CB 3.13Å; S193-K197 PolarHBondContact O-N 3.12Å; S193-K197 VanDerWaalsContact O-N 3.14Å; S193-Y836 PolarHBondContact OG-N 3.48Å
194	E	93.6	Very high	93.8	Very high	22 Å²	22	32 Å²	32	10%	0.103	17%	0.165	C	C	.	.	H	α-helix	trans	-65.8	-46.5	167.5	161.1	103.9	-114.3	0	0	111.1	A190 V191 D192 K197 N198 T225 Y836	A190-E194 PolarHBondContact O-N 2.8Å; V191-E194 WeakPolarHBondContact O-CB 3.45Å; V191-E194 PolarHBondContact O-N 2.94Å; D192-E194 VanDerWaalsContact C-N 3.34Å; D192-E194 PolarHBondContact O-N 2.74Å; E194-K197 VanDerWaalsContact CD-NZ 3.31Å; E194-K197 WeakPolarHBondContact O-CB 3.45Å; E194-K197 WeakPolarHBondContact O-CE 3.5Å; E194-K197 IonicContact OE1-NZ 3.39Å; E194-K197 PolarHBondContact OE1-NZ 3.32Å; E194-K197 IonicContact OE2-NZ 2.94Å; E194-N198 VanDerWaalsContact O-CG 3.26Å; E194-N198 PolarHBondContact O-N 3.01Å; E194-N198 PolarHBondContact O-ND2 2.95Å; E194-T225 HydrophobicContact CG-CG2 3.91Å; E194-Y836 HydrophobicContact CB-CD2 3.71Å; E194-Y836 HydrophobicContact CB-CE2 3.88Å; E194-Y836 HydrophobicContact CB-CG 4.18Å; E194-Y836 HydrophobicContact CG-CE2 4.37Å; E194-Y836 WeakPolarHBondContact OE2-CE2 3.33Å; E194-Y836 PolarHBondContact OE2-OH 3.05Å
195	H	96.3	Very high	94.1	Very high	9 Å²	9	31.7 Å²	31.7	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-64.1	-46.7	177.2	172.2	54.1	0	0	0	112.1	V191 D192 K197 N198 L199 F223 T225 N227 W500	V191-H195 PolarHBondContact O-N 2.73Å; D192-H195 PolarHBondContact O-N 2.92Å; H195-K197 PolarHBondContact O-N 3.02Å; H195-N198 CarbonylContact O-C 3.58Å; H195-N198 WeakPolarHBondContact O-CA 3.37Å; H195-N198 WeakPolarHBondContact O-CB 3.29Å; H195-N198 PolarHBondContact O-N 3.46Å; H195-L199 PolarHBondContact O-N 2.88Å; H195-F223 AromaticContact CE1-CE2 3.78Å; H195-F223 AromaticContact CE1-CZ 3.54Å; H195-F223 AromaticContact CG-CZ 3.84Å; H195-F223 AromaticContact ND1-CE2 3.64Å; H195-F223 AromaticContact ND1-CZ 3.44Å; H195-F223 WeakPolarHBondContact ND1-CZ 3.32Å; H195-F223 AromaticContact NE2-CZ 3.97Å; H195-T225 HydrophobicContact CB-CG2 4.29Å; H195-N227 HydrophobicContact CB-CB 4.17Å; H195-N227 VanDerWaalsContact CD2-CB 3.42Å; H195-N227 WeakPolarHBondContact CD2-CB 3.43Å; H195-N227 PolarHBondContact CD2-ND2 3.11Å; H195-N227 VanDerWaalsContact CD2-ND2 3.31Å; H195-N227 PolarHBondContact NE2-ND2 2.83Å; H195-N227 VanDerWaalsContact NE2-ND2 3.13Å; H195-W500 PolarHBondContact CE1-O 2.81Å; H195-W500 VanDerWaalsContact CE1-O 3.31Å
196	E	91.8	Very high	94.5	Very high	58 Å²	58	29.3 Å²	29.3	27%	0.271	15%	0.151	S	C	.	.	H	α-helix	trans	-59.2	-43.1	177.1	-86	-73.1	134.8	0	0	112.9	D192 N198 L199 H793	D192-E196 PolarHBondContact O-N 2.86Å; E196-N198 PolarHBondContact O-N 3.2Å; E196-L199 VanDerWaalsContact O-CB 3.3Å; E196-L199 WeakPolarHBondContact O-CB 3.28Å; E196-L199 PolarHBondContact O-N 2.89Å; E196-L199 VanDerWaalsContact O-N 3.14Å; E196-H793 VanDerWaalsContact CB-CE1 3.4Å; E196-H793 WeakPolarHBondContact CB-CE1 3.39Å; E196-H793 IonicContact OE2-CE1 2.86Å; E196-H793 PolarHBondContact OE2-CE1 3.16Å; E196-H793 IonicContact OE2-ND1 3.53Å; E196-H793 PolarHBondContact OE2-ND1 2.78Å
197	K	90.9	Very high	94.9	Very high	31 Å²	31	31.6 Å²	31.6	14%	0.135	16%	0.162	C	C	.	.	H	α-helix	trans	-54.4	-35.7	170.2	169.7	-159.5	72.4	-174.4	0	111.9	S193 E194 H195 Q682 Y836 I837	S193-K197 VanDerWaalsContact O-CB 3.28Å; S193-K197 WeakPolarHBondContact O-CB 3.13Å; S193-K197 PolarHBondContact O-N 3.12Å; S193-K197 VanDerWaalsContact O-N 3.14Å; E194-K197 VanDerWaalsContact CD-NZ 3.31Å; E194-K197 WeakPolarHBondContact O-CB 3.45Å; E194-K197 WeakPolarHBondContact O-CE 3.5Å; E194-K197 IonicContact OE1-NZ 3.39Å; E194-K197 PolarHBondContact OE1-NZ 3.32Å; E194-K197 IonicContact OE2-NZ 2.94Å; H195-K197 PolarHBondContact O-N 3.02Å; K197-Q682 PolarHBondContact O-NE2 2.87Å; K197-Y836 HydrophobicContact CD-CD1 4.28Å; K197-Y836 HydrophobicContact CD-CE1 4.46Å; K197-Y836 VanDerWaalsContact NZ-CE1 3.26Å; K197-I837 HydrophobicContact CD-CD1 4.14Å; K197-I837 HydrophobicContact CG-CD1 4.48Å
198	N	94.9	Very high	95.2	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.032	16%	0.16	C	C	.	.	H	α-helix	trans	-86.8	-20	-179.4	-64.5	-20.4	0	0	0	113.1	E194 H195 E196 M200 N201 W204 Y501	E194-N198 VanDerWaalsContact O-CG 3.26Å; E194-N198 PolarHBondContact O-N 3.01Å; E194-N198 PolarHBondContact O-ND2 2.95Å; H195-N198 CarbonylContact O-C 3.58Å; H195-N198 WeakPolarHBondContact O-CA 3.37Å; H195-N198 WeakPolarHBondContact O-CB 3.29Å; H195-N198 PolarHBondContact O-N 3.46Å; E196-N198 PolarHBondContact O-N 3.2Å; N198-M200 VanDerWaalsContact C-N 3.32Å; N198-M200 PolarHBondContact O-N 2.96Å; N198-N201 VanDerWaalsContact O-CB 3.29Å; N198-N201 WeakPolarHBondContact O-CB 3.48Å; N198-N201 PolarHBondContact O-N 2.89Å; N198-W204 HydrophobicContact CB-CB 4.12Å; N198-W204 HydrophobicContact CB-CD2 4.15Å; N198-W204 HydrophobicContact CB-CG 3.73Å; N198-W204 VanDerWaalsContact CG-NE1 3.35Å; N198-W204 PolarHBondContact OD1-NE1 3.16Å; N198-Y501 HydrophobicContact CB-CE1 4.12Å; N198-Y501 WeakPolarHBondContact O-CE1 3.48Å
199	L	94.7	Very high	95.4	Very high	29 Å²	29	31.5 Å²	31.5	15%	0.152	16%	0.161	C	C	.	.	H	α-helix	trans	-54.7	-43.1	-171.7	-164.4	77.3	0	0	0	113.5	H195 E196 R205 W500 Y501	H195-L199 PolarHBondContact O-N 2.88Å; E196-L199 VanDerWaalsContact O-CB 3.3Å; E196-L199 WeakPolarHBondContact O-CB 3.28Å; E196-L199 PolarHBondContact O-N 2.89Å; E196-L199 VanDerWaalsContact O-N 3.14Å; L199-R205 WeakPolarHBondContact O-CD 3.24Å; L199-R205 PolarHBondContact O-NH1 3.07Å; L199-W500 WeakPolarHBondContact CD1-O 3.23Å; L199-Y501 HydrophobicContact CD1-CD1 4.49Å
200	M	94.9	Very high	95.7	Very high	35 Å²	35	31 Å²	31	17%	0.172	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	15	179.3	-59.9	-65.7	163.1	0	0	113.1	N198 I312 V790	N198-M200 VanDerWaalsContact C-N 3.32Å; N198-M200 PolarHBondContact O-N 2.96Å; M200-I312 HydrophobicContact SD-CD1 3.9Å; M200-V790 HydrophobicContact CB-CG1 3.98Å; M200-V790 HydrophobicContact CG-CG1 4.26Å
201	N	97.6	Very high	96.1	Very high	57 Å²	57	31.5 Å²	31.5	31%	0.305	16%	0.16	S	C	.	.			trans	-98.2	116.8	178.9	-174.5	-64.2	0	0	0	111.3	N198 A203 W204 R205	N198-N201 VanDerWaalsContact O-CB 3.29Å; N198-N201 WeakPolarHBondContact O-CB 3.48Å; N198-N201 PolarHBondContact O-N 2.89Å; N201-A203 VanDerWaalsContact C-N 3.26Å; N201-A203 PolarHBondContact O-N 3.24Å; N201-A203 VanDerWaalsContact O-N 3.15Å; N201-A203 WeakPolarHBondContact OD1-CB 3.42Å; N201-A203 PolarHBondContact OD1-N 2.94Å; N201-W204 PolarHBondContact O-N 3.38Å; N201-W204 VanDerWaalsContact O-N 3.16Å; N201-R205 VanDerWaalsContact O-CG 3.22Å; N201-R205 WeakPolarHBondContact O-CG 3.42Å; N201-R205 PolarHBondContact O-N 3.34Å
202	D	98.1	Very high	96.3	Very high	14 Å²	14	33.8 Å²	33.8	8%	0.075	18%	0.179	C	C	.	.	H	α-helix	trans	-56	-32	-176.3	-70.3	-58.4	0	0	0	114.9	L206 P311 I312 K313 I315	D202-L206 WeakPolarHBondContact O-CB 3.46Å; D202-L206 WeakPolarHBondContact O-CD1 3.37Å; D202-L206 WeakPolarHBondContact O-CG 3.48Å; D202-L206 PolarHBondContact O-N 2.85Å; D202-P311 VanDerWaalsContact OD1-CA 3.27Å; D202-P311 WeakPolarHBondContact OD1-CA 3.34Å; D202-P311 WeakPolarHBondContact OD1-CB 3.42Å; D202-I312 PolarHBondContact OD1-N 2.88Å; D202-K313 WeakPolarHBondContact OD2-CB 3.32Å; D202-K313 PolarHBondContact OD2-N 2.97Å; D202-I315 HydrophobicContact CB-CD1 3.81Å
203	A	97.8	Very high	96.4	Very high	67 Å²	67	32 Å²	32	55%	0.554	17%	0.17	S	C	*	.	H	α-helix	trans	-70.4	-43	178.8	0	0	0	0	0	112.2	N201 L206 F207	N201-A203 VanDerWaalsContact C-N 3.26Å; N201-A203 PolarHBondContact O-N 3.24Å; N201-A203 VanDerWaalsContact O-N 3.15Å; N201-A203 WeakPolarHBondContact OD1-CB 3.42Å; N201-A203 PolarHBondContact OD1-N 2.94Å; A203-L206 PolarHBondContact O-N 3.05Å; A203-F207 WeakPolarHBondContact O-CB 3.24Å; A203-F207 PolarHBondContact O-N 2.94Å
204	W	98.1	Very high	96.8	Very high	89 Å²	89	31.7 Å²	31.7	34%	0.337	17%	0.168	S	C	.	.	H	α-helix	trans	-68.4	-38.8	176.1	-74.3	103.8	0	0	0	112.2	N198 N201 F207 Q208 Y501	N198-W204 HydrophobicContact CB-CB 4.12Å; N198-W204 HydrophobicContact CB-CD2 4.15Å; N198-W204 HydrophobicContact CB-CG 3.73Å; N198-W204 VanDerWaalsContact CG-NE1 3.35Å; N198-W204 PolarHBondContact OD1-NE1 3.16Å; N201-W204 PolarHBondContact O-N 3.38Å; N201-W204 VanDerWaalsContact O-N 3.16Å; W204-F207 HydrophobicContact CE3-CD1 4.16Å; W204-F207 HydrophobicContact CZ3-CD1 4.35Å; W204-F207 HydrophobicContact CZ3-CE1 4.32Å; W204-F207 PolarHBondContact O-N 3.07Å; W204-Q208 PolarHBondContact O-N 2.75Å; W204-Y501 HydrophobicContact CB-CD1 4.41Å; W204-Y501 HydrophobicContact CB-CE1 3.65Å
205	R	98.7	Very high	97.1	Very high	13 Å²	13	31.8 Å²	31.8	5%	0.049	17%	0.169	C	C	.	.	H	α-helix	trans	-58	-47.4	174	-67.5	168.1	75.6	73.8	2.1	111.7	L199 N201 L209 Y501 G502 T503	L199-R205 WeakPolarHBondContact O-CD 3.24Å; L199-R205 PolarHBondContact O-NH1 3.07Å; N201-R205 VanDerWaalsContact O-CG 3.22Å; N201-R205 WeakPolarHBondContact O-CG 3.42Å; N201-R205 PolarHBondContact O-N 3.34Å; R205-L209 VanDerWaalsContact O-CB 3.24Å; R205-L209 WeakPolarHBondContact O-CB 3.35Å; R205-L209 PolarHBondContact O-N 3.43Å; R205-Y501 HydrophobicContact CG-CD1 3.92Å; R205-Y501 HydrophobicContact CG-CG 4.24Å; R205-Y501 PolarHBondContact NH1-O 3.18Å; R205-G502 PolarHBondContact NH2-O 3.24Å; R205-T503 HydrophobicContact CB-CG2 4.32Å
206	L	98.6	Very high	97.1	Very high	30 Å²	30	35.7 Å²	35.7	16%	0.157	20%	0.196	C	C	.	.	H	α-helix	trans	-69.9	-37.2	178.3	-68	167.8	0	0	0	112.6	D202 A203 L209 E210 V309 Y319 V486	D202-L206 WeakPolarHBondContact O-CB 3.46Å; D202-L206 WeakPolarHBondContact O-CD1 3.37Å; D202-L206 WeakPolarHBondContact O-CG 3.48Å; D202-L206 PolarHBondContact O-N 2.85Å; A203-L206 PolarHBondContact O-N 3.05Å; L206-L209 PolarHBondContact O-N 3.05Å; L206-E210 WeakPolarHBondContact O-CB 3.44Å; L206-E210 PolarHBondContact O-N 2.99Å; L206-V309 HydrophobicContact CD2-CG1 4.05Å; L206-Y319 HydrophobicContact CD1-CE2 3.95Å; L206-V486 HydrophobicContact CD1-CG2 4.01Å; L206-V486 HydrophobicContact CD2-CG2 3.57Å; L206-V486 HydrophobicContact CG-CG2 4.45Å
207	F	98.2	Very high	97.4	Very high	92 Å²	92	39.7 Å²	39.7	40%	0.404	22%	0.219	S	C	.	.	H	α-helix	trans	-60.7	-46.9	173.9	173.9	-102.4	0	0	0	112.3	A203 W204 K211	A203-F207 WeakPolarHBondContact O-CB 3.24Å; A203-F207 PolarHBondContact O-N 2.94Å; W204-F207 HydrophobicContact CE3-CD1 4.16Å; W204-F207 HydrophobicContact CZ3-CD1 4.35Å; W204-F207 HydrophobicContact CZ3-CE1 4.32Å; W204-F207 PolarHBondContact O-N 3.07Å; F207-K211 HydrophobicContact CD1-CD 4.36Å; F207-K211 HydrophobicContact CE1-CD 4.06Å; F207-K211 VanDerWaalsContact CE1-CE 3.42Å; F207-K211 HydrophobicContact CZ-CD 4.31Å; F207-K211 WeakPolarHBondContact O-CG 3.37Å; F207-K211 PolarHBondContact O-N 2.92Å
208	Q	98.6	Very high	97.8	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	22%	0.215	C	C	.	.	H	α-helix	trans	-73.5	-31.8	177.6	-164.7	62.3	43.2	0	0	112.4	W204 K211 A212 S221 E498 W500 Y501	W204-Q208 PolarHBondContact O-N 2.75Å; Q208-K211 WeakPolarHBondContact O-CB 3.43Å; Q208-K211 PolarHBondContact O-N 2.77Å; Q208-A212 WeakPolarHBondContact O-CB 3.15Å; Q208-A212 PolarHBondContact O-N 2.84Å; Q208-S221 PolarHBondContact NE2-O 3.3Å; Q208-E498 WeakPolarHBondContact CG-OE1 3.39Å; Q208-W500 HydrophobicContact CG-CB 4.29Å; Q208-Y501 HydrophobicContact CB-CD2 3.61Å; Q208-Y501 HydrophobicContact CB-CE2 3.56Å; Q208-Y501 HydrophobicContact CG-CD2 3.83Å; Q208-Y501 HydrophobicContact CG-CE2 3.79Å
209	L	98.8	Very high	97.9	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-66.4	-38.3	174.4	-178.5	64.3	0	0	0	112.7	R205 L206 K211 A212 T213 V309 E498 T503 Y505	R205-L209 VanDerWaalsContact O-CB 3.24Å; R205-L209 WeakPolarHBondContact O-CB 3.35Å; R205-L209 PolarHBondContact O-N 3.43Å; L206-L209 PolarHBondContact O-N 3.05Å; L209-K211 VanDerWaalsContact C-N 3.28Å; L209-K211 PolarHBondContact O-N 3.07Å; L209-A212 PolarHBondContact O-N 2.91Å; L209-T213 HydrophobicContact CD1-CG2 3.9Å; L209-T213 HydrophobicContact CG-CG2 4.42Å; L209-T213 WeakPolarHBondContact O-CB 3.44Å; L209-T213 VanDerWaalsContact O-CG2 3.31Å; L209-T213 WeakPolarHBondContact O-CG2 3.36Å; L209-T213 PolarHBondContact O-N 2.83Å; L209-T213 VanDerWaalsContact O-N 3.12Å; L209-T213 PolarHBondContact O-OG1 2.93Å; L209-V309 HydrophobicContact CD2-CB 4.33Å; L209-V309 HydrophobicContact CD2-CG1 3.73Å; L209-V309 HydrophobicContact CD2-CG2 3.58Å; L209-E498 HydrophobicContact CD1-CB 4.13Å; L209-E498 HydrophobicContact CD1-CG 4.33Å; L209-T503 HydrophobicContact CD2-CG2 4.05Å; L209-Y505 HydrophobicContact CD1-CD1 3.52Å; L209-Y505 HydrophobicContact CD1-CD2 4.12Å; L209-Y505 HydrophobicContact CD1-CE1 3.64Å; L209-Y505 HydrophobicContact CD1-CE2 4.23Å; L209-Y505 HydrophobicContact CD1-CG 3.77Å; L209-Y505 HydrophobicContact CD2-CG 4.4Å
210	E	98.7	Very high	98.1	Very high	31 Å²	31	39.4 Å²	39.4	15%	0.145	22%	0.22	C	C	.	.	H	α-helix	trans	-60.9	-38.8	173.7	-178	-177.6	-127.8	0	0	111.5	L206 T213 F220 F298 K369	L206-E210 WeakPolarHBondContact O-CB 3.44Å; L206-E210 PolarHBondContact O-N 2.99Å; E210-T213 PolarHBondContact O-OG1 3.04Å; E210-F220 HydrophobicContact CG-CE1 4.49Å; E210-F298 HydrophobicContact CG-CZ 3.86Å; E210-K369 IonicContact OE1-NZ 3.34Å; E210-K369 PolarHBondContact OE1-NZ 3.5Å; E210-K369 IonicContact OE2-NZ 3.7Å; E210-K369 PolarHBondContact OE2-NZ 3.37Å
211	K	98.6	Very high	98.2	Very high	12 Å²	12	39.1 Å²	39.1	5%	0.052	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-48	173.8	-67.5	173	159.8	-68.6	0	112.6	F207 Q208 L209 T213 G214 F220	F207-K211 HydrophobicContact CD1-CD 4.36Å; F207-K211 HydrophobicContact CE1-CD 4.06Å; F207-K211 VanDerWaalsContact CE1-CE 3.42Å; F207-K211 HydrophobicContact CZ-CD 4.31Å; F207-K211 WeakPolarHBondContact O-CG 3.37Å; F207-K211 PolarHBondContact O-N 2.92Å; Q208-K211 WeakPolarHBondContact O-CB 3.43Å; Q208-K211 PolarHBondContact O-N 2.77Å; L209-K211 VanDerWaalsContact C-N 3.28Å; L209-K211 PolarHBondContact O-N 3.07Å; K211-T213 PolarHBondContact O-N 3.25Å; K211-G214 PolarHBondContact O-N 3.3Å; K211-F220 HydrophobicContact CB-CD1 4.32Å; K211-F220 HydrophobicContact CB-CE1 4.22Å; K211-F220 WeakPolarHBondContact CB-O 3.37Å; K211-F220 WeakPolarHBondContact CD-O 3.31Å; K211-F220 HydrophobicContact CG-CD1 3.99Å; K211-F220 HydrophobicContact CG-CE1 3.68Å; K211-F220 HydrophobicContact CG-CE2 4.27Å; K211-F220 HydrophobicContact CG-CG 4.42Å; K211-F220 HydrophobicContact CG-CZ 3.83Å; K211-F220 WeakPolarHBondContact CG-O 3.45Å; K211-F220 PolarHBondContact NZ-O 2.99Å
212	A	98.4	Very high	98.2	Very high	48 Å²	48	38.5 Å²	38.5	40%	0.397	22%	0.216	S	C	.	.	H	α-helix	trans	-70.3	-8.5	-178	0	0	0	0	0	114.3	Q208 L209 E498	Q208-A212 WeakPolarHBondContact O-CB 3.15Å; Q208-A212 PolarHBondContact O-N 2.84Å; L209-A212 PolarHBondContact O-N 2.91Å; A212-E498 HydrophobicContact CB-CG 3.89Å
213	T	98.6	Very high	98.3	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.055	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	14.7	179	58.3	0	0	0	0	113.7	L209 E210 K211 Y307 R482 Y505	L209-T213 HydrophobicContact CD1-CG2 3.9Å; L209-T213 HydrophobicContact CG-CG2 4.42Å; L209-T213 WeakPolarHBondContact O-CB 3.44Å; L209-T213 VanDerWaalsContact O-CG2 3.31Å; L209-T213 WeakPolarHBondContact O-CG2 3.36Å; L209-T213 PolarHBondContact O-N 2.83Å; L209-T213 VanDerWaalsContact O-N 3.12Å; L209-T213 PolarHBondContact O-OG1 2.93Å; E210-T213 PolarHBondContact O-OG1 3.04Å; K211-T213 PolarHBondContact O-N 3.25Å; T213-Y307 HydrophobicContact CG2-CD1 4.03Å; T213-Y307 HydrophobicContact CG2-CE1 3.53Å; T213-Y307 PolarHBondContact O-OH 3.31Å; T213-R482 PolarHBondContact O-NH1 3.39Å; T213-R482 PolarHBondContact O-NH2 2.83Å; T213-R482 PolarHBondContact OG1-NH2 2.95Å; T213-Y505 HydrophobicContact CG2-CE2 4.05Å
214	G	97.8	Very high	98.2	Very high	6 Å²	6	35.5 Å²	35.5	6%	0.062	20%	0.195	C	C	.	.	S	Bend	trans	-101.4	-167.9	162.2	0	0	0	0	0	112.4	K211 P216 P297 H302	K211-G214 PolarHBondContact O-N 3.3Å; G214-P216 WeakPolarHBondContact O-CD 3.33Å; G214-P216 VanDerWaalsContact O-N 3.13Å; G214-P297 CarbonylContact C-O 3.53Å; G214-P297 WeakPolarHBondContact CA-O 3.45Å; G214-H302 VanDerWaalsContact C-NE2 3.29Å
215	N	98.4	Very high	98.2	Very high	23 Å²	23	31.9 Å²	31.9	12%	0.123	18%	0.183	C	C	.	.			trans	-59.5	114	177.8	176.4	-1.7	0	0	0	109.1	N217 H218 E295 P297 H302	N215-N217 PolarHBondContact O-N 3.15Å; N215-N217 WeakPolarHBondContact OD1-CB 3.45Å; N215-N217 PolarHBondContact OD1-N 2.91Å; N215-N217 PolarHBondContact OD1-ND2 3.03Å; N215-H218 HydrophobicContact CB-CB 3.97Å; N215-H218 WeakPolarHBondContact O-CB 3.43Å; N215-H218 PolarHBondContact O-N 2.75Å; N215-E295 PolarHBondContact ND2-OE1 3.42Å; N215-P297 PolarHBondContact N-O 2.93Å; N215-H302 WeakPolarHBondContact CA-NE2 3.3Å; N215-H302 PolarHBondContact N-NE2 3.41Å; N215-H302 VanDerWaalsContact N-NE2 3.16Å
216	P	97.5	Very high	98.2	Very high	91 Å²	91	31.3 Å²	31.3	59%	0.591	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-24	-173.8	26.1	-34.7	0	0	0	112.6	G214 H218 S221	G214-P216 WeakPolarHBondContact O-CD 3.33Å; G214-P216 VanDerWaalsContact O-N 3.13Å; P216-H218 VanDerWaalsContact C-N 3.35Å; P216-S221 PolarHBondContact O-OG 3.37Å
217	N	97.4	Very high	98.2	Very high	143 Å²	143	30.5 Å²	30.5	77%	0.765	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-17.7	177.4	-49	-79.9	0	0	0	112.8	N215	N215-N217 PolarHBondContact O-N 3.15Å; N215-N217 WeakPolarHBondContact OD1-CB 3.45Å; N215-N217 PolarHBondContact OD1-N 2.91Å; N215-N217 PolarHBondContact OD1-ND2 3.03Å
218	H	98.4	Very high	98.1	Very high	12 Å²	12	29 Å²	29	6%	0.056	17%	0.169	C	C	.	.	S	Bend	trans	-80.1	132.8	-179.3	-177.1	-94	0	0	0	110.2	N215 P216 F220 S221 E295 F375	N215-H218 HydrophobicContact CB-CB 3.97Å; N215-H218 WeakPolarHBondContact O-CB 3.43Å; N215-H218 PolarHBondContact O-N 2.75Å; P216-H218 VanDerWaalsContact C-N 3.35Å; H218-F220 VanDerWaalsContact ND1-CB 3.3Å; H218-F220 WeakPolarHBondContact ND1-CB 3.31Å; H218-F220 PolarHBondContact ND1-N 3Å; H218-F220 PolarHBondContact O-N 2.8Å; H218-S221 WeakPolarHBondContact O-CB 3.27Å; H218-S221 PolarHBondContact O-N 2.74Å; H218-S221 PolarHBondContact O-OG 2.74Å; H218-E295 PolarHBondContact NE2-O 3.36Å; H218-F375 AromaticContact CE1-CE1 3.53Å
219	P	98.1	Very high	98	Very high	35 Å²	35	32.7 Å²	32.7	23%	0.227	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-54.3	-19.5	-173.1	-31.2	37.9	0	0	0	116.8	L102 S221 K222 F293	L102-P219 HydrophobicContact CB-CB 4.48Å; L102-P219 HydrophobicContact CD2-CB 4.41Å; L102-P219 VanDerWaalsContact CD2-O 3.29Å; L102-P219 WeakPolarHBondContact CD2-O 3.42Å; P219-S221 PolarHBondContact O-N 3.01Å; P219-K222 HydrophobicContact CB-CD 4.44Å; P219-K222 WeakPolarHBondContact O-CB 3.43Å; P219-K222 VanDerWaalsContact O-CG 3.26Å; P219-K222 WeakPolarHBondContact O-CG 3.36Å; P219-K222 PolarHBondContact O-N 3.35Å; P219-F293 HydrophobicContact CB-CD1 4.33Å; P219-F293 HydrophobicContact CB-CE1 3.9Å; P219-F293 HydrophobicContact CG-CD1 4.18Å; P219-F293 HydrophobicContact CG-CE1 3.93Å
220	F	98.3	Very high	98	Very high	12 Å²	12	32.4 Å²	32.4	5%	0.053	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-56.4	-28.3	171.3	-174.1	-108.6	0	0	0	113.6	E210 K211 H218 K222 P297 F298 F375 F377	E210-F220 HydrophobicContact CG-CE1 4.49Å; K211-F220 HydrophobicContact CB-CD1 4.32Å; K211-F220 HydrophobicContact CB-CE1 4.22Å; K211-F220 WeakPolarHBondContact CB-O 3.37Å; K211-F220 WeakPolarHBondContact CD-O 3.31Å; K211-F220 HydrophobicContact CG-CD1 3.99Å; K211-F220 HydrophobicContact CG-CE1 3.68Å; K211-F220 HydrophobicContact CG-CE2 4.27Å; K211-F220 HydrophobicContact CG-CG 4.42Å; K211-F220 HydrophobicContact CG-CZ 3.83Å; K211-F220 WeakPolarHBondContact CG-O 3.45Å; K211-F220 PolarHBondContact NZ-O 2.99Å; H218-F220 VanDerWaalsContact ND1-CB 3.3Å; H218-F220 WeakPolarHBondContact ND1-CB 3.31Å; H218-F220 PolarHBondContact ND1-N 3Å; H218-F220 PolarHBondContact O-N 2.8Å; F220-K222 PolarHBondContact O-N 2.99Å; F220-P297 HydrophobicContact CB-CB 3.85Å; F220-P297 HydrophobicContact CB-CG 4.34Å; F220-P297 HydrophobicContact CD1-CB 3.76Å; F220-P297 HydrophobicContact CD1-CG 4.06Å; F220-P297 HydrophobicContact CG-CB 4.01Å; F220-P297 HydrophobicContact CG-CG 4.17Å; F220-F298 HydrophobicContact CE1-CZ 4.4Å; F220-F375 HydrophobicContact CB-CZ 4.19Å; F220-F375 AromaticContact CD2-CE2 3.96Å; F220-F375 HydrophobicContact CD2-CE2 3.96Å; F220-F375 AromaticContact CD2-CZ 3.76Å; F220-F375 HydrophobicContact CD2-CZ 3.76Å; F220-F375 HydrophobicContact CE2-CE2 4.27Å; F220-F375 HydrophobicContact CE2-CZ 4.48Å; F220-F375 HydrophobicContact CG-CE2 4.45Å; F220-F375 HydrophobicContact CG-CZ 4.19Å; F220-F377 HydrophobicContact CE1-CZ 4.05Å; F220-F377 HydrophobicContact CE2-CE2 4.04Å; F220-F377 HydrophobicContact CE2-CZ 4Å; F220-F377 AromaticContact CZ-CE2 3.9Å; F220-F377 HydrophobicContact CZ-CE2 3.9Å; F220-F377 AromaticContact CZ-CZ 3.66Å; F220-F377 HydrophobicContact CZ-CZ 3.66Å
221	S	97.9	Very high	97.9	Very high	29 Å²	29	31.1 Å²	31.1	20%	0.203	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-63.8	-22.3	179.3	65.8	0	0	0	0	114	Q208 P216 H218 P219	Q208-S221 PolarHBondContact NE2-O 3.3Å; P216-S221 PolarHBondContact O-OG 3.37Å; H218-S221 WeakPolarHBondContact O-CB 3.27Å; H218-S221 PolarHBondContact O-N 2.74Å; H218-S221 PolarHBondContact O-OG 2.74Å; P219-S221 PolarHBondContact O-N 3.01Å
222	K	98.3	Very high	97.9	Very high	45 Å²	45	33.1 Å²	33.1	20%	0.196	19%	0.191	C	C	.	.	S	Bend	trans	-58.3	141.4	-172.7	-68	175.5	-178.9	-177.5	0	113.5	S101 L102 D104 P219 F220 G224	S101-K222 WeakPolarHBondContact O-CD 3.5Å; L102-K222 PolarHBondContact O-NZ 2.82Å; D104-K222 HydrophobicContact CB-CD 4.4Å; D104-K222 PolarHBondContact O-NZ 3.03Å; P219-K222 HydrophobicContact CB-CD 4.44Å; P219-K222 WeakPolarHBondContact O-CB 3.43Å; P219-K222 VanDerWaalsContact O-CG 3.26Å; P219-K222 WeakPolarHBondContact O-CG 3.36Å; P219-K222 PolarHBondContact O-N 3.35Å; F220-K222 PolarHBondContact O-N 2.99Å; K222-G224 PolarHBondContact O-N 3.04Å
223	F	98.3	Very high	97.8	Very high	1 Å²	1	33 Å²	33	0%	0.004	19%	0.185	C	C	.	.			trans	-82.4	94.7	169.8	167.1	-124.1	0	0	0	110.4	S109 H195 T225 G226 N227 T230 W500 Y501	S109-F223 VanDerWaalsContact CB-O 3.31Å; S109-F223 WeakPolarHBondContact CB-O 3.46Å; H195-F223 AromaticContact CE1-CE2 3.78Å; H195-F223 AromaticContact CE1-CZ 3.54Å; H195-F223 AromaticContact CG-CZ 3.84Å; H195-F223 AromaticContact ND1-CE2 3.64Å; H195-F223 AromaticContact ND1-CZ 3.44Å; H195-F223 WeakPolarHBondContact ND1-CZ 3.32Å; H195-F223 AromaticContact NE2-CZ 3.97Å; F223-T225 PolarHBondContact O-N 2.83Å; F223-G226 VanDerWaalsContact CE1-C 3.43Å; F223-G226 VanDerWaalsContact CE1-CA 3.45Å; F223-G226 WeakPolarHBondContact CZ-O 3.48Å; F223-N227 HydrophobicContact CE1-CB 4.23Å; F223-N227 HydrophobicContact CZ-CB 4.36Å; F223-T230 HydrophobicContact CD1-CG2 4.39Å; F223-W500 HydrophobicContact CB-CD2 3.7Å; F223-W500 HydrophobicContact CB-CE3 4.38Å; F223-W500 HydrophobicContact CB-CG 3.83Å; F223-W500 HydrophobicContact CB-CZ2 4.23Å; F223-W500 AromaticContact CD1-CD2 3.51Å; F223-W500 HydrophobicContact CD1-CD2 3.51Å; F223-W500 AromaticContact CD1-CE3 3.29Å; F223-W500 HydrophobicContact CD1-CE3 3.29Å; F223-W500 HydrophobicContact CD1-CG 4.16Å; F223-W500 HydrophobicContact CD1-CH2 4.1Å; F223-W500 HydrophobicContact CD1-CZ2 4.3Å; F223-W500 AromaticContact CD1-CZ3 3.61Å; F223-W500 HydrophobicContact CD1-CZ3 3.61Å; F223-W500 HydrophobicContact CD2-CB 4.15Å; F223-W500 HydrophobicContact CD2-CD2 4.27Å; F223-W500 HydrophobicContact CD2-CG 4.05Å; F223-W500 HydrophobicContact CE1-CD2 4.19Å; F223-W500 AromaticContact CE1-CE3 3.59Å; F223-W500 HydrophobicContact CE1-CE3 3.59Å; F223-W500 AromaticContact CE1-CZ3 3.95Å; F223-W500 HydrophobicContact CE1-CZ3 3.95Å; F223-W500 HydrophobicContact CE2-CB 4.48Å; F223-W500 HydrophobicContact CG-CB 4.31Å; F223-W500 AromaticContact CG-CD2 3.56Å; F223-W500 HydrophobicContact CG-CD2 3.56Å; F223-W500 AromaticContact CG-CE3 3.85Å; F223-W500 HydrophobicContact CG-CE3 3.85Å; F223-W500 AromaticContact CG-CG 3.75Å; F223-W500 HydrophobicContact CG-CG 3.75Å; F223-W500 HydrophobicContact CG-CZ3 4.48Å; F223-W500 HydrophobicContact CZ-CE3 4.38Å; F223-Y501 HydrophobicContact CD2-CE2 4.37Å; F223-Y501 HydrophobicContact CE2-CE2 4.21Å
224	G	97.4	Very high	97.7	Very high	17 Å²	17	36 Å²	36	18%	0.175	20%	0.196	C	C	.	.			trans	-78.5	-11.8	-167.7	0	0	0	0	0	117	S101 K222	S101-G224 VanDerWaalsContact CB-CA 3.48Å; K222-G224 PolarHBondContact O-N 3.04Å
225	T	98.1	Very high	97.6	Very high	13 Å²	13	35.7 Å²	35.7	8%	0.08	19%	0.193	C	C	.	.	S	Bend	trans	-75.4	-39.3	177.6	-43	0	0	0	0	111.5	H113 V191 E194 H195 F223	H113-T225 PolarHBondContact ND1-O 3.19Å; V191-T225 WeakPolarHBondContact CG1-O 3.44Å; E194-T225 HydrophobicContact CG-CG2 3.91Å; H195-T225 HydrophobicContact CB-CG2 4.29Å; F223-T225 PolarHBondContact O-N 2.83Å
226	G	98	Very high	97.4	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.			trans	68.6	167.8	-163.3	0	0	0	0	0	112.9	S109 F223 T230	S109-G226 VanDerWaalsContact O-CA 3.3Å; S109-G226 WeakPolarHBondContact O-CA 3.14Å; F223-G226 VanDerWaalsContact CE1-C 3.43Å; F223-G226 VanDerWaalsContact CE1-CA 3.45Å; F223-G226 WeakPolarHBondContact CZ-O 3.48Å; G226-T230 WeakPolarHBondContact CA-OG1 3.42Å
227	N	97.8	Very high	97.4	Very high	13 Å²	13	42.5 Å²	42.5	7%	0.07	22%	0.224	C	C	.	.			trans	-158.7	180	174.3	62.9	20.6	0	0	0	109.4	D192 H195 F223 L229 T230 L231	D192-N227 WeakPolarHBondContact OD1-CB 3.37Å; H195-N227 HydrophobicContact CB-CB 4.17Å; H195-N227 VanDerWaalsContact CD2-CB 3.42Å; H195-N227 WeakPolarHBondContact CD2-CB 3.43Å; H195-N227 PolarHBondContact CD2-ND2 3.11Å; H195-N227 VanDerWaalsContact CD2-ND2 3.31Å; H195-N227 PolarHBondContact NE2-ND2 2.83Å; H195-N227 VanDerWaalsContact NE2-ND2 3.13Å; F223-N227 HydrophobicContact CE1-CB 4.23Å; F223-N227 HydrophobicContact CZ-CB 4.36Å; N227-L229 PolarHBondContact O-N 3.13Å; N227-L229 WeakPolarHBondContact OD1-CA 3.31Å; N227-L229 VanDerWaalsContact OD1-CB 3.31Å; N227-L229 WeakPolarHBondContact OD1-CB 3.36Å; N227-L229 PolarHBondContact OD1-N 3.25Å; N227-L229 VanDerWaalsContact OD1-N 3.1Å; N227-T230 PolarHBondContact N-OG1 2.81Å; N227-T230 VanDerWaalsContact N-OG1 3.1Å; N227-T230 PolarHBondContact O-N 3.2Å; N227-T230 PolarHBondContact O-OG1 3.05Å; N227-T230 PolarHBondContact OD1-N 3.06Å; N227-L231 WeakPolarHBondContact O-CB 3.2Å; N227-L231 PolarHBondContact O-N 2.9Å
228	K	96.4	Very high	97.3	Very high	60 Å²	60	41 Å²	41	26%	0.261	21%	0.212	S	C	.	.	H	α-helix	trans	-63.5	-23.3	-179.1	-168.2	165.7	-168.9	166.5	0	113.2	N189 D192 E232 T233	N189-K228 PolarHBondContact OD1-NZ 3.06Å; D192-K228 HydrophobicContact CB-CB 3.99Å; D192-K228 VanDerWaalsContact OD1-CB 3.27Å; D192-K228 WeakPolarHBondContact OD1-CB 3.48Å; D192-K228 PolarHBondContact OD1-N 3.22Å; K228-E232 WeakPolarHBondContact CE-OE1 3.31Å; K228-E232 WeakPolarHBondContact CE-OE2 3.4Å; K228-E232 HydrophobicContact CG-CB 4.25Å; K228-E232 IonicContact NZ-OE2 2.64Å; K228-E232 PolarHBondContact O-N 2.85Å; K228-T233 WeakPolarHBondContact O-CB 3.39Å; K228-T233 PolarHBondContact O-N 3.45Å
229	L	97.4	Very high	97.1	Very high	81 Å²	81	43.7 Å²	43.7	42%	0.424	24%	0.244	S	C	.	.	I	π-helix	trans	-68.1	-45.2	170.8	-180	61.4	0	0	0	111.8	N227 T233 R234	N227-L229 PolarHBondContact O-N 3.13Å; N227-L229 WeakPolarHBondContact OD1-CA 3.31Å; N227-L229 VanDerWaalsContact OD1-CB 3.31Å; N227-L229 WeakPolarHBondContact OD1-CB 3.36Å; N227-L229 PolarHBondContact OD1-N 3.25Å; N227-L229 VanDerWaalsContact OD1-N 3.1Å; L229-T233 HydrophobicContact CD1-CG2 4.01Å; L229-R234 WeakPolarHBondContact O-CB 3.5Å; L229-R234 PolarHBondContact O-N 2.84Å
230	T	97.8	Very high	97.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-84.5	-28.5	-176.3	62	0	0	0	0	114.5	S109 F223 G226 N227 P235 W500	S109-T230 WeakPolarHBondContact O-CB 3.41Å; S109-T230 PolarHBondContact O-OG1 2.68Å; F223-T230 HydrophobicContact CD1-CG2 4.39Å; G226-T230 WeakPolarHBondContact CA-OG1 3.42Å; N227-T230 PolarHBondContact N-OG1 2.81Å; N227-T230 VanDerWaalsContact N-OG1 3.1Å; N227-T230 PolarHBondContact O-N 3.2Å; N227-T230 PolarHBondContact O-OG1 3.05Å; N227-T230 PolarHBondContact OD1-N 3.06Å; T230-P235 VanDerWaalsContact O-CD 3.25Å; T230-P235 WeakPolarHBondContact O-CD 3.23Å; T230-P235 WeakPolarHBondContact O-CG 3.33Å; T230-W500 HydrophobicContact CG2-CH2 3.41Å; T230-W500 VanDerWaalsContact CG2-CH2 3.41Å; T230-W500 HydrophobicContact CG2-CZ3 3.45Å; T230-W500 VanDerWaalsContact CG2-CZ3 3.45Å
231	L	97.9	Very high	97	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	26%	0.259	C	S	.	.	I	π-helix	trans	-101.4	-11.7	-172.4	-62.1	172.5	0	0	0	114.4	I108 F114 V188 V191 N227 I242	I108-L231 HydrophobicContact CG2-CD2 4.24Å; F114-L231 HydrophobicContact CB-CD1 3.83Å; F114-L231 HydrophobicContact CB-CD2 3.98Å; F114-L231 HydrophobicContact CD1-CB 4.33Å; F114-L231 HydrophobicContact CD1-CD1 4.24Å; F114-L231 HydrophobicContact CD1-CD2 4.07Å; F114-L231 HydrophobicContact CD1-CG 4.44Å; F114-L231 HydrophobicContact CD2-CD1 4.48Å; F114-L231 HydrophobicContact CG-CD1 3.96Å; F114-L231 HydrophobicContact CG-CD2 4.34Å; V188-L231 HydrophobicContact CG2-CB 3.71Å; V188-L231 HydrophobicContact CG2-CD1 4.43Å; V191-L231 HydrophobicContact CB-CD1 4.32Å; V191-L231 HydrophobicContact CG1-CD1 3.77Å; N227-L231 WeakPolarHBondContact O-CB 3.2Å; N227-L231 PolarHBondContact O-N 2.9Å; L231-I242 WeakPolarHBondContact O-CG1 3.29Å
232	E	96.6	Very high	96.9	Very high	53 Å²	53	45.7 Å²	45.7	25%	0.248	25%	0.251	C	S	.	.	I	π-helix	trans	-138	-67	179.1	-177.3	-153.6	79.3	0	0	111.1	V188 K228 R234 P235 S236	V188-E232 HydrophobicContact CG2-CB 4.3Å; K228-E232 WeakPolarHBondContact CE-OE1 3.31Å; K228-E232 WeakPolarHBondContact CE-OE2 3.4Å; K228-E232 HydrophobicContact CG-CB 4.25Å; K228-E232 IonicContact NZ-OE2 2.64Å; K228-E232 PolarHBondContact O-N 2.85Å; E232-R234 PolarHBondContact O-N 2.95Å; E232-P235 WeakPolarHBondContact O-CD 3.47Å; E232-S236 WeakPolarHBondContact O-CB 3.39Å; E232-S236 PolarHBondContact O-N 2.93Å; E232-S236 PolarHBondContact O-OG 3.27Å; E232-S236 VanDerWaalsContact O-OG 3.09Å
233	T	96.8	Very high	96.9	Very high	46 Å²	46	46.9 Å²	46.9	28%	0.282	26%	0.255	S	S	.	.	I	π-helix	trans	-66.8	-35	-165.2	-74	0	0	0	0	114.4	K228 L229 K237	K228-T233 WeakPolarHBondContact O-CB 3.39Å; K228-T233 PolarHBondContact O-N 3.45Å; L229-T233 HydrophobicContact CD1-CG2 4.01Å; T233-K237 VanDerWaalsContact O-CD 3.26Å; T233-K237 WeakPolarHBondContact O-CD 3.4Å; T233-K237 WeakPolarHBondContact O-CE 3.4Å; T233-K237 VanDerWaalsContact O-CG 3.27Å; T233-K237 WeakPolarHBondContact O-CG 3.43Å
234	R	96.8	Very high	96.9	Very high	71 Å²	71	51.4 Å²	51.4	27%	0.268	28%	0.276	S	S	.	.	H	α-helix	trans	-76.8	-52.6	172.9	179	-167.3	-57.4	174.9	-2	111.2	L229 E232 S236 K237 E238	L229-R234 WeakPolarHBondContact O-CB 3.5Å; L229-R234 PolarHBondContact O-N 2.84Å; E232-R234 PolarHBondContact O-N 2.95Å; R234-S236 VanDerWaalsContact C-N 3.33Å; R234-S236 PolarHBondContact O-N 3.29Å; R234-K237 WeakPolarHBondContact O-CB 3.36Å; R234-K237 PolarHBondContact O-N 3.27Å; R234-E238 WeakPolarHBondContact CD-OE1 3.43Å; R234-E238 HydrophobicContact CG-CG 4.48Å; R234-E238 WeakPolarHBondContact CG-OE1 3.46Å; R234-E238 PolarHBondContact O-N 2.96Å
235	P	96.5	Very high	96.9	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-48.9	-46.9	174.1	-31	35.2	0	0	0	114.7	T230 E232 K237 E238 G239 V240 I242	T230-P235 VanDerWaalsContact O-CD 3.25Å; T230-P235 WeakPolarHBondContact O-CD 3.23Å; T230-P235 WeakPolarHBondContact O-CG 3.33Å; E232-P235 WeakPolarHBondContact O-CD 3.47Å; P235-K237 VanDerWaalsContact C-N 3.27Å; P235-K237 PolarHBondContact O-N 2.93Å; P235-E238 CarbonylContact O-C 3.55Å; P235-E238 PolarHBondContact O-N 2.93Å; P235-E238 VanDerWaalsContact O-N 3.12Å; P235-G239 PolarHBondContact O-N 2.8Å; P235-V240 HydrophobicContact CB-CB 4.03Å; P235-V240 HydrophobicContact CB-CG1 4.36Å; P235-V240 PolarHBondContact O-N 3.36Å; P235-I242 HydrophobicContact CB-CD1 3.75Å; P235-I242 HydrophobicContact CB-CG1 3.44Å; P235-I242 VanDerWaalsContact CB-CG1 3.44Å; P235-I242 HydrophobicContact CG-CD1 3.53Å; P235-I242 HydrophobicContact CG-CG1 3.71Å
236	S	94.3	Very high	96.9	Very high	92 Å²	92	52 Å²	52	64%	0.643	27%	0.273	S	S	*	.	H	α-helix	trans	-64.4	-26.9	178.5	-60.2	0	0	0	0	114	E232 R234	E232-S236 WeakPolarHBondContact O-CB 3.39Å; E232-S236 PolarHBondContact O-N 2.93Å; E232-S236 PolarHBondContact O-OG 3.27Å; E232-S236 VanDerWaalsContact O-OG 3.09Å; R234-S236 VanDerWaalsContact C-N 3.33Å; R234-S236 PolarHBondContact O-N 3.29Å
237	K	96.1	Very high	96.9	Very high	164 Å²	164	54.6 Å²	54.6	71%	0.713	29%	0.287	S	S	*	.	H	α-helix	trans	-79.9	-29.9	174.1	-70.5	168.9	-171.5	169.6	0	112.5	T233 R234 P235	T233-K237 VanDerWaalsContact O-CD 3.26Å; T233-K237 WeakPolarHBondContact O-CD 3.4Å; T233-K237 WeakPolarHBondContact O-CE 3.4Å; T233-K237 VanDerWaalsContact O-CG 3.27Å; T233-K237 WeakPolarHBondContact O-CG 3.43Å; R234-K237 WeakPolarHBondContact O-CB 3.36Å; R234-K237 PolarHBondContact O-N 3.27Å; P235-K237 VanDerWaalsContact C-N 3.27Å; P235-K237 PolarHBondContact O-N 2.93Å
238	E	95.7	Very high	96.9	Very high	111 Å²	111	58.5 Å²	58.5	52%	0.519	31%	0.306	S	S	.	.	H	α-helix	trans	-85.5	-10.5	178	-69.1	174.5	-165.3	0	0	112.7	R234 P235 V240	R234-E238 WeakPolarHBondContact CD-OE1 3.43Å; R234-E238 HydrophobicContact CG-CG 4.48Å; R234-E238 WeakPolarHBondContact CG-OE1 3.46Å; R234-E238 PolarHBondContact O-N 2.96Å; P235-E238 CarbonylContact O-C 3.55Å; P235-E238 PolarHBondContact O-N 2.93Å; P235-E238 VanDerWaalsContact O-N 3.12Å; E238-V240 HydrophobicContact CB-CG2 4.03Å
239	G	95.6	Very high	97	Very high	70 Å²	70	56 Å²	56	72%	0.722	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	21.1	-178.3	0	0	0	0	0	113.8	P235	P235-G239 PolarHBondContact O-N 2.8Å
240	V	96.4	Very high	97.1	Very high	33 Å²	33	52.8 Å²	52.8	20%	0.2	28%	0.278	C	S	.	.			trans	-88	123.6	-178	176.1	0	0	0	0	110.2	I108 P235 E238 I242 E245	I108-V240 HydrophobicContact CD1-CG1 3.93Å; P235-V240 HydrophobicContact CB-CB 4.03Å; P235-V240 HydrophobicContact CB-CG1 4.36Å; P235-V240 PolarHBondContact O-N 3.36Å; E238-V240 HydrophobicContact CB-CG2 4.03Å; V240-I242 HydrophobicContact CG1-CD1 4.48Å; V240-I242 PolarHBondContact O-N 3.23Å; V240-E245 HydrophobicContact CG1-CG 3.58Å
241	D	96.4	Very high	97.1	Very high	74 Å²	74	56 Å²	56	40%	0.396	30%	0.3	S	S	.	.			trans	-83.4	99.2	173.5	-178.4	-22.7	0	0	0	109.7	R243 Q244 E245	D241-R243 PolarHBondContact O-N 2.99Å; D241-R243 WeakPolarHBondContact OD1-CA 3.37Å; D241-R243 VanDerWaalsContact OD1-CB 3.3Å; D241-R243 WeakPolarHBondContact OD1-CB 3.27Å; D241-R243 PolarHBondContact OD1-N 2.71Å; D241-Q244 HydrophobicContact CB-CB 4.29Å; D241-Q244 HydrophobicContact CB-CG 3.92Å; D241-Q244 PolarHBondContact O-N 2.94Å; D241-Q244 PolarHBondContact OD1-N 3.5Å; D241-Q244 VanDerWaalsContact OD1-N 3.14Å; D241-Q244 WeakPolarHBondContact OD2-CG 3.43Å; D241-E245 PolarHBondContact O-N 3.47Å
242	I	97	Very high	97.1	Very high	10 Å²	10	58.9 Å²	58.9	5%	0.051	32%	0.318	C	S	.	.	H	α-helix	trans	-62.2	-23.5	-178.5	-72.2	-76.3	0	0	0	112.8	I108 F114 K184 L231 P235 V240 E245 L246	I108-I242 HydrophobicContact CD1-CD1 4Å; I108-I242 HydrophobicContact CG1-CD1 4.45Å; I108-I242 HydrophobicContact CG2-CD1 3.54Å; F114-I242 HydrophobicContact CD1-CG2 4.23Å; F114-I242 HydrophobicContact CE1-CG2 3.89Å; K184-I242 HydrophobicContact CD-CB 4.21Å; K184-I242 HydrophobicContact CD-CG2 3.89Å; L231-I242 WeakPolarHBondContact O-CG1 3.29Å; P235-I242 HydrophobicContact CB-CD1 3.75Å; P235-I242 HydrophobicContact CB-CG1 3.44Å; P235-I242 VanDerWaalsContact CB-CG1 3.44Å; P235-I242 HydrophobicContact CG-CD1 3.53Å; P235-I242 HydrophobicContact CG-CG1 3.71Å; V240-I242 HydrophobicContact CG1-CD1 4.48Å; V240-I242 PolarHBondContact O-N 3.23Å; I242-E245 PolarHBondContact O-N 3.25Å; I242-L246 HydrophobicContact CG2-CD1 4.19Å; I242-L246 HydrophobicContact CG2-CG 4.43Å; I242-L246 WeakPolarHBondContact O-CB 3.44Å; I242-L246 VanDerWaalsContact O-CG 3.27Å; I242-L246 WeakPolarHBondContact O-CG 3.49Å; I242-L246 PolarHBondContact O-N 2.79Å
243	R	97.1	Very high	97.2	Very high	70 Å²	70	59.3 Å²	59.3	26%	0.264	32%	0.318	S	S	.	.	H	α-helix	trans	-71.8	-37.6	173.3	-175.5	177.6	176.3	-73.9	-14.5	111.1	L178 F179 E181 K184 D241 L247	L178-R243 PolarHBondContact O-NH2 3.15Å; F179-R243 HydrophobicContact CB-CG 4.18Å; F179-R243 WeakPolarHBondContact O-CD 3.27Å; F179-R243 WeakPolarHBondContact O-CG 3.32Å; F179-R243 PolarHBondContact O-NE 3.44Å; E181-R243 WeakPolarHBondContact OE2-CB 3.48Å; E181-R243 WeakPolarHBondContact OE2-CD 3.15Å; K184-R243 HydrophobicContact CD-CB 4.35Å; D241-R243 PolarHBondContact O-N 2.99Å; D241-R243 WeakPolarHBondContact OD1-CA 3.37Å; D241-R243 VanDerWaalsContact OD1-CB 3.3Å; D241-R243 WeakPolarHBondContact OD1-CB 3.27Å; D241-R243 PolarHBondContact OD1-N 2.71Å; R243-L247 HydrophobicContact CG-CD1 4.43Å; R243-L247 WeakPolarHBondContact O-CB 3.4Å; R243-L247 WeakPolarHBondContact O-CG 3.47Å; R243-L247 PolarHBondContact O-N 2.89Å
244	Q	97.8	Very high	97.3	Very high	97 Å²	97	57.1 Å²	57.1	45%	0.453	31%	0.305	S	S	.	.	H	α-helix	trans	-69.3	-36.5	171.2	-55.3	-55.4	-37.9	0	0	111.8	D241 L247 M248	D241-Q244 HydrophobicContact CB-CB 4.29Å; D241-Q244 HydrophobicContact CB-CG 3.92Å; D241-Q244 PolarHBondContact O-N 2.94Å; D241-Q244 PolarHBondContact OD1-N 3.5Å; D241-Q244 VanDerWaalsContact OD1-N 3.14Å; D241-Q244 WeakPolarHBondContact OD2-CG 3.43Å; Q244-L247 PolarHBondContact O-N 3.26Å; Q244-M248 WeakPolarHBondContact O-CB 3.31Å; Q244-M248 PolarHBondContact O-N 2.95Å
245	E	98.2	Very high	97.4	Very high	41 Å²	41	53.8 Å²	53.8	19%	0.192	29%	0.292	C	S	.	.	H	α-helix	trans	-65.6	-39.9	175.9	-65.2	-66.6	142.5	0	0	111.9	I108 L111 V240 D241 I242 M248 F249	I108-E245 HydrophobicContact CD1-CB 3.98Å; I108-E245 HydrophobicContact CD1-CG 3.56Å; L111-E245 HydrophobicContact CD2-CB 4.09Å; V240-E245 HydrophobicContact CG1-CG 3.58Å; D241-E245 PolarHBondContact O-N 3.47Å; I242-E245 PolarHBondContact O-N 3.25Å; E245-M248 VanDerWaalsContact CD-CE 3.48Å; E245-M248 PolarHBondContact O-N 2.95Å; E245-M248 WeakPolarHBondContact OE1-CE 3.43Å; E245-M248 WeakPolarHBondContact OE2-CE 3.41Å; E245-F249 VanDerWaalsContact O-CB 3.24Å; E245-F249 WeakPolarHBondContact O-CB 3.45Å; E245-F249 PolarHBondContact O-N 2.83Å
246	L	98.4	Very high	97.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-46.9	171.4	-76.3	167	0	0	0	112.1	L111 F114 C115 M118 F179 I242 M248 F249 H250	L111-L246 HydrophobicContact CD1-CD2 3.66Å; L111-L246 HydrophobicContact CD1-CG 3.93Å; F114-L246 HydrophobicContact CD1-CD1 4.15Å; F114-L246 HydrophobicContact CD1-CD2 4.32Å; F114-L246 HydrophobicContact CE1-CD1 4.09Å; C115-L246 HydrophobicContact CB-CD2 3.8Å; M118-L246 HydrophobicContact CG-CD1 4.22Å; F179-L246 HydrophobicContact CD1-CB 3.79Å; F179-L246 HydrophobicContact CD1-CD1 3.95Å; F179-L246 HydrophobicContact CD1-CD2 4.38Å; F179-L246 HydrophobicContact CD1-CG 4.27Å; F179-L246 HydrophobicContact CD2-CB 4.34Å; F179-L246 HydrophobicContact CE1-CB 3.98Å; F179-L246 HydrophobicContact CE1-CD2 4.17Å; F179-L246 HydrophobicContact CE1-CG 4.47Å; F179-L246 HydrophobicContact CE2-CB 4.47Å; F179-L246 HydrophobicContact CG-CB 4Å; F179-L246 HydrophobicContact CZ-CB 4.31Å; I242-L246 HydrophobicContact CG2-CD1 4.19Å; I242-L246 HydrophobicContact CG2-CG 4.43Å; I242-L246 WeakPolarHBondContact O-CB 3.44Å; I242-L246 VanDerWaalsContact O-CG 3.27Å; I242-L246 WeakPolarHBondContact O-CG 3.49Å; I242-L246 PolarHBondContact O-N 2.79Å; L246-M248 VanDerWaalsContact C-N 3.34Å; L246-M248 PolarHBondContact O-N 3.03Å; L246-F249 PolarHBondContact O-N 3.37Å; L246-H250 WeakPolarHBondContact O-CB 3.29Å; L246-H250 PolarHBondContact O-N 2.76Å
247	L	98.2	Very high	97.6	Very high	55 Å²	55	51.5 Å²	51.5	29%	0.288	27%	0.272	S	S	.	.	H	α-helix	trans	-61.9	-39.6	175	-78.1	165.6	0	0	0	112.2	F179 R243 Q244 S251	F179-L247 HydrophobicContact CD2-CD2 3.69Å; F179-L247 HydrophobicContact CD2-CG 3.89Å; F179-L247 HydrophobicContact CE2-CD2 4.2Å; R243-L247 HydrophobicContact CG-CD1 4.43Å; R243-L247 WeakPolarHBondContact O-CB 3.4Å; R243-L247 WeakPolarHBondContact O-CG 3.47Å; R243-L247 PolarHBondContact O-N 2.89Å; Q244-L247 PolarHBondContact O-N 3.26Å; L247-S251 WeakPolarHBondContact O-CB 3.24Å; L247-S251 PolarHBondContact O-N 3.24Å
248	M	98.3	Very high	97.8	Very high	96 Å²	96	43.8 Å²	43.8	47%	0.473	24%	0.239	S	C	.	.	H	α-helix	trans	-71.3	-41.3	178	-177.9	167.3	59.1	0	0	111.2	Q244 E245 L246 S251 T252	Q244-M248 WeakPolarHBondContact O-CB 3.31Å; Q244-M248 PolarHBondContact O-N 2.95Å; E245-M248 VanDerWaalsContact CD-CE 3.48Å; E245-M248 PolarHBondContact O-N 2.95Å; E245-M248 WeakPolarHBondContact OE1-CE 3.43Å; E245-M248 WeakPolarHBondContact OE2-CE 3.41Å; L246-M248 VanDerWaalsContact C-N 3.34Å; L246-M248 PolarHBondContact O-N 3.03Å; M248-S251 PolarHBondContact O-N 3Å; M248-T252 VanDerWaalsContact O-CB 3.24Å; M248-T252 WeakPolarHBondContact O-CB 3.37Å; M248-T252 PolarHBondContact O-N 3.03Å; M248-T252 PolarHBondContact O-OG1 3.31Å
249	F	98.4	Very high	97.9	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-63.7	-47.4	176.2	-169.6	-88.5	0	0	0	111.3	I99 L111 A112 C115 E245 L246 T252 Y253 Y254	I99-F249 HydrophobicContact CG2-CE1 3.87Å; I99-F249 HydrophobicContact CG2-CZ 3.54Å; L111-F249 HydrophobicContact CD2-CB 3.98Å; L111-F249 HydrophobicContact CD2-CD2 3.99Å; L111-F249 HydrophobicContact CD2-CG 4.2Å; L111-F249 HydrophobicContact CG-CB 4.42Å; L111-F249 HydrophobicContact CG-CD2 4.37Å; L111-F249 HydrophobicContact CG-CG 4.39Å; A112-F249 HydrophobicContact CB-CE1 3.96Å; A112-F249 HydrophobicContact CB-CZ 3.65Å; C115-F249 HydrophobicContact CB-CD1 4.38Å; E245-F249 VanDerWaalsContact O-CB 3.24Å; E245-F249 WeakPolarHBondContact O-CB 3.45Å; E245-F249 PolarHBondContact O-N 2.83Å; L246-F249 PolarHBondContact O-N 3.37Å; F249-T252 PolarHBondContact O-N 3.07Å; F249-Y253 HydrophobicContact CD1-CD2 4.19Å; F249-Y253 AromaticContact CD2-CD2 3.56Å; F249-Y253 HydrophobicContact CD2-CD2 3.56Å; F249-Y253 AromaticContact CD2-CE2 3.68Å; F249-Y253 HydrophobicContact CD2-CE2 3.68Å; F249-Y253 HydrophobicContact CE1-CD2 4.15Å; F249-Y253 AromaticContact CE2-CD2 3.52Å; F249-Y253 HydrophobicContact CE2-CD2 3.52Å; F249-Y253 AromaticContact CE2-CE2 3.58Å; F249-Y253 HydrophobicContact CE2-CE2 3.58Å; F249-Y253 AromaticContact CG-CD2 3.9Å; F249-Y253 HydrophobicContact CG-CD2 3.9Å; F249-Y253 HydrophobicContact CG-CE2 4.44Å; F249-Y253 AromaticContact CZ-CD2 3.82Å; F249-Y253 HydrophobicContact CZ-CD2 3.82Å; F249-Y253 HydrophobicContact CZ-CE2 4.26Å; F249-Y253 WeakPolarHBondContact O-CB 3.35Å; F249-Y253 WeakPolarHBondContact O-CD2 3.06Å; F249-Y253 PolarHBondContact O-N 2.86Å; F249-Y254 HydrophobicContact CD1-CE2 4.15Å; F249-Y254 HydrophobicContact CE1-CE2 4.05Å
250	H	98.6	Very high	98.1	Very high	14 Å²	14	35.2 Å²	35.2	7%	0.065	18%	0.18	C	C	.	.	H	α-helix	trans	-61	-50.1	173.6	-174	-84.5	0	0	0	111.2	F173 F179 L246 T252 Y253 Y254	F173-H250 PolarHBondContact O-NE2 2.93Å; F179-H250 HydrophobicContact CE2-CB 3.93Å; F179-H250 HydrophobicContact CZ-CB 3.96Å; L246-H250 WeakPolarHBondContact O-CB 3.29Å; L246-H250 PolarHBondContact O-N 2.76Å; H250-T252 PolarHBondContact O-N 3Å; H250-Y253 PolarHBondContact O-N 2.76Å; H250-Y254 HydrophobicContact CB-CD2 4.4Å; H250-Y254 AromaticContact CD2-CD1 3.59Å; H250-Y254 AromaticContact CD2-CG 3.55Å; H250-Y254 AromaticContact NE2-CD1 3.8Å; H250-Y254 AromaticContact NE2-CG 3.96Å; H250-Y254 WeakPolarHBondContact O-CA 3.38Å; H250-Y254 VanDerWaalsContact O-CB 3.26Å; H250-Y254 WeakPolarHBondContact O-CB 3.48Å; H250-Y254 PolarHBondContact O-N 2.93Å
251	S	97.9	Very high	98.2	Very high	68 Å²	68	33.7 Å²	33.7	48%	0.476	17%	0.171	S	C	.	.	H	α-helix	trans	-58.1	-45	177.6	-173.4	0	0	0	0	112.2	L247 M248 K286	L247-S251 WeakPolarHBondContact O-CB 3.24Å; L247-S251 PolarHBondContact O-N 3.24Å; M248-S251 PolarHBondContact O-N 3Å; S251-K286 WeakPolarHBondContact O-CD 3Å; S251-K286 WeakPolarHBondContact O-CE 3.37Å; S251-K286 PolarHBondContact O-NZ 3.38Å
252	T	97.9	Very high	98.3	Very high	65 Å²	65	30.1 Å²	30.1	40%	0.399	15%	0.152	S	C	.	.	H	α-helix	trans	-70.1	-44.5	179.9	-63.8	0	0	0	0	113	M248 F249 H250 V288	M248-T252 VanDerWaalsContact O-CB 3.24Å; M248-T252 WeakPolarHBondContact O-CB 3.37Å; M248-T252 PolarHBondContact O-N 3.03Å; M248-T252 PolarHBondContact O-OG1 3.31Å; F249-T252 PolarHBondContact O-N 3.07Å; H250-T252 PolarHBondContact O-N 3Å; T252-V288 WeakPolarHBondContact O-CG2 3.39Å
253	Y	98.5	Very high	98.4	Very high	61 Å²	61	29.7 Å²	29.7	24%	0.239	15%	0.149	C	C	.	.	H	α-helix	trans	-107.7	-26.2	-164.6	-69.1	-59.2	0	0	0	115.4	I99 F249 H250 S255 V288	I99-Y253 HydrophobicContact CD1-CD1 3.45Å; I99-Y253 VanDerWaalsContact CD1-CD1 3.45Å; I99-Y253 HydrophobicContact CD1-CE1 3.75Å; I99-Y253 HydrophobicContact CD1-CG 4.06Å; I99-Y253 HydrophobicContact CG1-CD1 3.67Å; I99-Y253 HydrophobicContact CG1-CE1 4.46Å; I99-Y253 HydrophobicContact CG1-CG 3.96Å; I99-Y253 HydrophobicContact CG2-CD1 4.46Å; I99-Y253 HydrophobicContact CG2-CD2 4.37Å; I99-Y253 HydrophobicContact CG2-CG 4.02Å; F249-Y253 HydrophobicContact CD1-CD2 4.19Å; F249-Y253 AromaticContact CD2-CD2 3.56Å; F249-Y253 HydrophobicContact CD2-CD2 3.56Å; F249-Y253 AromaticContact CD2-CE2 3.68Å; F249-Y253 HydrophobicContact CD2-CE2 3.68Å; F249-Y253 HydrophobicContact CE1-CD2 4.15Å; F249-Y253 AromaticContact CE2-CD2 3.52Å; F249-Y253 HydrophobicContact CE2-CD2 3.52Å; F249-Y253 AromaticContact CE2-CE2 3.58Å; F249-Y253 HydrophobicContact CE2-CE2 3.58Å; F249-Y253 AromaticContact CG-CD2 3.9Å; F249-Y253 HydrophobicContact CG-CD2 3.9Å; F249-Y253 HydrophobicContact CG-CE2 4.44Å; F249-Y253 AromaticContact CZ-CD2 3.82Å; F249-Y253 HydrophobicContact CZ-CD2 3.82Å; F249-Y253 HydrophobicContact CZ-CE2 4.26Å; F249-Y253 WeakPolarHBondContact O-CB 3.35Å; F249-Y253 WeakPolarHBondContact O-CD2 3.06Å; F249-Y253 PolarHBondContact O-N 2.86Å; H250-Y253 PolarHBondContact O-N 2.76Å; Y253-S255 PolarHBondContact O-N 2.85Å; Y253-V288 HydrophobicContact CD1-CG1 4.2Å
254	Y	98.6	Very high	98.5	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	14%	0.137	C	C	.	.			trans	-82.8	77.9	179.1	-71.3	-123.1	0	0	0	107.6	V97 L119 Y154 F174 F249 H250 M259 K286	V97-Y254 HydrophobicContact CG2-CD1 4.03Å; V97-Y254 HydrophobicContact CG2-CE1 3.89Å; L119-Y254 HydrophobicContact CD1-CD1 4.42Å; L119-Y254 HydrophobicContact CD1-CE1 3.81Å; Y154-Y254 HydrophobicContact CE2-CE1 4.15Å; Y154-Y254 PolarHBondContact OH-OH 3.12Å; F174-Y254 HydrophobicContact CD1-CD1 4.1Å; F174-Y254 HydrophobicContact CD1-CE1 4.43Å; F249-Y254 HydrophobicContact CD1-CE2 4.15Å; F249-Y254 HydrophobicContact CE1-CE2 4.05Å; H250-Y254 HydrophobicContact CB-CD2 4.4Å; H250-Y254 AromaticContact CD2-CD1 3.59Å; H250-Y254 AromaticContact CD2-CG 3.55Å; H250-Y254 AromaticContact NE2-CD1 3.8Å; H250-Y254 AromaticContact NE2-CG 3.96Å; H250-Y254 WeakPolarHBondContact O-CA 3.38Å; H250-Y254 VanDerWaalsContact O-CB 3.26Å; H250-Y254 WeakPolarHBondContact O-CB 3.48Å; H250-Y254 PolarHBondContact O-N 2.93Å; Y254-M259 HydrophobicContact CD1-CE 4.42Å; Y254-K286 PolarHBondContact O-NZ 2.9Å
255	S	98.7	Very high	98.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.			trans	-117.5	136.2	-179.2	178.1	0	0	0	0	109.5	Y253 N257 L258 K286 V288	Y253-S255 PolarHBondContact O-N 2.85Å; S255-N257 PolarHBondContact O-N 2.85Å; S255-N257 PolarHBondContact OG-OD1 2.73Å; S255-L258 PolarHBondContact O-N 3.03Å; S255-K286 PolarHBondContact OG-N 3.39Å; S255-V288 VanDerWaalsContact CB-CG2 3.47Å
256	A	98.4	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-53.2	-33	-177.3	0	0	0	0	0	113.9	N76 L78 L258 M259 V283 E284	N76-A256 HydrophobicContact CB-CB 3.66Å; N76-A256 WeakPolarHBondContact ND2-CB 3.43Å; N76-A256 CarbonylContact O-C 3.55Å; N76-A256 VanDerWaalsContact O-CB 3.22Å; N76-A256 WeakPolarHBondContact O-CB 3.45Å; L78-A256 WeakPolarHBondContact CA-O 3.42Å; L78-A256 HydrophobicContact CB-CB 4.25Å; L78-A256 PolarHBondContact N-O 3.44Å; A256-L258 PolarHBondContact O-N 2.93Å; A256-L258 VanDerWaalsContact O-N 3.16Å; A256-M259 PolarHBondContact O-N 3.41Å; A256-M259 VanDerWaalsContact O-N 3.1Å; A256-V283 HydrophobicContact CB-CB 4.18Å; A256-V283 HydrophobicContact CB-CG1 3.94Å; A256-E284 PolarHBondContact N-O 2.91Å
257	N	98.3	Very high	98.6	Very high	45 Å²	45	25.8 Å²	25.8	24%	0.241	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-69.1	-8.6	178.6	82.1	-89.5	0	0	0	115.1	N76 S255 N285 N287 V288	N76-N257 PolarHBondContact O-N 3.47Å; S255-N257 PolarHBondContact O-N 2.85Å; S255-N257 PolarHBondContact OG-OD1 2.73Å; N257-N285 WeakPolarHBondContact CB-OD1 3.41Å; N257-N285 PolarHBondContact OD1-OD1 2.62Å; N257-N287 WeakPolarHBondContact OD1-CA 3.25Å; N257-N287 PolarHBondContact OD1-N 3.29Å; N257-V288 PolarHBondContact ND2-O 3.48Å; N257-V288 PolarHBondContact OD1-N 2.85Å
258	L	98.6	Very high	98.6	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-109.3	14.1	174.3	-61.3	-174.3	0	0	0	112.1	V97 H98 I99 S255 A256 V288 V290 H447	V97-L258 WeakPolarHBondContact CA-O 3.26Å; H98-L258 HydrophobicContact CB-CB 4.3Å; H98-L258 PolarHBondContact N-O 3.1Å; I99-L258 HydrophobicContact CG1-CD1 3.93Å; S255-L258 PolarHBondContact O-N 3.03Å; A256-L258 PolarHBondContact O-N 2.93Å; A256-L258 VanDerWaalsContact O-N 3.16Å; L258-V288 HydrophobicContact CD1-CB 3.77Å; L258-V288 HydrophobicContact CD1-CG1 3.73Å; L258-V288 HydrophobicContact CG-CB 4.22Å; L258-V290 HydrophobicContact CD2-CB 4.35Å; L258-V290 HydrophobicContact CD2-CG2 3.62Å; L258-H447 PolarHBondContact O-CE1 3.11Å; L258-H447 VanDerWaalsContact O-CE1 3.26Å
259	M	98.8	Very high	98.6	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.7	-173.6	-64.3	-177	177.1	0	0	113.1	L78 K79 L95 D96 V97 F174 Y254 A256 V283	L78-M259 HydrophobicContact CD1-CB 3.89Å; L78-M259 HydrophobicContact CD1-SD 4.42Å; L78-M259 HydrophobicContact CG-CB 4.12Å; K79-M259 PolarHBondContact N-O 3.17Å; L95-M259 HydrophobicContact CD1-SD 4.04Å; L95-M259 HydrophobicContact CD2-CB 4.1Å; L95-M259 HydrophobicContact CD2-CG 3.9Å; L95-M259 HydrophobicContact CD2-SD 4.02Å; L95-M259 HydrophobicContact CG-CB 4.45Å; D96-M259 WeakPolarHBondContact O-CA 3.49Å; V97-M259 HydrophobicContact CG2-CE 4.2Å; V97-M259 HydrophobicContact CG2-CG 4.36Å; F174-M259 HydrophobicContact CB-CE 4.16Å; F174-M259 HydrophobicContact CD1-CE 4.2Å; Y254-M259 HydrophobicContact CD1-CE 4.42Å; A256-M259 PolarHBondContact O-N 3.41Å; A256-M259 VanDerWaalsContact O-N 3.1Å; M259-V283 HydrophobicContact CE-CG1 4.16Å; M259-V283 HydrophobicContact SD-CG1 3.88Å
260	G	98.8	Very high	98.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.4	167	0	0	0	0	0	110	K79 L95 D96 A443 H447	K79-G260 WeakPolarHBondContact O-CA 3.48Å; L95-G260 WeakPolarHBondContact CA-O 3.28Å; D96-G260 PolarHBondContact N-O 3.47Å; D96-G260 PolarHBondContact O-N 2.94Å; G260-A443 WeakPolarHBondContact O-CB 3.47Å; G260-H447 PolarHBondContact N-CE1 3.08Å
261	L	98.9	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.2	-178.3	176.7	75	0	0	0	110.6	L78 K79 A80 M81 A94 L95 V263 V276 F280 L446	L78-L261 HydrophobicContact CD2-CB 4.13Å; L78-L261 HydrophobicContact CD2-CD2 4.4Å; K79-L261 PolarHBondContact O-N 3.45Å; A80-L261 CarbonylContact C-O 3.42Å; A80-L261 WeakPolarHBondContact CA-O 3.23Å; A80-L261 HydrophobicContact CB-CB 4.14Å; A80-L261 HydrophobicContact CB-CD2 4.25Å; M81-L261 PolarHBondContact N-O 2.75Å; A94-L261 CarbonylContact O-C 3.53Å; A94-L261 WeakPolarHBondContact O-CA 3.36Å; A94-L261 WeakPolarHBondContact O-CD1 3.3Å; L95-L261 HydrophobicContact CB-CD1 4Å; L95-L261 HydrophobicContact CD1-CD1 4.17Å; L95-L261 HydrophobicContact CG-CD1 4.36Å; L261-V263 HydrophobicContact CD1-CG2 4.19Å; L261-V263 HydrophobicContact CD2-CG2 4.11Å; L261-V263 HydrophobicContact CG-CG2 4.01Å; L261-V276 HydrophobicContact CD2-CB 4.43Å; L261-V276 HydrophobicContact CD2-CG1 3.37Å; L261-V276 HydrophobicContact CD2-CG2 4.14Å; L261-F280 HydrophobicContact CD1-CD1 4.48Å; L261-F280 HydrophobicContact CD1-CE1 4.01Å; L261-F280 HydrophobicContact CD1-CE2 4.19Å; L261-F280 HydrophobicContact CD1-CZ 3.85Å; L261-F280 HydrophobicContact CD2-CB 4.4Å; L261-F280 HydrophobicContact CD2-CD1 4.24Å; L261-F280 HydrophobicContact CD2-CD2 3.68Å; L261-F280 HydrophobicContact CD2-CE1 4.47Å; L261-F280 HydrophobicContact CD2-CE2 3.95Å; L261-F280 HydrophobicContact CD2-CG 3.84Å; L261-F280 HydrophobicContact CD2-CZ 4.34Å; L261-L446 WeakPolarHBondContact O-CD1 3.46Å
262	C	98.9	Very high	98.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.5	168.1	-168	0	0	0	0	110.6	M81 I83 A93 A94 T439 V442 A443	M81-C262 WeakPolarHBondContact O-CA 3.38Å; I83-C262 VanDerWaalsContact CD1-SG 3.54Å; A93-C262 CarbonylContact C-O 3.57Å; A93-C262 WeakPolarHBondContact CA-O 3.45Å; A93-C262 WeakPolarHBondContact CB-O 3.32Å; A94-C262 PolarHBondContact N-O 3.44Å; A94-C262 PolarHBondContact O-N 2.9Å; C262-T439 HydrophobicContact CB-CG2 4.37Å; C262-T439 WeakPolarHBondContact CB-O 3.48Å; C262-V442 HydrophobicContact CB-CB 4.2Å; C262-V442 HydrophobicContact CB-CG1 4.08Å; C262-V442 VanDerWaalsContact SG-CG1 3.58Å; C262-A443 HydrophobicContact CB-CB 4.27Å
263	V	98.9	Very high	98.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.5	177.3	-174.5	0	0	0	0	110	M81 L82 I83 A93 L163 L167 L261 L272 V276	M81-V263 PolarHBondContact O-N 3.09Å; L82-V263 CarbonylContact C-O 3.43Å; L82-V263 WeakPolarHBondContact CA-O 3.38Å; L82-V263 HydrophobicContact CD2-CB 4.23Å; I83-V263 PolarHBondContact N-O 3.34Å; A93-V263 HydrophobicContact CB-CB 4.45Å; A93-V263 HydrophobicContact CB-CG1 4.4Å; A93-V263 HydrophobicContact CB-CG2 3.99Å; L163-V263 HydrophobicContact CD1-CG1 4.33Å; L163-V263 HydrophobicContact CD2-CG1 4.13Å; L167-V263 HydrophobicContact CD1-CG2 4.3Å; L167-V263 HydrophobicContact CD2-CG1 4.19Å; L167-V263 HydrophobicContact CD2-CG2 4.39Å; L261-V263 HydrophobicContact CD1-CG2 4.19Å; L261-V263 HydrophobicContact CD2-CG2 4.11Å; L261-V263 HydrophobicContact CG-CG2 4.01Å; V263-L272 HydrophobicContact CG1-CD2 4.18Å; V263-V276 HydrophobicContact CB-CG2 4.34Å; V263-V276 HydrophobicContact CG2-CG2 3.7Å
264	L	98.9	Very high	98.6	Very high	2 Å²	2	25 Å²	25	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.9	178.3	-174.4	161.1	0	0	0	110	I83 D85 T88 S91 S92 P435 T439	I83-L264 HydrophobicContact CB-CB 4.01Å; I83-L264 HydrophobicContact CB-CD1 4.22Å; I83-L264 HydrophobicContact CB-CG 3.94Å; I83-L264 HydrophobicContact CD1-CB 4.49Å; I83-L264 HydrophobicContact CD1-CD1 4.29Å; I83-L264 HydrophobicContact CG2-CD1 3.98Å; I83-L264 HydrophobicContact CG2-CG 4.01Å; I83-L264 VanDerWaalsContact O-CA 3.26Å; I83-L264 WeakPolarHBondContact O-CA 3.42Å; D85-L264 HydrophobicContact CB-CD2 4.3Å; T88-L264 HydrophobicContact CG2-CD2 3.96Å; S91-L264 CarbonylContact C-O 3.57Å; S91-L264 VanDerWaalsContact CA-O 3.26Å; S91-L264 WeakPolarHBondContact CA-O 3.26Å; S91-L264 VanDerWaalsContact CB-O 3.24Å; S91-L264 WeakPolarHBondContact CB-O 3.3Å; S92-L264 PolarHBondContact N-O 3.43Å; S92-L264 PolarHBondContact O-N 2.91Å; L264-P435 HydrophobicContact CD1-CB 4.04Å; L264-P435 HydrophobicContact CD1-CG 4.29Å; L264-P435 HydrophobicContact CD2-CB 4.13Å; L264-P435 HydrophobicContact CD2-CG 4.17Å; L264-T439 HydrophobicContact CB-CG2 3.83Å
265	G	98.8	Very high	98.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	179.4	-179.7	0	0	0	0	0	113.9	I83 D85 S91 E267	I83-G265 PolarHBondContact O-N 3.07Å; D85-G265 CarbonylContact C-O 3.47Å; D85-G265 PolarHBondContact N-O 3.24Å; S91-G265 WeakPolarHBondContact OG-CA 3.46Å; G265-E267 VanDerWaalsContact CA-OE2 3.28Å; G265-E267 WeakPolarHBondContact CA-OE2 3.42Å
266	R	98.6	Very high	98.4	Very high	88 Å²	88	26.3 Å²	26.3	33%	0.332	14%	0.139	S	C	.	.	S	Bend	trans	-84.4	-24	163.7	-78.1	-160.5	-179.7	168	10	112.3	P86 T88 D89 H160	P86-R266 WeakPolarHBondContact O-CD 3.27Å; P86-R266 PolarHBondContact O-NE 3.46Å; T88-R266 HydrophobicContact CG2-CG 3.98Å; T88-R266 PolarHBondContact O-NE 3.27Å; T88-R266 PolarHBondContact O-NH2 3.23Å; D89-R266 IonicContact OD1-NH2 2.68Å; H160-R266 HydrophobicContact CB-CG 4.12Å; H160-R266 PolarHBondContact CD2-NH2 3.41Å; H160-R266 VanDerWaalsContact CD2-NH2 3.31Å; H160-R266 PolarHBondContact CE1-NH1 3.01Å; H160-R266 VanDerWaalsContact CE1-NH1 3.29Å; H160-R266 PolarHBondContact NE2-NH1 2.79Å; H160-R266 VanDerWaalsContact NE2-NH1 3.14Å; H160-R266 PolarHBondContact NE2-NH2 2.95Å; H160-R266 VanDerWaalsContact NE2-NH2 3.18Å
267	E	98.8	Very high	98.3	Very high	36 Å²	36	29 Å²	29	17%	0.168	15%	0.151	C	C	.	.	S	Bend	trans	-59.4	151.4	-177.6	-58.7	94.3	139.7	0	0	110.8	S84 G265 E271 L272 M275	S84-E267 WeakPolarHBondContact CB-O 3.41Å; S84-E267 PolarHBondContact OG-O 3.43Å; G265-E267 VanDerWaalsContact CA-OE2 3.28Å; G265-E267 WeakPolarHBondContact CA-OE2 3.42Å; E267-E271 HydrophobicContact CB-CB 4.02Å; E267-L272 HydrophobicContact CB-CD2 4Å; E267-L272 HydrophobicContact CB-CG 4.02Å; E267-M275 HydrophobicContact CB-CE 4.42Å; E267-M275 HydrophobicContact CG-CE 3.8Å
268	S	98.7	Very high	98.1	Very high	46 Å²	46	32.6 Å²	32.6	32%	0.322	17%	0.171	S	C	.	.			trans	-63.7	158.6	178.4	65.7	0	0	0	0	111.3	D270 E271 L272	S268-D270 PolarHBondContact O-N 3.01Å; S268-D270 VanDerWaalsContact O-N 3.13Å; S268-E271 VanDerWaalsContact CB-OE2 3.23Å; S268-E271 WeakPolarHBondContact CB-OE2 3.19Å; S268-E271 PolarHBondContact N-OE2 3.29Å; S268-E271 PolarHBondContact O-N 3.38Å; S268-E271 VanDerWaalsContact O-N 3.13Å; S268-E271 WeakPolarHBondContact OG-CG 3.31Å; S268-E271 PolarHBondContact OG-N 3.12Å; S268-E271 PolarHBondContact OG-OE2 3.36Å; S268-L272 WeakPolarHBondContact O-CG 3.45Å; S268-L272 PolarHBondContact O-N 2.84Å
269	L	98.6	Very high	98	Very high	31 Å²	31	33.3 Å²	33.3	16%	0.162	17%	0.174	C	C	.	.	H	α-helix	trans	-58.8	-27	177	-66	171.6	0	0	0	112.7	D68 Y69 R70 L82 T273	D68-L269 HydrophobicContact CB-CD1 4.03Å; Y69-L269 WeakPolarHBondContact O-CD1 3.31Å; R70-L269 HydrophobicContact CB-CB 4.45Å; R70-L269 HydrophobicContact CB-CD1 4.2Å; R70-L269 HydrophobicContact CB-CD2 4.01Å; R70-L269 HydrophobicContact CB-CG 4.46Å; R70-L269 PolarHBondContact NH1-O 2.87Å; L82-L269 HydrophobicContact CB-CD2 3.99Å; L269-T273 WeakPolarHBondContact O-CB 3.49Å; L269-T273 PolarHBondContact O-N 3.21Å; L269-T273 PolarHBondContact O-OG1 2.92Å
270	D	98.1	Very high	97.9	Very high	106 Å²	106	33.2 Å²	33.2	57%	0.567	17%	0.174	S	C	*	.	H	α-helix	trans	-75.3	-42.7	175.8	-64.8	-30.7	0	0	0	112.1	R70 S268 T273 A274	R70-D270 IonicContact CZ-OD1 3.2Å; R70-D270 IonicContact NH1-OD1 3.26Å; R70-D270 PolarHBondContact NH1-OD1 3.17Å; R70-D270 IonicContact NH2-OD1 2.67Å; R70-D270 PolarHBondContact NH2-OD1 2.9Å; S268-D270 PolarHBondContact O-N 3.01Å; S268-D270 VanDerWaalsContact O-N 3.13Å; D270-T273 WeakPolarHBondContact O-CB 3.44Å; D270-T273 PolarHBondContact O-N 2.94Å; D270-A274 PolarHBondContact O-N 2.93Å
271	E	98.3	Very high	97.6	Very high	106 Å²	106	34.4 Å²	34.4	50%	0.495	19%	0.187	S	C	.	.	H	α-helix	trans	-62.6	-47.3	172.7	-71.4	161.4	127.8	0	0	110.9	E267 S268 T273 A274 M275	E267-E271 HydrophobicContact CB-CB 4.02Å; S268-E271 VanDerWaalsContact CB-OE2 3.23Å; S268-E271 WeakPolarHBondContact CB-OE2 3.19Å; S268-E271 PolarHBondContact N-OE2 3.29Å; S268-E271 PolarHBondContact O-N 3.38Å; S268-E271 VanDerWaalsContact O-N 3.13Å; S268-E271 WeakPolarHBondContact OG-CG 3.31Å; S268-E271 PolarHBondContact OG-N 3.12Å; S268-E271 PolarHBondContact OG-OE2 3.36Å; E271-T273 VanDerWaalsContact C-N 3.28Å; E271-T273 PolarHBondContact O-N 3.11Å; E271-A274 PolarHBondContact O-N 3.38Å; E271-A274 VanDerWaalsContact O-N 3.13Å; E271-M275 WeakPolarHBondContact O-CG 3.43Å; E271-M275 PolarHBondContact O-N 3.17Å
272	L	98.6	Very high	97.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-34.8	175.1	-67.4	175.3	0	0	0	112.3	L82 L163 V263 E267 S268 M275 V276	L82-L272 HydrophobicContact CB-CB 4.41Å; L82-L272 HydrophobicContact CD1-CB 3.95Å; L82-L272 HydrophobicContact CD2-CB 4.31Å; L82-L272 HydrophobicContact CG-CB 4.46Å; L163-L272 HydrophobicContact CD2-CD2 3.81Å; V263-L272 HydrophobicContact CG1-CD2 4.18Å; E267-L272 HydrophobicContact CB-CD2 4Å; E267-L272 HydrophobicContact CB-CG 4.02Å; S268-L272 WeakPolarHBondContact O-CG 3.45Å; S268-L272 PolarHBondContact O-N 2.84Å; L272-M275 HydrophobicContact CD2-SD 4.23Å; L272-M275 PolarHBondContact O-N 2.7Å; L272-V276 WeakPolarHBondContact O-CG2 3.48Å; L272-V276 PolarHBondContact O-N 2.81Å; L272-V276 VanDerWaalsContact O-N 3.1Å
273	T	98.3	Very high	97.1	Very high	15 Å²	15	42 Å²	42	9%	0.092	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-49.6	172.6	-60	0	0	0	0	110	R70 L72 L82 L269 D270 E271 M275 V276 E277	R70-T273 PolarHBondContact NH1-OG1 2.76Å; L72-T273 HydrophobicContact CD1-CG2 4.11Å; L72-T273 HydrophobicContact CD2-CG2 4.4Å; L82-T273 VanDerWaalsContact CD1-OG1 3.28Å; L82-T273 WeakPolarHBondContact CD1-OG1 3.47Å; L269-T273 WeakPolarHBondContact O-CB 3.49Å; L269-T273 PolarHBondContact O-N 3.21Å; L269-T273 PolarHBondContact O-OG1 2.92Å; D270-T273 WeakPolarHBondContact O-CB 3.44Å; D270-T273 PolarHBondContact O-N 2.94Å; E271-T273 VanDerWaalsContact C-N 3.28Å; E271-T273 PolarHBondContact O-N 3.11Å; T273-M275 PolarHBondContact O-N 2.94Å; T273-V276 PolarHBondContact O-N 3.08Å; T273-E277 HydrophobicContact CG2-CG 4.27Å; T273-E277 WeakPolarHBondContact O-CB 3.31Å; T273-E277 WeakPolarHBondContact O-CG 3.34Å; T273-E277 PolarHBondContact O-N 3.28Å
274	A	97.1	Very high	97	Very high	44 Å²	44	48.1 Å²	48.1	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-63.5	-38.3	178.6	0	0	0	0	0	112.9	D270 E271 N278	D270-A274 PolarHBondContact O-N 2.93Å; E271-A274 PolarHBondContact O-N 3.38Å; E271-A274 VanDerWaalsContact O-N 3.13Å; A274-N278 WeakPolarHBondContact O-CB 3.33Å; A274-N278 PolarHBondContact O-N 2.98Å; A274-N278 VanDerWaalsContact O-N 3.12Å; A274-N278 PolarHBondContact O-ND2 2.77Å
275	M	96.8	Very high	97	Very high	30 Å²	30	50.2 Å²	50.2	15%	0.148	26%	0.262	C	S	.	.	H	α-helix	trans	-59.9	-48.3	174.8	-67.8	-173.8	-176.8	0	0	111.4	L163 Q164 E267 E271 L272 T273 L279	L163-M275 HydrophobicContact CD2-SD 4.4Å; Q164-M275 VanDerWaalsContact OE1-CG 3.31Å; E267-M275 HydrophobicContact CB-CE 4.42Å; E267-M275 HydrophobicContact CG-CE 3.8Å; E271-M275 WeakPolarHBondContact O-CG 3.43Å; E271-M275 PolarHBondContact O-N 3.17Å; L272-M275 HydrophobicContact CD2-SD 4.23Å; L272-M275 PolarHBondContact O-N 2.7Å; T273-M275 PolarHBondContact O-N 2.94Å; M275-L279 WeakPolarHBondContact O-CB 3.44Å; M275-L279 WeakPolarHBondContact O-CG 3.24Å; M275-L279 PolarHBondContact O-N 2.96Å
276	V	97.2	Very high	96.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-73.2	-37	-177.6	176.7	0	0	0	0	111.9	F74 L82 L261 V263 L272 T273 N278 L279 F280	F74-V276 HydrophobicContact CE2-CG1 4.11Å; F74-V276 HydrophobicContact CZ-CG1 3.71Å; L82-V276 HydrophobicContact CD2-CB 4.43Å; L82-V276 HydrophobicContact CD2-CG2 3.8Å; L261-V276 HydrophobicContact CD2-CB 4.43Å; L261-V276 HydrophobicContact CD2-CG1 3.37Å; L261-V276 HydrophobicContact CD2-CG2 4.14Å; V263-V276 HydrophobicContact CB-CG2 4.34Å; V263-V276 HydrophobicContact CG2-CG2 3.7Å; L272-V276 WeakPolarHBondContact O-CG2 3.48Å; L272-V276 PolarHBondContact O-N 2.81Å; L272-V276 VanDerWaalsContact O-N 3.1Å; T273-V276 PolarHBondContact O-N 3.08Å; V276-N278 VanDerWaalsContact C-N 3.34Å; V276-N278 PolarHBondContact O-N 3.06Å; V276-L279 PolarHBondContact O-N 3.24Å; V276-F280 HydrophobicContact CG1-CB 4.27Å; V276-F280 HydrophobicContact CG1-CD2 3.99Å; V276-F280 HydrophobicContact CG1-CG 4.48Å; V276-F280 PolarHBondContact O-N 3.03Å
277	E	95.8	Very high	96.9	Very high	55 Å²	55	54.5 Å²	54.5	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-58.9	-43.9	173.4	-79.6	-163.8	129.6	0	0	112.4	A51 V52 F74 T273 G281	A51-E277 HydrophobicContact CB-CG 4.29Å; V52-E277 HydrophobicContact CG2-CG 3.84Å; V52-E277 WeakPolarHBondContact CG2-OE1 3.38Å; V52-E277 PolarHBondContact N-OE1 3.47Å; V52-E277 VanDerWaalsContact N-OE1 3.08Å; F74-E277 HydrophobicContact CE1-CG 4.09Å; F74-E277 HydrophobicContact CZ-CG 4.09Å; T273-E277 HydrophobicContact CG2-CG 4.27Å; T273-E277 WeakPolarHBondContact O-CB 3.31Å; T273-E277 WeakPolarHBondContact O-CG 3.34Å; T273-E277 PolarHBondContact O-N 3.28Å; E277-G281 WeakPolarHBondContact O-CA 3.4Å; E277-G281 PolarHBondContact O-N 3.12Å
278	N	94.8	Very high	96.8	Very high	122 Å²	122	53.7 Å²	53.7	65%	0.652	29%	0.286	S	S	*	.	H	α-helix	trans	-73.5	-26.8	-180	-72.4	-60.6	0	0	0	113.9	A274 V276	A274-N278 WeakPolarHBondContact O-CB 3.33Å; A274-N278 PolarHBondContact O-N 2.98Å; A274-N278 VanDerWaalsContact O-N 3.12Å; A274-N278 PolarHBondContact O-ND2 2.77Å; V276-N278 VanDerWaalsContact C-N 3.34Å; V276-N278 PolarHBondContact O-N 3.06Å
279	L	96.4	Very high	96.8	Very high	16 Å²	16	56.6 Å²	56.6	8%	0.084	30%	0.304	C	S	.	.	H	α-helix	trans	-99.7	-32.8	-175.1	-69.2	-179.4	0	0	0	114.6	L167 D168 A171 M275 V276	L167-L279 HydrophobicContact CB-CD1 4.02Å; L167-L279 HydrophobicContact CD2-CD1 3.9Å; L167-L279 HydrophobicContact CG-CD1 3.65Å; D168-L279 HydrophobicContact CB-CD1 4.35Å; D168-L279 HydrophobicContact CB-CD2 4.01Å; A171-L279 HydrophobicContact CB-CB 4.1Å; M275-L279 WeakPolarHBondContact O-CB 3.44Å; M275-L279 WeakPolarHBondContact O-CG 3.24Å; M275-L279 PolarHBondContact O-N 2.96Å; V276-L279 PolarHBondContact O-N 3.24Å
280	F	96.6	Very high	96.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-115.8	-7.9	-174.5	-62.8	-89.4	0	0	0	113.5	N76 L78 L95 L167 F170 A171 F174 L261 V276 E282 V283	N76-F280 PolarHBondContact ND2-O 3.39Å; L78-F280 HydrophobicContact CD1-CB 4.17Å; L78-F280 HydrophobicContact CD1-CD1 4.47Å; L95-F280 HydrophobicContact CD1-CD1 3.93Å; L95-F280 HydrophobicContact CD1-CE1 3.69Å; L167-F280 HydrophobicContact CD1-CE2 3.79Å; L167-F280 HydrophobicContact CD1-CZ 3.95Å; L167-F280 HydrophobicContact CD2-CE2 4.4Å; L167-F280 HydrophobicContact CG-CE2 3.97Å; L167-F280 HydrophobicContact CG-CZ 4.46Å; F170-F280 HydrophobicContact CD1-CZ 4.19Å; A171-F280 HydrophobicContact CB-CE1 3.95Å; A171-F280 HydrophobicContact CB-CE2 4.16Å; A171-F280 HydrophobicContact CB-CZ 3.74Å; F174-F280 HydrophobicContact CD2-CE1 4.2Å; L261-F280 HydrophobicContact CD1-CD1 4.48Å; L261-F280 HydrophobicContact CD1-CE1 4.01Å; L261-F280 HydrophobicContact CD1-CE2 4.19Å; L261-F280 HydrophobicContact CD1-CZ 3.85Å; L261-F280 HydrophobicContact CD2-CB 4.4Å; L261-F280 HydrophobicContact CD2-CD1 4.24Å; L261-F280 HydrophobicContact CD2-CD2 3.68Å; L261-F280 HydrophobicContact CD2-CE1 4.47Å; L261-F280 HydrophobicContact CD2-CE2 3.95Å; L261-F280 HydrophobicContact CD2-CG 3.84Å; L261-F280 HydrophobicContact CD2-CZ 4.34Å; V276-F280 HydrophobicContact CG1-CB 4.27Å; V276-F280 HydrophobicContact CG1-CD2 3.99Å; V276-F280 HydrophobicContact CG1-CG 4.48Å; V276-F280 PolarHBondContact O-N 3.03Å; F280-E282 PolarHBondContact O-N 2.99Å; F280-V283 HydrophobicContact CD1-CG2 4.37Å; F280-V283 PolarHBondContact O-N 3.47Å
281	G	92.7	Very high	96.7	Very high	26 Å²	26	53.9 Å²	53.9	27%	0.268	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.7	170.4	0	0	0	0	0	113.8	E277	E277-G281 WeakPolarHBondContact O-CA 3.4Å; E277-G281 PolarHBondContact O-N 3.12Å
282	E	91.7	Very high	96.6	Very high	156 Å²	156	54.9 Å²	54.9	73%	0.729	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-10.7	178.4	-58.7	-165.5	151	0	0	113.8	L175 F280 E284	L175-E282 HydrophobicContact CD2-CB 4.47Å; F280-E282 PolarHBondContact O-N 2.99Å; E282-E284 PolarHBondContact O-N 3.32Å
283	V	95.4	Very high	96.6	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.024	30%	0.301	C	S	.	.	S	Bend	trans	-66.4	128.4	179.2	-175.2	0	0	0	0	110	N76 L175 A256 M259 F280	N76-V283 PolarHBondContact ND2-O 2.95Å; L175-V283 HydrophobicContact CD2-CB 4.32Å; L175-V283 HydrophobicContact CD2-CG2 3.77Å; L175-V283 HydrophobicContact CG-CG2 4.48Å; A256-V283 HydrophobicContact CB-CB 4.18Å; A256-V283 HydrophobicContact CB-CG1 3.94Å; M259-V283 HydrophobicContact CE-CG1 4.16Å; M259-V283 HydrophobicContact SD-CG1 3.88Å; F280-V283 HydrophobicContact CD1-CG2 4.37Å; F280-V283 PolarHBondContact O-N 3.47Å
284	E	97.3	Very high	96.5	Very high	127 Å²	127	60.3 Å²	60.3	59%	0.593	33%	0.331	S	S	*	.			trans	-67.9	134.2	-174.6	-172.5	179.3	-156.9	0	0	112.4	A256 E282 K286	A256-E284 PolarHBondContact N-O 2.91Å; E282-E284 PolarHBondContact O-N 3.32Å; E284-K286 HydrophobicContact CB-CG 4.38Å; E284-K286 HydrophobicContact CG-CG 3.82Å; E284-K286 WeakPolarHBondContact OE2-CE 3.44Å
285	N	97.9	Very high	96.5	Very high	46 Å²	46	62.6 Å²	62.6	25%	0.246	34%	0.335	C	S	.	.			trans	-93.3	104.3	167	-178.4	10.4	0	0	0	110.8	N76 N257 N287	N76-N285 HydrophobicContact CB-CB 3.95Å; N76-N285 VanDerWaalsContact O-CB 3.25Å; N76-N285 WeakPolarHBondContact O-CB 3.48Å; N76-N285 VanDerWaalsContact O-CG 3.28Å; N257-N285 WeakPolarHBondContact CB-OD1 3.41Å; N257-N285 PolarHBondContact OD1-OD1 2.62Å; N285-N287 VanDerWaalsContact C-N 3.34Å; N285-N287 PolarHBondContact ND2-OD1 3.01Å; N285-N287 PolarHBondContact O-ND2 3.01Å; N285-N287 WeakPolarHBondContact OD1-CA 3.14Å; N285-N287 PolarHBondContact OD1-N 2.66Å; N285-N287 PolarHBondContact OD1-ND2 2.76Å; N285-N287 PolarHBondContact OD1-OD1 2.77Å
286	K	97.8	Very high	96.6	Very high	61 Å²	61	62.4 Å²	62.4	27%	0.265	33%	0.333	S	S	.	.			trans	-92.3	0.1	178.8	-52.4	171.8	-171.8	146.3	0	112.1	S251 Y254 S255 E284 V288	S251-K286 WeakPolarHBondContact O-CD 3Å; S251-K286 WeakPolarHBondContact O-CE 3.37Å; S251-K286 PolarHBondContact O-NZ 3.38Å; Y254-K286 PolarHBondContact O-NZ 2.9Å; S255-K286 PolarHBondContact OG-N 3.39Å; E284-K286 HydrophobicContact CB-CG 4.38Å; E284-K286 HydrophobicContact CG-CG 3.82Å; E284-K286 WeakPolarHBondContact OE2-CE 3.44Å; K286-V288 VanDerWaalsContact C-N 3.3Å; K286-V288 HydrophobicContact CB-CG2 4.02Å; K286-V288 PolarHBondContact O-N 2.7Å
287	N	97.3	Very high	96.7	Very high	118 Å²	118	62.5 Å²	62.5	63%	0.631	33%	0.334	S	S	*	.			trans	54.3	43.3	177.8	-58.8	-89.8	0	0	0	112.9	N257 N285	N257-N287 WeakPolarHBondContact OD1-CA 3.25Å; N257-N287 PolarHBondContact OD1-N 3.29Å; N285-N287 VanDerWaalsContact C-N 3.34Å; N285-N287 PolarHBondContact ND2-OD1 3.01Å; N285-N287 PolarHBondContact O-ND2 3.01Å; N285-N287 WeakPolarHBondContact OD1-CA 3.14Å; N285-N287 PolarHBondContact OD1-N 2.66Å; N285-N287 PolarHBondContact OD1-ND2 2.76Å; N285-N287 PolarHBondContact OD1-OD1 2.77Å
288	V	98.2	Very high	96.8	Very high	19 Å²	19	60 Å²	60	12%	0.115	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-68.5	127.9	-178.7	-172.1	0	0	0	0	108.8	T252 Y253 S255 N257 L258 K286 V290	T252-V288 WeakPolarHBondContact O-CG2 3.39Å; Y253-V288 HydrophobicContact CD1-CG1 4.2Å; S255-V288 VanDerWaalsContact CB-CG2 3.47Å; N257-V288 PolarHBondContact ND2-O 3.48Å; N257-V288 PolarHBondContact OD1-N 2.85Å; L258-V288 HydrophobicContact CD1-CB 3.77Å; L258-V288 HydrophobicContact CD1-CG1 3.73Å; L258-V288 HydrophobicContact CG-CB 4.22Å; K286-V288 VanDerWaalsContact C-N 3.3Å; K286-V288 HydrophobicContact CB-CG2 4.02Å; K286-V288 PolarHBondContact O-N 2.7Å; V288-V290 PolarHBondContact O-N 3.14Å
289	P	97.7	Very high	96.9	Very high	106 Å²	106	57.5 Å²	57.5	69%	0.688	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-65.6	136.1	173.3	28.4	-33.7	0	0	0	109.8
290	V	97.3	Very high	97	Very high	52 Å²	52	62.4 Å²	62.4	32%	0.315	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-60.3	129	169.2	-174.3	0	0	0	0	107.7	L258 V288 K373	L258-V290 HydrophobicContact CD2-CB 4.35Å; L258-V290 HydrophobicContact CD2-CG2 3.62Å; V288-V290 PolarHBondContact O-N 3.14Å; V290-K373 HydrophobicContact CG1-CD 4.12Å
291	P	97.3	Very high	97.1	Very high	28 Å²	28	68.2 Å²	68.2	18%	0.182	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-54.8	149.8	173.5	-25.3	34.6	0	0	0	112.3	I99 F293	I99-P291 HydrophobicContact CD1-CG 3.59Å; P291-F293 HydrophobicContact CB-CE2 3.84Å; P291-F293 HydrophobicContact CB-CZ 3.77Å
292	E	96.7	Very high	97.3	Very high	127 Å²	127	68 Å²	68	59%	0.593	35%	0.348	S	S	*	.			trans	-141.9	138.4	173.4	-68.1	-172.9	-179.9	0	0	109	P294 K373	E292-P294 VanDerWaalsContact O-CD 3.29Å; E292-P294 WeakPolarHBondContact O-CD 3.42Å; E292-K373 HydrophobicContact CG-CD 4.05Å; E292-K373 HydrophobicContact CG-CG 4.38Å; E292-K373 VanDerWaalsContact CG-NZ 3.27Å; E292-K373 WeakPolarHBondContact OE1-CE 3.22Å; E292-K373 IonicContact OE1-NZ 2.94Å; E292-K373 PolarHBondContact OE1-NZ 2.73Å
293	F	97.6	Very high	97.7	Very high	19 Å²	19	61.1 Å²	61.1	8%	0.083	32%	0.316	C	S	.	.			trans	-122.4	68.3	-175.4	-52.9	-80.3	0	0	0	109.3	L102 E150 P219 P291 E295 A372 K373 G374 F375	L102-F293 HydrophobicContact CB-CE1 4.21Å; L102-F293 HydrophobicContact CB-CE2 4.27Å; L102-F293 HydrophobicContact CB-CZ 3.66Å; L102-F293 HydrophobicContact CD1-CD2 4.29Å; L102-F293 HydrophobicContact CD1-CE2 3.81Å; L102-F293 HydrophobicContact CD1-CZ 4.01Å; L102-F293 HydrophobicContact CG-CZ 4.46Å; E150-F293 HydrophobicContact CG-CE2 4.31Å; E150-F293 WeakPolarHBondContact OE1-CE2 3.47Å; P219-F293 HydrophobicContact CB-CD1 4.33Å; P219-F293 HydrophobicContact CB-CE1 3.9Å; P219-F293 HydrophobicContact CG-CD1 4.18Å; P219-F293 HydrophobicContact CG-CE1 3.93Å; P291-F293 HydrophobicContact CB-CE2 3.84Å; P291-F293 HydrophobicContact CB-CZ 3.77Å; F293-E295 VanDerWaalsContact C-N 3.27Å; F293-E295 PolarHBondContact O-N 3.14Å; F293-A372 HydrophobicContact CB-CB 4.47Å; F293-A372 HydrophobicContact CD2-CB 3.55Å; F293-A372 HydrophobicContact CE2-CB 4.13Å; F293-A372 HydrophobicContact CG-CB 4.25Å; F293-K373 PolarHBondContact N-O 3.03Å; F293-G374 CarbonylContact O-C 3.59Å; F293-G374 WeakPolarHBondContact O-CA 3.33Å; F293-F375 HydrophobicContact CB-CD1 3.79Å; F293-F375 HydrophobicContact CB-CE1 3.7Å; F293-F375 HydrophobicContact CG-CE1 4.32Å
294	P	96.4	Very high	97.8	Very high	111 Å²	111	63.1 Å²	63.1	72%	0.721	33%	0.325	S	S	*	.			trans	-74.7	-14.4	-174	31.7	-37.5	0	0	0	113.7	E292	E292-P294 VanDerWaalsContact O-CD 3.29Å; E292-P294 WeakPolarHBondContact O-CD 3.42Å
295	E	97.9	Very high	97.9	Very high	92 Å²	92	58.4 Å²	58.4	43%	0.43	30%	0.302	S	S	.	.	S	Bend	trans	-84.9	123.5	169	-172.4	-173.9	135.4	0	0	109.1	N215 H218 F293	N215-E295 PolarHBondContact ND2-OE1 3.42Å; H218-E295 PolarHBondContact NE2-O 3.36Å; F293-E295 VanDerWaalsContact C-N 3.27Å; F293-E295 PolarHBondContact O-N 3.14Å
296	H	98.6	Very high	97.9	Very high	26 Å²	26	57.6 Å²	57.6	12%	0.12	30%	0.297	C	S	.	.			trans	-68.6	134.5	177.5	-171	-81.8	0	0	0	110.7	F298 Q299 P323 M376 F377	H296-F298 AromaticContact CE1-CD2 3.61Å; H296-F298 AromaticContact CE1-CG 3.86Å; H296-F298 PolarHBondContact ND1-N 2.87Å; H296-F298 PolarHBondContact ND1-O 3.25Å; H296-F298 PolarHBondContact O-N 3.42Å; H296-F298 VanDerWaalsContact O-N 3.11Å; H296-Q299 PolarHBondContact O-NE2 2.9Å; H296-P323 WeakPolarHBondContact CE1-CB 3.27Å; H296-P323 WeakPolarHBondContact ND1-CB 3.22Å; H296-P323 WeakPolarHBondContact NE2-CA 3.36Å; H296-P323 WeakPolarHBondContact NE2-CB 3.43Å; H296-M376 PolarHBondContact NE2-O 2.7Å; H296-F377 AromaticContact CE1-CE1 3.77Å; H296-F377 AromaticContact NE2-CD1 3.86Å; H296-F377 AromaticContact NE2-CE1 3.72Å
297	P	98.4	Very high	98	Very high	1 Å²	1	55 Å²	55	1%	0.006	29%	0.286	C	S	.	.	S	Bend	trans	-62.1	-21.5	-177.9	22.8	-34.7	0	0	0	114.4	G214 N215 F220 F375 F377	G214-P297 CarbonylContact C-O 3.53Å; G214-P297 WeakPolarHBondContact CA-O 3.45Å; N215-P297 PolarHBondContact N-O 2.93Å; F220-P297 HydrophobicContact CB-CB 3.85Å; F220-P297 HydrophobicContact CB-CG 4.34Å; F220-P297 HydrophobicContact CD1-CB 3.76Å; F220-P297 HydrophobicContact CD1-CG 4.06Å; F220-P297 HydrophobicContact CG-CB 4.01Å; F220-P297 HydrophobicContact CG-CG 4.17Å; P297-F375 VanDerWaalsContact CD-CD2 3.43Å; P297-F375 VanDerWaalsContact CD-CG 3.47Å; P297-F375 HydrophobicContact CG-CD2 3.7Å; P297-F375 HydrophobicContact CG-CE2 3.6Å; P297-F375 HydrophobicContact CG-CG 4.25Å; P297-F375 HydrophobicContact CG-CZ 4.06Å; P297-F377 HydrophobicContact CG-CE1 4Å; P297-F377 HydrophobicContact CG-CZ 3.91Å
298	F	98.6	Very high	98	Very high	4 Å²	4	52 Å²	52	2%	0.018	27%	0.266	C	S	.	.	S	Bend	trans	-103.8	105.7	169.5	-48.6	-35.8	0	0	0	109.1	E210 F220 H296 H302 L303 T321 F377 R482	E210-F298 HydrophobicContact CG-CZ 3.86Å; F220-F298 HydrophobicContact CE1-CZ 4.4Å; H296-F298 AromaticContact CE1-CD2 3.61Å; H296-F298 AromaticContact CE1-CG 3.86Å; H296-F298 PolarHBondContact ND1-N 2.87Å; H296-F298 PolarHBondContact ND1-O 3.25Å; H296-F298 PolarHBondContact O-N 3.42Å; H296-F298 VanDerWaalsContact O-N 3.11Å; F298-H302 HydrophobicContact CB-CB 3.99Å; F298-H302 HydrophobicContact CD1-CB 4.46Å; F298-L303 HydrophobicContact CB-CD2 4.03Å; F298-T321 HydrophobicContact CE2-CG2 4.28Å; F298-F377 HydrophobicContact CD2-CD1 4.23Å; F298-F377 AromaticContact CD2-CE1 3.84Å; F298-F377 HydrophobicContact CD2-CE1 3.84Å; F298-F377 AromaticContact CE2-CD1 3.76Å; F298-F377 HydrophobicContact CE2-CD1 3.76Å; F298-F377 AromaticContact CE2-CE1 3.33Å; F298-F377 HydrophobicContact CE2-CE1 3.33Å; F298-F377 HydrophobicContact CE2-CZ 4.26Å; F298-F377 AromaticContact CZ-CE1 3.9Å; F298-F377 HydrophobicContact CZ-CE1 3.9Å; F298-F377 HydrophobicContact CZ-CZ 4.42Å; F298-R482 VanDerWaalsContact CD2-NE 3.33Å; F298-R482 VanDerWaalsContact CE1-NH2 3.32Å; F298-R482 VanDerWaalsContact CE2-NE 3.29Å
299	Q	98.1	Very high	98.1	Very high	68 Å²	68	51.1 Å²	51.1	32%	0.318	26%	0.262	S	S	.	.			trans	-90.2	174.5	167.7	-65.2	-60.2	-48.5	0	0	110.3	H296 E301 H302	H296-Q299 PolarHBondContact O-NE2 2.9Å; Q299-E301 VanDerWaalsContact C-N 3.3Å; Q299-E301 VanDerWaalsContact C-OE2 3.27Å; Q299-E301 WeakPolarHBondContact CB-OE2 3.29Å; Q299-E301 PolarHBondContact O-N 2.82Å; Q299-E301 VanDerWaalsContact O-N 3.12Å; Q299-H302 PolarHBondContact N-ND1 3.44Å; Q299-H302 WeakPolarHBondContact O-CA 3.44Å; Q299-H302 VanDerWaalsContact O-CB 3.22Å; Q299-H302 WeakPolarHBondContact O-CB 3.23Å; Q299-H302 PolarHBondContact O-N 2.88Å; Q299-H302 PolarHBondContact O-ND1 3.2Å
300	E	97.6	Very high	98.1	Very high	119 Å²	119	46.7 Å²	46.7	56%	0.556	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-45	-44.1	-173.2	177.8	60.9	-158	0	0	115.2	H302 L303 K304	E300-H302 PolarHBondContact O-N 3.36Å; E300-L303 WeakPolarHBondContact O-CB 3.44Å; E300-L303 PolarHBondContact O-N 3.3Å; E300-L303 VanDerWaalsContact O-N 3.08Å; E300-K304 IonicContact OE1-NZ 2.68Å; E300-K304 PolarHBondContact OE1-NZ 3.31Å; E300-K304 IonicContact OE2-NZ 3.58Å
301	E	97.6	Very high	98.2	Very high	123 Å²	123	44.3 Å²	44.3	58%	0.575	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-69.7	-12	179.2	75.4	-80.6	-142.2	0	0	114	Q299	Q299-E301 VanDerWaalsContact C-N 3.3Å; Q299-E301 VanDerWaalsContact C-OE2 3.27Å; Q299-E301 WeakPolarHBondContact CB-OE2 3.29Å; Q299-E301 PolarHBondContact O-N 2.82Å; Q299-E301 VanDerWaalsContact O-N 3.12Å
302	H	98.5	Very high	98.2	Very high	20 Å²	20	44.8 Å²	44.8	9%	0.093	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-98.3	-2.2	174.9	-48	84.1	0	0	0	112.2	G214 N215 F298 Q299 E300 Q305 R482	G214-H302 VanDerWaalsContact C-NE2 3.29Å; N215-H302 WeakPolarHBondContact CA-NE2 3.3Å; N215-H302 PolarHBondContact N-NE2 3.41Å; N215-H302 VanDerWaalsContact N-NE2 3.16Å; F298-H302 HydrophobicContact CB-CB 3.99Å; F298-H302 HydrophobicContact CD1-CB 4.46Å; Q299-H302 PolarHBondContact N-ND1 3.44Å; Q299-H302 WeakPolarHBondContact O-CA 3.44Å; Q299-H302 VanDerWaalsContact O-CB 3.22Å; Q299-H302 WeakPolarHBondContact O-CB 3.23Å; Q299-H302 PolarHBondContact O-N 2.88Å; Q299-H302 PolarHBondContact O-ND1 3.2Å; E300-H302 PolarHBondContact O-N 3.36Å; H302-Q305 VanDerWaalsContact C-CG 3.47Å; H302-Q305 VanDerWaalsContact O-CG 3.32Å; H302-Q305 WeakPolarHBondContact O-CG 3.37Å; H302-R482 VanDerWaalsContact O-CD 3.24Å; H302-R482 WeakPolarHBondContact O-CD 3.27Å; H302-R482 WeakPolarHBondContact O-CG 3.11Å; H302-R482 PolarHBondContact O-NH1 2.98Å
303	L	98.6	Very high	98.3	Very high	12 Å²	12	41 Å²	41	6%	0.063	20%	0.2	C	C	.	.	S	Bend	trans	-99.2	162.9	177.2	-47.9	179.9	0	0	0	110.4	F298 E300 Q305 P323 R482	F298-L303 HydrophobicContact CB-CD2 4.03Å; E300-L303 WeakPolarHBondContact O-CB 3.44Å; E300-L303 PolarHBondContact O-N 3.3Å; E300-L303 VanDerWaalsContact O-N 3.08Å; L303-Q305 WeakPolarHBondContact O-CG 3.17Å; L303-Q305 PolarHBondContact O-N 3.32Å; L303-Q305 PolarHBondContact O-NE2 3.11Å; L303-P323 HydrophobicContact CD1-CG 4.48Å; L303-P323 HydrophobicContact CD2-CG 3.87Å; L303-R482 HydrophobicContact CD2-CG 4.44Å
304	K	98.6	Very high	98.3	Very high	47 Å²	47	42.8 Å²	42.8	20%	0.204	21%	0.211	C	C	.	.	S	Bend	trans	54.2	34.7	-171.1	-62.6	148.6	-72.6	-156.5	0	112.2	E300 E479 V481 I510 I515	E300-K304 IonicContact OE1-NZ 2.68Å; E300-K304 PolarHBondContact OE1-NZ 3.31Å; E300-K304 IonicContact OE2-NZ 3.58Å; K304-E479 WeakPolarHBondContact CE-O 3.37Å; K304-V481 WeakPolarHBondContact CA-O 3.38Å; K304-V481 PolarHBondContact N-O 3.01Å; K304-I510 WeakPolarHBondContact O-CB 3.33Å; K304-I510 WeakPolarHBondContact O-CG1 3.44Å; K304-I510 PolarHBondContact O-N 3.04Å; K304-I515 HydrophobicContact CB-CD1 4.34Å; K304-I515 HydrophobicContact CG-CD1 3.81Å; K304-I515 HydrophobicContact CG-CG1 4.11Å
305	Q	98.7	Very high	98.3	Very high	27 Å²	27	39.1 Å²	39.1	13%	0.126	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	137.7	-179.3	-58.5	-55.8	-62.2	0	0	111.3	H302 L303 Y307 V483	H302-Q305 VanDerWaalsContact C-CG 3.47Å; H302-Q305 VanDerWaalsContact O-CG 3.32Å; H302-Q305 WeakPolarHBondContact O-CG 3.37Å; L303-Q305 WeakPolarHBondContact O-CG 3.17Å; L303-Q305 PolarHBondContact O-N 3.32Å; L303-Q305 PolarHBondContact O-NE2 3.11Å; Q305-Y307 HydrophobicContact CB-CD2 4.48Å; Q305-Y307 HydrophobicContact CB-CE2 3.59Å; Q305-Y307 WeakPolarHBondContact CB-OH 3.47Å; Q305-V483 PolarHBondContact O-N 3.49Å
306	F	98.7	Very high	98.4	Very high	30 Å²	30	35.5 Å²	35.5	13%	0.132	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.9	175.6	-160.6	-78.5	0	0	0	110	K308 V392 V483 V485 Q507 E508 I510	F306-K308 HydrophobicContact CD1-CG 3.9Å; F306-K308 HydrophobicContact CE1-CD 4.36Å; F306-K308 HydrophobicContact CE1-CG 3.66Å; F306-V392 HydrophobicContact CE2-CG1 4.25Å; F306-V392 HydrophobicContact CZ-CG1 4.28Å; F306-V483 CarbonylContact C-O 3.58Å; F306-V483 WeakPolarHBondContact CA-O 3.45Å; F306-V483 HydrophobicContact CD2-CB 3.96Å; F306-V483 HydrophobicContact CD2-CG1 3.64Å; F306-V483 HydrophobicContact CE2-CB 4.37Å; F306-V483 HydrophobicContact CE2-CG1 3.55Å; F306-V483 HydrophobicContact CG-CG1 4.43Å; F306-V483 HydrophobicContact CZ-CG1 4.27Å; F306-V485 HydrophobicContact CE1-CB 4.4Å; F306-V485 HydrophobicContact CE1-CG2 3.94Å; F306-V485 HydrophobicContact CE2-CG2 4.31Å; F306-V485 HydrophobicContact CZ-CB 4.39Å; F306-V485 HydrophobicContact CZ-CG2 3.49Å; F306-V485 VanDerWaalsContact CZ-CG2 3.49Å; F306-Q507 WeakPolarHBondContact O-CA 2.99Å; F306-E508 HydrophobicContact CB-CB 4.47Å; F306-E508 PolarHBondContact N-O 2.84Å; F306-E508 PolarHBondContact O-N 3.19Å; F306-I510 HydrophobicContact CB-CG1 3.85Å; F306-I510 HydrophobicContact CD2-CG1 4.28Å
307	Y	98.8	Very high	98.4	Very high	7 Å²	7	35.7 Å²	35.7	3%	0.027	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.5	179.7	-58.9	-81.4	0	0	0	110.4	T213 Q305 R482 V483 A484 V485 Y505 K506 Q507	T213-Y307 HydrophobicContact CG2-CD1 4.03Å; T213-Y307 HydrophobicContact CG2-CE1 3.53Å; T213-Y307 PolarHBondContact O-OH 3.31Å; Q305-Y307 HydrophobicContact CB-CD2 4.48Å; Q305-Y307 HydrophobicContact CB-CE2 3.59Å; Q305-Y307 WeakPolarHBondContact CB-OH 3.47Å; Y307-R482 PolarHBondContact OH-NH1 2.87Å; Y307-V483 WeakPolarHBondContact CD2-O 3.44Å; Y307-V483 PolarHBondContact N-O 2.75Å; Y307-A484 CarbonylContact O-C 3.43Å; Y307-A484 WeakPolarHBondContact O-CA 3.47Å; Y307-V485 PolarHBondContact O-N 3.1Å; Y307-Y505 HydrophobicContact CD1-CD2 4.22Å; Y307-Y505 HydrophobicContact CD1-CE2 4.35Å; Y307-K506 WeakPolarHBondContact CA-O 3.42Å; Y307-Q507 HydrophobicContact CD1-CB 4.02Å; Y307-Q507 HydrophobicContact CD1-CG 4.08Å; Y307-Q507 HydrophobicContact CE1-CB 3.88Å; Y307-Q507 HydrophobicContact CE1-CG 3.54Å; Y307-Q507 PolarHBondContact OH-NE2 3.41Å
308	K	98.8	Very high	98.4	Very high	53 Å²	53	35.7 Å²	35.7	23%	0.23	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.7	173.7	-68.4	170.5	-177.5	168.2	0	107.9	F306 F490 Y505 K506 E508	F306-K308 HydrophobicContact CD1-CG 3.9Å; F306-K308 HydrophobicContact CE1-CD 4.36Å; F306-K308 HydrophobicContact CE1-CG 3.66Å; K308-F490 HydrophobicContact CB-CD1 4.03Å; K308-F490 HydrophobicContact CB-CD2 3.83Å; K308-F490 HydrophobicContact CB-CE1 4.17Å; K308-F490 HydrophobicContact CB-CE2 3.96Å; K308-F490 HydrophobicContact CB-CG 3.86Å; K308-F490 HydrophobicContact CB-CZ 4.14Å; K308-F490 HydrophobicContact CD-CD1 4.1Å; K308-F490 HydrophobicContact CD-CE1 3.87Å; K308-F490 HydrophobicContact CD-CZ 4.34Å; K308-F490 HydrophobicContact CG-CD1 4.17Å; K308-F490 HydrophobicContact CG-CD2 4.44Å; K308-F490 HydrophobicContact CG-CE1 3.86Å; K308-F490 HydrophobicContact CG-CE2 4.13Å; K308-F490 HydrophobicContact CG-CG 4.46Å; K308-F490 HydrophobicContact CG-CZ 3.84Å; K308-Y505 CarbonylContact O-C 3.58Å; K308-Y505 WeakPolarHBondContact O-CA 3.5Å; K308-Y505 WeakPolarHBondContact O-CB 2.78Å; K308-K506 HydrophobicContact CB-CB 4.37Å; K308-K506 PolarHBondContact N-O 3.37Å; K308-K506 PolarHBondContact O-N 3.47Å; K308-E508 VanDerWaalsContact CE-OE2 3.26Å; K308-E508 WeakPolarHBondContact CE-OE2 3.25Å; K308-E508 IonicContact NZ-OE1 3.96Å; K308-E508 PolarHBondContact NZ-OE1 2.91Å; K308-E508 IonicContact NZ-OE2 2.69Å; K308-E508 PolarHBondContact NZ-OE2 2.92Å
309	V	98.8	Very high	98.4	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.2	-167.7	-168.2	0	0	0	0	110.9	L206 L209 P311 V485 V486 S487 T503	L206-V309 HydrophobicContact CD2-CG1 4.05Å; L209-V309 HydrophobicContact CD2-CB 4.33Å; L209-V309 HydrophobicContact CD2-CG1 3.73Å; L209-V309 HydrophobicContact CD2-CG2 3.58Å; V309-P311 WeakPolarHBondContact O-CD 3.38Å; V309-V485 PolarHBondContact N-O 2.74Å; V309-V486 HydrophobicContact CB-CG2 4.21Å; V309-V486 WeakPolarHBondContact O-CA 3.43Å; V309-S487 PolarHBondContact O-N 2.88Å; V309-T503 HydrophobicContact CG1-CG2 3.8Å
310	V	98.8	Very high	98.5	Very high	12 Å²	12	35.4 Å²	35.4	7%	0.073	17%	0.165	C	C	.	.			trans	-93.3	114.3	175.8	-178.6	0	0	0	0	109.8	F490 E491 T494 Q504	V310-F490 VanDerWaalsContact CG2-C 3.5Å; V310-F490 HydrophobicContact CG2-CB 3.9Å; V310-E491 HydrophobicContact CG1-CB 4.32Å; V310-T494 HydrophobicContact CG2-CG2 3.63Å; V310-Q504 HydrophobicContact CB-CB 4.18Å; V310-Q504 HydrophobicContact CG2-CB 4.42Å; V310-Q504 PolarHBondContact N-O 2.82Å
311	P	98.6	Very high	98.5	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.019	14%	0.142	C	C	.	.			trans	-76.4	165.7	175.4	31.8	-35.1	0	0	0	112.4	D202 V309 K313 I315 V486 S487 K488	D202-P311 VanDerWaalsContact OD1-CA 3.27Å; D202-P311 WeakPolarHBondContact OD1-CA 3.34Å; D202-P311 WeakPolarHBondContact OD1-CB 3.42Å; V309-P311 WeakPolarHBondContact O-CD 3.38Å; P311-K313 VanDerWaalsContact CB-O 3.29Å; P311-K313 WeakPolarHBondContact CB-O 3.46Å; P311-K313 WeakPolarHBondContact CG-O 3.41Å; P311-I315 HydrophobicContact CB-CD1 4Å; P311-I315 HydrophobicContact CB-CG1 3.59Å; P311-I315 HydrophobicContact CG-CG1 3.94Å; P311-V486 HydrophobicContact CB-CG1 3.63Å; P311-V486 HydrophobicContact CG-CG1 3.79Å; P311-S487 WeakPolarHBondContact CD-O 3.39Å; P311-K488 HydrophobicContact CG-CD 4.29Å; P311-K488 HydrophobicContact CG-CG 4.28Å; P311-K488 VanDerWaalsContact O-CE 3.3Å; P311-K488 WeakPolarHBondContact O-CE 3.45Å; P311-K488 PolarHBondContact O-NZ 3.07Å
312	I	98.1	Very high	98.6	Very high	38 Å²	38	24.5 Å²	24.5	20%	0.195	12%	0.115	C	C	.	.	S	Bend	trans	-76	-54.6	167.3	-59.1	-57.8	0	0	0	109.6	M200 D202 K488 A680 V790	M200-I312 HydrophobicContact SD-CD1 3.9Å; D202-I312 PolarHBondContact OD1-N 2.88Å; I312-K488 VanDerWaalsContact O-CE 3.22Å; I312-K488 WeakPolarHBondContact O-CE 3.3Å; I312-K488 PolarHBondContact O-NZ 2.91Å; I312-A680 HydrophobicContact CG2-CB 4.19Å; I312-V790 HydrophobicContact CG2-CG1 3.43Å; I312-V790 VanDerWaalsContact CG2-CG1 3.43Å
313	K	97.6	Very high	98.6	Very high	47 Å²	47	24.4 Å²	24.4	20%	0.204	12%	0.116	C	C	.	.	S	Bend	trans	-71.3	158.5	172.8	-72.7	178.1	-178.9	-175.8	0	111.6	D202 P311 I315 K488 N677 A680 E681	D202-K313 WeakPolarHBondContact OD2-CB 3.32Å; D202-K313 PolarHBondContact OD2-N 2.97Å; P311-K313 VanDerWaalsContact CB-O 3.29Å; P311-K313 WeakPolarHBondContact CB-O 3.46Å; P311-K313 WeakPolarHBondContact CG-O 3.41Å; K313-I315 VanDerWaalsContact C-N 3.28Å; K313-I315 HydrophobicContact CB-CG1 4.33Å; K313-I315 HydrophobicContact CB-CG2 3.94Å; K313-I315 PolarHBondContact O-N 2.68Å; K313-K488 WeakPolarHBondContact O-CE 3.42Å; K313-N677 HydrophobicContact CB-CB 4.46Å; K313-N677 WeakPolarHBondContact CB-OD1 3.35Å; K313-N677 HydrophobicContact CD-CB 4.27Å; K313-N677 HydrophobicContact CG-CB 4.23Å; K313-A680 HydrophobicContact CD-CB 4.46Å; K313-A680 HydrophobicContact CG-CB 3.66Å; K313-E681 IonicContact NZ-OE1 3.71Å; K313-E681 PolarHBondContact NZ-OE1 3.28Å; K313-E681 IonicContact NZ-OE2 3.96Å; K313-E681 PolarHBondContact NZ-OE2 3.43Å
314	D	97.9	Very high	98.6	Very high	56 Å²	56	24 Å²	24	30%	0.299	11%	0.114	S	C	.	.	S	Bend	trans	-77.5	83.9	163.1	-170	0.1	0	0	0	109.5	K488 R673 N677	D314-K488 HydrophobicContact CB-CG 4.44Å; D314-R673 HydrophobicContact CB-CG 4.24Å; D314-R673 PolarHBondContact O-NH1 2.82Å; D314-R673 WeakPolarHBondContact OD1-CD 3.44Å; D314-R673 WeakPolarHBondContact OD2-CD 3.38Å; D314-R673 WeakPolarHBondContact OD2-CG 3.4Å; D314-N677 PolarHBondContact N-OD1 2.81Å; D314-N677 PolarHBondContact O-ND2 3.08Å
315	I	98	Very high	98.6	Very high	35 Å²	35	24 Å²	24	18%	0.179	12%	0.119	C	C	.	.			trans	-126	145.5	176.2	55.4	175.8	0	0	0	109	D202 P311 K313 V486	D202-I315 HydrophobicContact CB-CD1 3.81Å; P311-I315 HydrophobicContact CB-CD1 4Å; P311-I315 HydrophobicContact CB-CG1 3.59Å; P311-I315 HydrophobicContact CG-CG1 3.94Å; K313-I315 VanDerWaalsContact C-N 3.28Å; K313-I315 HydrophobicContact CB-CG1 4.33Å; K313-I315 HydrophobicContact CB-CG2 3.94Å; K313-I315 PolarHBondContact O-N 2.68Å; I315-V486 HydrophobicContact CD1-CG1 4.45Å; I315-V486 HydrophobicContact CG1-CG1 4.35Å
316	R	98.6	Very high	98.6	Very high	16 Å²	16	23.9 Å²	23.9	6%	0.06	12%	0.119	C	C	.	.			trans	-126	119.9	174.8	-59	179.2	-129.4	107.5	-6	108.1	L384 E386 V486 E669 R673	R316-L384 HydrophobicContact CB-CB 3.87Å; R316-L384 WeakPolarHBondContact CB-O 3.24Å; R316-L384 PolarHBondContact NH1-O 3.5Å; R316-L384 PolarHBondContact O-N 3.45Å; R316-E386 VanDerWaalsContact NH2-CG 3.29Å; R316-E386 IonicContact NH2-OE1 3.4Å; R316-V486 VanDerWaalsContact CA-O 3.27Å; R316-V486 WeakPolarHBondContact CA-O 3.37Å; R316-E669 IonicContact CZ-OE1 2.71Å; R316-E669 IonicContact CZ-OE2 2.99Å; R316-E669 IonicContact NH1-OE2 3.71Å; R316-E669 PolarHBondContact NH1-OE2 3.39Å; R316-E669 IonicContact NH2-OE1 3.82Å; R316-E669 PolarHBondContact NH2-OE1 2.36Å; R316-E669 IonicContact NH2-OE2 2.71Å; R316-E669 PolarHBondContact NH2-OE2 3.36Å; R316-R673 VanDerWaalsContact NH1-NH2 3.2Å; R316-R673 VanDerWaalsContact NH2-NE 3.13Å
317	N	98.8	Very high	98.5	Very high	30 Å²	30	22.7 Å²	22.7	16%	0.16	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150	-177.3	-60.9	-72.4	0	0	0	110.7	Y319 V382 V485 V486	N317-Y319 HydrophobicContact CB-CD2 4.26Å; N317-Y319 HydrophobicContact CB-CE2 3.54Å; N317-V382 WeakPolarHBondContact CA-O 3.22Å; N317-V485 WeakPolarHBondContact O-CA 3.44Å; N317-V486 HydrophobicContact CB-CB 4.37Å; N317-V486 PolarHBondContact N-O 2.83Å; N317-V486 VanDerWaalsContact N-O 3.07Å; N317-V486 PolarHBondContact O-N 3.18Å
318	L	98.9	Very high	98.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.1	168.4	162.9	66	0	0	0	108.5	V320 N381 V382 L384 V392 I395 I396 M399 V483 V485	L318-V320 HydrophobicContact CD1-CG2 3.8Å; L318-V320 HydrophobicContact CD2-CG2 4.27Å; L318-V320 HydrophobicContact CG-CG2 3.94Å; L318-N381 CarbonylContact O-C 3.5Å; L318-N381 WeakPolarHBondContact O-CA 3.44Å; L318-V382 HydrophobicContact CB-CG2 3.77Å; L318-V382 HydrophobicContact CD2-CG2 4.04Å; L318-V382 HydrophobicContact CG-CG2 4.21Å; L318-V382 PolarHBondContact N-O 2.92Å; L318-V382 PolarHBondContact O-N 2.91Å; L318-L384 HydrophobicContact CB-CD1 4.03Å; L318-L384 HydrophobicContact CB-CD2 3.95Å; L318-L384 HydrophobicContact CB-CG 4.16Å; L318-V392 HydrophobicContact CD1-CG1 4.17Å; L318-V392 HydrophobicContact CD2-CG1 4.41Å; L318-I395 HydrophobicContact CD2-CB 4.23Å; L318-I395 HydrophobicContact CD2-CG2 3.67Å; L318-I396 HydrophobicContact CD1-CD1 4.23Å; L318-I396 HydrophobicContact CD1-CG1 4.46Å; L318-I396 HydrophobicContact CD2-CG1 4.01Å; L318-M399 HydrophobicContact CD2-CE 4.05Å; L318-V483 HydrophobicContact CD1-CG1 3.72Å; L318-V485 HydrophobicContact CD1-CG2 4.12Å
319	Y	98.9	Very high	98.3	Very high	65 Å²	65	28.6 Å²	28.6	26%	0.255	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.6	172.5	-59.7	-96.7	0	0	0	108.7	L206 N317 N381 V483 A484 V486	L206-Y319 HydrophobicContact CD1-CE2 3.95Å; N317-Y319 HydrophobicContact CB-CD2 4.26Å; N317-Y319 HydrophobicContact CB-CE2 3.54Å; Y319-N381 WeakPolarHBondContact CA-OD1 3.22Å; Y319-N381 HydrophobicContact CD1-CB 4.1Å; Y319-N381 VanDerWaalsContact CD1-CG 3.43Å; Y319-N381 WeakPolarHBondContact CD1-OD1 3.3Å; Y319-N381 HydrophobicContact CE1-CB 4.45Å; Y319-V483 WeakPolarHBondContact O-CA 3.24Å; Y319-A484 PolarHBondContact N-O 2.91Å; Y319-A484 PolarHBondContact O-N 2.88Å; Y319-V486 HydrophobicContact CD2-CG2 4Å; Y319-V486 HydrophobicContact CE2-CG2 3.62Å
320	V	98.9	Very high	98.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115.7	174.2	-176	0	0	0	0	108.3	L318 F322 I379 I380 I396 M399 V481 R482	L318-V320 HydrophobicContact CD1-CG2 3.8Å; L318-V320 HydrophobicContact CD2-CG2 4.27Å; L318-V320 HydrophobicContact CG-CG2 3.94Å; V320-F322 HydrophobicContact CG1-CE2 3.8Å; V320-F322 HydrophobicContact CG1-CZ 3.87Å; V320-I379 CarbonylContact O-C 3.52Å; V320-I379 WeakPolarHBondContact O-CA 3.45Å; V320-I380 HydrophobicContact CB-CB 4.47Å; V320-I380 WeakPolarHBondContact CB-O 3.31Å; V320-I380 PolarHBondContact N-O 3.4Å; V320-I380 PolarHBondContact O-N 2.79Å; V320-I396 HydrophobicContact CG2-CG1 4.19Å; V320-M399 HydrophobicContact CB-SD 4.19Å; V320-M399 HydrophobicContact CG2-CE 4.2Å; V320-M399 HydrophobicContact CG2-SD 3.67Å; V320-V481 HydrophobicContact CG1-CG2 3.46Å; V320-V481 VanDerWaalsContact CG1-CG2 3.46Å; V320-R482 WeakPolarHBondContact CA-O 3.27Å
321	T	98.9	Very high	98.2	Very high	11 Å²	11	33 Å²	33	7%	0.067	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.3	-173.5	-56	0	0	0	0	110.7	F298 F377 F378 I379 R482	F298-T321 HydrophobicContact CE2-CG2 4.28Å; T321-F377 HydrophobicContact CG2-CB 4.06Å; T321-F377 HydrophobicContact CG2-CD1 4.14Å; T321-F377 HydrophobicContact CG2-CG 4.36Å; T321-F378 CarbonylContact C-O 3.51Å; T321-F378 WeakPolarHBondContact CA-O 3.34Å; T321-I379 HydrophobicContact CG2-CG2 4.22Å; T321-R482 PolarHBondContact N-O 3.24Å; T321-R482 PolarHBondContact O-N 3.3Å
322	F	98.9	Very high	98.2	Very high	2 Å²	2	35 Å²	35	1%	0.009	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.7	174	-57.1	-87.2	0	0	0	110.6	V320 F377 F378 I380 F400 L476 R477 N480 V481	V320-F322 HydrophobicContact CG1-CE2 3.8Å; V320-F322 HydrophobicContact CG1-CZ 3.87Å; F322-F377 WeakPolarHBondContact O-CA 3.43Å; F322-F378 HydrophobicContact CB-CB 4.39Å; F322-F378 PolarHBondContact N-O 2.75Å; F322-F378 PolarHBondContact O-N 3.4Å; F322-I380 HydrophobicContact CE2-CD1 4.29Å; F322-I380 HydrophobicContact CE2-CG1 4.5Å; F322-F400 AromaticContact CE1-CE1 3.8Å; F322-F400 HydrophobicContact CE1-CE1 3.8Å; F322-F400 AromaticContact CE1-CZ 3.77Å; F322-F400 HydrophobicContact CE1-CZ 3.77Å; F322-F400 AromaticContact CZ-CE1 3.69Å; F322-F400 HydrophobicContact CZ-CE1 3.69Å; F322-F400 AromaticContact CZ-CZ 3.69Å; F322-F400 HydrophobicContact CZ-CZ 3.69Å; F322-L476 HydrophobicContact CB-CD2 3.93Å; F322-L476 HydrophobicContact CD2-CD2 3.7Å; F322-L476 HydrophobicContact CE2-CD2 4.35Å; F322-L476 HydrophobicContact CG-CD2 3.81Å; F322-R477 WeakPolarHBondContact CE1-O 3.47Å; F322-N480 HydrophobicContact CD1-CB 4.39Å; F322-V481 HydrophobicContact CD1-CB 4.44Å; F322-V481 HydrophobicContact CD1-CG2 4.37Å; F322-V481 HydrophobicContact CE1-CB 3.93Å; F322-V481 HydrophobicContact CE1-CG2 3.7Å; F322-V481 HydrophobicContact CZ-CG2 3.91Å
323	P	98.8	Very high	98.1	Very high	18 Å²	18	33.5 Å²	33.5	12%	0.117	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	131.5	170.1	33.1	-36.1	0	0	0	110.3	H296 L303 N480	H296-P323 WeakPolarHBondContact CE1-CB 3.27Å; H296-P323 WeakPolarHBondContact ND1-CB 3.22Å; H296-P323 WeakPolarHBondContact NE2-CA 3.36Å; H296-P323 WeakPolarHBondContact NE2-CB 3.43Å; L303-P323 HydrophobicContact CD1-CG 4.48Å; L303-P323 HydrophobicContact CD2-CG 3.87Å; P323-N480 WeakPolarHBondContact CD-O 3.31Å; P323-N480 HydrophobicContact CG-CB 4.34Å
324	I	98.7	Very high	98.1	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.8	174.6	61.6	167.5	0	0	0	111.3	L327 M376 F377 F378 K475	I324-L327 HydrophobicContact CD1-CD1 3.82Å; I324-L327 HydrophobicContact CD1-CG 4.2Å; I324-M376 HydrophobicContact CD1-CB 3.88Å; I324-M376 HydrophobicContact CG1-CB 3.7Å; I324-M376 WeakPolarHBondContact CG1-O 3.48Å; I324-M376 PolarHBondContact N-O 2.94Å; I324-M376 PolarHBondContact O-N 3.22Å; I324-F377 WeakPolarHBondContact CD1-O 3.3Å; I324-F378 HydrophobicContact CD1-CB 4.29Å; I324-F378 HydrophobicContact CG2-CB 4.07Å; I324-K475 HydrophobicContact CG2-CB 3.9Å; I324-K475 HydrophobicContact CG2-CG 4.32Å
325	P	98.4	Very high	98.2	Very high	48 Å²	48	30.5 Å²	30.5	31%	0.312	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	153.3	170	29	-36	0	0	0	110.6	L327 M471	P325-L327 HydrophobicContact CG-CD2 4.45Å; P325-L327 WeakPolarHBondContact O-CD2 3.41Å; P325-L327 WeakPolarHBondContact O-CG 3.26Å; P325-L327 PolarHBondContact O-N 3.46Å; P325-M471 HydrophobicContact CG-CE 4.45Å; P325-M471 HydrophobicContact CG-SD 3.92Å
326	D	98.3	Very high	98.2	Very high	23 Å²	23	28.8 Å²	28.8	12%	0.123	14%	0.136	C	C	.	.			trans	-52.9	122.3	171.1	176.5	-0.2	0	0	0	111.9	Q328 K329 G374	D326-Q328 WeakPolarHBondContact OD1-CB 3.23Å; D326-Q328 PolarHBondContact OD1-N 3.27Å; D326-K329 WeakPolarHBondContact O-CE 3.3Å; D326-G374 VanDerWaalsContact CB-C 3.45Å; D326-G374 PolarHBondContact N-O 2.74Å; D326-G374 PolarHBondContact OD2-N 3.36Å
327	L	98.1	Very high	98.1	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.026	15%	0.15	C	C	.	.			trans	-99.9	-4.4	-178.7	-55.8	-174.8	0	0	0	113.6	I324 P325 K329 Y330 P335 M376 M471 V472	I324-L327 HydrophobicContact CD1-CD1 3.82Å; I324-L327 HydrophobicContact CD1-CG 4.2Å; P325-L327 HydrophobicContact CG-CD2 4.45Å; P325-L327 WeakPolarHBondContact O-CD2 3.41Å; P325-L327 WeakPolarHBondContact O-CG 3.26Å; P325-L327 PolarHBondContact O-N 3.46Å; L327-K329 VanDerWaalsContact C-N 3.26Å; L327-K329 PolarHBondContact O-N 2.95Å; L327-Y330 HydrophobicContact CD2-CD2 4.11Å; L327-Y330 HydrophobicContact CD2-CE2 4.41Å; L327-Y330 WeakPolarHBondContact O-CA 3.18Å; L327-Y330 WeakPolarHBondContact O-CB 3.29Å; L327-Y330 PolarHBondContact O-N 3.34Å; L327-P335 HydrophobicContact CD1-CG 4.44Å; L327-M376 HydrophobicContact CB-SD 3.91Å; L327-M376 HydrophobicContact CG-SD 4.31Å; L327-M376 PolarHBondContact N-SD 3.1Å; L327-M376 VanDerWaalsContact N-SD 3.36Å; L327-M471 HydrophobicContact CD2-CE 4.03Å; L327-V472 HydrophobicContact CD1-CG1 4.43Å; L327-V472 HydrophobicContact CD1-CG2 3.78Å; L327-V472 HydrophobicContact CD2-CG2 3.73Å; L327-V472 HydrophobicContact CG-CG2 4.44Å
328	Q	97	Very high	98.1	Very high	49 Å²	49	30.7 Å²	30.7	23%	0.229	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-57.6	-38.6	-173.3	179.8	52.4	27.7	0	0	112.3	D326 Y330 Y331 M376 Y448 Y449	D326-Q328 WeakPolarHBondContact OD1-CB 3.23Å; D326-Q328 PolarHBondContact OD1-N 3.27Å; Q328-Y330 PolarHBondContact O-N 2.65Å; Q328-Y331 WeakPolarHBondContact O-CD1 3.34Å; Q328-Y331 PolarHBondContact O-N 3.21Å; Q328-M376 HydrophobicContact CB-CE 3.93Å; Q328-Y448 HydrophobicContact CG-CD1 3.8Å; Q328-Y448 HydrophobicContact CG-CE1 4.27Å; Q328-Y449 VanDerWaalsContact NE2-CZ 3.26Å; Q328-Y449 PolarHBondContact NE2-OH 3.28Å
329	K	96.7	Very high	98.1	Very high	135 Å²	135	30.7 Å²	30.7	59%	0.587	14%	0.144	S	C	*	.	G	3₁₀ helix	trans	-60.2	-11.5	173.1	62.4	-174	166.1	-173	0	115.3	D326 L327	D326-K329 WeakPolarHBondContact O-CE 3.3Å; L327-K329 VanDerWaalsContact C-N 3.26Å; L327-K329 PolarHBondContact O-N 2.95Å
330	Y	97.9	Very high	98	Very high	67 Å²	67	28 Å²	28	26%	0.263	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-107.9	12.6	-179.4	-55.6	-54.9	0	0	0	113.6	L327 Q328 K332 S333 N334 L468 M471	L327-Y330 HydrophobicContact CD2-CD2 4.11Å; L327-Y330 HydrophobicContact CD2-CE2 4.41Å; L327-Y330 WeakPolarHBondContact O-CA 3.18Å; L327-Y330 WeakPolarHBondContact O-CB 3.29Å; L327-Y330 PolarHBondContact O-N 3.34Å; Q328-Y330 PolarHBondContact O-N 2.65Å; Y330-K332 VanDerWaalsContact C-N 3.25Å; Y330-K332 PolarHBondContact O-N 3.27Å; Y330-S333 PolarHBondContact O-N 3.31Å; Y330-S333 PolarHBondContact O-OG 3.05Å; Y330-N334 PolarHBondContact O-N 3Å; Y330-L468 HydrophobicContact CD1-CD1 3.5Å; Y330-L468 HydrophobicContact CD1-CD2 4.34Å; Y330-L468 HydrophobicContact CD2-CD1 4.41Å; Y330-L468 HydrophobicContact CE1-CD1 3.96Å; Y330-L468 HydrophobicContact CE1-CD2 3.98Å; Y330-L468 HydrophobicContact CE2-CD2 4.32Å; Y330-L468 HydrophobicContact CG-CD1 3.77Å; Y330-M471 HydrophobicContact CE2-CE 4.2Å
331	Y	97.2	Very high	98	Very high	40 Å²	40	29 Å²	29	16%	0.157	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.9	-40.2	-174.9	68.9	-83.4	0	0	0	115.3	Q328 S333 N334 Y449 E453 A457	Q328-Y331 WeakPolarHBondContact O-CD1 3.34Å; Q328-Y331 PolarHBondContact O-N 3.21Å; Y331-S333 PolarHBondContact O-N 3.35Å; Y331-N334 PolarHBondContact O-N 3.13Å; Y331-Y449 HydrophobicContact CD1-CD1 4.34Å; Y331-Y449 AromaticContact CD1-CE1 3.94Å; Y331-Y449 HydrophobicContact CD1-CE1 3.94Å; Y331-Y449 HydrophobicContact CD2-CD1 4.1Å; Y331-Y449 AromaticContact CD2-CE1 3.67Å; Y331-Y449 HydrophobicContact CD2-CE1 3.67Å; Y331-Y449 HydrophobicContact CE1-CD1 4.16Å; Y331-Y449 HydrophobicContact CE1-CE1 4.23Å; Y331-Y449 AromaticContact CE2-CD1 3.9Å; Y331-Y449 HydrophobicContact CE2-CD1 3.9Å; Y331-Y449 AromaticContact CE2-CE1 3.97Å; Y331-Y449 HydrophobicContact CE2-CE1 3.97Å; Y331-Y449 HydrophobicContact CG-CD1 4.32Å; Y331-Y449 AromaticContact CG-CE1 3.65Å; Y331-Y449 HydrophobicContact CG-CE1 3.65Å; Y331-Y449 AromaticContact CZ-CD1 3.93Å; Y331-E453 PolarHBondContact OH-OE2 3.11Å; Y331-A457 HydrophobicContact CD2-CB 3.99Å; Y331-A457 HydrophobicContact CE2-CB 3.83Å
332	K	97.4	Very high	98	Very high	45 Å²	45	28.5 Å²	28.5	20%	0.196	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-16.4	175.8	-71	-176.7	174.9	-68.4	0	115.1	Y330 E453 E462 D463	Y330-K332 VanDerWaalsContact C-N 3.25Å; Y330-K332 PolarHBondContact O-N 3.27Å; K332-E453 WeakPolarHBondContact CE-OE2 3.49Å; K332-E453 IonicContact NZ-OE1 3.89Å; K332-E453 IonicContact NZ-OE2 2.77Å; K332-E453 PolarHBondContact NZ-OE2 2.87Å; K332-E462 HydrophobicContact CB-CB 4.33Å; K332-E462 VanDerWaalsContact CD-OE2 3.31Å; K332-E462 WeakPolarHBondContact CD-OE2 3.36Å; K332-E462 WeakPolarHBondContact CE-OE2 3.24Å; K332-E462 IonicContact NZ-OE1 3.21Å; K332-E462 PolarHBondContact NZ-OE1 3.09Å; K332-E462 IonicContact NZ-OE2 2.87Å; K332-E462 PolarHBondContact NZ-OE2 2.83Å; K332-E462 PolarHBondContact O-N 3.37Å; K332-D463 PolarHBondContact O-N 2.72Å
333	S	97.4	Very high	97.9	Very high	7 Å²	7	28.4 Å²	28.4	5%	0.049	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-21.2	178.8	63.7	0	0	0	0	114.1	Y330 Y331 D463	Y330-S333 PolarHBondContact O-N 3.31Å; Y330-S333 PolarHBondContact O-OG 3.05Å; Y331-S333 PolarHBondContact O-N 3.35Å; S333-D463 VanDerWaalsContact CA-O 3.31Å; S333-D463 WeakPolarHBondContact CA-O 3.41Å; S333-D463 WeakPolarHBondContact CB-O 3.46Å
334	N	97.6	Very high	97.9	Very high	38 Å²	38	27.9 Å²	27.9	20%	0.203	14%	0.135	C	C	.	.			trans	38.4	59.8	173.5	-149.6	-17.7	0	0	0	115.9	Y330 Y331 G336 H337 Y338 Q368 L461	Y330-N334 PolarHBondContact O-N 3Å; Y331-N334 PolarHBondContact O-N 3.13Å; N334-G336 VanDerWaalsContact C-N 3.27Å; N334-G336 PolarHBondContact O-N 2.98Å; N334-H337 HydrophobicContact CB-CB 3.99Å; N334-H337 WeakPolarHBondContact O-CB 3.33Å; N334-H337 PolarHBondContact O-N 3.41Å; N334-H337 VanDerWaalsContact O-N 3.09Å; N334-H337 VanDerWaalsContact OD1-CB 3.27Å; N334-H337 WeakPolarHBondContact OD1-CB 3.5Å; N334-H337 PolarHBondContact OD1-N 2.92Å; N334-Y338 PolarHBondContact O-N 2.85Å; N334-Q368 PolarHBondContact OD1-NE2 2.69Å; N334-L461 HydrophobicContact CB-CD2 3.67Å
335	P	98.4	Very high	97.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-61.9	-30.5	-173.8	26.2	-36.6	0	0	0	113.6	L327 L339 L468 I469 V472	L327-P335 HydrophobicContact CD1-CG 4.44Å; P335-L339 WeakPolarHBondContact O-CG 3Å; P335-L339 PolarHBondContact O-N 2.87Å; P335-L339 VanDerWaalsContact O-N 3.08Å; P335-L468 HydrophobicContact CB-CB 4.08Å; P335-L468 HydrophobicContact CG-CB 4.01Å; P335-I469 HydrophobicContact CB-CG1 3.95Å; P335-V472 HydrophobicContact CB-CG2 4.25Å; P335-V472 HydrophobicContact CG-CG2 4.23Å
336	G	97.8	Very high	97.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-76.4	-28.4	176.2	0	0	0	0	0	113.7	N334 G340	N334-G336 VanDerWaalsContact C-N 3.27Å; N334-G336 PolarHBondContact O-N 2.98Å; G336-G340 PolarHBondContact O-N 3Å
337	H	97.5	Very high	97.7	Very high	78 Å²	78	27.4 Å²	27.4	36%	0.361	13%	0.128	S	C	.	.	H	α-helix	trans	-68.2	-44	167.2	174.3	71.8	0	0	0	111.4	N334 L339 G340 H341	N334-H337 HydrophobicContact CB-CB 3.99Å; N334-H337 WeakPolarHBondContact O-CB 3.33Å; N334-H337 PolarHBondContact O-N 3.41Å; N334-H337 VanDerWaalsContact O-N 3.09Å; N334-H337 VanDerWaalsContact OD1-CB 3.27Å; N334-H337 WeakPolarHBondContact OD1-CB 3.5Å; N334-H337 PolarHBondContact OD1-N 2.92Å; H337-L339 PolarHBondContact O-N 3.23Å; H337-G340 PolarHBondContact O-N 3.29Å; H337-H341 WeakPolarHBondContact O-CB 3.38Å; H337-H341 PolarHBondContact O-N 3.08Å
338	Y	98.5	Very high	97.6	Very high	7 Å²	7	30.7 Å²	30.7	3%	0.027	15%	0.15	C	C	.	.	H	α-helix	trans	-56	-47.7	175.4	174	-81.7	0	0	0	111.8	N334 L342 Q412 V415 F416 I469	N334-Y338 PolarHBondContact O-N 2.85Å; Y338-L342 HydrophobicContact CD1-CD1 4.2Å; Y338-L342 HydrophobicContact CE1-CD1 3.46Å; Y338-L342 VanDerWaalsContact CE1-CD1 3.46Å; Y338-L342 HydrophobicContact CE2-CD1 4.48Å; Y338-L342 PolarHBondContact O-N 3.4Å; Y338-Q412 WeakPolarHBondContact OH-CB 3.43Å; Y338-Q412 PolarHBondContact OH-N 2.91Å; Y338-V415 HydrophobicContact CD2-CG1 4.28Å; Y338-V415 HydrophobicContact CE2-CB 3.85Å; Y338-V415 HydrophobicContact CE2-CG1 3.77Å; Y338-F416 HydrophobicContact CD2-CB 4.22Å; Y338-F416 HydrophobicContact CE2-CB 4.31Å; Y338-I469 HydrophobicContact CD1-CB 4.43Å; Y338-I469 HydrophobicContact CD1-CD1 3.7Å; Y338-I469 HydrophobicContact CD1-CG1 3.87Å; Y338-I469 HydrophobicContact CD1-CG2 3.65Å; Y338-I469 HydrophobicContact CD2-CD1 3.97Å; Y338-I469 HydrophobicContact CE1-CD1 3.97Å; Y338-I469 HydrophobicContact CE1-CG1 4.41Å; Y338-I469 HydrophobicContact CE1-CG2 3.65Å; Y338-I469 HydrophobicContact CE2-CD1 4.18Å; Y338-I469 HydrophobicContact CG-CD1 3.74Å; Y338-I469 HydrophobicContact CG-CG1 4.15Å
339	L	98.6	Very high	97.5	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-69.8	-35	176.7	-70	176.5	0	0	0	112.6	P335 H337 L342 I343 F378 L406 I469 V472 L473	P335-L339 WeakPolarHBondContact O-CG 3Å; P335-L339 PolarHBondContact O-N 2.87Å; P335-L339 VanDerWaalsContact O-N 3.08Å; H337-L339 PolarHBondContact O-N 3.23Å; L339-L342 PolarHBondContact O-N 3.21Å; L339-I343 WeakPolarHBondContact O-CB 3.45Å; L339-I343 WeakPolarHBondContact O-CG1 3.33Å; L339-I343 PolarHBondContact O-N 2.93Å; L339-F378 HydrophobicContact CB-CE2 3.82Å; L339-F378 HydrophobicContact CB-CZ 3.96Å; L339-L406 HydrophobicContact CD2-CD1 4.16Å; L339-I469 HydrophobicContact CD2-CG2 3.99Å; L339-I469 HydrophobicContact CG-CG2 4.28Å; L339-V472 HydrophobicContact CD1-CB 3.76Å; L339-V472 HydrophobicContact CD1-CG1 3.64Å; L339-L473 HydrophobicContact CD1-CB 4.08Å; L339-L473 HydrophobicContact CD2-CB 4.43Å; L339-L473 HydrophobicContact CD2-CD1 4.11Å
340	G	98.1	Very high	97.6	Very high	9 Å²	9	22.7 Å²	22.7	9%	0.093	12%	0.118	C	C	.	.	H	α-helix	trans	-62.4	-45.5	173.9	0	0	0	0	0	112.9	G336 H337 L342 I343 G344 G366	G336-G340 PolarHBondContact O-N 3Å; H337-G340 PolarHBondContact O-N 3.29Å; G340-L342 VanDerWaalsContact C-N 3.27Å; G340-L342 PolarHBondContact O-N 3.49Å; G340-I343 PolarHBondContact O-N 2.96Å; G340-G344 WeakPolarHBondContact O-CA 3.43Å; G340-G344 PolarHBondContact O-N 3.47Å; G340-G366 WeakPolarHBondContact CA-O 3.48Å
341	H	97.6	Very high	97.7	Very high	20 Å²	20	19.5 Å²	19.5	9%	0.093	11%	0.106	C	C	.	.	H	α-helix	trans	-57.1	-38.4	175.4	164.9	67	0	0	0	112.6	H337 H345	H337-H341 WeakPolarHBondContact O-CB 3.38Å; H337-H341 PolarHBondContact O-N 3.08Å; H341-H345 WeakPolarHBondContact O-CB 3.34Å; H341-H345 PolarHBondContact O-N 3.45Å
342	L	98.5	Very high	97.7	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-81.1	-42	179.8	-70.9	172.9	0	0	0	113.7	Y338 L339 G340 H345 Y402 L406 V415 P530	Y338-L342 HydrophobicContact CD1-CD1 4.2Å; Y338-L342 HydrophobicContact CE1-CD1 3.46Å; Y338-L342 VanDerWaalsContact CE1-CD1 3.46Å; Y338-L342 HydrophobicContact CE2-CD1 4.48Å; Y338-L342 PolarHBondContact O-N 3.4Å; L339-L342 PolarHBondContact O-N 3.21Å; G340-L342 VanDerWaalsContact C-N 3.27Å; G340-L342 PolarHBondContact O-N 3.49Å; L342-H345 WeakPolarHBondContact O-CB 3.22Å; L342-Y402 VanDerWaalsContact O-CE1 3.25Å; L342-Y402 WeakPolarHBondContact O-CE1 3.42Å; L342-Y402 PolarHBondContact O-OH 3.13Å; L342-L406 HydrophobicContact CB-CD1 4.32Å; L342-L406 HydrophobicContact CB-CD2 4.3Å; L342-L406 HydrophobicContact CD1-CD2 4.18Å; L342-V415 HydrophobicContact CD2-CG1 4.16Å; L342-V415 HydrophobicContact CG-CG1 4.38Å; L342-P530 HydrophobicContact CD2-CG 3.86Å
343	I	98.5	Very high	97.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-77.5	-36.5	-178.3	-66	174.5	0	0	0	111	L339 G340 H345 L351 L364 F378 I380 Y402 V403 L406 L476	L339-I343 WeakPolarHBondContact O-CB 3.45Å; L339-I343 WeakPolarHBondContact O-CG1 3.33Å; L339-I343 PolarHBondContact O-N 2.93Å; G340-I343 PolarHBondContact O-N 2.96Å; I343-H345 VanDerWaalsContact C-N 3.28Å; I343-H345 PolarHBondContact O-N 3.42Å; I343-L351 HydrophobicContact CG2-CD2 4.22Å; I343-L364 WeakPolarHBondContact O-CD2 3.22Å; I343-F378 HydrophobicContact CD1-CE1 3.8Å; I343-F378 HydrophobicContact CD1-CZ 3.86Å; I343-I380 HydrophobicContact CG2-CD1 3.76Å; I343-I380 HydrophobicContact CG2-CG1 3.93Å; I343-I380 HydrophobicContact CG2-CG2 4.2Å; I343-Y402 HydrophobicContact CG1-CD1 4.22Å; I343-Y402 HydrophobicContact CG1-CE1 4.2Å; I343-V403 HydrophobicContact CD1-CG2 4.17Å; I343-L406 HydrophobicContact CD1-CD1 4.08Å; I343-L406 HydrophobicContact CG1-CD1 3.72Å; I343-L476 HydrophobicContact CD1-CD1 3.77Å
344	G	97.9	Very high	97.8	Very high	7 Å²	7	17 Å²	17	7%	0.072	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	8.8	173.6	0	0	0	0	0	115	G340 Y614	G340-G344 WeakPolarHBondContact O-CA 3.43Å; G340-G344 PolarHBondContact O-N 3.47Å; G344-Y614 PolarHBondContact O-OH 3.08Å
345	H	97.9	Very high	97.8	Very high	18 Å²	18	15.2 Å²	15.2	8%	0.083	9%	0.089	C	C	.	.			trans	-67.7	134.3	-177.4	-165.3	-94.6	0	0	0	111.7	H341 L342 I343 G347 S350 P530 Y614	H341-H345 WeakPolarHBondContact O-CB 3.34Å; H341-H345 PolarHBondContact O-N 3.45Å; L342-H345 WeakPolarHBondContact O-CB 3.22Å; I343-H345 VanDerWaalsContact C-N 3.28Å; I343-H345 PolarHBondContact O-N 3.42Å; H345-G347 VanDerWaalsContact CE1-CA 3.46Å; H345-G347 WeakPolarHBondContact CE1-CA 3.45Å; H345-G347 PolarHBondContact CE1-N 2.95Å; H345-G347 PolarHBondContact ND1-N 3.34Å; H345-G347 VanDerWaalsContact ND1-N 3.15Å; H345-S350 WeakPolarHBondContact O-CB 3.29Å; H345-S350 PolarHBondContact O-OG 3.29Å; H345-P530 VanDerWaalsContact CD2-CG 3.5Å; H345-P530 WeakPolarHBondContact CD2-CG 3.25Å; H345-Y614 HydrophobicContact CB-CE1 4.48Å; H345-Y614 AromaticContact CD2-CE1 3.58Å; H345-Y614 AromaticContact CG-CE1 3.96Å; H345-Y614 AromaticContact NE2-CE1 3.92Å
346	E	97.6	Very high	97.8	Very high	44 Å²	44	16.5 Å²	16.5	21%	0.206	9%	0.094	C	C	.	.			trans	-109.1	-3	-178	-51.4	-169.1	-138.2	0	0	114.4	L352 N610 E611 Y614	E346-L352 HydrophobicContact CB-CD2 3.89Å; E346-L352 HydrophobicContact CG-CD2 3.57Å; E346-L352 WeakPolarHBondContact OE2-CD2 3.36Å; E346-N610 PolarHBondContact OE2-ND2 2.92Å; E346-E611 WeakPolarHBondContact O-CA 3.15Å; E346-Y614 HydrophobicContact CB-CD1 4.13Å; E346-Y614 HydrophobicContact CB-CD2 3.55Å; E346-Y614 HydrophobicContact CB-CE1 4.41Å; E346-Y614 HydrophobicContact CB-CE2 3.85Å; E346-Y614 HydrophobicContact CB-CG 3.68Å; E346-Y614 HydrophobicContact CG-CD2 3.69Å; E346-Y614 HydrophobicContact CG-CE2 3.52Å; E346-Y614 HydrophobicContact CG-CG 4.31Å; E346-Y614 VanDerWaalsContact N-CE1 3.32Å
347	G	95.4	Very high	97.7	Very high	2 Å²	2	19.6 Å²	19.6	2%	0.021	12%	0.116	C	C	.	.	S	Bend	trans	-80.1	175.6	173.3	0	0	0	0	0	114.9	H345 S350 E611	H345-G347 VanDerWaalsContact CE1-CA 3.46Å; H345-G347 WeakPolarHBondContact CE1-CA 3.45Å; H345-G347 PolarHBondContact CE1-N 2.95Å; H345-G347 PolarHBondContact ND1-N 3.34Å; H345-G347 VanDerWaalsContact ND1-N 3.15Å; G347-S350 VanDerWaalsContact O-CB 3.3Å; G347-S350 WeakPolarHBondContact O-CB 3.22Å; G347-S350 PolarHBondContact O-N 3.26Å; G347-S350 PolarHBondContact O-OG 2.77Å; G347-E611 WeakPolarHBondContact CA-O 2.91Å
348	P	95.8	Very high	97.7	Very high	74 Å²	74	18.6 Å²	18.6	48%	0.481	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	135.2	-164.6	-25.4	34.3	0	0	0	114.9	S350 E611	P348-S350 VanDerWaalsContact C-N 3.32Å; P348-E611 HydrophobicContact CG-CB 4.14Å
349	G	96.3	Very high	97.6	Very high	15 Å²	15	18.4 Å²	18.4	16%	0.155	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	5.8	178.4	0	0	0	0	0	115	F527 K528	G349-F527 WeakPolarHBondContact O-CA 3.46Å; G349-K528 PolarHBondContact O-N 2.67Å
350	S	98.3	Very high	97.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.007	12%	0.115	C	C	.	.	S	Bend	trans	-74.7	174.6	172.8	79.8	0	0	0	0	113.4	H345 G347 P348 L352 S353 E354	H345-S350 WeakPolarHBondContact O-CB 3.29Å; H345-S350 PolarHBondContact O-OG 3.29Å; G347-S350 VanDerWaalsContact O-CB 3.3Å; G347-S350 WeakPolarHBondContact O-CB 3.22Å; G347-S350 PolarHBondContact O-N 3.26Å; G347-S350 PolarHBondContact O-OG 2.77Å; P348-S350 VanDerWaalsContact C-N 3.32Å; S350-L352 PolarHBondContact OG-N 2.89Å; S350-S353 PolarHBondContact O-N 3.25Å; S350-S353 PolarHBondContact OG-N 2.95Å; S350-E354 PolarHBondContact O-N 3.23Å
351	L	98.6	Very high	97.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-55.5	-47.4	169.9	178.7	56.3	0	0	0	112.4	I343 S353 L355 L364 I380 H398 M399 Y402 F527	I343-L351 HydrophobicContact CG2-CD2 4.22Å; L351-S353 PolarHBondContact O-N 3.34Å; L351-L355 HydrophobicContact CD1-CD1 3.8Å; L351-L355 HydrophobicContact CD1-CG 4.25Å; L351-L355 HydrophobicContact CG-CD1 4.02Å; L351-L355 VanDerWaalsContact O-CG 3.28Å; L351-L355 WeakPolarHBondContact O-CG 3.4Å; L351-L355 PolarHBondContact O-N 2.88Å; L351-L364 HydrophobicContact CB-CD1 4.44Å; L351-L364 HydrophobicContact CD2-CD1 3.69Å; L351-L364 HydrophobicContact CG-CD1 3.75Å; L351-I380 HydrophobicContact CD2-CG2 4.2Å; L351-H398 HydrophobicContact CD1-CB 4.48Å; L351-M399 HydrophobicContact CD1-CG 4.34Å; L351-M399 HydrophobicContact CD2-CB 4.45Å; L351-M399 HydrophobicContact CD2-CG 4.06Å; L351-Y402 HydrophobicContact CB-CD1 4.29Å; L351-Y402 HydrophobicContact CB-CD2 4.03Å; L351-Y402 HydrophobicContact CB-CE2 4.48Å; L351-Y402 HydrophobicContact CB-CG 3.93Å; L351-F527 HydrophobicContact CD1-CE1 4.36Å; L351-F527 HydrophobicContact CD1-CZ 4.08Å
352	L	98.6	Very high	97.6	Very high	2 Å²	2	19 Å²	19	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-64.1	-40.9	179.5	-179.4	60.8	0	0	0	112.1	E346 S350 E354 L355 K356 V361 L364	E346-L352 HydrophobicContact CB-CD2 3.89Å; E346-L352 HydrophobicContact CG-CD2 3.57Å; E346-L352 WeakPolarHBondContact OE2-CD2 3.36Å; S350-L352 PolarHBondContact OG-N 2.89Å; L352-E354 PolarHBondContact O-N 2.96Å; L352-L355 PolarHBondContact O-N 2.99Å; L352-K356 HydrophobicContact CD1-CD 3.7Å; L352-K356 HydrophobicContact CD1-CG 3.64Å; L352-K356 HydrophobicContact CD2-CD 4.11Å; L352-K356 HydrophobicContact CG-CD 3.65Å; L352-K356 HydrophobicContact CG-CG 3.99Å; L352-K356 WeakPolarHBondContact O-CB 3.26Å; L352-K356 WeakPolarHBondContact O-CG 3.38Å; L352-K356 PolarHBondContact O-N 3.15Å; L352-V361 HydrophobicContact CD1-CG2 3.56Å; L352-L364 HydrophobicContact CB-CB 4.2Å; L352-L364 HydrophobicContact CD1-CB 3.81Å; L352-L364 HydrophobicContact CD2-CB 4.39Å; L352-L364 HydrophobicContact CG-CB 4.35Å
353	S	97.8	Very high	97.5	Very high	23 Å²	23	22.7 Å²	22.7	16%	0.161	13%	0.133	C	C	.	.	H	α-helix	trans	-55.6	-50.8	-179.3	-178.2	0	0	0	0	112.2	S350 L351 S357 E611	S350-S353 PolarHBondContact O-N 3.25Å; S350-S353 PolarHBondContact OG-N 2.95Å; L351-S353 PolarHBondContact O-N 3.34Å; S353-S357 PolarHBondContact O-N 2.98Å; S353-E611 WeakPolarHBondContact CB-OE1 2.89Å; S353-E611 PolarHBondContact OG-OE1 2.88Å
354	E	98.3	Very high	97.5	Very high	15 Å²	15	23 Å²	23	7%	0.07	13%	0.134	C	C	.	.	H	α-helix	trans	-65.7	-44.9	177.4	-178.3	63.2	-166	0	0	111.6	S350 L352 K356 S357 K358 K526 F527	S350-E354 PolarHBondContact O-N 3.23Å; L352-E354 PolarHBondContact O-N 2.96Å; E354-K356 VanDerWaalsContact C-N 3.35Å; E354-K356 PolarHBondContact O-N 3.05Å; E354-S357 PolarHBondContact O-N 2.78Å; E354-S357 VanDerWaalsContact O-N 3.12Å; E354-S357 PolarHBondContact O-OG 2.87Å; E354-K358 WeakPolarHBondContact O-CG 3.4Å; E354-K358 PolarHBondContact O-N 2.86Å; E354-K358 WeakPolarHBondContact OE1-CE 3.34Å; E354-K358 IonicContact OE1-NZ 3.74Å; E354-K358 PolarHBondContact OE1-NZ 2.99Å; E354-K526 HydrophobicContact CG-CB 4.41Å; E354-K526 IonicContact OE1-NZ 3.68Å; E354-K526 WeakPolarHBondContact OE2-CD 3.42Å; E354-K526 WeakPolarHBondContact OE2-CE 3.31Å; E354-K526 VanDerWaalsContact OE2-CG 3.25Å; E354-K526 WeakPolarHBondContact OE2-CG 3.47Å; E354-K526 IonicContact OE2-NZ 2.75Å; E354-K526 PolarHBondContact OE2-NZ 2.86Å; E354-F527 HydrophobicContact CB-CD1 4.47Å; E354-F527 HydrophobicContact CB-CE1 3.61Å; E354-F527 HydrophobicContact CB-CZ 4.15Å; E354-F527 HydrophobicContact CG-CE1 4.25Å; E354-F527 HydrophobicContact CG-CZ 4.35Å
355	L	98.5	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.5	-36.6	-178.8	-65.7	174.5	0	0	0	112.7	L351 L352 G359 W360 V361 L364 I395 H398	L351-L355 HydrophobicContact CD1-CD1 3.8Å; L351-L355 HydrophobicContact CD1-CG 4.25Å; L351-L355 HydrophobicContact CG-CD1 4.02Å; L351-L355 VanDerWaalsContact O-CG 3.28Å; L351-L355 WeakPolarHBondContact O-CG 3.4Å; L351-L355 PolarHBondContact O-N 2.88Å; L352-L355 PolarHBondContact O-N 2.99Å; L355-G359 PolarHBondContact O-N 3.49Å; L355-G359 VanDerWaalsContact O-N 3.11Å; L355-W360 HydrophobicContact CD2-CE3 3.88Å; L355-W360 HydrophobicContact CD2-CZ3 4.44Å; L355-W360 PolarHBondContact O-N 3.28Å; L355-V361 HydrophobicContact CB-CB 4.49Å; L355-V361 HydrophobicContact CB-CG1 4.22Å; L355-V361 HydrophobicContact CB-CG2 3.49Å; L355-V361 VanDerWaalsContact CB-CG2 3.49Å; L355-V361 HydrophobicContact CD1-CG1 4.4Å; L355-V361 HydrophobicContact CD1-CG2 4.38Å; L355-L364 HydrophobicContact CD1-CD1 4.37Å; L355-I395 HydrophobicContact CD1-CG2 4.23Å; L355-I395 HydrophobicContact CD2-CB 4.4Å; L355-I395 HydrophobicContact CD2-CG1 4.21Å; L355-I395 HydrophobicContact CD2-CG2 4.15Å; L355-H398 HydrophobicContact CD2-CB 4.11Å
356	K	97.2	Very high	97.5	Very high	28 Å²	28	26.8 Å²	26.8	12%	0.122	16%	0.16	C	C	.	.	H	α-helix	trans	-68.4	-38.7	171.5	-70.8	-177	77	146.4	0	112	L352 E354 G359 V361 N362 D607	L352-K356 HydrophobicContact CD1-CD 3.7Å; L352-K356 HydrophobicContact CD1-CG 3.64Å; L352-K356 HydrophobicContact CD2-CD 4.11Å; L352-K356 HydrophobicContact CG-CD 3.65Å; L352-K356 HydrophobicContact CG-CG 3.99Å; L352-K356 WeakPolarHBondContact O-CB 3.26Å; L352-K356 WeakPolarHBondContact O-CG 3.38Å; L352-K356 PolarHBondContact O-N 3.15Å; E354-K356 VanDerWaalsContact C-N 3.35Å; E354-K356 PolarHBondContact O-N 3.05Å; K356-G359 VanDerWaalsContact O-CA 3.31Å; K356-G359 WeakPolarHBondContact O-CA 3.29Å; K356-G359 PolarHBondContact O-N 2.94Å; K356-V361 HydrophobicContact CG-CG2 4.19Å; K356-N362 WeakPolarHBondContact CD-O 3.4Å; K356-N362 VanDerWaalsContact CE-O 3.28Å; K356-N362 WeakPolarHBondContact CE-O 3.35Å; K356-N362 PolarHBondContact NZ-O 3.41Å; K356-D607 WeakPolarHBondContact CE-OD1 3.42Å; K356-D607 IonicContact NZ-OD1 3.57Å; K356-D607 PolarHBondContact NZ-OD1 3.27Å
357	S	96.1	Very high	97.5	Very high	66 Å²	66	25.1 Å²	25.1	46%	0.462	16%	0.155	S	C	.	.	H	α-helix	trans	-65.5	-40.5	176.3	82.1	0	0	0	0	112.6	S353 E354 G359 K662	S353-S357 PolarHBondContact O-N 2.98Å; E354-S357 PolarHBondContact O-N 2.78Å; E354-S357 VanDerWaalsContact O-N 3.12Å; E354-S357 PolarHBondContact O-OG 2.87Å; S357-G359 PolarHBondContact O-N 3.13Å; S357-K662 PolarHBondContact O-NZ 3.43Å
358	K	97.4	Very high	97.6	Very high	57 Å²	57	28.3 Å²	28.3	25%	0.248	17%	0.169	C	C	.	.	H	α-helix	trans	-65	-19.9	169.3	-65.5	-168.1	-165.7	-50.5	0	112.2	E354 W360 H398 K662	E354-K358 WeakPolarHBondContact O-CG 3.4Å; E354-K358 PolarHBondContact O-N 2.86Å; E354-K358 WeakPolarHBondContact OE1-CE 3.34Å; E354-K358 IonicContact OE1-NZ 3.74Å; E354-K358 PolarHBondContact OE1-NZ 2.99Å; K358-W360 HydrophobicContact CB-CD2 3.75Å; K358-W360 HydrophobicContact CB-CE3 4.1Å; K358-W360 HydrophobicContact CB-CG 4Å; K358-W360 HydrophobicContact CD-CD2 3.87Å; K358-W360 HydrophobicContact CD-CE3 3.5Å; K358-W360 VanDerWaalsContact CD-CE3 3.5Å; K358-W360 HydrophobicContact CD-CH2 3.4Å; K358-W360 HydrophobicContact CD-CZ2 3.76Å; K358-W360 HydrophobicContact CD-CZ3 3.26Å; K358-W360 HydrophobicContact CG-CE3 4.48Å; K358-H398 VanDerWaalsContact CE-CE1 3.47Å; K358-H398 WeakPolarHBondContact CE-CE1 3.37Å; K358-H398 WeakPolarHBondContact CE-NE2 3.25Å; K358-H398 PolarHBondContact NZ-NE2 2.61Å; K358-K662 PolarHBondContact O-NZ 3.24Å
359	G	97.5	Very high	97.7	Very high	2 Å²	2	27.8 Å²	27.8	2%	0.021	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	29.6	178	0	0	0	0	0	112.4	L355 K356 S357 T385	L355-G359 PolarHBondContact O-N 3.49Å; L355-G359 VanDerWaalsContact O-N 3.11Å; K356-G359 VanDerWaalsContact O-CA 3.31Å; K356-G359 WeakPolarHBondContact O-CA 3.29Å; K356-G359 PolarHBondContact O-N 2.94Å; S357-G359 PolarHBondContact O-N 3.13Å; G359-T385 WeakPolarHBondContact O-CB 3.4Å; G359-T385 VanDerWaalsContact O-CG2 3.27Å; G359-T385 WeakPolarHBondContact O-CG2 3.33Å; G359-T385 PolarHBondContact O-OG1 3.33Å
360	W	98.6	Very high	97.6	Very high	26 Å²	26	35.1 Å²	35.1	10%	0.098	19%	0.19	C	C	.	.	S	Bend	trans	-93.7	-30.6	-177.9	-68	-17.9	0	0	0	112.7	L355 K358 T385 G388 H391 D394 I395 H398	L355-W360 HydrophobicContact CD2-CE3 3.88Å; L355-W360 HydrophobicContact CD2-CZ3 4.44Å; L355-W360 PolarHBondContact O-N 3.28Å; K358-W360 HydrophobicContact CB-CD2 3.75Å; K358-W360 HydrophobicContact CB-CE3 4.1Å; K358-W360 HydrophobicContact CB-CG 4Å; K358-W360 HydrophobicContact CD-CD2 3.87Å; K358-W360 HydrophobicContact CD-CE3 3.5Å; K358-W360 VanDerWaalsContact CD-CE3 3.5Å; K358-W360 HydrophobicContact CD-CH2 3.4Å; K358-W360 HydrophobicContact CD-CZ2 3.76Å; K358-W360 HydrophobicContact CD-CZ3 3.26Å; K358-W360 HydrophobicContact CG-CE3 4.48Å; W360-T385 WeakPolarHBondContact CA-OG1 3.5Å; W360-T385 PolarHBondContact O-N 2.68Å; W360-T385 PolarHBondContact O-OG1 3.12Å; W360-G388 WeakPolarHBondContact O-CA 3.41Å; W360-H391 HydrophobicContact CD2-CB 3.93Å; W360-H391 AromaticContact CE2-CD2 3.91Å; W360-H391 AromaticContact CE2-CG 3.58Å; W360-H391 HydrophobicContact CE3-CB 4.43Å; W360-H391 HydrophobicContact CG-CB 4.34Å; W360-H391 HydrophobicContact CH2-CB 4.27Å; W360-H391 HydrophobicContact CZ2-CB 3.73Å; W360-H391 AromaticContact CZ2-CG 3.53Å; W360-H391 AromaticContact CZ2-ND1 3.59Å; W360-H391 AromaticContact NE1-CD2 3.44Å; W360-H391 PolarHBondContact NE1-CD2 2.75Å; W360-H391 AromaticContact NE1-CG 3.58Å; W360-D394 HydrophobicContact CH2-CB 3.36Å; W360-D394 HydrophobicContact CZ2-CB 4.25Å; W360-D394 HydrophobicContact CZ3-CB 3.58Å; W360-I395 HydrophobicContact CB-CD1 3.98Å; W360-I395 HydrophobicContact CB-CG1 4.11Å; W360-I395 HydrophobicContact CD2-CG1 4.14Å; W360-I395 HydrophobicContact CE3-CG1 3.57Å; W360-I395 HydrophobicContact CG-CG1 4.41Å; W360-I395 HydrophobicContact CZ3-CG1 4.28Å; W360-H398 AromaticContact CZ3-ND1 3.97Å
361	V	98.4	Very high	97.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.2	C	C	.	.			trans	-136.4	170.4	-178.8	-44.5	0	0	0	0	110.3	L352 L355 K356 V382 D383 I395	L352-V361 HydrophobicContact CD1-CG2 3.56Å; L355-V361 HydrophobicContact CB-CB 4.49Å; L355-V361 HydrophobicContact CB-CG1 4.22Å; L355-V361 HydrophobicContact CB-CG2 3.49Å; L355-V361 VanDerWaalsContact CB-CG2 3.49Å; L355-V361 HydrophobicContact CD1-CG1 4.4Å; L355-V361 HydrophobicContact CD1-CG2 4.38Å; K356-V361 HydrophobicContact CG-CG2 4.19Å; V361-V382 HydrophobicContact CB-CB 4.15Å; V361-V382 HydrophobicContact CG1-CB 3.79Å; V361-V382 HydrophobicContact CG1-CG1 4.19Å; V361-V382 HydrophobicContact CG1-CG2 3.78Å; V361-D383 WeakPolarHBondContact CA-O 3.44Å; V361-D383 VanDerWaalsContact CB-O 3.29Å; V361-D383 WeakPolarHBondContact CB-O 3.36Å; V361-D383 WeakPolarHBondContact CG1-O 3.36Å; V361-I395 HydrophobicContact CG1-CD1 4.39Å
362	N	96.1	Very high	97.4	Very high	17 Å²	17	36.5 Å²	36.5	9%	0.091	20%	0.203	C	C	.	.	S	Bend	trans	-122.5	-34.3	171.8	-58.5	-67.1	0	0	0	113	K356 D383 R663 I666	K356-N362 WeakPolarHBondContact CD-O 3.4Å; K356-N362 VanDerWaalsContact CE-O 3.28Å; K356-N362 WeakPolarHBondContact CE-O 3.35Å; K356-N362 PolarHBondContact NZ-O 3.41Å; N362-D383 VanDerWaalsContact CA-OD1 3.32Å; N362-D383 WeakPolarHBondContact CA-OD1 3.39Å; N362-D383 WeakPolarHBondContact CB-OD1 3.46Å; N362-D383 PolarHBondContact N-OD1 3.03Å; N362-D383 PolarHBondContact ND2-OD2 2.95Å; N362-R663 PolarHBondContact OD1-NH1 3.44Å; N362-R663 PolarHBondContact OD1-NH2 3.21Å; N362-I666 WeakPolarHBondContact OD1-CG2 3.34Å
363	T	97.3	Very high	97.4	Very high	79 Å²	79	39.1 Å²	39.1	49%	0.485	21%	0.214	S	C	.	.			trans	-133	159.7	178.6	63.2	0	0	0	0	111.5	V382 D383	T363-V382 WeakPolarHBondContact O-CA 3.15Å; T363-D383 PolarHBondContact N-OD1 3.14Å
364	L	98.4	Very high	97.3	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	139.9	175.3	-177.8	152.2	0	0	0	110.2	I343 L351 L352 L355 I380 N381 V382	I343-L364 WeakPolarHBondContact O-CD2 3.22Å; L351-L364 HydrophobicContact CB-CD1 4.44Å; L351-L364 HydrophobicContact CD2-CD1 3.69Å; L351-L364 HydrophobicContact CG-CD1 3.75Å; L352-L364 HydrophobicContact CB-CB 4.2Å; L352-L364 HydrophobicContact CD1-CB 3.81Å; L352-L364 HydrophobicContact CD2-CB 4.39Å; L352-L364 HydrophobicContact CG-CB 4.35Å; L355-L364 HydrophobicContact CD1-CD1 4.37Å; L364-I380 HydrophobicContact CD1-CG2 4.08Å; L364-I380 HydrophobicContact CD2-CG2 4.33Å; L364-I380 HydrophobicContact CG-CG2 4.26Å; L364-N381 CarbonylContact C-O 3.51Å; L364-N381 VanDerWaalsContact CA-O 3.31Å; L364-N381 WeakPolarHBondContact CA-O 3.46Å; L364-V382 HydrophobicContact CB-CG1 3.84Å; L364-V382 HydrophobicContact CD1-CG1 3.68Å; L364-V382 HydrophobicContact CG-CG1 3.72Å
365	V	98.3	Very high	97.3	Very high	91 Å²	91	38.6 Å²	38.6	55%	0.552	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	115	171.5	-179.6	0	0	0	0	108.4	I380 N381	V365-I380 WeakPolarHBondContact O-CA 3.4Å; V365-N381 PolarHBondContact N-O 3.04Å; V365-N381 PolarHBondContact O-N 2.87Å
366	G	97.5	Very high	97.3	Very high	14 Å²	14	39.6 Å²	39.6	14%	0.144	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.4	-179	0	0	0	0	0	112.1	G340 I379	G340-G366 WeakPolarHBondContact CA-O 3.48Å; G366-I379 WeakPolarHBondContact CA-O 3.22Å
367	G	97.8	Very high	97.4	Very high	9 Å²	9	38.3 Å²	38.3	9%	0.093	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.6	-175.6	176.9	0	0	0	0	0	115.5	F378 I379	G367-F378 VanDerWaalsContact CA-CZ 3.48Å; G367-F378 WeakPolarHBondContact O-CA 3.29Å; G367-I379 PolarHBondContact N-O 2.88Å; G367-I379 WeakPolarHBondContact O-CG1 3.41Å; G367-I379 PolarHBondContact O-N 2.66Å
368	Q	97.3	Very high	97.5	Very high	70 Å²	70	35.2 Å²	35.2	33%	0.327	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	145.9	171.5	73.4	-166.8	0.6	0	0	111.5	N334 F377	N334-Q368 PolarHBondContact OD1-NE2 2.69Å; Q368-F377 CarbonylContact C-O 3.55Å; Q368-F377 WeakPolarHBondContact CA-O 3.27Å
369	K	97.8	Very high	97.6	Very high	63 Å²	63	33.5 Å²	33.5	27%	0.274	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.1	177.9	164.6	-174.3	168.2	-177	0	108.3	E210 F377 I379	E210-K369 IonicContact OE1-NZ 3.34Å; E210-K369 PolarHBondContact OE1-NZ 3.5Å; E210-K369 IonicContact OE2-NZ 3.7Å; E210-K369 PolarHBondContact OE2-NZ 3.37Å; K369-F377 HydrophobicContact CB-CB 4.21Å; K369-F377 HydrophobicContact CD-CB 4.33Å; K369-F377 HydrophobicContact CD-CD2 4.23Å; K369-F377 HydrophobicContact CG-CB 4.41Å; K369-F377 HydrophobicContact CG-CD2 4.22Å; K369-F377 PolarHBondContact N-O 2.99Å; K369-F377 PolarHBondContact O-N 2.93Å; K369-I379 HydrophobicContact CB-CD1 4.21Å; K369-I379 HydrophobicContact CB-CG1 4.17Å; K369-I379 HydrophobicContact CB-CG2 4.4Å; K369-I379 HydrophobicContact CD-CD1 4.38Å; K369-I379 HydrophobicContact CD-CG2 3.91Å
370	E	94.2	Very high	97.7	Very high	168 Å²	168	33.4 Å²	33.4	79%	0.785	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	147.5	-179.5	-67.4	168.9	-175.2	0	0	111.9
371	G	95.4	Very high	97.7	Very high	22 Å²	22	33.6 Å²	33.6	23%	0.227	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	-87.6	178.3	0	0	0	0	0	110.7	F375	G371-F375 VanDerWaalsContact CA-CE2 3.41Å; G371-F375 WeakPolarHBondContact CA-O 3.47Å
372	A	97.3	Very high	97.7	Very high	8 Å²	8	33.9 Å²	33.9	7%	0.066	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	170.9	166.1	0	0	0	0	0	109.1	L102 E150 F293 G374 F375	L102-A372 HydrophobicContact CD1-CB 3.57Å; E150-A372 HydrophobicContact CG-CB 4.09Å; E150-A372 VanDerWaalsContact OE2-CA 3.26Å; E150-A372 WeakPolarHBondContact OE2-CA 3.46Å; F293-A372 HydrophobicContact CB-CB 4.47Å; F293-A372 HydrophobicContact CD2-CB 3.55Å; F293-A372 HydrophobicContact CE2-CB 4.13Å; F293-A372 HydrophobicContact CG-CB 4.25Å; A372-G374 PolarHBondContact O-N 2.9Å; A372-F375 HydrophobicContact CB-CD1 4.08Å; A372-F375 HydrophobicContact CB-CE1 3.37Å; A372-F375 HydrophobicContact CB-CE2 4.48Å; A372-F375 HydrophobicContact CB-CZ 3.6Å; A372-F375 PolarHBondContact N-O 2.99Å; A372-F375 CarbonylContact O-C 3.57Å; A372-F375 PolarHBondContact O-N 2.95Å
373	K	97.6	Very high	97.8	Very high	57 Å²	57	34.4 Å²	34.4	25%	0.248	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	108	176.4	-172.6	178.9	166.7	-145.1	0	111.3	E150 V290 E292 F293	E150-K373 VanDerWaalsContact OE1-CB 3.23Å; E150-K373 WeakPolarHBondContact OE1-CB 3.22Å; E150-K373 PolarHBondContact OE1-N 2.95Å; E150-K373 PolarHBondContact OE2-N 3.43Å; V290-K373 HydrophobicContact CG1-CD 4.12Å; E292-K373 HydrophobicContact CG-CD 4.05Å; E292-K373 HydrophobicContact CG-CG 4.38Å; E292-K373 VanDerWaalsContact CG-NZ 3.27Å; E292-K373 WeakPolarHBondContact OE1-CE 3.22Å; E292-K373 IonicContact OE1-NZ 2.94Å; E292-K373 PolarHBondContact OE1-NZ 2.73Å; F293-K373 PolarHBondContact N-O 3.03Å
374	G	97.3	Very high	97.9	Very high	27 Å²	27	30.7 Å²	30.7	28%	0.278	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	119	-30.9	-171.3	0	0	0	0	0	115.6	F293 D326 A372	F293-G374 CarbonylContact O-C 3.59Å; F293-G374 WeakPolarHBondContact O-CA 3.33Å; D326-G374 VanDerWaalsContact CB-C 3.45Å; D326-G374 PolarHBondContact N-O 2.74Å; D326-G374 PolarHBondContact OD2-N 3.36Å; A372-G374 PolarHBondContact O-N 2.9Å
375	F	98.4	Very high	97.9	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147	178.2	72.4	-91.5	0	0	0	114.9	H218 F220 F293 P297 G371 A372 F377	H218-F375 AromaticContact CE1-CE1 3.53Å; F220-F375 HydrophobicContact CB-CZ 4.19Å; F220-F375 AromaticContact CD2-CE2 3.96Å; F220-F375 HydrophobicContact CD2-CE2 3.96Å; F220-F375 AromaticContact CD2-CZ 3.76Å; F220-F375 HydrophobicContact CD2-CZ 3.76Å; F220-F375 HydrophobicContact CE2-CE2 4.27Å; F220-F375 HydrophobicContact CE2-CZ 4.48Å; F220-F375 HydrophobicContact CG-CE2 4.45Å; F220-F375 HydrophobicContact CG-CZ 4.19Å; F293-F375 HydrophobicContact CB-CD1 3.79Å; F293-F375 HydrophobicContact CB-CE1 3.7Å; F293-F375 HydrophobicContact CG-CE1 4.32Å; P297-F375 VanDerWaalsContact CD-CD2 3.43Å; P297-F375 VanDerWaalsContact CD-CG 3.47Å; P297-F375 HydrophobicContact CG-CD2 3.7Å; P297-F375 HydrophobicContact CG-CE2 3.6Å; P297-F375 HydrophobicContact CG-CG 4.25Å; P297-F375 HydrophobicContact CG-CZ 4.06Å; G371-F375 VanDerWaalsContact CA-CE2 3.41Å; G371-F375 WeakPolarHBondContact CA-O 3.47Å; A372-F375 HydrophobicContact CB-CD1 4.08Å; A372-F375 HydrophobicContact CB-CE1 3.37Å; A372-F375 HydrophobicContact CB-CE2 4.48Å; A372-F375 HydrophobicContact CB-CZ 3.6Å; A372-F375 PolarHBondContact N-O 2.99Å; A372-F375 CarbonylContact O-C 3.57Å; A372-F375 PolarHBondContact O-N 2.95Å; F375-F377 HydrophobicContact CD2-CE1 4.37Å; F375-F377 HydrophobicContact CD2-CE2 4.24Å; F375-F377 AromaticContact CD2-CZ 3.89Å; F375-F377 HydrophobicContact CD2-CZ 3.89Å; F375-F377 AromaticContact CE2-CE2 3.92Å; F375-F377 HydrophobicContact CE2-CE2 3.92Å; F375-F377 AromaticContact CE2-CZ 3.65Å; F375-F377 HydrophobicContact CE2-CZ 3.65Å
376	M	98.7	Very high	97.8	Very high	21 Å²	21	32 Å²	32	10%	0.103	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	172.4	173.2	-78.4	-179.4	175.6	0	0	110.2	H296 I324 L327 Q328	H296-M376 PolarHBondContact NE2-O 2.7Å; I324-M376 HydrophobicContact CD1-CB 3.88Å; I324-M376 HydrophobicContact CG1-CB 3.7Å; I324-M376 WeakPolarHBondContact CG1-O 3.48Å; I324-M376 PolarHBondContact N-O 2.94Å; I324-M376 PolarHBondContact O-N 3.22Å; L327-M376 HydrophobicContact CB-SD 3.91Å; L327-M376 HydrophobicContact CG-SD 4.31Å; L327-M376 PolarHBondContact N-SD 3.1Å; L327-M376 VanDerWaalsContact N-SD 3.36Å; Q328-M376 HydrophobicContact CB-CE 3.93Å
377	F	98.7	Very high	97.8	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	152.1	174.5	-49.6	-74.6	0	0	0	110.5	F220 H296 P297 F298 T321 F322 I324 Q368 K369 F375	F220-F377 HydrophobicContact CE1-CZ 4.05Å; F220-F377 HydrophobicContact CE2-CE2 4.04Å; F220-F377 HydrophobicContact CE2-CZ 4Å; F220-F377 AromaticContact CZ-CE2 3.9Å; F220-F377 HydrophobicContact CZ-CE2 3.9Å; F220-F377 AromaticContact CZ-CZ 3.66Å; F220-F377 HydrophobicContact CZ-CZ 3.66Å; H296-F377 AromaticContact CE1-CE1 3.77Å; H296-F377 AromaticContact NE2-CD1 3.86Å; H296-F377 AromaticContact NE2-CE1 3.72Å; P297-F377 HydrophobicContact CG-CE1 4Å; P297-F377 HydrophobicContact CG-CZ 3.91Å; F298-F377 HydrophobicContact CD2-CD1 4.23Å; F298-F377 AromaticContact CD2-CE1 3.84Å; F298-F377 HydrophobicContact CD2-CE1 3.84Å; F298-F377 AromaticContact CE2-CD1 3.76Å; F298-F377 HydrophobicContact CE2-CD1 3.76Å; F298-F377 AromaticContact CE2-CE1 3.33Å; F298-F377 HydrophobicContact CE2-CE1 3.33Å; F298-F377 HydrophobicContact CE2-CZ 4.26Å; F298-F377 AromaticContact CZ-CE1 3.9Å; F298-F377 HydrophobicContact CZ-CE1 3.9Å; F298-F377 HydrophobicContact CZ-CZ 4.42Å; T321-F377 HydrophobicContact CG2-CB 4.06Å; T321-F377 HydrophobicContact CG2-CD1 4.14Å; T321-F377 HydrophobicContact CG2-CG 4.36Å; F322-F377 WeakPolarHBondContact O-CA 3.43Å; I324-F377 WeakPolarHBondContact CD1-O 3.3Å; Q368-F377 CarbonylContact C-O 3.55Å; Q368-F377 WeakPolarHBondContact CA-O 3.27Å; K369-F377 HydrophobicContact CB-CB 4.21Å; K369-F377 HydrophobicContact CD-CB 4.33Å; K369-F377 HydrophobicContact CD-CD2 4.23Å; K369-F377 HydrophobicContact CG-CB 4.41Å; K369-F377 HydrophobicContact CG-CD2 4.22Å; K369-F377 PolarHBondContact N-O 2.99Å; K369-F377 PolarHBondContact O-N 2.93Å; F375-F377 HydrophobicContact CD2-CE1 4.37Å; F375-F377 HydrophobicContact CD2-CE2 4.24Å; F375-F377 AromaticContact CD2-CZ 3.89Å; F375-F377 HydrophobicContact CD2-CZ 3.89Å; F375-F377 AromaticContact CE2-CE2 3.92Å; F375-F377 HydrophobicContact CE2-CE2 3.92Å; F375-F377 AromaticContact CE2-CZ 3.65Å; F375-F377 HydrophobicContact CE2-CZ 3.65Å
378	F	98.9	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.5	159.8	-160	-81.7	0	0	0	108.5	T321 F322 I324 L339 I343 G367 I380 V472 L476	T321-F378 CarbonylContact C-O 3.51Å; T321-F378 WeakPolarHBondContact CA-O 3.34Å; F322-F378 HydrophobicContact CB-CB 4.39Å; F322-F378 PolarHBondContact N-O 2.75Å; F322-F378 PolarHBondContact O-N 3.4Å; I324-F378 HydrophobicContact CD1-CB 4.29Å; I324-F378 HydrophobicContact CG2-CB 4.07Å; L339-F378 HydrophobicContact CB-CE2 3.82Å; L339-F378 HydrophobicContact CB-CZ 3.96Å; I343-F378 HydrophobicContact CD1-CE1 3.8Å; I343-F378 HydrophobicContact CD1-CZ 3.86Å; G367-F378 VanDerWaalsContact CA-CZ 3.48Å; G367-F378 WeakPolarHBondContact O-CA 3.29Å; F378-I380 HydrophobicContact CE1-CG1 4.31Å; F378-V472 HydrophobicContact CD2-CG1 4.46Å; F378-L476 HydrophobicContact CB-CD2 3.6Å; F378-L476 HydrophobicContact CD1-CD1 3.96Å; F378-L476 HydrophobicContact CD1-CD2 3.68Å; F378-L476 HydrophobicContact CD2-CD2 4.39Å; F378-L476 HydrophobicContact CE1-CD1 3.94Å; F378-L476 HydrophobicContact CE1-CD2 4.49Å; F378-L476 HydrophobicContact CG-CD1 4.33Å; F378-L476 HydrophobicContact CG-CD2 3.63Å; F378-L476 HydrophobicContact CZ-CD1 4.27Å
379	I	98.8	Very high	97.9	Very high	21 Å²	21	34.4 Å²	34.4	11%	0.108	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.3	-176.1	51.5	164.6	0	0	0	111.8	V320 T321 G366 G367 K369	V320-I379 CarbonylContact O-C 3.52Å; V320-I379 WeakPolarHBondContact O-CA 3.45Å; T321-I379 HydrophobicContact CG2-CG2 4.22Å; G366-I379 WeakPolarHBondContact CA-O 3.22Å; G367-I379 PolarHBondContact N-O 2.88Å; G367-I379 WeakPolarHBondContact O-CG1 3.41Å; G367-I379 PolarHBondContact O-N 2.66Å; K369-I379 HydrophobicContact CB-CD1 4.21Å; K369-I379 HydrophobicContact CB-CG1 4.17Å; K369-I379 HydrophobicContact CB-CG2 4.4Å; K369-I379 HydrophobicContact CD-CD1 4.38Å; K369-I379 HydrophobicContact CD-CG2 3.91Å
380	I	98.8	Very high	97.9	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	103.1	162.8	-43.4	178.2	0	0	0	106.6	V320 F322 I343 L351 L364 V365 F378 M399	V320-I380 HydrophobicContact CB-CB 4.47Å; V320-I380 WeakPolarHBondContact CB-O 3.31Å; V320-I380 PolarHBondContact N-O 3.4Å; V320-I380 PolarHBondContact O-N 2.79Å; F322-I380 HydrophobicContact CE2-CD1 4.29Å; F322-I380 HydrophobicContact CE2-CG1 4.5Å; I343-I380 HydrophobicContact CG2-CD1 3.76Å; I343-I380 HydrophobicContact CG2-CG1 3.93Å; I343-I380 HydrophobicContact CG2-CG2 4.2Å; L351-I380 HydrophobicContact CD2-CG2 4.2Å; L364-I380 HydrophobicContact CD1-CG2 4.08Å; L364-I380 HydrophobicContact CD2-CG2 4.33Å; L364-I380 HydrophobicContact CG-CG2 4.26Å; V365-I380 WeakPolarHBondContact O-CA 3.4Å; F378-I380 HydrophobicContact CE1-CG1 4.31Å; I380-M399 HydrophobicContact CB-CE 4.26Å; I380-M399 HydrophobicContact CB-SD 4.14Å; I380-M399 HydrophobicContact CD1-CB 4.33Å; I380-M399 HydrophobicContact CG2-CE 3.72Å; I380-M399 HydrophobicContact CG2-CG 4.28Å; I380-M399 HydrophobicContact CG2-SD 3.98Å
381	N	98.6	Very high	98.1	Very high	30 Å²	30	32.7 Å²	32.7	16%	0.16	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.4	-175.5	-58.9	-22.8	0	0	0	110	L318 Y319 L364 V365	L318-N381 CarbonylContact O-C 3.5Å; L318-N381 WeakPolarHBondContact O-CA 3.44Å; Y319-N381 WeakPolarHBondContact CA-OD1 3.22Å; Y319-N381 HydrophobicContact CD1-CB 4.1Å; Y319-N381 VanDerWaalsContact CD1-CG 3.43Å; Y319-N381 WeakPolarHBondContact CD1-OD1 3.3Å; Y319-N381 HydrophobicContact CE1-CB 4.45Å; L364-N381 CarbonylContact C-O 3.51Å; L364-N381 VanDerWaalsContact CA-O 3.31Å; L364-N381 WeakPolarHBondContact CA-O 3.46Å; V365-N381 PolarHBondContact N-O 3.04Å; V365-N381 PolarHBondContact O-N 2.87Å
382	V	98.8	Very high	98.3	Very high	6 Å²	6	32.2 Å²	32.2	4%	0.036	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	150.4	177.2	-62	0	0	0	0	111.1	N317 L318 V361 T363 L364 L384 I395 M399	N317-V382 WeakPolarHBondContact CA-O 3.22Å; L318-V382 HydrophobicContact CB-CG2 3.77Å; L318-V382 HydrophobicContact CD2-CG2 4.04Å; L318-V382 HydrophobicContact CG-CG2 4.21Å; L318-V382 PolarHBondContact N-O 2.92Å; L318-V382 PolarHBondContact O-N 2.91Å; V361-V382 HydrophobicContact CB-CB 4.15Å; V361-V382 HydrophobicContact CG1-CB 3.79Å; V361-V382 HydrophobicContact CG1-CG1 4.19Å; V361-V382 HydrophobicContact CG1-CG2 3.78Å; T363-V382 WeakPolarHBondContact O-CA 3.15Å; L364-V382 HydrophobicContact CB-CG1 3.84Å; L364-V382 HydrophobicContact CD1-CG1 3.68Å; L364-V382 HydrophobicContact CG-CG1 3.72Å; V382-L384 HydrophobicContact CG2-CD2 4Å; V382-I395 HydrophobicContact CG2-CG2 4.44Å; V382-M399 HydrophobicContact CG1-CE 4.06Å; V382-M399 HydrophobicContact CG2-CE 4.27Å
383	D	98.4	Very high	98.3	Very high	28 Å²	28	36.5 Å²	36.5	15%	0.15	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	160.4	159.5	83.7	-56.7	0	0	0	110	V361 N362 T363	V361-D383 WeakPolarHBondContact CA-O 3.44Å; V361-D383 VanDerWaalsContact CB-O 3.29Å; V361-D383 WeakPolarHBondContact CB-O 3.36Å; V361-D383 WeakPolarHBondContact CG1-O 3.36Å; N362-D383 VanDerWaalsContact CA-OD1 3.32Å; N362-D383 WeakPolarHBondContact CA-OD1 3.39Å; N362-D383 WeakPolarHBondContact CB-OD1 3.46Å; N362-D383 PolarHBondContact N-OD1 3.03Å; N362-D383 PolarHBondContact ND2-OD2 2.95Å; T363-D383 PolarHBondContact N-OD1 3.14Å
384	L	98.7	Very high	98.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.			trans	-123.2	131.1	-179.3	-58.5	172.3	0	0	0	111.5	R316 L318 V382 L389 V392 I395 V485	R316-L384 HydrophobicContact CB-CB 3.87Å; R316-L384 WeakPolarHBondContact CB-O 3.24Å; R316-L384 PolarHBondContact NH1-O 3.5Å; R316-L384 PolarHBondContact O-N 3.45Å; L318-L384 HydrophobicContact CB-CD1 4.03Å; L318-L384 HydrophobicContact CB-CD2 3.95Å; L318-L384 HydrophobicContact CB-CG 4.16Å; V382-L384 HydrophobicContact CG2-CD2 4Å; L384-L389 HydrophobicContact CD1-CD1 4.23Å; L384-V392 HydrophobicContact CD1-CG2 4.18Å; L384-I395 HydrophobicContact CD2-CD1 3.57Å; L384-V485 HydrophobicContact CD1-CG1 4.06Å
385	T	98.4	Very high	98.4	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.031	18%	0.177	C	C	.	.			trans	-70	177	161.6	66.5	0	0	0	0	110.5	G359 W360 G388 L389 I666	G359-T385 WeakPolarHBondContact O-CB 3.4Å; G359-T385 VanDerWaalsContact O-CG2 3.27Å; G359-T385 WeakPolarHBondContact O-CG2 3.33Å; G359-T385 PolarHBondContact O-OG1 3.33Å; W360-T385 WeakPolarHBondContact CA-OG1 3.5Å; W360-T385 PolarHBondContact O-N 2.68Å; W360-T385 PolarHBondContact O-OG1 3.12Å; T385-G388 PolarHBondContact O-N 2.96Å; T385-G388 PolarHBondContact OG1-N 3.09Å; T385-L389 PolarHBondContact O-N 3.41Å; T385-I666 HydrophobicContact CG2-CD1 4.25Å; T385-I666 HydrophobicContact CG2-CG1 4.22Å; T385-I666 HydrophobicContact CG2-CG2 3.59Å
386	E	96.6	Very high	98.5	Very high	119 Å²	119	35.6 Å²	35.6	56%	0.556	18%	0.177	S	C	*	.	H	α-helix	trans	-62.7	-45.9	175	-62.5	-176	116.3	0	0	111.1	R316 G388 L389 E669	R316-E386 VanDerWaalsContact NH2-CG 3.29Å; R316-E386 IonicContact NH2-OE1 3.4Å; E386-G388 PolarHBondContact O-N 3.36Å; E386-L389 PolarHBondContact O-N 3.49Å; E386-E669 HydrophobicContact CG-CG 4.48Å
387	E	97.9	Very high	98.5	Very high	109 Å²	109	36.1 Å²	36.1	51%	0.509	18%	0.179	S	C	.	.	H	α-helix	trans	-62.2	-40.8	171.7	-64.3	-66.3	109.7	0	0	112.1	L389 L390 H391	E387-L389 VanDerWaalsContact C-N 3.26Å; E387-L389 PolarHBondContact O-N 3.12Å; E387-L390 WeakPolarHBondContact O-CB 3.49Å; E387-L390 PolarHBondContact O-N 2.93Å; E387-H391 PolarHBondContact O-CD2 2.78Å; E387-H391 PolarHBondContact O-N 3.23Å
388	G	98.4	Very high	98.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.3	-31.7	178.6	0	0	0	0	0	113.7	W360 T385 E386 L390 H391 V392 I395	W360-G388 WeakPolarHBondContact O-CA 3.41Å; T385-G388 PolarHBondContact O-N 2.96Å; T385-G388 PolarHBondContact OG1-N 3.09Å; E386-G388 PolarHBondContact O-N 3.36Å; G388-L390 VanDerWaalsContact C-N 3.29Å; G388-L390 PolarHBondContact O-N 2.88Å; G388-H391 PolarHBondContact O-N 3.02Å; G388-V392 PolarHBondContact O-N 2.96Å; G388-I395 VanDerWaalsContact O-CD1 3.31Å; G388-I395 WeakPolarHBondContact O-CD1 3.46Å
389	L	98.4	Very high	98.4	Very high	36 Å²	36	37 Å²	37	19%	0.188	18%	0.183	C	C	.	.	H	α-helix	trans	-68	-28.3	173.2	179.6	63.8	0	0	0	112.6	L384 T385 E386 E387 V485 S487	L384-L389 HydrophobicContact CD1-CD1 4.23Å; T385-L389 PolarHBondContact O-N 3.41Å; E386-L389 PolarHBondContact O-N 3.49Å; E387-L389 VanDerWaalsContact C-N 3.26Å; E387-L389 PolarHBondContact O-N 3.12Å; L389-V485 HydrophobicContact CD1-CG1 3.72Å; L389-S487 VanDerWaalsContact CD2-OG 3.31Å; L389-S487 WeakPolarHBondContact CD2-OG 3.41Å
390	L	98.3	Very high	98.5	Very high	134 Å²	134	36.3 Å²	36.3	70%	0.702	18%	0.179	S	C	*	.	H	α-helix	trans	-80.7	-29.9	173.9	-56.2	179.2	0	0	0	112.1	E387 G388	E387-L390 WeakPolarHBondContact O-CB 3.49Å; E387-L390 PolarHBondContact O-N 2.93Å; G388-L390 VanDerWaalsContact C-N 3.29Å; G388-L390 PolarHBondContact O-N 2.88Å
391	H	98.6	Very high	98.4	Very high	61 Å²	61	36.7 Å²	36.7	28%	0.282	18%	0.181	S	C	.	.			trans	-99.8	25.2	-174.6	-77.2	-75	0	0	0	114.9	W360 E387 G388 E393 D394 I395	W360-H391 HydrophobicContact CD2-CB 3.93Å; W360-H391 AromaticContact CE2-CD2 3.91Å; W360-H391 AromaticContact CE2-CG 3.58Å; W360-H391 HydrophobicContact CE3-CB 4.43Å; W360-H391 HydrophobicContact CG-CB 4.34Å; W360-H391 HydrophobicContact CH2-CB 4.27Å; W360-H391 HydrophobicContact CZ2-CB 3.73Å; W360-H391 AromaticContact CZ2-CG 3.53Å; W360-H391 AromaticContact CZ2-ND1 3.59Å; W360-H391 AromaticContact NE1-CD2 3.44Å; W360-H391 PolarHBondContact NE1-CD2 2.75Å; W360-H391 AromaticContact NE1-CG 3.58Å; E387-H391 PolarHBondContact O-CD2 2.78Å; E387-H391 PolarHBondContact O-N 3.23Å; G388-H391 PolarHBondContact O-N 3.02Å; H391-E393 VanDerWaalsContact C-N 3.35Å; H391-E393 PolarHBondContact O-N 3.41Å; H391-D394 HydrophobicContact CB-CB 4.37Å; H391-D394 IonicContact CE1-OD2 3.66Å; H391-D394 IonicContact CG-OD2 2.7Å; H391-D394 IonicContact ND1-OD2 2.71Å; H391-D394 PolarHBondContact ND1-OD2 3.43Å; H391-D394 WeakPolarHBondContact O-CB 3.26Å; H391-D394 PolarHBondContact O-N 3.34Å; H391-D394 VanDerWaalsContact O-N 3.08Å; H391-I395 WeakPolarHBondContact O-CG1 3.41Å; H391-I395 PolarHBondContact O-N 2.81Å
392	V	98.7	Very high	98.5	Very high	12 Å²	12	35.3 Å²	35.3	7%	0.073	17%	0.173	C	C	.	.	H	α-helix	trans	-54.7	-43.7	-177.2	169.5	0	0	0	0	113.4	F306 L318 L384 G388 D394 I395 I396 V485	F306-V392 HydrophobicContact CE2-CG1 4.25Å; F306-V392 HydrophobicContact CZ-CG1 4.28Å; L318-V392 HydrophobicContact CD1-CG1 4.17Å; L318-V392 HydrophobicContact CD2-CG1 4.41Å; L384-V392 HydrophobicContact CD1-CG2 4.18Å; G388-V392 PolarHBondContact O-N 2.96Å; V392-D394 VanDerWaalsContact C-N 3.33Å; V392-D394 PolarHBondContact O-N 3.22Å; V392-I395 PolarHBondContact O-N 3.42Å; V392-I396 HydrophobicContact CG1-CD1 3.8Å; V392-I396 VanDerWaalsContact O-CG1 3.3Å; V392-I396 WeakPolarHBondContact O-CG1 3.45Å; V392-I396 PolarHBondContact O-N 3.49Å; V392-V485 HydrophobicContact CG1-CG2 3.84Å; V392-V485 HydrophobicContact CG2-CG1 4.46Å; V392-V485 HydrophobicContact CG2-CG2 4.12Å
393	E	97.9	Very high	98.4	Very high	98 Å²	98	35 Å²	35	46%	0.458	17%	0.172	S	C	.	.	H	α-helix	trans	-67.3	-33.5	179.1	-65.8	-163.6	117	0	0	112.8	H391 F397 S514 W518	H391-E393 VanDerWaalsContact C-N 3.35Å; H391-E393 PolarHBondContact O-N 3.41Å; E393-F397 WeakPolarHBondContact O-CB 3.43Å; E393-F397 PolarHBondContact O-N 3.12Å; E393-S514 VanDerWaalsContact OE1-CB 3.26Å; E393-S514 WeakPolarHBondContact OE1-CB 3.5Å; E393-S514 PolarHBondContact OE1-OG 2.75Å; E393-W518 HydrophobicContact CB-CZ2 4.39Å; E393-W518 HydrophobicContact CG-CZ2 4.24Å; E393-W518 PolarHBondContact O-NE1 3.25Å; E393-W518 VanDerWaalsContact O-NE1 3.09Å
394	D	98.4	Very high	98.4	Very high	65 Å²	65	36.5 Å²	36.5	35%	0.348	18%	0.178	S	C	.	.	H	α-helix	trans	-71.1	-38.7	174.5	-68.2	-58	0	0	0	111.9	W360 H391 V392 I396 F397 H398	W360-D394 HydrophobicContact CH2-CB 3.36Å; W360-D394 HydrophobicContact CZ2-CB 4.25Å; W360-D394 HydrophobicContact CZ3-CB 3.58Å; H391-D394 HydrophobicContact CB-CB 4.37Å; H391-D394 IonicContact CE1-OD2 3.66Å; H391-D394 IonicContact CG-OD2 2.7Å; H391-D394 IonicContact ND1-OD2 2.71Å; H391-D394 PolarHBondContact ND1-OD2 3.43Å; H391-D394 WeakPolarHBondContact O-CB 3.26Å; H391-D394 PolarHBondContact O-N 3.34Å; H391-D394 VanDerWaalsContact O-N 3.08Å; V392-D394 VanDerWaalsContact C-N 3.33Å; V392-D394 PolarHBondContact O-N 3.22Å; D394-I396 VanDerWaalsContact C-N 3.33Å; D394-F397 PolarHBondContact O-N 2.88Å; D394-H398 PolarHBondContact O-N 2.86Å; D394-H398 PolarHBondContact O-ND1 3.35Å
395	I	98.8	Very high	98.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-47.3	174.8	-66.1	165.7	0	0	0	109.4	L318 L355 W360 V361 V382 L384 G388 H391 V392 H398 M399	L318-I395 HydrophobicContact CD2-CB 4.23Å; L318-I395 HydrophobicContact CD2-CG2 3.67Å; L355-I395 HydrophobicContact CD1-CG2 4.23Å; L355-I395 HydrophobicContact CD2-CB 4.4Å; L355-I395 HydrophobicContact CD2-CG1 4.21Å; L355-I395 HydrophobicContact CD2-CG2 4.15Å; W360-I395 HydrophobicContact CB-CD1 3.98Å; W360-I395 HydrophobicContact CB-CG1 4.11Å; W360-I395 HydrophobicContact CD2-CG1 4.14Å; W360-I395 HydrophobicContact CE3-CG1 3.57Å; W360-I395 HydrophobicContact CG-CG1 4.41Å; W360-I395 HydrophobicContact CZ3-CG1 4.28Å; V361-I395 HydrophobicContact CG1-CD1 4.39Å; V382-I395 HydrophobicContact CG2-CG2 4.44Å; L384-I395 HydrophobicContact CD2-CD1 3.57Å; G388-I395 VanDerWaalsContact O-CD1 3.31Å; G388-I395 WeakPolarHBondContact O-CD1 3.46Å; H391-I395 WeakPolarHBondContact O-CG1 3.41Å; H391-I395 PolarHBondContact O-N 2.81Å; V392-I395 PolarHBondContact O-N 3.42Å; I395-H398 PolarHBondContact O-N 2.91Å; I395-M399 HydrophobicContact CG2-CE 3.9Å; I395-M399 WeakPolarHBondContact O-CG 3.26Å; I395-M399 PolarHBondContact O-N 3.35Å
396	I	98.8	Very high	98.4	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-40.4	177.7	-64	165	0	0	0	111	L318 V320 V392 D394 H398 M399 F400 V483 W518	L318-I396 HydrophobicContact CD1-CD1 4.23Å; L318-I396 HydrophobicContact CD1-CG1 4.46Å; L318-I396 HydrophobicContact CD2-CG1 4.01Å; V320-I396 HydrophobicContact CG2-CG1 4.19Å; V392-I396 HydrophobicContact CG1-CD1 3.8Å; V392-I396 VanDerWaalsContact O-CG1 3.3Å; V392-I396 WeakPolarHBondContact O-CG1 3.45Å; V392-I396 PolarHBondContact O-N 3.49Å; D394-I396 VanDerWaalsContact C-N 3.33Å; I396-H398 VanDerWaalsContact C-N 3.33Å; I396-H398 PolarHBondContact O-N 3.35Å; I396-M399 WeakPolarHBondContact O-CB 3.27Å; I396-M399 PolarHBondContact O-N 3.21Å; I396-F400 HydrophobicContact CG2-CD2 3.77Å; I396-F400 HydrophobicContact CG2-CE2 3.51Å; I396-F400 VanDerWaalsContact O-CD2 3.25Å; I396-F400 WeakPolarHBondContact O-CD2 3.38Å; I396-F400 PolarHBondContact O-N 3.04Å; I396-V483 HydrophobicContact CD1-CG1 3.8Å; I396-V483 HydrophobicContact CD1-CG2 3.95Å; I396-W518 HydrophobicContact CB-CZ2 3.92Å; I396-W518 HydrophobicContact CD1-CH2 3.96Å; I396-W518 HydrophobicContact CD1-CZ2 3.85Å; I396-W518 HydrophobicContact CG2-CD2 3.62Å; I396-W518 VanDerWaalsContact CG2-CE2 3.46Å; I396-W518 HydrophobicContact CG2-CE3 3.89Å; I396-W518 HydrophobicContact CG2-CG 4.22Å; I396-W518 HydrophobicContact CG2-CH2 3.94Å; I396-W518 HydrophobicContact CG2-CZ2 3.66Å; I396-W518 HydrophobicContact CG2-CZ3 4.03Å
397	F	98.7	Very high	98.4	Very high	32 Å²	32	35.9 Å²	35.9	14%	0.14	17%	0.171	C	C	.	.	H	α-helix	trans	-58.4	-43.4	172.4	-177.7	-97.5	0	0	0	111.7	E393 D394 M399 F400 Q401 N517 A521	E393-F397 WeakPolarHBondContact O-CB 3.43Å; E393-F397 PolarHBondContact O-N 3.12Å; D394-F397 PolarHBondContact O-N 2.88Å; F397-M399 PolarHBondContact O-N 3.14Å; F397-F400 PolarHBondContact O-N 3.12Å; F397-Q401 HydrophobicContact CD1-CG 4.01Å; F397-Q401 VanDerWaalsContact CE1-CD 3.42Å; F397-Q401 HydrophobicContact CE1-CG 3.78Å; F397-Q401 VanDerWaalsContact CE1-NE2 3.26Å; F397-Q401 HydrophobicContact CZ-CG 4.27Å; F397-Q401 WeakPolarHBondContact O-CG 3.36Å; F397-Q401 PolarHBondContact O-N 2.89Å; F397-N517 WeakPolarHBondContact CE2-O 3.41Å; F397-A521 HydrophobicContact CD2-CB 4.16Å; F397-A521 HydrophobicContact CE2-CB 3.9Å; F397-A521 HydrophobicContact CZ-CB 4.34Å
398	H	98.8	Very high	98.4	Very high	16 Å²	16	34.3 Å²	34.3	7%	0.074	17%	0.169	C	C	.	.	H	α-helix	trans	-66.7	-34.4	176	-76.5	73.9	0	0	0	112.9	L351 L355 K358 W360 D394 I395 I396 F400 Q401 Y402 F527	L351-H398 HydrophobicContact CD1-CB 4.48Å; L355-H398 HydrophobicContact CD2-CB 4.11Å; K358-H398 VanDerWaalsContact CE-CE1 3.47Å; K358-H398 WeakPolarHBondContact CE-CE1 3.37Å; K358-H398 WeakPolarHBondContact CE-NE2 3.25Å; K358-H398 PolarHBondContact NZ-NE2 2.61Å; W360-H398 AromaticContact CZ3-ND1 3.97Å; D394-H398 PolarHBondContact O-N 2.86Å; D394-H398 PolarHBondContact O-ND1 3.35Å; I395-H398 PolarHBondContact O-N 2.91Å; I396-H398 VanDerWaalsContact C-N 3.33Å; I396-H398 PolarHBondContact O-N 3.35Å; H398-F400 VanDerWaalsContact C-N 3.35Å; H398-Q401 PolarHBondContact CD2-OE1 3.11Å; H398-Q401 PolarHBondContact O-N 3.23Å; H398-Y402 PolarHBondContact O-N 3.01Å; H398-F527 HydrophobicContact CB-CE2 4.39Å; H398-F527 HydrophobicContact CB-CZ 4.1Å; H398-F527 AromaticContact CD2-CZ 3.91Å; H398-F527 WeakPolarHBondContact O-CE2 3.41Å
399	M	98.8	Very high	98.4	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.015	19%	0.189	C	C	.	.	H	α-helix	trans	-59.1	-46.1	169.6	-65.4	174.3	172.9	0	0	110.9	L318 V320 L351 I380 V382 I395 I396 F397 Y402 V403	L318-M399 HydrophobicContact CD2-CE 4.05Å; V320-M399 HydrophobicContact CB-SD 4.19Å; V320-M399 HydrophobicContact CG2-CE 4.2Å; V320-M399 HydrophobicContact CG2-SD 3.67Å; L351-M399 HydrophobicContact CD1-CG 4.34Å; L351-M399 HydrophobicContact CD2-CB 4.45Å; L351-M399 HydrophobicContact CD2-CG 4.06Å; I380-M399 HydrophobicContact CB-CE 4.26Å; I380-M399 HydrophobicContact CB-SD 4.14Å; I380-M399 HydrophobicContact CD1-CB 4.33Å; I380-M399 HydrophobicContact CG2-CE 3.72Å; I380-M399 HydrophobicContact CG2-CG 4.28Å; I380-M399 HydrophobicContact CG2-SD 3.98Å; V382-M399 HydrophobicContact CG1-CE 4.06Å; V382-M399 HydrophobicContact CG2-CE 4.27Å; I395-M399 HydrophobicContact CG2-CE 3.9Å; I395-M399 WeakPolarHBondContact O-CG 3.26Å; I395-M399 PolarHBondContact O-N 3.35Å; I396-M399 WeakPolarHBondContact O-CB 3.27Å; I396-M399 PolarHBondContact O-N 3.21Å; F397-M399 PolarHBondContact O-N 3.14Å; M399-Y402 PolarHBondContact O-N 3.31Å; M399-V403 WeakPolarHBondContact O-CG2 3.43Å; M399-V403 PolarHBondContact O-N 2.9Å
400	F	98.8	Very high	98.4	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-70.5	-34.4	178	-73.4	-62	0	0	0	113.6	F322 I396 F397 H398 Y402 V403 Q404 P478 V481 W518 A521	F322-F400 AromaticContact CE1-CE1 3.8Å; F322-F400 HydrophobicContact CE1-CE1 3.8Å; F322-F400 AromaticContact CE1-CZ 3.77Å; F322-F400 HydrophobicContact CE1-CZ 3.77Å; F322-F400 AromaticContact CZ-CE1 3.69Å; F322-F400 HydrophobicContact CZ-CE1 3.69Å; F322-F400 AromaticContact CZ-CZ 3.69Å; F322-F400 HydrophobicContact CZ-CZ 3.69Å; I396-F400 HydrophobicContact CG2-CD2 3.77Å; I396-F400 HydrophobicContact CG2-CE2 3.51Å; I396-F400 VanDerWaalsContact O-CD2 3.25Å; I396-F400 WeakPolarHBondContact O-CD2 3.38Å; I396-F400 PolarHBondContact O-N 3.04Å; F397-F400 PolarHBondContact O-N 3.12Å; H398-F400 VanDerWaalsContact C-N 3.35Å; F400-Y402 VanDerWaalsContact C-N 3.32Å; F400-Y402 PolarHBondContact O-N 2.72Å; F400-V403 PolarHBondContact O-N 2.87Å; F400-Q404 VanDerWaalsContact O-CB 3.29Å; F400-Q404 WeakPolarHBondContact O-CB 3.28Å; F400-Q404 PolarHBondContact O-N 2.95Å; F400-P478 HydrophobicContact CD1-CG 4.11Å; F400-P478 HydrophobicContact CD2-CG 4.16Å; F400-P478 HydrophobicContact CE1-CG 3.93Å; F400-P478 HydrophobicContact CE2-CB 4.34Å; F400-P478 HydrophobicContact CE2-CG 3.95Å; F400-P478 HydrophobicContact CG-CG 4.23Å; F400-P478 HydrophobicContact CZ-CB 4.22Å; F400-P478 HydrophobicContact CZ-CG 3.84Å; F400-V481 HydrophobicContact CZ-CB 4.36Å; F400-V481 HydrophobicContact CZ-CG2 4.17Å; F400-W518 HydrophobicContact CD2-CB 3.64Å; F400-W518 HydrophobicContact CD2-CD2 4.34Å; F400-W518 AromaticContact CD2-CG 3.92Å; F400-W518 HydrophobicContact CD2-CG 3.92Å; F400-W518 HydrophobicContact CE2-CB 4.03Å; F400-W518 HydrophobicContact CE2-CD2 4.17Å; F400-W518 HydrophobicContact CE2-CE3 4Å; F400-W518 HydrophobicContact CE2-CG 4.19Å; F400-W518 HydrophobicContact CG-CB 4.38Å; F400-A521 HydrophobicContact CB-CB 3.98Å
401	Q	98.6	Very high	98.4	Very high	9 Å²	9	32.7 Å²	32.7	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-59.8	-40.8	169.5	-72.3	-171.9	-42.3	0	0	111.6	F397 H398 Q404 K405 A521 D522 N524 F527	F397-Q401 HydrophobicContact CD1-CG 4.01Å; F397-Q401 VanDerWaalsContact CE1-CD 3.42Å; F397-Q401 HydrophobicContact CE1-CG 3.78Å; F397-Q401 VanDerWaalsContact CE1-NE2 3.26Å; F397-Q401 HydrophobicContact CZ-CG 4.27Å; F397-Q401 WeakPolarHBondContact O-CG 3.36Å; F397-Q401 PolarHBondContact O-N 2.89Å; H398-Q401 PolarHBondContact CD2-OE1 3.11Å; H398-Q401 PolarHBondContact O-N 3.23Å; Q401-Q404 PolarHBondContact O-N 3.42Å; Q401-K405 PolarHBondContact O-N 3.47Å; Q401-A521 HydrophobicContact CG-CB 3.94Å; Q401-D522 VanDerWaalsContact CG-O 3.31Å; Q401-D522 WeakPolarHBondContact CG-O 3.37Å; Q401-D522 PolarHBondContact NE2-OD1 3.1Å; Q401-N524 HydrophobicContact CB-CB 4.39Å; Q401-N524 PolarHBondContact OE1-ND2 2.99Å; Q401-F527 HydrophobicContact CB-CD2 4.12Å; Q401-F527 HydrophobicContact CB-CE2 3.84Å
402	Y	98.8	Very high	98.4	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-68.4	-43.7	176	-167	-93.4	0	0	0	112	L342 I343 L351 H398 M399 F400 Q404 K405 L406 F527	L342-Y402 VanDerWaalsContact O-CE1 3.25Å; L342-Y402 WeakPolarHBondContact O-CE1 3.42Å; L342-Y402 PolarHBondContact O-OH 3.13Å; I343-Y402 HydrophobicContact CG1-CD1 4.22Å; I343-Y402 HydrophobicContact CG1-CE1 4.2Å; L351-Y402 HydrophobicContact CB-CD1 4.29Å; L351-Y402 HydrophobicContact CB-CD2 4.03Å; L351-Y402 HydrophobicContact CB-CE2 4.48Å; L351-Y402 HydrophobicContact CB-CG 3.93Å; H398-Y402 PolarHBondContact O-N 3.01Å; M399-Y402 PolarHBondContact O-N 3.31Å; F400-Y402 VanDerWaalsContact C-N 3.32Å; F400-Y402 PolarHBondContact O-N 2.72Å; Y402-Q404 VanDerWaalsContact C-N 3.27Å; Y402-Q404 PolarHBondContact O-N 2.72Å; Y402-K405 WeakPolarHBondContact O-CB 3.09Å; Y402-K405 PolarHBondContact O-N 3.46Å; Y402-K405 VanDerWaalsContact O-N 3.16Å; Y402-L406 HydrophobicContact CD1-CD1 4.42Å; Y402-L406 HydrophobicContact CD1-CG 4.34Å; Y402-L406 HydrophobicContact CE1-CD1 4.21Å; Y402-L406 HydrophobicContact CE1-CD2 4.09Å; Y402-L406 HydrophobicContact CE1-CG 4.19Å; Y402-L406 PolarHBondContact O-N 2.71Å; Y402-F527 HydrophobicContact CD2-CB 3.83Å; Y402-F527 AromaticContact CD2-CD1 3.68Å; Y402-F527 HydrophobicContact CD2-CD1 3.68Å; Y402-F527 HydrophobicContact CD2-CD2 4.25Å; Y402-F527 HydrophobicContact CD2-CE1 4.29Å; Y402-F527 AromaticContact CD2-CG 3.67Å; Y402-F527 HydrophobicContact CD2-CG 3.67Å; Y402-F527 HydrophobicContact CE2-CB 4.32Å; Y402-F527 HydrophobicContact CE2-CD1 4.35Å; Y402-F527 HydrophobicContact CE2-CG 4.49Å
403	V	98.6	Very high	98.3	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-38.6	172.8	168.5	0	0	0	0	111.4	I343 M399 F400 L406 R407 L473 L476	I343-V403 HydrophobicContact CD1-CG2 4.17Å; M399-V403 WeakPolarHBondContact O-CG2 3.43Å; M399-V403 PolarHBondContact O-N 2.9Å; F400-V403 PolarHBondContact O-N 2.87Å; V403-L406 WeakPolarHBondContact O-CB 3.36Å; V403-L406 PolarHBondContact O-N 3.28Å; V403-R407 PolarHBondContact O-N 2.85Å; V403-L473 HydrophobicContact CG1-CD1 3.86Å; V403-L476 HydrophobicContact CG1-CB 4.07Å; V403-L476 HydrophobicContact CG2-CB 4.47Å
404	Q	98.2	Very high	98.3	Very high	59 Å²	59	35.2 Å²	35.2	28%	0.276	17%	0.174	S	C	.	.	H	α-helix	trans	-70	-35.2	176.2	-174.4	53.2	35.5	0	0	112.3	F400 Q401 Y402 L406 R407 T408 L523	F400-Q404 VanDerWaalsContact O-CB 3.29Å; F400-Q404 WeakPolarHBondContact O-CB 3.28Å; F400-Q404 PolarHBondContact O-N 2.95Å; Q401-Q404 PolarHBondContact O-N 3.42Å; Y402-Q404 VanDerWaalsContact C-N 3.27Å; Y402-Q404 PolarHBondContact O-N 2.72Å; Q404-L406 VanDerWaalsContact C-N 3.34Å; Q404-L406 PolarHBondContact O-N 3.14Å; Q404-R407 PolarHBondContact O-N 2.87Å; Q404-T408 PolarHBondContact NE2-OG1 3.22Å; Q404-T408 PolarHBondContact O-N 2.92Å; Q404-T408 PolarHBondContact O-OG1 2.91Å; Q404-L523 HydrophobicContact CG-CD2 4.39Å
405	K	98.1	Very high	98.3	Very high	42 Å²	42	32.1 Å²	32.1	18%	0.183	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-44.1	168.7	175.9	60.9	174.6	178.2	0	111.4	Q401 Y402 R407 T408 E409 L523 F527	Q401-K405 PolarHBondContact O-N 3.47Å; Y402-K405 WeakPolarHBondContact O-CB 3.09Å; Y402-K405 PolarHBondContact O-N 3.46Å; Y402-K405 VanDerWaalsContact O-N 3.16Å; K405-R407 VanDerWaalsContact C-N 3.35Å; K405-R407 PolarHBondContact O-N 3.5Å; K405-T408 PolarHBondContact O-N 2.82Å; K405-E409 HydrophobicContact CD-CG 4.1Å; K405-E409 WeakPolarHBondContact CE-OE1 3.37Å; K405-E409 IonicContact NZ-OE1 2.63Å; K405-E409 PolarHBondContact NZ-OE1 3.32Å; K405-E409 PolarHBondContact O-N 2.88Å; K405-E409 VanDerWaalsContact O-N 3.1Å; K405-L523 HydrophobicContact CB-CD2 4.32Å; K405-L523 HydrophobicContact CD-CD2 4.44Å; K405-F527 WeakPolarHBondContact CE-O 3.13Å; K405-F527 HydrophobicContact CG-CB 4.39Å
406	L	98.4	Very high	98.2	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.042	16%	0.158	C	C	.	.	H	α-helix	trans	-61.3	-40.7	174.3	-60.1	-172.7	0	0	0	112.1	L339 L342 I343 Y402 V403 Q404 T408 G410 L473 L529	L339-L406 HydrophobicContact CD2-CD1 4.16Å; L342-L406 HydrophobicContact CB-CD1 4.32Å; L342-L406 HydrophobicContact CB-CD2 4.3Å; L342-L406 HydrophobicContact CD1-CD2 4.18Å; I343-L406 HydrophobicContact CD1-CD1 4.08Å; I343-L406 HydrophobicContact CG1-CD1 3.72Å; Y402-L406 HydrophobicContact CD1-CD1 4.42Å; Y402-L406 HydrophobicContact CD1-CG 4.34Å; Y402-L406 HydrophobicContact CE1-CD1 4.21Å; Y402-L406 HydrophobicContact CE1-CD2 4.09Å; Y402-L406 HydrophobicContact CE1-CG 4.19Å; Y402-L406 PolarHBondContact O-N 2.71Å; V403-L406 WeakPolarHBondContact O-CB 3.36Å; V403-L406 PolarHBondContact O-N 3.28Å; Q404-L406 VanDerWaalsContact C-N 3.34Å; Q404-L406 PolarHBondContact O-N 3.14Å; L406-T408 VanDerWaalsContact C-N 3.32Å; L406-T408 PolarHBondContact O-N 3.48Å; L406-G410 PolarHBondContact O-N 3.17Å; L406-L473 HydrophobicContact CB-CD1 4.2Å; L406-L473 HydrophobicContact CB-CD2 4.04Å; L406-L473 HydrophobicContact CD1-CD1 4.42Å; L406-L529 HydrophobicContact CD2-CD2 3.47Å; L406-L529 VanDerWaalsContact CD2-CD2 3.47Å
407	R	97.6	Very high	98.1	Very high	60 Å²	60	35.7 Å²	35.7	23%	0.226	18%	0.177	C	C	.	.	H	α-helix	trans	-65.4	-32	175.9	-70.8	-175.8	-171.7	119.1	9.3	113.6	V403 Q404 K405 L473 L476	V403-R407 PolarHBondContact O-N 2.85Å; Q404-R407 PolarHBondContact O-N 2.87Å; K405-R407 VanDerWaalsContact C-N 3.35Å; K405-R407 PolarHBondContact O-N 3.5Å; R407-L473 HydrophobicContact CB-CD2 4.42Å; R407-L473 HydrophobicContact CG-CD1 4.44Å; R407-L473 HydrophobicContact CG-CD2 3.64Å; R407-L473 HydrophobicContact CG-CG 3.77Å; R407-L473 PolarHBondContact NE-O 2.98Å; R407-L473 PolarHBondContact NH2-O 3.25Å; R407-L476 PolarHBondContact NH2-O 3.02Å
408	T	97.5	Very high	98	Very high	76 Å²	76	35.1 Å²	35.1	47%	0.466	18%	0.175	S	C	.	.	H	α-helix	trans	-80.8	-35.1	-178.8	-66	0	0	0	0	113.2	Q404 K405 L406 L523	Q404-T408 PolarHBondContact NE2-OG1 3.22Å; Q404-T408 PolarHBondContact O-N 2.92Å; Q404-T408 PolarHBondContact O-OG1 2.91Å; K405-T408 PolarHBondContact O-N 2.82Å; L406-T408 VanDerWaalsContact C-N 3.32Å; L406-T408 PolarHBondContact O-N 3.48Å; T408-L523 HydrophobicContact CG2-CD1 3.93Å
409	E	97.4	Very high	97.9	Very high	88 Å²	88	34.8 Å²	34.8	41%	0.411	17%	0.174	S	C	.	.	H	α-helix	trans	-78.9	-28.6	174	-58.7	-61.8	140.8	0	0	112.5	K405 Q412 L529	K405-E409 HydrophobicContact CD-CG 4.1Å; K405-E409 WeakPolarHBondContact CE-OE1 3.37Å; K405-E409 IonicContact NZ-OE1 2.63Å; K405-E409 PolarHBondContact NZ-OE1 3.32Å; K405-E409 PolarHBondContact O-N 2.88Å; K405-E409 VanDerWaalsContact O-N 3.1Å; E409-Q412 PolarHBondContact O-NE2 3.22Å; E409-Q412 VanDerWaalsContact O-NE2 3.08Å; E409-L529 HydrophobicContact CB-CD1 3.94Å; E409-L529 HydrophobicContact CG-CD1 3.99Å; E409-L529 HydrophobicContact CG-CG 4.28Å
410	G	97.9	Very high	97.7	Very high	23 Å²	23	37.6 Å²	37.6	24%	0.237	19%	0.186	C	C	.	.			trans	74	174.2	-175.2	0	0	0	0	0	113.7	L406 Q412	L406-G410 PolarHBondContact O-N 3.17Å; G410-Q412 PolarHBondContact O-N 2.74Å; G410-Q412 PolarHBondContact O-NE2 3.22Å
411	P	98.5	Very high	97.5	Very high	25 Å²	25	41.2 Å²	41.2	16%	0.162	21%	0.205	C	C	.	.			trans	-61.1	132.6	179.7	-23.2	34.8	0	0	0	112.6	F464 P466 I469 E470	P411-F464 HydrophobicContact CB-CE2 4.24Å; P411-F464 HydrophobicContact CB-CZ 3.85Å; P411-P466 HydrophobicContact CB-CB 3.73Å; P411-P466 HydrophobicContact CG-CB 3.74Å; P411-I469 HydrophobicContact CB-CB 4.3Å; P411-I469 HydrophobicContact CB-CD1 4.08Å; P411-I469 HydrophobicContact CB-CG2 4.11Å; P411-I469 HydrophobicContact CG-CB 4.09Å; P411-I469 HydrophobicContact CG-CG2 3.91Å; P411-E470 WeakPolarHBondContact CD-OE1 3.39Å; P411-E470 HydrophobicContact CG-CG 3.84Å
412	Q	98.3	Very high	97.3	Very high	43 Å²	43	42 Å²	42	20%	0.201	21%	0.21	C	C	.	.			trans	-106.2	109.4	-175.8	-58.3	-61.7	-61	0	0	110.6	Y338 E409 G410 W414 V415 F416 L529	Y338-Q412 WeakPolarHBondContact OH-CB 3.43Å; Y338-Q412 PolarHBondContact OH-N 2.91Å; E409-Q412 PolarHBondContact O-NE2 3.22Å; E409-Q412 VanDerWaalsContact O-NE2 3.08Å; G410-Q412 PolarHBondContact O-N 2.74Å; G410-Q412 PolarHBondContact O-NE2 3.22Å; Q412-W414 VanDerWaalsContact C-N 3.25Å; Q412-W414 PolarHBondContact O-N 2.98Å; Q412-V415 HydrophobicContact CB-CB 4.16Å; Q412-V415 HydrophobicContact CB-CG2 3.76Å; Q412-V415 HydrophobicContact CG-CG2 4.44Å; Q412-V415 PolarHBondContact O-N 2.9Å; Q412-V415 VanDerWaalsContact O-N 3.15Å; Q412-F416 PolarHBondContact O-N 2.94Å; Q412-L529 HydrophobicContact CG-CD1 3.69Å
413	E	98.1	Very high	97.2	Very high	119 Å²	119	43.3 Å²	43.3	56%	0.556	22%	0.219	S	C	*	.	H	α-helix	trans	-56.4	-40	178.2	-171.1	168.4	-142.4	0	0	111.9	V415 F416 D417 F464	E413-V415 VanDerWaalsContact C-N 3.29Å; E413-V415 PolarHBondContact O-N 2.94Å; E413-F416 WeakPolarHBondContact O-CB 3.02Å; E413-F416 PolarHBondContact O-N 3.44Å; E413-F416 VanDerWaalsContact O-N 3.13Å; E413-D417 PolarHBondContact O-N 3.28Å; E413-F464 HydrophobicContact CB-CD1 3.87Å; E413-F464 HydrophobicContact CB-CE1 3.62Å; E413-F464 HydrophobicContact CB-CG 4.48Å; E413-F464 HydrophobicContact CB-CZ 4Å; E413-F464 HydrophobicContact CG-CD1 3.75Å; E413-F464 HydrophobicContact CG-CE1 4.04Å; E413-F464 HydrophobicContact CG-CG 4.21Å
414	W	97.3	Very high	97.1	Very high	62 Å²	62	48.9 Å²	48.9	24%	0.235	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-27.4	-179.3	75	-94.9	0	0	0	114.2	Q412 E418 P530 R532	Q412-W414 VanDerWaalsContact C-N 3.25Å; Q412-W414 PolarHBondContact O-N 2.98Å; W414-E418 WeakPolarHBondContact O-CB 3.47Å; W414-E418 PolarHBondContact O-N 2.79Å; W414-E418 VanDerWaalsContact O-N 3.1Å; W414-P530 VanDerWaalsContact CH2-O 3.32Å; W414-P530 WeakPolarHBondContact CH2-O 3.35Å; W414-R532 HydrophobicContact CE3-CG 3.72Å; W414-R532 HydrophobicContact CH2-CG 4.46Å; W414-R532 HydrophobicContact CZ3-CB 4.45Å; W414-R532 HydrophobicContact CZ3-CG 3.65Å
415	V	97.6	Very high	97	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-74	-41.8	174.4	173.9	0	0	0	0	109.6	Y338 L342 Q412 E413 E418 C419	Y338-V415 HydrophobicContact CD2-CG1 4.28Å; Y338-V415 HydrophobicContact CE2-CB 3.85Å; Y338-V415 HydrophobicContact CE2-CG1 3.77Å; L342-V415 HydrophobicContact CD2-CG1 4.16Å; L342-V415 HydrophobicContact CG-CG1 4.38Å; Q412-V415 HydrophobicContact CB-CB 4.16Å; Q412-V415 HydrophobicContact CB-CG2 3.76Å; Q412-V415 HydrophobicContact CG-CG2 4.44Å; Q412-V415 PolarHBondContact O-N 2.9Å; Q412-V415 VanDerWaalsContact O-N 3.15Å; E413-V415 VanDerWaalsContact C-N 3.29Å; E413-V415 PolarHBondContact O-N 2.94Å; V415-E418 PolarHBondContact O-N 3.5Å; V415-C419 PolarHBondContact O-N 2.81Å; V415-C419 PolarHBondContact O-SG 3.17Å; V415-C419 VanDerWaalsContact O-SG 3.37Å
416	F	97.9	Very high	97	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.013	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-44.1	175	176	-93.6	0	0	0	111.6	Y338 Q412 E413 E418 C419 K420 L461 D463 F464	Y338-F416 HydrophobicContact CD2-CB 4.22Å; Y338-F416 HydrophobicContact CE2-CB 4.31Å; Q412-F416 PolarHBondContact O-N 2.94Å; E413-F416 WeakPolarHBondContact O-CB 3.02Å; E413-F416 PolarHBondContact O-N 3.44Å; E413-F416 VanDerWaalsContact O-N 3.13Å; F416-E418 VanDerWaalsContact C-N 3.32Å; F416-E418 PolarHBondContact O-N 3.09Å; F416-C419 PolarHBondContact O-N 2.76Å; F416-K420 HydrophobicContact CD1-CD 4.29Å; F416-K420 HydrophobicContact CE1-CD 3.67Å; F416-K420 HydrophobicContact CZ-CD 4.3Å; F416-K420 WeakPolarHBondContact O-CB 3.24Å; F416-K420 PolarHBondContact O-N 3.1Å; F416-L461 HydrophobicContact CD2-CD1 4.43Å; F416-L461 HydrophobicContact CE2-CB 4.02Å; F416-L461 HydrophobicContact CE2-CD1 4.08Å; F416-L461 HydrophobicContact CE2-CG 4.46Å; F416-L461 HydrophobicContact CZ-CB 3.83Å; F416-D463 WeakPolarHBondContact CZ-O 3.46Å; F416-F464 HydrophobicContact CB-CD2 3.58Å; F416-F464 HydrophobicContact CB-CE2 4.04Å; F416-F464 HydrophobicContact CB-CG 4.46Å; F416-F464 HydrophobicContact CD1-CB 3.68Å; F416-F464 HydrophobicContact CD1-CD2 4.02Å; F416-F464 HydrophobicContact CD1-CG 4.23Å; F416-F464 HydrophobicContact CD2-CD2 4.19Å; F416-F464 HydrophobicContact CE1-CB 3.84Å; F416-F464 HydrophobicContact CG-CB 4.19Å; F416-F464 AromaticContact CG-CD2 3.67Å; F416-F464 HydrophobicContact CG-CD2 3.67Å; F416-F464 HydrophobicContact CG-CG 4.34Å; F416-F464 HydrophobicContact CZ-CB 4.5Å
417	D	97	Very high	97	Very high	72 Å²	72	47.1 Å²	47.1	39%	0.385	24%	0.243	S	C	.	.	H	α-helix	trans	-60.5	-39.3	173.9	-79	-24.4	0	0	0	112.2	E413 K420 D421	E413-D417 PolarHBondContact O-N 3.28Å; D417-K420 PolarHBondContact O-N 2.69Å; D417-D421 PolarHBondContact O-N 3.38Å
418	E	95.8	Very high	97	Very high	21 Å²	21	49.4 Å²	49.4	10%	0.098	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-47.8	176.7	-165	167.9	105.3	0	0	111.5	W414 V415 F416 K420 L422 R532 N533 I536	W414-E418 WeakPolarHBondContact O-CB 3.47Å; W414-E418 PolarHBondContact O-N 2.79Å; W414-E418 VanDerWaalsContact O-N 3.1Å; V415-E418 PolarHBondContact O-N 3.5Å; F416-E418 VanDerWaalsContact C-N 3.32Å; F416-E418 PolarHBondContact O-N 3.09Å; E418-K420 VanDerWaalsContact C-N 3.28Å; E418-K420 PolarHBondContact O-N 3.46Å; E418-L422 HydrophobicContact CG-CD1 4.33Å; E418-L422 VanDerWaalsContact O-CB 3.29Å; E418-L422 WeakPolarHBondContact O-CB 3.49Å; E418-L422 VanDerWaalsContact O-CG 3.23Å; E418-L422 WeakPolarHBondContact O-CG 3.49Å; E418-L422 PolarHBondContact O-N 3.26Å; E418-R532 WeakPolarHBondContact OE2-CA 3.18Å; E418-N533 WeakPolarHBondContact OE1-CB 3.2Å; E418-N533 PolarHBondContact OE1-N 3.03Å; E418-N533 PolarHBondContact OE2-N 2.92Å; E418-I536 HydrophobicContact CG-CD1 3.69Å
419	C	96.1	Very high	97	Very high	8 Å²	8	46 Å²	46	5%	0.054	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-36.6	172.8	-65.3	0	0	0	0	112.9	V415 F416 S423 L461	V415-C419 PolarHBondContact O-N 2.81Å; V415-C419 PolarHBondContact O-SG 3.17Å; V415-C419 VanDerWaalsContact O-SG 3.37Å; F416-C419 PolarHBondContact O-N 2.76Å; C419-S423 WeakPolarHBondContact O-CB 3.46Å; C419-S423 PolarHBondContact O-N 2.69Å; C419-S423 PolarHBondContact O-OG 3.15Å; C419-L461 HydrophobicContact CB-CD1 4.03Å
420	K	95.9	Very high	97	Very high	63 Å²	63	43.6 Å²	43.6	27%	0.274	22%	0.219	S	C	.	.	H	α-helix	trans	-71.1	-47.7	-178.3	174.1	168.9	173.4	-178.7	0	112.3	F416 D417 E418 K424 L461 E462	F416-K420 HydrophobicContact CD1-CD 4.29Å; F416-K420 HydrophobicContact CE1-CD 3.67Å; F416-K420 HydrophobicContact CZ-CD 4.3Å; F416-K420 WeakPolarHBondContact O-CB 3.24Å; F416-K420 PolarHBondContact O-N 3.1Å; D417-K420 PolarHBondContact O-N 2.69Å; E418-K420 VanDerWaalsContact C-N 3.28Å; E418-K420 PolarHBondContact O-N 3.46Å; K420-K424 WeakPolarHBondContact O-CB 3.35Å; K420-K424 PolarHBondContact O-N 2.85Å; K420-L461 HydrophobicContact CB-CB 4.03Å; K420-L461 HydrophobicContact CB-CD1 4.41Å; K420-L461 HydrophobicContact CD-CB 4.39Å; K420-L461 VanDerWaalsContact CD-O 3.31Å; K420-L461 WeakPolarHBondContact CD-O 3.36Å; K420-L461 WeakPolarHBondContact CE-O 3.47Å; K420-L461 HydrophobicContact CG-CB 4.13Å; K420-L461 WeakPolarHBondContact CG-O 3.45Å; K420-E462 PolarHBondContact NZ-O 3.49Å
421	D	94.1	Very high	96.9	Very high	81 Å²	81	44.3 Å²	44.3	43%	0.433	22%	0.217	S	C	.	.	H	α-helix	trans	-69.6	-36.3	175.6	-91.9	-24.2	0	0	0	111.7	D417 K424 V425	D417-D421 PolarHBondContact O-N 3.38Å; D421-K424 PolarHBondContact O-N 3.47Å; D421-K424 WeakPolarHBondContact OD1-CD 3.34Å; D421-K424 IonicContact OD1-NZ 2.7Å; D421-K424 PolarHBondContact OD1-NZ 3.16Å; D421-V425 WeakPolarHBondContact O-CB 3.47Å; D421-V425 VanDerWaalsContact O-CG2 3.3Å; D421-V425 WeakPolarHBondContact O-CG2 3.42Å; D421-V425 PolarHBondContact O-N 3.34Å
422	L	94.9	Very high	96.9	Very high	26 Å²	26	45.5 Å²	45.5	14%	0.136	22%	0.22	C	C	.	.	H	α-helix	trans	-58.8	-51.3	171.8	-78.2	173.9	0	0	0	112.1	E418 K424 V425 A426 I536 A619	E418-L422 HydrophobicContact CG-CD1 4.33Å; E418-L422 VanDerWaalsContact O-CB 3.29Å; E418-L422 WeakPolarHBondContact O-CB 3.49Å; E418-L422 VanDerWaalsContact O-CG 3.23Å; E418-L422 WeakPolarHBondContact O-CG 3.49Å; E418-L422 PolarHBondContact O-N 3.26Å; L422-K424 VanDerWaalsContact C-N 3.33Å; L422-K424 PolarHBondContact O-N 3.33Å; L422-V425 PolarHBondContact O-N 3.45Å; L422-A426 WeakPolarHBondContact O-CB 3.05Å; L422-A426 PolarHBondContact O-N 3.07Å; L422-I536 HydrophobicContact CD2-CG1 4.05Å; L422-I536 HydrophobicContact CD2-CG2 4.37Å; L422-I536 HydrophobicContact CG-CG1 4.47Å; L422-A619 HydrophobicContact CD2-CB 4.4Å
423	S	95.6	Very high	96.9	Very high	29 Å²	29	45.4 Å²	45.4	20%	0.203	22%	0.219	C	C	.	.	H	α-helix	trans	-68.9	-30.3	-178.8	-59.6	0	0	0	0	113.1	C419 A426 F427 Y459	C419-S423 WeakPolarHBondContact O-CB 3.46Å; C419-S423 PolarHBondContact O-N 2.69Å; C419-S423 PolarHBondContact O-OG 3.15Å; S423-A426 PolarHBondContact O-N 2.92Å; S423-F427 WeakPolarHBondContact O-CB 3.39Å; S423-F427 PolarHBondContact O-N 2.96Å; S423-Y459 WeakPolarHBondContact CB-O 3.33Å
424	K	96.3	Very high	96.9	Very high	117 Å²	117	48.7 Å²	48.7	51%	0.509	23%	0.226	S	C	.	.	H	α-helix	trans	-66.8	-41.1	171.1	173	-174.6	167.4	-163.9	0	112.6	K420 D421 L422 R428 L460	K420-K424 WeakPolarHBondContact O-CB 3.35Å; K420-K424 PolarHBondContact O-N 2.85Å; D421-K424 PolarHBondContact O-N 3.47Å; D421-K424 WeakPolarHBondContact OD1-CD 3.34Å; D421-K424 IonicContact OD1-NZ 2.7Å; D421-K424 PolarHBondContact OD1-NZ 3.16Å; L422-K424 VanDerWaalsContact C-N 3.33Å; L422-K424 PolarHBondContact O-N 3.33Å; K424-R428 WeakPolarHBondContact O-CB 3.39Å; K424-R428 PolarHBondContact O-N 3.08Å; K424-L460 HydrophobicContact CB-CD2 4.35Å
425	V	97	Very high	96.9	Very high	25 Å²	25	46.4 Å²	46.4	15%	0.152	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-44.2	171.5	168.8	0	0	0	0	110.4	D421 L422 F427 R428 F429 P537 F540 Y639	D421-V425 WeakPolarHBondContact O-CB 3.47Å; D421-V425 VanDerWaalsContact O-CG2 3.3Å; D421-V425 WeakPolarHBondContact O-CG2 3.42Å; D421-V425 PolarHBondContact O-N 3.34Å; L422-V425 PolarHBondContact O-N 3.45Å; V425-F427 PolarHBondContact O-N 2.86Å; V425-R428 PolarHBondContact O-N 2.83Å; V425-F429 HydrophobicContact CG1-CD2 4Å; V425-F429 HydrophobicContact CG1-CE2 4.42Å; V425-F429 WeakPolarHBondContact O-CD2 3.45Å; V425-F429 PolarHBondContact O-N 3.24Å; V425-P537 HydrophobicContact CG1-CG 4.16Å; V425-F540 HydrophobicContact CB-CZ 4.45Å; V425-F540 HydrophobicContact CG1-CE1 3.67Å; V425-F540 HydrophobicContact CG1-CZ 3.63Å; V425-F540 HydrophobicContact CG2-CE2 4.4Å; V425-F540 HydrophobicContact CG2-CZ 3.85Å; V425-Y639 HydrophobicContact CG1-CE1 4.16Å; V425-Y639 HydrophobicContact CG1-CE2 4.25Å
426	A	97.4	Very high	97	Very high	35 Å²	35	50.2 Å²	50.2	29%	0.289	23%	0.234	S	C	.	.	H	α-helix	trans	-63	-38.6	176.7	0	0	0	0	0	113.5	L422 S423 K430	L422-A426 WeakPolarHBondContact O-CB 3.05Å; L422-A426 PolarHBondContact O-N 3.07Å; S423-A426 PolarHBondContact O-N 2.92Å; A426-K430 WeakPolarHBondContact O-CA 3.37Å; A426-K430 WeakPolarHBondContact O-CB 3.19Å; A426-K430 PolarHBondContact O-N 3.39Å; A426-K430 VanDerWaalsContact O-N 3.12Å
427	F	98.1	Very high	97	Very high	13 Å²	13	52.3 Å²	52.3	6%	0.057	26%	0.256	C	S	.	.	H	α-helix	trans	-66.9	-48.1	173.8	-179.5	-115.4	0	0	0	111.6	S62 S423 V425 K430 L455 A456 Y459 L460	S62-F427 WeakPolarHBondContact CB-O 3.29Å; S423-F427 WeakPolarHBondContact O-CB 3.39Å; S423-F427 PolarHBondContact O-N 2.96Å; V425-F427 PolarHBondContact O-N 2.86Å; F427-K430 WeakPolarHBondContact O-CB 3.36Å; F427-K430 PolarHBondContact O-N 2.86Å; F427-L455 VanDerWaalsContact CE2-O 3.25Å; F427-L455 WeakPolarHBondContact CE2-O 3.29Å; F427-A456 HydrophobicContact CE1-CB 4.24Å; F427-A456 HydrophobicContact CE2-CB 4.09Å; F427-A456 HydrophobicContact CZ-CB 3.74Å; F427-Y459 HydrophobicContact CB-CD1 4.12Å; F427-Y459 HydrophobicContact CB-CG 4.03Å; F427-Y459 AromaticContact CD2-CD2 3.9Å; F427-Y459 HydrophobicContact CD2-CD2 3.9Å; F427-Y459 AromaticContact CD2-CG 3.96Å; F427-Y459 HydrophobicContact CD2-CG 3.96Å; F427-Y459 HydrophobicContact CG-CG 4.4Å; F427-L460 HydrophobicContact CB-CD2 4.17Å; F427-L460 HydrophobicContact CD1-CD1 4.37Å; F427-L460 HydrophobicContact CD1-CD2 3.99Å; F427-L460 HydrophobicContact CD1-CG 4.36Å; F427-L460 HydrophobicContact CE1-CD1 4.38Å; F427-L460 HydrophobicContact CG-CD2 4.25Å
428	R	98.3	Very high	97	Very high	107 Å²	107	49.5 Å²	49.5	40%	0.404	24%	0.24	S	C	.	.	H	α-helix	trans	-57.7	-52.8	178.7	-179.4	177.3	176.4	-163.5	-7	111.1	S62 E64 K424 V425 K430	S62-R428 PolarHBondContact OG-O 3.43Å; E64-R428 HydrophobicContact CG-CG 4.09Å; E64-R428 WeakPolarHBondContact CG-O 3.37Å; E64-R428 IonicContact OE1-CZ 2.62Å; E64-R428 IonicContact OE1-NE 3.77Å; E64-R428 PolarHBondContact OE1-NE 2.95Å; E64-R428 IonicContact OE1-NH2 2.77Å; E64-R428 PolarHBondContact OE1-NH2 3.42Å; K424-R428 WeakPolarHBondContact O-CB 3.39Å; K424-R428 PolarHBondContact O-N 3.08Å; V425-R428 PolarHBondContact O-N 2.83Å; R428-K430 VanDerWaalsContact C-N 3.32Å; R428-K430 PolarHBondContact O-N 3.31Å
429	F	98.1	Very high	97.2	Very high	5 Å²	5	48.5 Å²	48.5	2%	0.022	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	33.3	-175.9	-55.9	-61.5	0	0	0	112.7	E64 V425 F540 L574 P575 K576 Y639	E64-F429 HydrophobicContact CG-CD1 4.07Å; E64-F429 HydrophobicContact CG-CE1 4.25Å; V425-F429 HydrophobicContact CG1-CD2 4Å; V425-F429 HydrophobicContact CG1-CE2 4.42Å; V425-F429 WeakPolarHBondContact O-CD2 3.45Å; V425-F429 PolarHBondContact O-N 3.24Å; F429-F540 AromaticContact CD2-CD1 3.95Å; F429-F540 HydrophobicContact CD2-CD1 3.95Å; F429-F540 HydrophobicContact CD2-CE1 4.05Å; F429-F540 HydrophobicContact CE2-CB 4.04Å; F429-F540 AromaticContact CE2-CD1 3.32Å; F429-F540 HydrophobicContact CE2-CD1 3.32Å; F429-F540 HydrophobicContact CE2-CD2 4.13Å; F429-F540 AromaticContact CE2-CE1 3.66Å; F429-F540 HydrophobicContact CE2-CE1 3.66Å; F429-F540 HydrophobicContact CE2-CE2 4.42Å; F429-F540 AromaticContact CE2-CG 3.57Å; F429-F540 HydrophobicContact CE2-CG 3.57Å; F429-F540 HydrophobicContact CE2-CZ 4.2Å; F429-F540 HydrophobicContact CZ-CB 3.73Å; F429-F540 AromaticContact CZ-CD1 3.92Å; F429-F540 HydrophobicContact CZ-CD1 3.92Å; F429-F540 HydrophobicContact CZ-CD2 4.47Å; F429-F540 AromaticContact CZ-CG 3.8Å; F429-F540 HydrophobicContact CZ-CG 3.8Å; F429-L574 HydrophobicContact CB-CD2 4.44Å; F429-L574 HydrophobicContact CD1-CD2 4.22Å; F429-P575 HydrophobicContact CB-CG 4.47Å; F429-P575 HydrophobicContact CD1-CG 3.68Å; F429-P575 HydrophobicContact CD2-CG 3.93Å; F429-P575 HydrophobicContact CE1-CG 3.75Å; F429-P575 HydrophobicContact CE2-CG 4Å; F429-P575 HydrophobicContact CG-CG 3.75Å; F429-P575 HydrophobicContact CZ-CG 3.89Å; F429-K576 WeakPolarHBondContact O-CE 3.35Å; F429-K576 PolarHBondContact O-NZ 3.44Å; F429-Y639 HydrophobicContact CB-CE1 3.8Å; F429-Y639 AromaticContact CD2-CE1 3.96Å; F429-Y639 HydrophobicContact CD2-CE1 3.96Å; F429-Y639 HydrophobicContact CG-CE1 4.23Å
430	K	97.3	Very high	97.3	Very high	38 Å²	38	48.8 Å²	48.8	17%	0.165	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-62.4	134.9	177.8	-172.7	169.7	58.6	151.8	0	111	A426 F427 R428 K432 E433 Y459	A426-K430 WeakPolarHBondContact O-CA 3.37Å; A426-K430 WeakPolarHBondContact O-CB 3.19Å; A426-K430 PolarHBondContact O-N 3.39Å; A426-K430 VanDerWaalsContact O-N 3.12Å; F427-K430 WeakPolarHBondContact O-CB 3.36Å; F427-K430 PolarHBondContact O-N 2.86Å; R428-K430 VanDerWaalsContact C-N 3.32Å; R428-K430 PolarHBondContact O-N 3.31Å; K430-K432 PolarHBondContact O-N 3.37Å; K430-E433 WeakPolarHBondContact CD-OE1 3.34Å; K430-E433 WeakPolarHBondContact CE-OE1 3.36Å; K430-E433 IonicContact NZ-OE1 3.82Å; K430-E433 PolarHBondContact NZ-OE1 3.49Å; K430-Y459 HydrophobicContact CD-CE1 4.45Å; K430-Y459 HydrophobicContact CD-CE2 4.19Å; K430-Y459 WeakPolarHBondContact CD-OH 3.35Å
431	D	96.4	Very high	97.4	Very high	37 Å²	37	50.4 Å²	50.4	20%	0.198	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-65.8	128.7	173.6	-78.1	15.9	0	0	0	109.9	E433 K576 K904	D431-E433 PolarHBondContact O-N 3.22Å; D431-K576 IonicContact OD1-NZ 3.28Å; D431-K576 PolarHBondContact OD1-NZ 2.97Å; D431-K904 HydrophobicContact CB-CB 3.89Å; D431-K904 HydrophobicContact CB-CD 3.82Å; D431-K904 WeakPolarHBondContact OD2-CD 3.49Å; D431-K904 IonicContact OD2-NZ 3.24Å
432	K	97.9	Very high	97.7	Very high	51 Å²	51	46.7 Å²	46.7	22%	0.222	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-58	122.3	176	176.7	177.1	-179.6	175.1	0	110.8	D85 T87 K430 K903	D85-K432 IonicContact OD1-NZ 2.69Å; D85-K432 PolarHBondContact OD1-NZ 3.01Å; D85-K432 VanDerWaalsContact OD1-NZ 3.09Å; D85-K432 WeakPolarHBondContact OD2-CE 3.41Å; D85-K432 IonicContact OD2-NZ 3.84Å; D85-K432 PolarHBondContact OD2-NZ 2.76Å; T87-K432 PolarHBondContact OG1-NZ 2.99Å; K430-K432 PolarHBondContact O-N 3.37Å; K432-K903 WeakPolarHBondContact CB-O 3.44Å
433	E	97.9	Very high	97.9	Very high	41 Å²	41	45.4 Å²	45.4	19%	0.192	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-75.2	161.2	-169.7	-56.8	90.5	158.4	0	0	113.1	R67 K430 D431 Y438	R67-E433 IonicContact CZ-OE2 2.72Å; R67-E433 IonicContact NH1-OE2 3.96Å; R67-E433 PolarHBondContact NH1-OE2 2.98Å; R67-E433 IonicContact NH2-OE2 3.65Å; R67-E433 PolarHBondContact NH2-OE2 3.21Å; K430-E433 WeakPolarHBondContact CD-OE1 3.34Å; K430-E433 WeakPolarHBondContact CE-OE1 3.36Å; K430-E433 IonicContact NZ-OE1 3.82Å; K430-E433 PolarHBondContact NZ-OE1 3.49Å; D431-E433 PolarHBondContact O-N 3.22Å; E433-Y438 HydrophobicContact CB-CD2 3.94Å; E433-Y438 HydrophobicContact CB-CG 3.89Å; E433-Y438 VanDerWaalsContact CD-CD2 3.47Å; E433-Y438 HydrophobicContact CG-CD2 3.72Å; E433-Y438 HydrophobicContact CG-CE2 4.14Å; E433-Y438 HydrophobicContact CG-CG 4.2Å; E433-Y438 WeakPolarHBondContact OE1-CE2 3.45Å
434	R	97.4	Very high	98	Very high	188 Å²	188	44.6 Å²	44.6	71%	0.709	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-74.6	130.4	167.6	-72	179.8	175.3	148.8	-3.1	109.2	R436 G437 Y438	R434-R436 PolarHBondContact O-N 3.36Å; R434-G437 PolarHBondContact O-N 3.18Å; R434-Y438 PolarHBondContact O-N 3.33Å
435	P	98.4	Very high	98.1	Very high	13 Å²	13	39.9 Å²	39.9	8%	0.084	20%	0.195	C	C	.	.	H	α-helix	trans	-45.9	-51.9	-174.6	-33.3	36.4	0	0	0	114.6	L264 G437 Y438 T439	L264-P435 HydrophobicContact CD1-CB 4.04Å; L264-P435 HydrophobicContact CD1-CG 4.29Å; L264-P435 HydrophobicContact CD2-CB 4.13Å; L264-P435 HydrophobicContact CD2-CG 4.17Å; P435-G437 VanDerWaalsContact C-N 3.32Å; P435-G437 PolarHBondContact O-N 3.05Å; P435-Y438 PolarHBondContact O-N 3.18Å; P435-T439 PolarHBondContact O-N 3.23Å; P435-T439 PolarHBondContact O-OG1 3.19Å; P435-T439 VanDerWaalsContact O-OG1 3.08Å
436	R	98.3	Very high	98.2	Very high	82 Å²	82	38.7 Å²	38.7	31%	0.309	19%	0.187	S	C	.	.	H	α-helix	trans	-54.8	-39.4	-175.9	-152.2	-175.7	80.6	172.7	9.3	115.3	S92 S142 Y155 D157 R434 T439 S440	S92-R436 WeakPolarHBondContact OG-CA 3.31Å; S142-R436 WeakPolarHBondContact OG-CD 3.25Å; S142-R436 PolarHBondContact OG-NH1 3.13Å; Y155-R436 HydrophobicContact CD2-CG 3.97Å; D157-R436 HydrophobicContact CB-CB 3.96Å; D157-R436 HydrophobicContact CB-CG 4.02Å; R434-R436 PolarHBondContact O-N 3.36Å; R436-T439 PolarHBondContact O-OG1 3.36Å; R436-S440 WeakPolarHBondContact O-CB 3.48Å
437	G	98.1	Very high	98.2	Very high	47 Å²	47	38.4 Å²	38.4	49%	0.485	18%	0.18	S	C	.	.	H	α-helix	trans	-84.3	-28.1	179.3	0	0	0	0	0	112.4	R434 P435 K441	R434-G437 PolarHBondContact O-N 3.18Å; P435-G437 VanDerWaalsContact C-N 3.32Å; P435-G437 PolarHBondContact O-N 3.05Å; G437-K441 WeakPolarHBondContact O-CB 3.26Å; G437-K441 PolarHBondContact O-N 3.23Å; G437-K441 VanDerWaalsContact O-N 3.08Å
438	Y	98.7	Very high	98.2	Very high	13 Å²	13	42 Å²	42	5%	0.051	19%	0.194	C	C	.	.	H	α-helix	trans	-74.9	-42.9	-179.6	-165.7	-134.5	0	0	0	111.9	R67 Y69 I83 E433 R434 P435 K441 V442	R67-Y438 VanDerWaalsContact NH1-CE1 3.25Å; Y69-Y438 HydrophobicContact CE1-CE1 4.35Å; Y69-Y438 WeakPolarHBondContact OH-CE1 3.04Å; Y69-Y438 PolarHBondContact OH-OH 2.94Å; Y69-Y438 VanDerWaalsContact OH-OH 3.1Å; I83-Y438 HydrophobicContact CD1-CD1 3.85Å; I83-Y438 HydrophobicContact CD1-CE1 3.83Å; E433-Y438 HydrophobicContact CB-CD2 3.94Å; E433-Y438 HydrophobicContact CB-CG 3.89Å; E433-Y438 VanDerWaalsContact CD-CD2 3.47Å; E433-Y438 HydrophobicContact CG-CD2 3.72Å; E433-Y438 HydrophobicContact CG-CE2 4.14Å; E433-Y438 HydrophobicContact CG-CG 4.2Å; E433-Y438 WeakPolarHBondContact OE1-CE2 3.45Å; R434-Y438 PolarHBondContact O-N 3.33Å; P435-Y438 PolarHBondContact O-N 3.18Å; Y438-K441 PolarHBondContact O-N 3.26Å; Y438-V442 HydrophobicContact CD2-CG2 4.17Å; Y438-V442 HydrophobicContact CE2-CG2 4.06Å; Y438-V442 WeakPolarHBondContact O-CB 3.46Å; Y438-V442 VanDerWaalsContact O-CG2 3.25Å; Y438-V442 WeakPolarHBondContact O-CG2 3.24Å; Y438-V442 PolarHBondContact O-N 2.61Å
439	T	98.9	Very high	98.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.3	-48.9	173.9	50.6	0	0	0	0	111.1	S92 A94 C262 L264 P435 R436 K441 V442 A443	S92-T439 WeakPolarHBondContact OG-CG2 3.21Å; S92-T439 PolarHBondContact OG-OG1 2.9Å; A94-T439 VanDerWaalsContact CB-C 3.43Å; C262-T439 HydrophobicContact CB-CG2 4.37Å; C262-T439 WeakPolarHBondContact CB-O 3.48Å; L264-T439 HydrophobicContact CB-CG2 3.83Å; P435-T439 PolarHBondContact O-N 3.23Å; P435-T439 PolarHBondContact O-OG1 3.19Å; P435-T439 VanDerWaalsContact O-OG1 3.08Å; R436-T439 PolarHBondContact O-OG1 3.36Å; T439-K441 VanDerWaalsContact C-N 3.35Å; T439-K441 PolarHBondContact O-N 3.08Å; T439-V442 PolarHBondContact O-N 2.74Å; T439-A443 VanDerWaalsContact O-CB 3.28Å; T439-A443 WeakPolarHBondContact O-CB 3.39Å; T439-A443 PolarHBondContact O-N 3.37Å
440	S	98.8	Very high	98.1	Very high	14 Å²	14	40.1 Å²	40.1	10%	0.098	19%	0.193	C	C	.	.	H	α-helix	trans	-53.5	-48	175.6	172	0	0	0	0	112.2	A94 N153 Y155 R436	A94-S440 VanDerWaalsContact CB-CA 3.48Å; A94-S440 VanDerWaalsContact CB-N 3.35Å; N153-S440 PolarHBondContact ND2-O 3.47Å; N153-S440 WeakPolarHBondContact OD1-CB 3.37Å; N153-S440 PolarHBondContact OD1-OG 3.19Å; Y155-S440 WeakPolarHBondContact CD1-OG 3.47Å; R436-S440 WeakPolarHBondContact O-CB 3.48Å
441	K	98.6	Very high	98.2	Very high	97 Å²	97	38.6 Å²	38.6	42%	0.422	19%	0.187	S	C	.	.	H	α-helix	trans	-64.4	-52.8	177.1	-171	171.9	-166.2	-170.9	0	112.2	G437 Y438 T439 A443 G444 L445 E458	G437-K441 WeakPolarHBondContact O-CB 3.26Å; G437-K441 PolarHBondContact O-N 3.23Å; G437-K441 VanDerWaalsContact O-N 3.08Å; Y438-K441 PolarHBondContact O-N 3.26Å; T439-K441 VanDerWaalsContact C-N 3.35Å; T439-K441 PolarHBondContact O-N 3.08Å; K441-A443 PolarHBondContact O-N 3.44Å; K441-G444 PolarHBondContact O-N 3.19Å; K441-G444 VanDerWaalsContact O-N 3.15Å; K441-L445 HydrophobicContact CD-CD1 4.41Å; K441-L445 HydrophobicContact CG-CD1 3.98Å; K441-L445 HydrophobicContact CG-CG 4.22Å; K441-L445 WeakPolarHBondContact O-CG 3.41Å; K441-L445 PolarHBondContact O-N 2.9Å; K441-L445 VanDerWaalsContact O-N 3.1Å; K441-E458 VanDerWaalsContact CE-CD 3.49Å; K441-E458 WeakPolarHBondContact CE-OE1 3.35Å; K441-E458 WeakPolarHBondContact CE-OE2 3.48Å; K441-E458 IonicContact NZ-OE1 3.77Å; K441-E458 PolarHBondContact NZ-OE1 2.67Å; K441-E458 IonicContact NZ-OE2 2.61Å; K441-E458 PolarHBondContact NZ-OE2 2.71Å
442	V	98.8	Very high	98.2	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.012	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-33.8	-177.2	170.3	0	0	0	0	111.8	M81 C262 Y438 T439 G444 L445 L446 V454 L455	M81-V442 HydrophobicContact CB-CG1 3.74Å; M81-V442 HydrophobicContact CG-CG1 3.83Å; C262-V442 HydrophobicContact CB-CB 4.2Å; C262-V442 HydrophobicContact CB-CG1 4.08Å; C262-V442 VanDerWaalsContact SG-CG1 3.58Å; Y438-V442 HydrophobicContact CD2-CG2 4.17Å; Y438-V442 HydrophobicContact CE2-CG2 4.06Å; Y438-V442 WeakPolarHBondContact O-CB 3.46Å; Y438-V442 VanDerWaalsContact O-CG2 3.25Å; Y438-V442 WeakPolarHBondContact O-CG2 3.24Å; Y438-V442 PolarHBondContact O-N 2.61Å; T439-V442 PolarHBondContact O-N 2.74Å; V442-G444 PolarHBondContact O-N 3.41Å; V442-L445 PolarHBondContact O-N 2.85Å; V442-L446 WeakPolarHBondContact O-CG 3.41Å; V442-L446 PolarHBondContact O-N 3.13Å; V442-L446 VanDerWaalsContact O-N 3.12Å; V442-V454 HydrophobicContact CG1-CG1 4.1Å; V442-L455 HydrophobicContact CG2-CD2 3.99Å
443	A	98.8	Very high	98.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57	-46	174.5	0	0	0	0	0	112.4	A94 D96 G260 C262 T439 K441	A94-A443 HydrophobicContact CB-CB 4.06Å; D96-A443 HydrophobicContact CB-CB 3.83Å; G260-A443 WeakPolarHBondContact O-CB 3.47Å; C262-A443 HydrophobicContact CB-CB 4.27Å; T439-A443 VanDerWaalsContact O-CB 3.28Å; T439-A443 WeakPolarHBondContact O-CB 3.39Å; T439-A443 PolarHBondContact O-N 3.37Å; K441-A443 PolarHBondContact O-N 3.44Å
444	G	98.4	Very high	98.3	Very high	12 Å²	12	37 Å²	37	12%	0.124	18%	0.179	C	C	.	.	H	α-helix	trans	-69.1	-41.6	174.9	0	0	0	0	0	113.3	K441 V442 L446 H447	K441-G444 PolarHBondContact O-N 3.19Å; K441-G444 VanDerWaalsContact O-N 3.15Å; V442-G444 PolarHBondContact O-N 3.41Å; G444-L446 PolarHBondContact O-N 2.81Å; G444-H447 WeakPolarHBondContact O-CB 3.43Å; G444-H447 PolarHBondContact O-CD2 2.71Å; G444-H447 VanDerWaalsContact O-CD2 3.25Å; G444-H447 PolarHBondContact O-N 2.61Å; G444-H447 VanDerWaalsContact O-N 3.12Å
445	L	98.4	Very high	98.3	Very high	18 Å²	18	28.3 Å²	28.3	9%	0.094	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-27.6	-179.4	-62.5	176.6	0	0	0	113.4	K441 V442 H447 Y448 Y449 V454 E458	K441-L445 HydrophobicContact CD-CD1 4.41Å; K441-L445 HydrophobicContact CG-CD1 3.98Å; K441-L445 HydrophobicContact CG-CG 4.22Å; K441-L445 WeakPolarHBondContact O-CG 3.41Å; K441-L445 PolarHBondContact O-N 2.9Å; K441-L445 VanDerWaalsContact O-N 3.1Å; V442-L445 PolarHBondContact O-N 2.85Å; L445-H447 PolarHBondContact O-N 2.67Å; L445-H447 VanDerWaalsContact O-N 3.14Å; L445-Y448 PolarHBondContact O-N 2.96Å; L445-Y449 HydrophobicContact CB-CD2 4.22Å; L445-Y449 HydrophobicContact CB-CE2 4.48Å; L445-Y449 HydrophobicContact CD2-CD2 4.44Å; L445-Y449 HydrophobicContact CD2-CE2 3.85Å; L445-Y449 WeakPolarHBondContact O-CD2 3.37Å; L445-Y449 PolarHBondContact O-N 2.86Å; L445-V454 HydrophobicContact CB-CG1 3.7Å; L445-E458 HydrophobicContact CD2-CG 3.96Å; L445-E458 WeakPolarHBondContact CD2-OE1 3.26Å
446	L	98.5	Very high	98.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-56.5	-27	175	-77.6	164.2	0	0	0	112.9	K79 M81 L261 V442 G444 L451 V454	K79-L446 HydrophobicContact CB-CB 4.24Å; K79-L446 HydrophobicContact CB-CD2 4.3Å; K79-L446 HydrophobicContact CD-CB 4.38Å; K79-L446 WeakPolarHBondContact CD-O 3.31Å; K79-L446 WeakPolarHBondContact CE-O 3.49Å; K79-L446 PolarHBondContact NZ-O 2.82Å; M81-L446 HydrophobicContact CB-CD1 4.19Å; M81-L446 HydrophobicContact CB-CD2 4.31Å; L261-L446 WeakPolarHBondContact O-CD1 3.46Å; V442-L446 WeakPolarHBondContact O-CG 3.41Å; V442-L446 PolarHBondContact O-N 3.13Å; V442-L446 VanDerWaalsContact O-N 3.12Å; G444-L446 PolarHBondContact O-N 2.81Å; L446-L451 HydrophobicContact CD2-CD2 3.41Å; L446-L451 VanDerWaalsContact CD2-CD2 3.41Å; L446-V454 HydrophobicContact CD2-CG2 3.97Å
447	H	98.2	Very high	98.1	Very high	28 Å²	28	24.4 Å²	24.4	13%	0.13	13%	0.133	C	C	.	.	H	α-helix	trans	-66.3	-44.5	178.6	-67.2	-54.7	0	0	0	112.8	K79 D96 H98 H151 L258 G260 G444 L445	K79-H447 PolarHBondContact NZ-O 3.39Å; D96-H447 PolarHBondContact O-NE2 2.82Å; D96-H447 IonicContact OD1-CD2 2.75Å; D96-H447 PolarHBondContact OD1-CD2 3.05Å; D96-H447 VanDerWaalsContact OD1-CD2 3.24Å; D96-H447 IonicContact OD1-CE1 3.21Å; D96-H447 IonicContact OD1-NE2 2.94Å; D96-H447 PolarHBondContact OD1-NE2 3.35Å; H98-H447 VanDerWaalsContact ND1-CB 3.33Å; H98-H447 WeakPolarHBondContact ND1-CB 3.31Å; H98-H447 AromaticContact ND1-CD2 3.67Å; H98-H447 AromaticContact ND1-CG 3.19Å; H98-H447 AromaticContact ND1-ND1 3.47Å; H98-H447 PolarHBondContact ND1-ND1 3.44Å; H151-H447 AromaticContact CE1-CD2 3.4Å; H151-H447 PolarHBondContact CE1-CD2 3.19Å; H151-H447 AromaticContact ND1-CD2 3.63Å; H151-H447 AromaticContact ND1-NE2 3.96Å; L258-H447 PolarHBondContact O-CE1 3.11Å; L258-H447 VanDerWaalsContact O-CE1 3.26Å; G260-H447 PolarHBondContact N-CE1 3.08Å; G444-H447 WeakPolarHBondContact O-CB 3.43Å; G444-H447 PolarHBondContact O-CD2 2.71Å; G444-H447 VanDerWaalsContact O-CD2 3.25Å; G444-H447 PolarHBondContact O-N 2.61Å; G444-H447 VanDerWaalsContact O-N 3.12Å; L445-H447 PolarHBondContact O-N 2.67Å; L445-H447 VanDerWaalsContact O-N 3.14Å
448	Y	97.7	Very high	97.9	Very high	90 Å²	90	26 Å²	26	35%	0.353	13%	0.128	S	C	.	.	H	α-helix	trans	-89.8	-27.1	-166.7	-62.3	-76.1	0	0	0	114.6	H151 Q328 L445	H151-Y448 AromaticContact NE2-CE2 3.83Å; H151-Y448 AromaticContact NE2-CZ 3.65Å; H151-Y448 PolarHBondContact NE2-OH 2.88Å; Q328-Y448 HydrophobicContact CG-CD1 3.8Å; Q328-Y448 HydrophobicContact CG-CE1 4.27Å; L445-Y448 PolarHBondContact O-N 2.96Å
449	Y	97.9	Very high	97.7	Very high	19 Å²	19	28.6 Å²	28.6	8%	0.075	14%	0.138	C	C	.	.	S	Bend	trans	-120	156.5	-169.5	-53.7	-65.9	0	0	0	113.3	Q328 Y331 L445 A457 E458	Q328-Y449 VanDerWaalsContact NE2-CZ 3.26Å; Q328-Y449 PolarHBondContact NE2-OH 3.28Å; Y331-Y449 HydrophobicContact CD1-CD1 4.34Å; Y331-Y449 AromaticContact CD1-CE1 3.94Å; Y331-Y449 HydrophobicContact CD1-CE1 3.94Å; Y331-Y449 HydrophobicContact CD2-CD1 4.1Å; Y331-Y449 AromaticContact CD2-CE1 3.67Å; Y331-Y449 HydrophobicContact CD2-CE1 3.67Å; Y331-Y449 HydrophobicContact CE1-CD1 4.16Å; Y331-Y449 HydrophobicContact CE1-CE1 4.23Å; Y331-Y449 AromaticContact CE2-CD1 3.9Å; Y331-Y449 HydrophobicContact CE2-CD1 3.9Å; Y331-Y449 AromaticContact CE2-CE1 3.97Å; Y331-Y449 HydrophobicContact CE2-CE1 3.97Å; Y331-Y449 HydrophobicContact CG-CD1 4.32Å; Y331-Y449 AromaticContact CG-CE1 3.65Å; Y331-Y449 HydrophobicContact CG-CE1 3.65Å; Y331-Y449 AromaticContact CZ-CD1 3.93Å; L445-Y449 HydrophobicContact CB-CD2 4.22Å; L445-Y449 HydrophobicContact CB-CE2 4.48Å; L445-Y449 HydrophobicContact CD2-CD2 4.44Å; L445-Y449 HydrophobicContact CD2-CE2 3.85Å; L445-Y449 WeakPolarHBondContact O-CD2 3.37Å; L445-Y449 PolarHBondContact O-N 2.86Å; Y449-A457 HydrophobicContact CD1-CB 3.39Å; Y449-A457 HydrophobicContact CD2-CB 3.98Å; Y449-A457 HydrophobicContact CE1-CB 3.58Å; Y449-A457 HydrophobicContact CE2-CB 4.15Å; Y449-A457 HydrophobicContact CG-CB 3.6Å; Y449-E458 HydrophobicContact CE2-CG 4.45Å
450	P	97.6	Very high	97.6	Very high	52 Å²	52	30.8 Å²	30.8	34%	0.338	15%	0.15	S	C	.	.			trans	-56.6	145	163.9	-22.6	34.6	0	0	0	110.9	E452 E453 V454	P450-E452 PolarHBondContact O-N 3Å; P450-E452 VanDerWaalsContact O-N 3.14Å; P450-E453 HydrophobicContact CB-CG 4.4Å; P450-E453 HydrophobicContact CG-CG 4.5Å; P450-E453 PolarHBondContact O-N 3.18Å; P450-V454 VanDerWaalsContact O-CG2 3.27Å; P450-V454 WeakPolarHBondContact O-CG2 3.48Å; P450-V454 PolarHBondContact O-N 2.76Å
451	L	98	Very high	97.5	Very high	6 Å²	6	30.9 Å²	30.9	3%	0.031	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-38.3	-178.9	-63.2	179.5	0	0	0	111.7	V56 I59 E73 K79 M81 L446 E453	V56-L451 HydrophobicContact CB-CB 4.37Å; V56-L451 HydrophobicContact CB-CD1 4.5Å; V56-L451 HydrophobicContact CG2-CB 4.14Å; V56-L451 HydrophobicContact CG2-CD1 3.8Å; I59-L451 WeakPolarHBondContact CD1-O 3.49Å; E73-L451 HydrophobicContact CB-CD1 4.39Å; K79-L451 HydrophobicContact CB-CD2 4.31Å; M81-L451 WeakPolarHBondContact CE-O 3.34Å; L446-L451 HydrophobicContact CD2-CD2 3.41Å; L446-L451 VanDerWaalsContact CD2-CD2 3.41Å; L451-E453 VanDerWaalsContact C-N 3.29Å; L451-E453 PolarHBondContact O-N 2.92Å
452	E	98	Very high	97.3	Very high	54 Å²	54	30.2 Å²	30.2	25%	0.252	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-38	175.5	-64.6	75.1	-176	0	0	113.2	R54 V56 I60 P450	R54-E452 IonicContact CZ-OE1 2.71Å; R54-E452 IonicContact NH1-OE1 2.75Å; R54-E452 PolarHBondContact NH1-OE1 3.43Å; R54-E452 IonicContact NH1-OE2 3.23Å; R54-E452 IonicContact NH2-OE1 2.89Å; R54-E452 PolarHBondContact NH2-OE1 2.91Å; R54-E452 IonicContact NH2-OE2 3.95Å; R54-E452 PolarHBondContact NH2-OE2 2.88Å; V56-E452 HydrophobicContact CG1-CG 3.7Å; V56-E452 WeakPolarHBondContact CG1-OE1 3.29Å; V56-E452 WeakPolarHBondContact CG2-OE1 3.47Å; I60-E452 WeakPolarHBondContact CG1-O 3.35Å; I60-E452 PolarHBondContact N-O 3.44Å; P450-E452 PolarHBondContact O-N 3Å; P450-E452 VanDerWaalsContact O-N 3.14Å
453	E	97.9	Very high	97.1	Very high	41 Å²	41	34 Å²	34	19%	0.192	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-11.1	-167.1	-61.4	-175.6	-128.1	0	0	113.9	I60 Y331 K332 P450 L451 L455 A456 A457	I60-E453 HydrophobicContact CD1-CG 4.22Å; Y331-E453 PolarHBondContact OH-OE2 3.11Å; K332-E453 WeakPolarHBondContact CE-OE2 3.49Å; K332-E453 IonicContact NZ-OE1 3.89Å; K332-E453 IonicContact NZ-OE2 2.77Å; K332-E453 PolarHBondContact NZ-OE2 2.87Å; P450-E453 HydrophobicContact CB-CG 4.4Å; P450-E453 HydrophobicContact CG-CG 4.5Å; P450-E453 PolarHBondContact O-N 3.18Å; L451-E453 VanDerWaalsContact C-N 3.29Å; L451-E453 PolarHBondContact O-N 2.92Å; E453-L455 VanDerWaalsContact C-N 3.27Å; E453-L455 PolarHBondContact O-N 3.34Å; E453-A456 PolarHBondContact O-N 2.71Å; E453-A457 HydrophobicContact CB-CB 4.45Å; E453-A457 WeakPolarHBondContact O-CB 3.19Å; E453-A457 PolarHBondContact O-N 2.69Å
454	V	97.9	Very high	97	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-41.8	-169.7	-180	0	0	0	0	114.7	M81 V442 L445 L446 P450 A456	M81-V454 HydrophobicContact CE-CB 4.22Å; M81-V454 HydrophobicContact CE-CG2 4.26Å; V442-V454 HydrophobicContact CG1-CG1 4.1Å; L445-V454 HydrophobicContact CB-CG1 3.7Å; L446-V454 HydrophobicContact CD2-CG2 3.97Å; P450-V454 VanDerWaalsContact O-CG2 3.27Å; P450-V454 WeakPolarHBondContact O-CG2 3.48Å; P450-V454 PolarHBondContact O-N 2.76Å; V454-A456 VanDerWaalsContact C-N 3.34Å
455	L	97.9	Very high	97	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.037	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-20.2	-175.4	-49.2	-179.2	0	0	0	113.1	I59 R61 Y69 F427 V442 E453	I59-L455 HydrophobicContact CG2-CD1 3.81Å; I59-L455 HydrophobicContact CG2-CG 4.04Å; R61-L455 HydrophobicContact CB-CD1 4.23Å; Y69-L455 HydrophobicContact CD1-CD1 3.78Å; Y69-L455 HydrophobicContact CD2-CD1 4.18Å; Y69-L455 HydrophobicContact CE1-CD1 3.56Å; Y69-L455 HydrophobicContact CE1-CD2 4.22Å; Y69-L455 HydrophobicContact CE2-CD1 3.98Å; Y69-L455 HydrophobicContact CG-CD1 4.09Å; F427-L455 VanDerWaalsContact CE2-O 3.25Å; F427-L455 WeakPolarHBondContact CE2-O 3.29Å; V442-L455 HydrophobicContact CG2-CD2 3.99Å; E453-L455 VanDerWaalsContact C-N 3.27Å; E453-L455 PolarHBondContact O-N 3.34Å
456	A	97.3	Very high	97	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.033	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-25.7	-168.6	0	0	0	0	0	113.5	I60 F427 E453 V454 E458 Y459 L460	I60-A456 HydrophobicContact CB-CB 4.19Å; I60-A456 HydrophobicContact CG2-CB 3.74Å; F427-A456 HydrophobicContact CE1-CB 4.24Å; F427-A456 HydrophobicContact CE2-CB 4.09Å; F427-A456 HydrophobicContact CZ-CB 3.74Å; E453-A456 PolarHBondContact O-N 2.71Å; V454-A456 VanDerWaalsContact C-N 3.34Å; A456-E458 VanDerWaalsContact C-N 3.29Å; A456-E458 PolarHBondContact O-N 3.44Å; A456-Y459 PolarHBondContact O-N 3.1Å; A456-L460 HydrophobicContact CB-CD1 3.92Å; A456-L460 HydrophobicContact CB-CG 4.16Å; A456-L460 PolarHBondContact O-N 2.64Å
457	A	95.8	Very high	97	Very high	9 Å²	9	45.1 Å²	45.1	7%	0.074	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.9	-169.9	0	0	0	0	0	115.5	Y331 Y449 E453 Y459	Y331-A457 HydrophobicContact CD2-CB 3.99Å; Y331-A457 HydrophobicContact CE2-CB 3.83Å; Y449-A457 HydrophobicContact CD1-CB 3.39Å; Y449-A457 HydrophobicContact CD2-CB 3.98Å; Y449-A457 HydrophobicContact CE1-CB 3.58Å; Y449-A457 HydrophobicContact CE2-CB 4.15Å; Y449-A457 HydrophobicContact CG-CB 3.6Å; E453-A457 HydrophobicContact CB-CB 4.45Å; E453-A457 WeakPolarHBondContact O-CB 3.19Å; E453-A457 PolarHBondContact O-N 2.69Å; A457-Y459 VanDerWaalsContact C-N 3.33Å
458	E	94.2	Very high	97.1	Very high	81 Å²	81	44.3 Å²	44.3	38%	0.379	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-13.4	173.1	-64.4	-179.3	120.1	0	0	113.9	K441 L445 Y449 A456	K441-E458 VanDerWaalsContact CE-CD 3.49Å; K441-E458 WeakPolarHBondContact CE-OE1 3.35Å; K441-E458 WeakPolarHBondContact CE-OE2 3.48Å; K441-E458 IonicContact NZ-OE1 3.77Å; K441-E458 PolarHBondContact NZ-OE1 2.67Å; K441-E458 IonicContact NZ-OE2 2.61Å; K441-E458 PolarHBondContact NZ-OE2 2.71Å; L445-E458 HydrophobicContact CD2-CG 3.96Å; L445-E458 WeakPolarHBondContact CD2-OE1 3.26Å; Y449-E458 HydrophobicContact CE2-CG 4.45Å; A456-E458 VanDerWaalsContact C-N 3.29Å; A456-E458 PolarHBondContact O-N 3.44Å
459	Y	95.3	Very high	97.1	Very high	66 Å²	66	40.1 Å²	40.1	26%	0.259	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-46	-175.6	-69.2	-92.2	0	0	0	112.5	S423 F427 K430 A456 A457 L461	S423-Y459 WeakPolarHBondContact CB-O 3.33Å; F427-Y459 HydrophobicContact CB-CD1 4.12Å; F427-Y459 HydrophobicContact CB-CG 4.03Å; F427-Y459 AromaticContact CD2-CD2 3.9Å; F427-Y459 HydrophobicContact CD2-CD2 3.9Å; F427-Y459 AromaticContact CD2-CG 3.96Å; F427-Y459 HydrophobicContact CD2-CG 3.96Å; F427-Y459 HydrophobicContact CG-CG 4.4Å; K430-Y459 HydrophobicContact CD-CE1 4.45Å; K430-Y459 HydrophobicContact CD-CE2 4.19Å; K430-Y459 WeakPolarHBondContact CD-OH 3.35Å; A456-Y459 PolarHBondContact O-N 3.1Å; A457-Y459 VanDerWaalsContact C-N 3.33Å; Y459-L461 PolarHBondContact O-N 2.87Å
460	L	96.3	Very high	97.1	Very high	47 Å²	47	44.4 Å²	44.4	25%	0.246	22%	0.219	C	C	.	.			trans	-86.2	107.4	-168.7	-59.2	-171.1	0	0	0	111.3	K424 F427 A456	K424-L460 HydrophobicContact CB-CD2 4.35Å; F427-L460 HydrophobicContact CB-CD2 4.17Å; F427-L460 HydrophobicContact CD1-CD1 4.37Å; F427-L460 HydrophobicContact CD1-CD2 3.99Å; F427-L460 HydrophobicContact CD1-CG 4.36Å; F427-L460 HydrophobicContact CE1-CD1 4.38Å; F427-L460 HydrophobicContact CG-CD2 4.25Å; A456-L460 HydrophobicContact CB-CD1 3.92Å; A456-L460 HydrophobicContact CB-CG 4.16Å; A456-L460 PolarHBondContact O-N 2.64Å
461	L	96	Very high	97.2	Very high	15 Å²	15	44.5 Å²	44.5	8%	0.079	22%	0.215	C	C	.	.			trans	-79.5	132.5	166	-59.2	177.6	0	0	0	109.6	N334 F416 C419 K420 Y459	N334-L461 HydrophobicContact CB-CD2 3.67Å; F416-L461 HydrophobicContact CD2-CD1 4.43Å; F416-L461 HydrophobicContact CE2-CB 4.02Å; F416-L461 HydrophobicContact CE2-CD1 4.08Å; F416-L461 HydrophobicContact CE2-CG 4.46Å; F416-L461 HydrophobicContact CZ-CB 3.83Å; C419-L461 HydrophobicContact CB-CD1 4.03Å; K420-L461 HydrophobicContact CB-CB 4.03Å; K420-L461 HydrophobicContact CB-CD1 4.41Å; K420-L461 HydrophobicContact CD-CB 4.39Å; K420-L461 VanDerWaalsContact CD-O 3.31Å; K420-L461 WeakPolarHBondContact CD-O 3.36Å; K420-L461 WeakPolarHBondContact CE-O 3.47Å; K420-L461 HydrophobicContact CG-CB 4.13Å; K420-L461 WeakPolarHBondContact CG-O 3.45Å; Y459-L461 PolarHBondContact O-N 2.87Å
462	E	94.1	Very high	97.2	Very high	83 Å²	83	44.2 Å²	44.2	39%	0.388	21%	0.214	S	C	.	.			trans	-112.3	-60	-177.7	-71.2	174.1	-159.8	0	0	110.7	K332 K420	K332-E462 HydrophobicContact CB-CB 4.33Å; K332-E462 VanDerWaalsContact CD-OE2 3.31Å; K332-E462 WeakPolarHBondContact CD-OE2 3.36Å; K332-E462 WeakPolarHBondContact CE-OE2 3.24Å; K332-E462 IonicContact NZ-OE1 3.21Å; K332-E462 PolarHBondContact NZ-OE1 3.09Å; K332-E462 IonicContact NZ-OE2 2.87Å; K332-E462 PolarHBondContact NZ-OE2 2.83Å; K332-E462 PolarHBondContact O-N 3.37Å; K420-E462 PolarHBondContact NZ-O 3.49Å
463	D	94.5	Very high	97.3	Very high	83 Å²	83	42 Å²	42	44%	0.444	20%	0.204	S	C	.	.			trans	-103.8	121.2	-166.5	-65.8	-36.8	0	0	0	112.9	K332 S333 F416 R465	K332-D463 PolarHBondContact O-N 2.72Å; S333-D463 VanDerWaalsContact CA-O 3.31Å; S333-D463 WeakPolarHBondContact CA-O 3.41Å; S333-D463 WeakPolarHBondContact CB-O 3.46Å; F416-D463 WeakPolarHBondContact CZ-O 3.46Å; D463-R465 HydrophobicContact CB-CG 3.99Å; D463-R465 PolarHBondContact O-N 3.21Å
464	F	98.2	Very high	97.3	Very high	49 Å²	49	43 Å²	43	22%	0.215	21%	0.211	C	C	.	.			trans	-73.4	119.5	165.7	179.6	-126.8	0	0	0	109.4	P411 E413 F416 P466 I469	P411-F464 HydrophobicContact CB-CE2 4.24Å; P411-F464 HydrophobicContact CB-CZ 3.85Å; E413-F464 HydrophobicContact CB-CD1 3.87Å; E413-F464 HydrophobicContact CB-CE1 3.62Å; E413-F464 HydrophobicContact CB-CG 4.48Å; E413-F464 HydrophobicContact CB-CZ 4Å; E413-F464 HydrophobicContact CG-CD1 3.75Å; E413-F464 HydrophobicContact CG-CE1 4.04Å; E413-F464 HydrophobicContact CG-CG 4.21Å; F416-F464 HydrophobicContact CB-CD2 3.58Å; F416-F464 HydrophobicContact CB-CE2 4.04Å; F416-F464 HydrophobicContact CB-CG 4.46Å; F416-F464 HydrophobicContact CD1-CB 3.68Å; F416-F464 HydrophobicContact CD1-CD2 4.02Å; F416-F464 HydrophobicContact CD1-CG 4.23Å; F416-F464 HydrophobicContact CD2-CD2 4.19Å; F416-F464 HydrophobicContact CE1-CB 3.84Å; F416-F464 HydrophobicContact CG-CB 4.19Å; F416-F464 AromaticContact CG-CD2 3.67Å; F416-F464 HydrophobicContact CG-CD2 3.67Å; F416-F464 HydrophobicContact CG-CG 4.34Å; F416-F464 HydrophobicContact CZ-CB 4.5Å; F464-P466 HydrophobicContact CE1-CB 4.24Å; F464-P466 HydrophobicContact CE1-CG 4.15Å; F464-P466 HydrophobicContact CZ-CB 4.13Å; F464-P466 WeakPolarHBondContact O-CD 3.46Å; F464-I469 HydrophobicContact CD2-CD1 4.32Å; F464-I469 HydrophobicContact CE2-CD1 3.79Å
465	R	98.4	Very high	97.3	Very high	90 Å²	90	46.2 Å²	46.2	34%	0.34	22%	0.224	S	C	.	.			trans	-125.4	77.7	-174.3	-67.8	-62.4	-59.5	-87.7	-5.1	111.8	D463 D467 L468 I469	D463-R465 HydrophobicContact CB-CG 3.99Å; D463-R465 PolarHBondContact O-N 3.21Å; R465-D467 IonicContact CZ-OD1 2.75Å; R465-D467 IonicContact CZ-OD2 2.64Å; R465-D467 IonicContact NE-OD1 2.79Å; R465-D467 PolarHBondContact NE-OD1 2.99Å; R465-D467 IonicContact NE-OD2 2.64Å; R465-D467 IonicContact NH2-OD1 2.65Å; R465-D467 PolarHBondContact NH2-OD1 3.41Å; R465-D467 IonicContact NH2-OD2 3.07Å; R465-D467 PolarHBondContact NH2-OD2 3.2Å; R465-D467 PolarHBondContact O-N 3.46Å; R465-L468 HydrophobicContact CB-CB 4.01Å; R465-L468 HydrophobicContact CB-CD1 3.8Å; R465-L468 HydrophobicContact CB-CG 3.93Å; R465-L468 HydrophobicContact CG-CD1 4.05Å; R465-L468 PolarHBondContact O-N 3.12Å; R465-L468 VanDerWaalsContact O-N 3.08Å; R465-I469 PolarHBondContact O-N 3.44Å; R465-I469 VanDerWaalsContact O-N 3.1Å
466	P	98.4	Very high	97.3	Very high	48 Å²	48	45.9 Å²	45.9	31%	0.312	22%	0.223	S	C	.	.	H	α-helix	trans	-58.1	-35.5	179.8	24	-34.3	0	0	0	112.1	P411 F464 L468 I469 E470	P411-P466 HydrophobicContact CB-CB 3.73Å; P411-P466 HydrophobicContact CG-CB 3.74Å; F464-P466 HydrophobicContact CE1-CB 4.24Å; F464-P466 HydrophobicContact CE1-CG 4.15Å; F464-P466 HydrophobicContact CZ-CB 4.13Å; F464-P466 WeakPolarHBondContact O-CD 3.46Å; P466-L468 VanDerWaalsContact C-N 3.3Å; P466-L468 PolarHBondContact O-N 3.22Å; P466-I469 PolarHBondContact O-N 3.31Å; P466-E470 WeakPolarHBondContact O-CB 3.42Å; P466-E470 WeakPolarHBondContact O-CG 3.44Å; P466-E470 PolarHBondContact O-N 2.88Å
467	D	98.4	Very high	97.4	Very high	76 Å²	76	49.4 Å²	49.4	41%	0.406	24%	0.235	S	C	.	.	H	α-helix	trans	-61.2	-35.1	176.7	66	-58	0	0	0	113.4	R465 M471	R465-D467 IonicContact CZ-OD1 2.75Å; R465-D467 IonicContact CZ-OD2 2.64Å; R465-D467 IonicContact NE-OD1 2.79Å; R465-D467 PolarHBondContact NE-OD1 2.99Å; R465-D467 IonicContact NE-OD2 2.64Å; R465-D467 IonicContact NH2-OD1 2.65Å; R465-D467 PolarHBondContact NH2-OD1 3.41Å; R465-D467 IonicContact NH2-OD2 3.07Å; R465-D467 PolarHBondContact NH2-OD2 3.2Å; R465-D467 PolarHBondContact O-N 3.46Å; D467-M471 VanDerWaalsContact O-CB 3.29Å; D467-M471 WeakPolarHBondContact O-CB 3.45Å; D467-M471 PolarHBondContact O-N 3.5Å; D467-M471 VanDerWaalsContact O-N 3.09Å
468	L	98.6	Very high	97.5	Very high	10 Å²	10	49.2 Å²	49.2	5%	0.052	23%	0.233	C	C	.	.	H	α-helix	trans	-81.2	-33	177	-61	-179	0	0	0	112	Y330 P335 R465 P466 M471 V472	Y330-L468 HydrophobicContact CD1-CD1 3.5Å; Y330-L468 HydrophobicContact CD1-CD2 4.34Å; Y330-L468 HydrophobicContact CD2-CD1 4.41Å; Y330-L468 HydrophobicContact CE1-CD1 3.96Å; Y330-L468 HydrophobicContact CE1-CD2 3.98Å; Y330-L468 HydrophobicContact CE2-CD2 4.32Å; Y330-L468 HydrophobicContact CG-CD1 3.77Å; P335-L468 HydrophobicContact CB-CB 4.08Å; P335-L468 HydrophobicContact CG-CB 4.01Å; R465-L468 HydrophobicContact CB-CB 4.01Å; R465-L468 HydrophobicContact CB-CD1 3.8Å; R465-L468 HydrophobicContact CB-CG 3.93Å; R465-L468 HydrophobicContact CG-CD1 4.05Å; R465-L468 PolarHBondContact O-N 3.12Å; R465-L468 VanDerWaalsContact O-N 3.08Å; P466-L468 VanDerWaalsContact C-N 3.3Å; P466-L468 PolarHBondContact O-N 3.22Å; L468-M471 HydrophobicContact CD2-CE 4.4Å; L468-M471 PolarHBondContact O-N 2.74Å; L468-V472 WeakPolarHBondContact O-CG2 3.28Å; L468-V472 PolarHBondContact O-N 3.32Å; L468-V472 VanDerWaalsContact O-N 3.14Å
469	I	98.8	Very high	97.7	Very high	3 Å²	3	49 Å²	49	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-63.7	-46.9	172.7	-66.7	163.8	0	0	0	109.7	P335 Y338 L339 P411 F464 R465 P466 V472 L473	P335-I469 HydrophobicContact CB-CG1 3.95Å; Y338-I469 HydrophobicContact CD1-CB 4.43Å; Y338-I469 HydrophobicContact CD1-CD1 3.7Å; Y338-I469 HydrophobicContact CD1-CG1 3.87Å; Y338-I469 HydrophobicContact CD1-CG2 3.65Å; Y338-I469 HydrophobicContact CD2-CD1 3.97Å; Y338-I469 HydrophobicContact CE1-CD1 3.97Å; Y338-I469 HydrophobicContact CE1-CG1 4.41Å; Y338-I469 HydrophobicContact CE1-CG2 3.65Å; Y338-I469 HydrophobicContact CE2-CD1 4.18Å; Y338-I469 HydrophobicContact CG-CD1 3.74Å; Y338-I469 HydrophobicContact CG-CG1 4.15Å; L339-I469 HydrophobicContact CD2-CG2 3.99Å; L339-I469 HydrophobicContact CG-CG2 4.28Å; P411-I469 HydrophobicContact CB-CB 4.3Å; P411-I469 HydrophobicContact CB-CD1 4.08Å; P411-I469 HydrophobicContact CB-CG2 4.11Å; P411-I469 HydrophobicContact CG-CB 4.09Å; P411-I469 HydrophobicContact CG-CG2 3.91Å; F464-I469 HydrophobicContact CD2-CD1 4.32Å; F464-I469 HydrophobicContact CE2-CD1 3.79Å; R465-I469 PolarHBondContact O-N 3.44Å; R465-I469 VanDerWaalsContact O-N 3.1Å; P466-I469 PolarHBondContact O-N 3.31Å; I469-V472 PolarHBondContact O-N 3.27Å; I469-L473 VanDerWaalsContact O-CB 3.23Å; I469-L473 WeakPolarHBondContact O-CB 3.16Å; I469-L473 PolarHBondContact O-N 3.1Å
470	E	98.6	Very high	97.9	Very high	109 Å²	109	47.4 Å²	47.4	51%	0.509	23%	0.228	S	C	.	.	H	α-helix	trans	-62	-41.8	174.9	-74.1	173.4	-165.4	0	0	112.2	P411 P466 V472 L473 D474	P411-E470 WeakPolarHBondContact CD-OE1 3.39Å; P411-E470 HydrophobicContact CG-CG 3.84Å; P466-E470 WeakPolarHBondContact O-CB 3.42Å; P466-E470 WeakPolarHBondContact O-CG 3.44Å; P466-E470 PolarHBondContact O-N 2.88Å; E470-V472 VanDerWaalsContact C-N 3.35Å; E470-V472 PolarHBondContact O-N 2.89Å; E470-L473 PolarHBondContact O-N 2.89Å; E470-D474 WeakPolarHBondContact O-CB 3.49Å; E470-D474 PolarHBondContact O-N 2.66Å
471	M	98.6	Very high	98	Very high	53 Å²	53	45.2 Å²	45.2	26%	0.261	22%	0.217	S	C	.	.	H	α-helix	trans	-60.1	-39.3	177.3	-179.6	-79.4	-61.2	0	0	113.2	P325 L327 Y330 D467 L468	P325-M471 HydrophobicContact CG-CE 4.45Å; P325-M471 HydrophobicContact CG-SD 3.92Å; L327-M471 HydrophobicContact CD2-CE 4.03Å; Y330-M471 HydrophobicContact CE2-CE 4.2Å; D467-M471 VanDerWaalsContact O-CB 3.29Å; D467-M471 WeakPolarHBondContact O-CB 3.45Å; D467-M471 PolarHBondContact O-N 3.5Å; D467-M471 VanDerWaalsContact O-N 3.09Å; L468-M471 HydrophobicContact CD2-CE 4.4Å; L468-M471 PolarHBondContact O-N 2.74Å
472	V	98.7	Very high	98.1	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-75.8	-41.6	174.8	-178.9	0	0	0	0	110.9	L327 P335 L339 F378 L468 I469 E470 D474 K475	L327-V472 HydrophobicContact CD1-CG1 4.43Å; L327-V472 HydrophobicContact CD1-CG2 3.78Å; L327-V472 HydrophobicContact CD2-CG2 3.73Å; L327-V472 HydrophobicContact CG-CG2 4.44Å; P335-V472 HydrophobicContact CB-CG2 4.25Å; P335-V472 HydrophobicContact CG-CG2 4.23Å; L339-V472 HydrophobicContact CD1-CB 3.76Å; L339-V472 HydrophobicContact CD1-CG1 3.64Å; F378-V472 HydrophobicContact CD2-CG1 4.46Å; L468-V472 WeakPolarHBondContact O-CG2 3.28Å; L468-V472 PolarHBondContact O-N 3.32Å; L468-V472 VanDerWaalsContact O-N 3.14Å; I469-V472 PolarHBondContact O-N 3.27Å; E470-V472 VanDerWaalsContact C-N 3.35Å; E470-V472 PolarHBondContact O-N 2.89Å; V472-D474 PolarHBondContact O-N 3.15Å; V472-K475 WeakPolarHBondContact O-CB 3.45Å; V472-K475 PolarHBondContact O-N 3.28Å
473	L	98.4	Very high	98.3	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-63.7	-25.6	178.6	-172.4	61	0	0	0	112.7	L339 V403 L406 R407 I469 E470 K475 L476	L339-L473 HydrophobicContact CD1-CB 4.08Å; L339-L473 HydrophobicContact CD2-CB 4.43Å; L339-L473 HydrophobicContact CD2-CD1 4.11Å; V403-L473 HydrophobicContact CG1-CD1 3.86Å; L406-L473 HydrophobicContact CB-CD1 4.2Å; L406-L473 HydrophobicContact CB-CD2 4.04Å; L406-L473 HydrophobicContact CD1-CD1 4.42Å; R407-L473 HydrophobicContact CB-CD2 4.42Å; R407-L473 HydrophobicContact CG-CD1 4.44Å; R407-L473 HydrophobicContact CG-CD2 3.64Å; R407-L473 HydrophobicContact CG-CG 3.77Å; R407-L473 PolarHBondContact NE-O 2.98Å; R407-L473 PolarHBondContact NH2-O 3.25Å; I469-L473 VanDerWaalsContact O-CB 3.23Å; I469-L473 WeakPolarHBondContact O-CB 3.16Å; I469-L473 PolarHBondContact O-N 3.1Å; E470-L473 PolarHBondContact O-N 2.89Å; L473-K475 VanDerWaalsContact C-N 3.3Å; L473-L476 HydrophobicContact CD1-CD1 4.29Å; L473-L476 PolarHBondContact O-N 3.28Å
474	D	98.4	Very high	98.5	Very high	62 Å²	62	38.2 Å²	38.2	33%	0.332	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-21.6	170.2	-177.5	63.7	0	0	0	113.6	E470 V472 R477	E470-D474 WeakPolarHBondContact O-CB 3.49Å; E470-D474 PolarHBondContact O-N 2.66Å; V472-D474 PolarHBondContact O-N 3.15Å; D474-R477 WeakPolarHBondContact O-CD 3.09Å; D474-R477 VanDerWaalsContact O-CG 3.27Å; D474-R477 WeakPolarHBondContact O-CG 3.12Å; D474-R477 PolarHBondContact O-NE 3.4Å; D474-R477 IonicContact OD1-CZ 3.24Å; D474-R477 VanDerWaalsContact OD1-CZ 3.24Å; D474-R477 IonicContact OD1-NE 2.9Å; D474-R477 PolarHBondContact OD1-NE 3.1Å; D474-R477 IonicContact OD1-NH2 2.74Å; D474-R477 PolarHBondContact OD1-NH2 2.87Å
475	K	98.6	Very high	98.6	Very high	67 Å²	67	36 Å²	36	29%	0.291	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-23.9	175.1	-55.9	-49.2	171	-151	0	113.5	I324 V472 L473 R477 N480	I324-K475 HydrophobicContact CG2-CB 3.9Å; I324-K475 HydrophobicContact CG2-CG 4.32Å; V472-K475 WeakPolarHBondContact O-CB 3.45Å; V472-K475 PolarHBondContact O-N 3.28Å; L473-K475 VanDerWaalsContact C-N 3.3Å; K475-R477 PolarHBondContact O-N 2.76Å; K475-N480 WeakPolarHBondContact O-CB 3.36Å; K475-N480 PolarHBondContact O-ND2 2.66Å
476	L	98.6	Very high	98.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.			trans	-77.9	62	-178.1	-49.1	-172.2	0	0	0	111.7	F322 I343 F378 V403 R407 L473	F322-L476 HydrophobicContact CB-CD2 3.93Å; F322-L476 HydrophobicContact CD2-CD2 3.7Å; F322-L476 HydrophobicContact CE2-CD2 4.35Å; F322-L476 HydrophobicContact CG-CD2 3.81Å; I343-L476 HydrophobicContact CD1-CD1 3.77Å; F378-L476 HydrophobicContact CB-CD2 3.6Å; F378-L476 HydrophobicContact CD1-CD1 3.96Å; F378-L476 HydrophobicContact CD1-CD2 3.68Å; F378-L476 HydrophobicContact CD2-CD2 4.39Å; F378-L476 HydrophobicContact CE1-CD1 3.94Å; F378-L476 HydrophobicContact CE1-CD2 4.49Å; F378-L476 HydrophobicContact CG-CD1 4.33Å; F378-L476 HydrophobicContact CG-CD2 3.63Å; F378-L476 HydrophobicContact CZ-CD1 4.27Å; V403-L476 HydrophobicContact CG1-CB 4.07Å; V403-L476 HydrophobicContact CG2-CB 4.47Å; R407-L476 PolarHBondContact NH2-O 3.02Å; L473-L476 HydrophobicContact CD1-CD1 4.29Å; L473-L476 PolarHBondContact O-N 3.28Å
477	R	98.4	Very high	98.6	Very high	78 Å²	78	29.6 Å²	29.6	29%	0.294	15%	0.145	S	C	.	.	S	Bend	trans	-125.8	151.7	-174.5	-62.8	180	179.7	-87	3.1	112.2	F322 D474 K475 E479 N480 V481	F322-R477 WeakPolarHBondContact CE1-O 3.47Å; D474-R477 WeakPolarHBondContact O-CD 3.09Å; D474-R477 VanDerWaalsContact O-CG 3.27Å; D474-R477 WeakPolarHBondContact O-CG 3.12Å; D474-R477 PolarHBondContact O-NE 3.4Å; D474-R477 IonicContact OD1-CZ 3.24Å; D474-R477 VanDerWaalsContact OD1-CZ 3.24Å; D474-R477 IonicContact OD1-NE 2.9Å; D474-R477 PolarHBondContact OD1-NE 3.1Å; D474-R477 IonicContact OD1-NH2 2.74Å; D474-R477 PolarHBondContact OD1-NH2 2.87Å; K475-R477 PolarHBondContact O-N 2.76Å; R477-E479 VanDerWaalsContact C-N 3.28Å; R477-E479 VanDerWaalsContact CB-CD 3.45Å; R477-E479 HydrophobicContact CB-CG 4.4Å; R477-E479 WeakPolarHBondContact CB-OE1 3.49Å; R477-E479 VanDerWaalsContact CB-OE2 3.31Å; R477-E479 WeakPolarHBondContact CB-OE2 3.12Å; R477-E479 WeakPolarHBondContact CD-OE1 3.4Å; R477-E479 PolarHBondContact O-N 3.38Å; R477-N480 PolarHBondContact O-N 3.26Å; R477-V481 PolarHBondContact O-N 3.24Å
478	P	98.6	Very high	98.6	Very high	6 Å²	6	29 Å²	29	4%	0.039	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-53.7	-39.4	-178	-29.2	37.8	0	0	0	114.3	F400 N480 V481 I515 W518 A519	F400-P478 HydrophobicContact CD1-CG 4.11Å; F400-P478 HydrophobicContact CD2-CG 4.16Å; F400-P478 HydrophobicContact CE1-CG 3.93Å; F400-P478 HydrophobicContact CE2-CB 4.34Å; F400-P478 HydrophobicContact CE2-CG 3.95Å; F400-P478 HydrophobicContact CG-CG 4.23Å; F400-P478 HydrophobicContact CZ-CB 4.22Å; F400-P478 HydrophobicContact CZ-CG 3.84Å; P478-N480 PolarHBondContact O-N 2.93Å; P478-V481 WeakPolarHBondContact O-CB 3.25Å; P478-V481 WeakPolarHBondContact O-CG1 3.34Å; P478-V481 PolarHBondContact O-N 3.16Å; P478-V481 VanDerWaalsContact O-N 3.1Å; P478-I515 HydrophobicContact CB-CD1 4.29Å; P478-I515 HydrophobicContact CB-CG2 4.1Å; P478-W518 HydrophobicContact CB-CB 4.04Å; P478-W518 HydrophobicContact CB-CE3 4.38Å; P478-W518 HydrophobicContact CG-CB 3.65Å; P478-A519 HydrophobicContact CG-CB 4.21Å
479	E	98.1	Very high	98.6	Very high	75 Å²	75	31.1 Å²	31.1	35%	0.35	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-63.1	-22.6	178.8	63.3	-87.2	-158	0	0	113.9	K304 R477	K304-E479 WeakPolarHBondContact CE-O 3.37Å; R477-E479 VanDerWaalsContact C-N 3.28Å; R477-E479 VanDerWaalsContact CB-CD 3.45Å; R477-E479 HydrophobicContact CB-CG 4.4Å; R477-E479 WeakPolarHBondContact CB-OE1 3.49Å; R477-E479 VanDerWaalsContact CB-OE2 3.31Å; R477-E479 WeakPolarHBondContact CB-OE2 3.12Å; R477-E479 WeakPolarHBondContact CD-OE1 3.4Å; R477-E479 PolarHBondContact O-N 3.38Å
480	N	98.4	Very high	98.5	Very high	34 Å²	34	32.2 Å²	32.2	18%	0.182	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-97.6	1.1	178.5	-59.5	-34.7	0	0	0	113.2	F322 P323 K475 R477 P478	F322-N480 HydrophobicContact CD1-CB 4.39Å; P323-N480 WeakPolarHBondContact CD-O 3.31Å; P323-N480 HydrophobicContact CG-CB 4.34Å; K475-N480 WeakPolarHBondContact O-CB 3.36Å; K475-N480 PolarHBondContact O-ND2 2.66Å; R477-N480 PolarHBondContact O-N 3.26Å; P478-N480 PolarHBondContact O-N 2.93Å
481	V	98.7	Very high	98.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.			trans	-79.3	145	-167.5	84.8	0	0	0	0	113.2	K304 V320 F322 F400 R477 P478 V483 I510 I515 W518	K304-V481 WeakPolarHBondContact CA-O 3.38Å; K304-V481 PolarHBondContact N-O 3.01Å; V320-V481 HydrophobicContact CG1-CG2 3.46Å; V320-V481 VanDerWaalsContact CG1-CG2 3.46Å; F322-V481 HydrophobicContact CD1-CB 4.44Å; F322-V481 HydrophobicContact CD1-CG2 4.37Å; F322-V481 HydrophobicContact CE1-CB 3.93Å; F322-V481 HydrophobicContact CE1-CG2 3.7Å; F322-V481 HydrophobicContact CZ-CG2 3.91Å; F400-V481 HydrophobicContact CZ-CB 4.36Å; F400-V481 HydrophobicContact CZ-CG2 4.17Å; R477-V481 PolarHBondContact O-N 3.24Å; P478-V481 WeakPolarHBondContact O-CB 3.25Å; P478-V481 WeakPolarHBondContact O-CG1 3.34Å; P478-V481 PolarHBondContact O-N 3.16Å; P478-V481 VanDerWaalsContact O-N 3.1Å; V481-V483 HydrophobicContact CG1-CG2 4.18Å; V481-V483 HydrophobicContact CG2-CG2 4.01Å; V481-I510 HydrophobicContact CG1-CD1 3.74Å; V481-I515 HydrophobicContact CG1-CD1 4.37Å; V481-W518 HydrophobicContact CG1-CZ3 4.08Å
482	R	98.9	Very high	98.4	Very high	12 Å²	12	34.5 Å²	34.5	5%	0.045	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.4	160.3	-74.3	165.5	58.9	80.6	-4.2	108.6	T213 F298 H302 L303 Y307 V320 T321	T213-R482 PolarHBondContact O-NH1 3.39Å; T213-R482 PolarHBondContact O-NH2 2.83Å; T213-R482 PolarHBondContact OG1-NH2 2.95Å; F298-R482 VanDerWaalsContact CD2-NE 3.33Å; F298-R482 VanDerWaalsContact CE1-NH2 3.32Å; F298-R482 VanDerWaalsContact CE2-NE 3.29Å; H302-R482 VanDerWaalsContact O-CD 3.24Å; H302-R482 WeakPolarHBondContact O-CD 3.27Å; H302-R482 WeakPolarHBondContact O-CG 3.11Å; H302-R482 PolarHBondContact O-NH1 2.98Å; L303-R482 HydrophobicContact CD2-CG 4.44Å; Y307-R482 PolarHBondContact OH-NH1 2.87Å; V320-R482 WeakPolarHBondContact CA-O 3.27Å; T321-R482 PolarHBondContact N-O 3.24Å; T321-R482 PolarHBondContact O-N 3.3Å
483	V	98.9	Very high	98.3	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.5	-175.2	177.2	0	0	0	0	109.2	Q305 F306 Y307 L318 Y319 I396 V481 I510	Q305-V483 PolarHBondContact O-N 3.49Å; F306-V483 CarbonylContact C-O 3.58Å; F306-V483 WeakPolarHBondContact CA-O 3.45Å; F306-V483 HydrophobicContact CD2-CB 3.96Å; F306-V483 HydrophobicContact CD2-CG1 3.64Å; F306-V483 HydrophobicContact CE2-CB 4.37Å; F306-V483 HydrophobicContact CE2-CG1 3.55Å; F306-V483 HydrophobicContact CG-CG1 4.43Å; F306-V483 HydrophobicContact CZ-CG1 4.27Å; Y307-V483 WeakPolarHBondContact CD2-O 3.44Å; Y307-V483 PolarHBondContact N-O 2.75Å; L318-V483 HydrophobicContact CD1-CG1 3.72Å; Y319-V483 WeakPolarHBondContact O-CA 3.24Å; I396-V483 HydrophobicContact CD1-CG1 3.8Å; I396-V483 HydrophobicContact CD1-CG2 3.95Å; V481-V483 HydrophobicContact CG1-CG2 4.18Å; V481-V483 HydrophobicContact CG2-CG2 4.01Å; V483-I510 HydrophobicContact CB-CD1 4.25Å; V483-I510 HydrophobicContact CG2-CD1 3.81Å
484	A	98.8	Very high	98.3	Very high	21 Å²	21	41.6 Å²	41.6	17%	0.174	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	124.8	170.7	0	0	0	0	0	110.9	Y307 Y319	Y307-A484 CarbonylContact O-C 3.43Å; Y307-A484 WeakPolarHBondContact O-CA 3.47Å; Y319-A484 PolarHBondContact N-O 2.91Å; Y319-A484 PolarHBondContact O-N 2.88Å
485	V	98.9	Very high	98.3	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124	172.8	-174.1	0	0	0	0	108.8	F306 Y307 V309 N317 L318 L384 L389 V392 F490	F306-V485 HydrophobicContact CE1-CB 4.4Å; F306-V485 HydrophobicContact CE1-CG2 3.94Å; F306-V485 HydrophobicContact CE2-CG2 4.31Å; F306-V485 HydrophobicContact CZ-CB 4.39Å; F306-V485 HydrophobicContact CZ-CG2 3.49Å; F306-V485 VanDerWaalsContact CZ-CG2 3.49Å; Y307-V485 PolarHBondContact O-N 3.1Å; V309-V485 PolarHBondContact N-O 2.74Å; N317-V485 WeakPolarHBondContact O-CA 3.44Å; L318-V485 HydrophobicContact CD1-CG2 4.12Å; L384-V485 HydrophobicContact CD1-CG1 4.06Å; L389-V485 HydrophobicContact CD1-CG1 3.72Å; V392-V485 HydrophobicContact CG1-CG2 3.84Å; V392-V485 HydrophobicContact CG2-CG1 4.46Å; V392-V485 HydrophobicContact CG2-CG2 4.12Å; V485-F490 HydrophobicContact CB-CE2 4.03Å; V485-F490 HydrophobicContact CB-CZ 4.24Å; V485-F490 HydrophobicContact CG1-CE2 3.83Å; V485-F490 HydrophobicContact CG1-CZ 4Å; V485-F490 WeakPolarHBondContact O-CE2 3.36Å
486	V	98.9	Very high	98.3	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.1	177.1	-175.3	0	0	0	0	107.6	L206 V309 P311 I315 R316 N317 Y319	L206-V486 HydrophobicContact CD1-CG2 4.01Å; L206-V486 HydrophobicContact CD2-CG2 3.57Å; L206-V486 HydrophobicContact CG-CG2 4.45Å; V309-V486 HydrophobicContact CB-CG2 4.21Å; V309-V486 WeakPolarHBondContact O-CA 3.43Å; P311-V486 HydrophobicContact CB-CG1 3.63Å; P311-V486 HydrophobicContact CG-CG1 3.79Å; I315-V486 HydrophobicContact CD1-CG1 4.45Å; I315-V486 HydrophobicContact CG1-CG1 4.35Å; R316-V486 VanDerWaalsContact CA-O 3.27Å; R316-V486 WeakPolarHBondContact CA-O 3.37Å; N317-V486 HydrophobicContact CB-CB 4.37Å; N317-V486 PolarHBondContact N-O 2.83Å; N317-V486 VanDerWaalsContact N-O 3.07Å; N317-V486 PolarHBondContact O-N 3.18Å; Y319-V486 HydrophobicContact CD2-CG2 4Å; Y319-V486 HydrophobicContact CE2-CG2 3.62Å
487	S	98.6	Very high	98.3	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.028	27%	0.267	C	S	.	.			trans	-164	144.8	178.5	178.4	0	0	0	0	112.2	V309 P311 L389 S489 F490	V309-S487 PolarHBondContact O-N 2.88Å; P311-S487 WeakPolarHBondContact CD-O 3.39Å; L389-S487 VanDerWaalsContact CD2-OG 3.31Å; L389-S487 WeakPolarHBondContact CD2-OG 3.41Å; S487-S489 WeakPolarHBondContact CB-OG 3.33Å; S487-S489 PolarHBondContact O-N 3.3Å; S487-S489 WeakPolarHBondContact OG-CB 3.48Å; S487-S489 PolarHBondContact OG-N 2.94Å; S487-S489 VanDerWaalsContact OG-N 3.07Å; S487-S489 PolarHBondContact OG-OG 2.81Å; S487-F490 PolarHBondContact O-N 3.28Å
488	K	98.1	Very high	98.3	Very high	63 Å²	63	46 Å²	46	27%	0.274	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-60.8	-22.4	168.6	-74.7	-63.1	-167.1	-177.5	0	113.5	P311 I312 K313 D314 F490 E491	P311-K488 HydrophobicContact CG-CD 4.29Å; P311-K488 HydrophobicContact CG-CG 4.28Å; P311-K488 VanDerWaalsContact O-CE 3.3Å; P311-K488 WeakPolarHBondContact O-CE 3.45Å; P311-K488 PolarHBondContact O-NZ 3.07Å; I312-K488 VanDerWaalsContact O-CE 3.22Å; I312-K488 WeakPolarHBondContact O-CE 3.3Å; I312-K488 PolarHBondContact O-NZ 2.91Å; K313-K488 WeakPolarHBondContact O-CE 3.42Å; D314-K488 HydrophobicContact CB-CG 4.44Å; K488-F490 PolarHBondContact O-N 2.91Å; K488-E491 VanDerWaalsContact O-CB 3.29Å; K488-E491 WeakPolarHBondContact O-CB 3.13Å; K488-E491 PolarHBondContact O-N 2.79Å
489	S	98.1	Very high	98.3	Very high	55 Å²	55	53.1 Å²	53.1	39%	0.385	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-60.5	-17.1	178.5	62.3	0	0	0	0	114.4	S487 Q493	S487-S489 WeakPolarHBondContact CB-OG 3.33Å; S487-S489 PolarHBondContact O-N 3.3Å; S487-S489 WeakPolarHBondContact OG-CB 3.48Å; S487-S489 PolarHBondContact OG-N 2.94Å; S487-S489 VanDerWaalsContact OG-N 3.07Å; S487-S489 PolarHBondContact OG-OG 2.81Å; S489-Q493 PolarHBondContact O-NE2 2.89Å
490	F	98.3	Very high	98.2	Very high	25 Å²	25	51 Å²	51	11%	0.11	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-90.1	1.1	177.4	-52.8	-51.7	0	0	0	114	K308 V310 V485 S487 K488 G492 Q493	K308-F490 HydrophobicContact CB-CD1 4.03Å; K308-F490 HydrophobicContact CB-CD2 3.83Å; K308-F490 HydrophobicContact CB-CE1 4.17Å; K308-F490 HydrophobicContact CB-CE2 3.96Å; K308-F490 HydrophobicContact CB-CG 3.86Å; K308-F490 HydrophobicContact CB-CZ 4.14Å; K308-F490 HydrophobicContact CD-CD1 4.1Å; K308-F490 HydrophobicContact CD-CE1 3.87Å; K308-F490 HydrophobicContact CD-CZ 4.34Å; K308-F490 HydrophobicContact CG-CD1 4.17Å; K308-F490 HydrophobicContact CG-CD2 4.44Å; K308-F490 HydrophobicContact CG-CE1 3.86Å; K308-F490 HydrophobicContact CG-CE2 4.13Å; K308-F490 HydrophobicContact CG-CG 4.46Å; K308-F490 HydrophobicContact CG-CZ 3.84Å; V310-F490 VanDerWaalsContact CG2-C 3.5Å; V310-F490 HydrophobicContact CG2-CB 3.9Å; V485-F490 HydrophobicContact CB-CE2 4.03Å; V485-F490 HydrophobicContact CB-CZ 4.24Å; V485-F490 HydrophobicContact CG1-CE2 3.83Å; V485-F490 HydrophobicContact CG1-CZ 4Å; V485-F490 WeakPolarHBondContact O-CE2 3.36Å; S487-F490 PolarHBondContact O-N 3.28Å; K488-F490 PolarHBondContact O-N 2.91Å; F490-G492 PolarHBondContact O-N 3.07Å; F490-Q493 WeakPolarHBondContact O-CA 3.19Å; F490-Q493 WeakPolarHBondContact O-CB 3.41Å; F490-Q493 PolarHBondContact O-N 2.76Å
491	E	96.7	Very high	98.2	Very high	130 Å²	130	49.8 Å²	49.8	61%	0.607	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	129.8	177.1	-167.7	157.4	-119.7	0	0	110.6	V310 K488 Q493	V310-E491 HydrophobicContact CG1-CB 4.32Å; K488-E491 VanDerWaalsContact O-CB 3.29Å; K488-E491 WeakPolarHBondContact O-CB 3.13Å; K488-E491 PolarHBondContact O-N 2.79Å; E491-Q493 PolarHBondContact O-N 3.25Å
492	G	96.8	Very high	98.2	Very high	81 Å²	81	51.3 Å²	51.3	84%	0.835	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	-2.2	-171.3	0	0	0	0	0	116.1	F490	F490-G492 PolarHBondContact O-N 3.07Å
493	Q	97.5	Very high	98.2	Very high	128 Å²	128	50.8 Å²	50.8	60%	0.598	28%	0.281	S	S	*	.			trans	-108.1	-0.1	180	-53.2	-169.6	51.4	0	0	113.9	S489 F490 E491	S489-Q493 PolarHBondContact O-NE2 2.89Å; F490-Q493 WeakPolarHBondContact O-CA 3.19Å; F490-Q493 WeakPolarHBondContact O-CB 3.41Å; F490-Q493 PolarHBondContact O-N 2.76Å; E491-Q493 PolarHBondContact O-N 3.25Å
494	T	98.4	Very high	98.2	Very high	29 Å²	29	53.9 Å²	53.9	18%	0.178	30%	0.296	C	S	.	.			trans	-87.3	141.2	179.5	54	0	0	0	0	112.8	V310 Q504 Y505	V310-T494 HydrophobicContact CG2-CG2 3.63Å; T494-Q504 HydrophobicContact CG2-CB 4.22Å; T494-Y505 VanDerWaalsContact CB-O 3.31Å; T494-Y505 WeakPolarHBondContact CB-O 3.35Å
495	D	98.3	Very high	98.2	Very high	101 Å²	101	53.9 Å²	53.9	54%	0.54	29%	0.292	S	S	.	.			trans	-112.4	-2.1	178.9	56.9	18	0	0	0	114.4	Y505 K506	D495-Y505 PolarHBondContact N-O 2.79Å; D495-K506 WeakPolarHBondContact OD1-CG 3.34Å; D495-K506 WeakPolarHBondContact OD2-CE 3.24Å
496	R	98.5	Very high	98.2	Very high	111 Å²	111	56.5 Å²	56.5	42%	0.419	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	155.2	-178.3	-67.2	162.1	-177.3	-110.5	-0.4	112.5	Y505	R496-Y505 WeakPolarHBondContact CA-O 3.48Å; R496-Y505 HydrophobicContact CB-CD1 3.83Å; R496-Y505 HydrophobicContact CB-CD2 4.28Å; R496-Y505 HydrophobicContact CB-CE1 3.53Å; R496-Y505 HydrophobicContact CB-CE2 4Å; R496-Y505 HydrophobicContact CB-CG 4.21Å; R496-Y505 WeakPolarHBondContact CB-O 3.49Å; R496-Y505 HydrophobicContact CG-CE2 4.41Å; R496-Y505 PolarHBondContact N-O 3.22Å; R496-Y505 PolarHBondContact O-N 2.82Å
497	T	98.7	Very high	98.2	Very high	84 Å²	84	58.9 Å²	58.9	52%	0.515	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.5	174.9	-57	0	0	0	0	107.7	T503 Q504	T497-T503 WeakPolarHBondContact CA-O 3.37Å; T497-Q504 VanDerWaalsContact CG2-OE1 3.27Å; T497-Q504 PolarHBondContact OG1-NE2 2.96Å; T497-Q504 PolarHBondContact OG1-OE1 3.36Å
498	E	98.5	Very high	98.2	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.019	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	138.4	169.5	-176	-76.2	131.9	0	0	109.7	Q208 L209 A212 W500 Y501 G502 T503 Y505	Q208-E498 WeakPolarHBondContact CG-OE1 3.39Å; L209-E498 HydrophobicContact CD1-CB 4.13Å; L209-E498 HydrophobicContact CD1-CG 4.33Å; A212-E498 HydrophobicContact CB-CG 3.89Å; E498-W500 WeakPolarHBondContact OE1-CB 3.36Å; E498-W500 PolarHBondContact OE1-N 2.97Å; E498-Y501 WeakPolarHBondContact OE2-CB 3.31Å; E498-Y501 PolarHBondContact OE2-N 3.18Å; E498-G502 WeakPolarHBondContact O-CA 3.34Å; E498-G502 PolarHBondContact O-N 2.97Å; E498-T503 PolarHBondContact N-O 3.18Å; E498-Y505 HydrophobicContact CB-CE1 4.26Å
499	E	97.4	Very high	98.2	Very high	155 Å²	155	62 Å²	62	72%	0.724	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-31.6	-160	73.7	-177.4	157.3	0	0	115.1
500	W	97.9	Very high	98.2	Very high	30 Å²	30	60.3 Å²	60.3	11%	0.114	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-32.6	-172.7	-60.6	100.8	0	0	0	113	H195 L199 Q208 F223 T230 E498	H195-W500 PolarHBondContact CE1-O 2.81Å; H195-W500 VanDerWaalsContact CE1-O 3.31Å; L199-W500 WeakPolarHBondContact CD1-O 3.23Å; Q208-W500 HydrophobicContact CG-CB 4.29Å; F223-W500 HydrophobicContact CB-CD2 3.7Å; F223-W500 HydrophobicContact CB-CE3 4.38Å; F223-W500 HydrophobicContact CB-CG 3.83Å; F223-W500 HydrophobicContact CB-CZ2 4.23Å; F223-W500 AromaticContact CD1-CD2 3.51Å; F223-W500 HydrophobicContact CD1-CD2 3.51Å; F223-W500 AromaticContact CD1-CE3 3.29Å; F223-W500 HydrophobicContact CD1-CE3 3.29Å; F223-W500 HydrophobicContact CD1-CG 4.16Å; F223-W500 HydrophobicContact CD1-CH2 4.1Å; F223-W500 HydrophobicContact CD1-CZ2 4.3Å; F223-W500 AromaticContact CD1-CZ3 3.61Å; F223-W500 HydrophobicContact CD1-CZ3 3.61Å; F223-W500 HydrophobicContact CD2-CB 4.15Å; F223-W500 HydrophobicContact CD2-CD2 4.27Å; F223-W500 HydrophobicContact CD2-CG 4.05Å; F223-W500 HydrophobicContact CE1-CD2 4.19Å; F223-W500 AromaticContact CE1-CE3 3.59Å; F223-W500 HydrophobicContact CE1-CE3 3.59Å; F223-W500 AromaticContact CE1-CZ3 3.95Å; F223-W500 HydrophobicContact CE1-CZ3 3.95Å; F223-W500 HydrophobicContact CE2-CB 4.48Å; F223-W500 HydrophobicContact CG-CB 4.31Å; F223-W500 AromaticContact CG-CD2 3.56Å; F223-W500 HydrophobicContact CG-CD2 3.56Å; F223-W500 AromaticContact CG-CE3 3.85Å; F223-W500 HydrophobicContact CG-CE3 3.85Å; F223-W500 AromaticContact CG-CG 3.75Å; F223-W500 HydrophobicContact CG-CG 3.75Å; F223-W500 HydrophobicContact CG-CZ3 4.48Å; F223-W500 HydrophobicContact CZ-CE3 4.38Å; T230-W500 HydrophobicContact CG2-CH2 3.41Å; T230-W500 VanDerWaalsContact CG2-CH2 3.41Å; T230-W500 HydrophobicContact CG2-CZ3 3.45Å; T230-W500 VanDerWaalsContact CG2-CZ3 3.45Å; E498-W500 WeakPolarHBondContact OE1-CB 3.36Å; E498-W500 PolarHBondContact OE1-N 2.97Å
501	Y	98.1	Very high	98.2	Very high	8 Å²	8	61.8 Å²	61.8	3%	0.031	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-8.4	-179.5	-67.6	-104.1	0	0	0	113.5	N198 L199 W204 R205 Q208 F223 E498 T503	N198-Y501 HydrophobicContact CB-CE1 4.12Å; N198-Y501 WeakPolarHBondContact O-CE1 3.48Å; L199-Y501 HydrophobicContact CD1-CD1 4.49Å; W204-Y501 HydrophobicContact CB-CD1 4.41Å; W204-Y501 HydrophobicContact CB-CE1 3.65Å; R205-Y501 HydrophobicContact CG-CD1 3.92Å; R205-Y501 HydrophobicContact CG-CG 4.24Å; R205-Y501 PolarHBondContact NH1-O 3.18Å; Q208-Y501 HydrophobicContact CB-CD2 3.61Å; Q208-Y501 HydrophobicContact CB-CE2 3.56Å; Q208-Y501 HydrophobicContact CG-CD2 3.83Å; Q208-Y501 HydrophobicContact CG-CE2 3.79Å; F223-Y501 HydrophobicContact CD2-CE2 4.37Å; F223-Y501 HydrophobicContact CE2-CE2 4.21Å; E498-Y501 WeakPolarHBondContact OE2-CB 3.31Å; E498-Y501 PolarHBondContact OE2-N 3.18Å; Y501-T503 VanDerWaalsContact C-N 3.32Å
502	G	98.2	Very high	98.2	Very high	32 Å²	32	61.1 Å²	61.1	33%	0.33	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	42.1	-170.2	0	0	0	0	0	111	R205 E498 Q504	R205-G502 PolarHBondContact NH2-O 3.24Å; E498-G502 WeakPolarHBondContact O-CA 3.34Å; E498-G502 PolarHBondContact O-N 2.97Å; G502-Q504 PolarHBondContact O-N 2.88Å
503	T	98.7	Very high	98.2	Very high	1 Å²	1	65 Å²	65	1%	0.006	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	111.8	179.7	-50.2	0	0	0	0	109.4	R205 L209 V309 T497 E498 Y501 Y505	R205-T503 HydrophobicContact CB-CG2 4.32Å; L209-T503 HydrophobicContact CD2-CG2 4.05Å; V309-T503 HydrophobicContact CG1-CG2 3.8Å; T497-T503 WeakPolarHBondContact CA-O 3.37Å; E498-T503 PolarHBondContact N-O 3.18Å; Y501-T503 VanDerWaalsContact C-N 3.32Å; T503-Y505 WeakPolarHBondContact O-CD1 3.49Å; T503-Y505 PolarHBondContact O-N 3.38Å
504	Q	98.8	Very high	98.2	Very high	67 Å²	67	59.5 Å²	59.5	31%	0.313	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	121.6	177	-66.6	-53.6	115.8	0	0	110.2	V310 T494 T497 G502	V310-Q504 HydrophobicContact CB-CB 4.18Å; V310-Q504 HydrophobicContact CG2-CB 4.42Å; V310-Q504 PolarHBondContact N-O 2.82Å; T494-Q504 HydrophobicContact CG2-CB 4.22Å; T497-Q504 VanDerWaalsContact CG2-OE1 3.27Å; T497-Q504 PolarHBondContact OG1-NE2 2.96Å; T497-Q504 PolarHBondContact OG1-OE1 3.36Å; G502-Q504 PolarHBondContact O-N 2.88Å
505	Y	98.8	Very high	98.2	Very high	20 Å²	20	58.7 Å²	58.7	8%	0.078	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	171.3	179	77.6	-78.9	0	0	0	113	L209 T213 Y307 K308 T494 D495 R496 E498 T503 Q507	L209-Y505 HydrophobicContact CD1-CD1 3.52Å; L209-Y505 HydrophobicContact CD1-CD2 4.12Å; L209-Y505 HydrophobicContact CD1-CE1 3.64Å; L209-Y505 HydrophobicContact CD1-CE2 4.23Å; L209-Y505 HydrophobicContact CD1-CG 3.77Å; L209-Y505 HydrophobicContact CD2-CG 4.4Å; T213-Y505 HydrophobicContact CG2-CE2 4.05Å; Y307-Y505 HydrophobicContact CD1-CD2 4.22Å; Y307-Y505 HydrophobicContact CD1-CE2 4.35Å; K308-Y505 CarbonylContact O-C 3.58Å; K308-Y505 WeakPolarHBondContact O-CA 3.5Å; K308-Y505 WeakPolarHBondContact O-CB 2.78Å; T494-Y505 VanDerWaalsContact CB-O 3.31Å; T494-Y505 WeakPolarHBondContact CB-O 3.35Å; D495-Y505 PolarHBondContact N-O 2.79Å; R496-Y505 WeakPolarHBondContact CA-O 3.48Å; R496-Y505 HydrophobicContact CB-CD1 3.83Å; R496-Y505 HydrophobicContact CB-CD2 4.28Å; R496-Y505 HydrophobicContact CB-CE1 3.53Å; R496-Y505 HydrophobicContact CB-CE2 4Å; R496-Y505 HydrophobicContact CB-CG 4.21Å; R496-Y505 WeakPolarHBondContact CB-O 3.49Å; R496-Y505 HydrophobicContact CG-CE2 4.41Å; R496-Y505 PolarHBondContact N-O 3.22Å; R496-Y505 PolarHBondContact O-N 2.82Å; E498-Y505 HydrophobicContact CB-CE1 4.26Å; T503-Y505 WeakPolarHBondContact O-CD1 3.49Å; T503-Y505 PolarHBondContact O-N 3.38Å; Y505-Q507 HydrophobicContact CE2-CB 4.3Å
506	K	98.8	Very high	98.2	Very high	58 Å²	58	58.8 Å²	58.8	25%	0.252	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.4	166	-179	171.6	-173.3	-151.9	0	109.3	Y307 K308 D495 E508	Y307-K506 WeakPolarHBondContact CA-O 3.42Å; K308-K506 HydrophobicContact CB-CB 4.37Å; K308-K506 PolarHBondContact N-O 3.37Å; K308-K506 PolarHBondContact O-N 3.47Å; D495-K506 WeakPolarHBondContact OD1-CG 3.34Å; D495-K506 WeakPolarHBondContact OD2-CE 3.24Å; K506-E508 HydrophobicContact CD-CG 4.33Å; K506-E508 WeakPolarHBondContact CD-OE1 3.3Å; K506-E508 VanDerWaalsContact CE-OE1 3.23Å; K506-E508 WeakPolarHBondContact CE-OE1 3.36Å; K506-E508 HydrophobicContact CG-CG 4.22Å; K506-E508 IonicContact NZ-OE1 3.21Å; K506-E508 PolarHBondContact NZ-OE1 3.26Å
507	Q	98.6	Very high	98.2	Very high	51 Å²	51	57.4 Å²	57.4	24%	0.238	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.5	173.9	179.4	177.9	-2	0	0	109.5	F306 Y307 Y505	F306-Q507 WeakPolarHBondContact O-CA 2.99Å; Y307-Q507 HydrophobicContact CD1-CB 4.02Å; Y307-Q507 HydrophobicContact CD1-CG 4.08Å; Y307-Q507 HydrophobicContact CE1-CB 3.88Å; Y307-Q507 HydrophobicContact CE1-CG 3.54Å; Y307-Q507 PolarHBondContact OH-NE2 3.41Å; Y505-Q507 HydrophobicContact CE2-CB 4.3Å
508	E	98.3	Very high	98.1	Very high	55 Å²	55	53.6 Å²	53.6	26%	0.257	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.3	176.8	-65.9	172.4	-177.7	0	0	108.9	F306 K308 K506	F306-E508 HydrophobicContact CB-CB 4.47Å; F306-E508 PolarHBondContact N-O 2.84Å; F306-E508 PolarHBondContact O-N 3.19Å; K308-E508 VanDerWaalsContact CE-OE2 3.26Å; K308-E508 WeakPolarHBondContact CE-OE2 3.25Å; K308-E508 IonicContact NZ-OE1 3.96Å; K308-E508 PolarHBondContact NZ-OE1 2.91Å; K308-E508 IonicContact NZ-OE2 2.69Å; K308-E508 PolarHBondContact NZ-OE2 2.92Å; K506-E508 HydrophobicContact CD-CG 4.33Å; K506-E508 WeakPolarHBondContact CD-OE1 3.3Å; K506-E508 VanDerWaalsContact CE-OE1 3.23Å; K506-E508 WeakPolarHBondContact CE-OE1 3.36Å; K506-E508 HydrophobicContact CG-CG 4.22Å; K506-E508 IonicContact NZ-OE1 3.21Å; K506-E508 PolarHBondContact NZ-OE1 3.26Å
509	A	98.4	Very high	98.1	Very high	78 Å²	78	56.3 Å²	56.3	65%	0.645	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	137.3	167.5	0	0	0	0	0	109.1
510	I	98.4	Very high	98	Very high	18 Å²	18	55 Å²	55	9%	0.092	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-66.5	140.2	171.6	-60	174.1	0	0	0	108.1	K304 F306 V481 V483 I515 W518	K304-I510 WeakPolarHBondContact O-CB 3.33Å; K304-I510 WeakPolarHBondContact O-CG1 3.44Å; K304-I510 PolarHBondContact O-N 3.04Å; F306-I510 HydrophobicContact CB-CG1 3.85Å; F306-I510 HydrophobicContact CD2-CG1 4.28Å; V481-I510 HydrophobicContact CG1-CD1 3.74Å; V483-I510 HydrophobicContact CB-CD1 4.25Å; V483-I510 HydrophobicContact CG2-CD1 3.81Å; I510-I515 HydrophobicContact CB-CD1 4.12Å; I510-I515 HydrophobicContact CB-CG1 4.39Å; I510-I515 HydrophobicContact CG2-CD1 3.61Å; I510-I515 HydrophobicContact CG2-CG1 3.87Å; I510-W518 HydrophobicContact CD1-CH2 4.18Å; I510-W518 HydrophobicContact CD1-CZ3 3.95Å; I510-W518 HydrophobicContact CG2-CH2 3.76Å; I510-W518 HydrophobicContact CG2-CZ3 3.7Å
511	S	97.9	Very high	97.9	Very high	56 Å²	56	54.1 Å²	54.1	39%	0.392	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-69.3	144	-177.7	93	0	0	0	0	111.3	E513 S514 I515	S511-E513 PolarHBondContact O-N 3.18Å; S511-E513 PolarHBondContact OG-N 3.23Å; S511-S514 WeakPolarHBondContact O-CB 3.41Å; S511-S514 PolarHBondContact O-N 3.44Å; S511-S514 VanDerWaalsContact O-N 3.07Å; S511-S514 PolarHBondContact OG-N 3.5Å; S511-S514 PolarHBondContact OG-OG 3.06Å; S511-I515 WeakPolarHBondContact O-CG1 3.3Å; S511-I515 PolarHBondContact O-N 3.26Å
512	E	97.1	Very high	97.7	Very high	116 Å²	116	58.3 Å²	58.3	54%	0.542	32%	0.323	S	S	.	.	H	α-helix	trans	-59.3	-30.3	175.1	-177.2	61.7	-157.1	0	0	111.5	Q516	E512-Q516 WeakPolarHBondContact O-CB 3.33Å; E512-Q516 VanDerWaalsContact O-CG 3.27Å; E512-Q516 WeakPolarHBondContact O-CG 3.34Å; E512-Q516 PolarHBondContact O-N 3.08Å; E512-Q516 PolarHBondContact OE1-NE2 2.8Å
513	E	97.4	Very high	97.6	Very high	162 Å²	162	61.1 Å²	61.1	76%	0.757	33%	0.33	S	S	*	.	H	α-helix	trans	-66.1	-44.6	173.4	-175.6	171	-173.7	0	0	111.6	S511 Q516 N517	S511-E513 PolarHBondContact O-N 3.18Å; S511-E513 PolarHBondContact OG-N 3.23Å; E513-Q516 PolarHBondContact O-N 2.84Å; E513-N517 VanDerWaalsContact O-CB 3.29Å; E513-N517 WeakPolarHBondContact O-CB 3.22Å; E513-N517 PolarHBondContact O-N 3.4Å
514	S	97.5	Very high	97.4	Very high	13 Å²	13	62.6 Å²	62.6	9%	0.091	34%	0.338	C	S	.	.	H	α-helix	trans	-62.5	-44.8	174.6	-48.1	0	0	0	0	111.2	E393 S511 N517 W518	E393-S514 VanDerWaalsContact OE1-CB 3.26Å; E393-S514 WeakPolarHBondContact OE1-CB 3.5Å; E393-S514 PolarHBondContact OE1-OG 2.75Å; S511-S514 WeakPolarHBondContact O-CB 3.41Å; S511-S514 PolarHBondContact O-N 3.44Å; S511-S514 VanDerWaalsContact O-N 3.07Å; S511-S514 PolarHBondContact OG-N 3.5Å; S511-S514 PolarHBondContact OG-OG 3.06Å; S514-N517 PolarHBondContact O-N 3.14Å; S514-W518 PolarHBondContact O-N 3.23Å
515	I	98.3	Very high	97.2	Very high	12 Å²	12	62.9 Å²	62.9	6%	0.062	36%	0.359	C	S	.	.	H	α-helix	trans	-61.8	-46.4	176.6	-65	-56.2	0	0	0	111.2	K304 P478 V481 I510 S511 W518 A519	K304-I515 HydrophobicContact CB-CD1 4.34Å; K304-I515 HydrophobicContact CG-CD1 3.81Å; K304-I515 HydrophobicContact CG-CG1 4.11Å; P478-I515 HydrophobicContact CB-CD1 4.29Å; P478-I515 HydrophobicContact CB-CG2 4.1Å; V481-I515 HydrophobicContact CG1-CD1 4.37Å; I510-I515 HydrophobicContact CB-CD1 4.12Å; I510-I515 HydrophobicContact CB-CG1 4.39Å; I510-I515 HydrophobicContact CG2-CD1 3.61Å; I510-I515 HydrophobicContact CG2-CG1 3.87Å; S511-I515 WeakPolarHBondContact O-CG1 3.3Å; S511-I515 PolarHBondContact O-N 3.26Å; I515-W518 HydrophobicContact CD1-CE3 3.93Å; I515-W518 HydrophobicContact CD1-CZ3 3.88Å; I515-W518 PolarHBondContact O-N 2.93Å; I515-A519 VanDerWaalsContact O-CB 3.28Å; I515-A519 WeakPolarHBondContact O-CB 3.24Å; I515-A519 PolarHBondContact O-N 2.89Å
516	Q	97.8	Very high	97.1	Very high	103 Å²	103	67 Å²	67	48%	0.481	38%	0.377	S	S	.	.	H	α-helix	trans	-67.9	-36.3	178	-72.7	-179.1	19.6	0	0	112.3	E512 E513 A519 N520	E512-Q516 WeakPolarHBondContact O-CB 3.33Å; E512-Q516 VanDerWaalsContact O-CG 3.27Å; E512-Q516 WeakPolarHBondContact O-CG 3.34Å; E512-Q516 PolarHBondContact O-N 3.08Å; E512-Q516 PolarHBondContact OE1-NE2 2.8Å; E513-Q516 PolarHBondContact O-N 2.84Å; Q516-A519 PolarHBondContact O-N 2.88Å; Q516-N520 PolarHBondContact O-N 3.43Å; Q516-N520 PolarHBondContact O-ND2 3.31Å
517	N	97.8	Very high	97.1	Very high	82 Å²	82	64.5 Å²	64.5	44%	0.439	37%	0.366	S	S	.	.	H	α-helix	trans	-60.5	-51.1	173.3	-176.5	39.9	0	0	0	111	F397 E513 S514 A519 N520 A521	F397-N517 WeakPolarHBondContact CE2-O 3.41Å; E513-N517 VanDerWaalsContact O-CB 3.29Å; E513-N517 WeakPolarHBondContact O-CB 3.22Å; E513-N517 PolarHBondContact O-N 3.4Å; S514-N517 PolarHBondContact O-N 3.14Å; N517-A519 VanDerWaalsContact C-N 3.3Å; N517-A519 PolarHBondContact O-N 2.87Å; N517-N520 CarbonylContact O-C 3.59Å; N517-N520 PolarHBondContact O-N 3.13Å; N517-A521 PolarHBondContact O-N 3.31Å
518	W	98.4	Very high	97	Very high	4 Å²	4	68.2 Å²	68.2	2%	0.015	38%	0.382	C	S	.	.	H	α-helix	trans	-63.6	-31.6	176.2	-61.5	-22.1	0	0	0	113.5	E393 I396 F400 P478 V481 I510 S514 I515 N520 A521	E393-W518 HydrophobicContact CB-CZ2 4.39Å; E393-W518 HydrophobicContact CG-CZ2 4.24Å; E393-W518 PolarHBondContact O-NE1 3.25Å; E393-W518 VanDerWaalsContact O-NE1 3.09Å; I396-W518 HydrophobicContact CB-CZ2 3.92Å; I396-W518 HydrophobicContact CD1-CH2 3.96Å; I396-W518 HydrophobicContact CD1-CZ2 3.85Å; I396-W518 HydrophobicContact CG2-CD2 3.62Å; I396-W518 VanDerWaalsContact CG2-CE2 3.46Å; I396-W518 HydrophobicContact CG2-CE3 3.89Å; I396-W518 HydrophobicContact CG2-CG 4.22Å; I396-W518 HydrophobicContact CG2-CH2 3.94Å; I396-W518 HydrophobicContact CG2-CZ2 3.66Å; I396-W518 HydrophobicContact CG2-CZ3 4.03Å; F400-W518 HydrophobicContact CD2-CB 3.64Å; F400-W518 HydrophobicContact CD2-CD2 4.34Å; F400-W518 AromaticContact CD2-CG 3.92Å; F400-W518 HydrophobicContact CD2-CG 3.92Å; F400-W518 HydrophobicContact CE2-CB 4.03Å; F400-W518 HydrophobicContact CE2-CD2 4.17Å; F400-W518 HydrophobicContact CE2-CE3 4Å; F400-W518 HydrophobicContact CE2-CG 4.19Å; F400-W518 HydrophobicContact CG-CB 4.38Å; P478-W518 HydrophobicContact CB-CB 4.04Å; P478-W518 HydrophobicContact CB-CE3 4.38Å; P478-W518 HydrophobicContact CG-CB 3.65Å; V481-W518 HydrophobicContact CG1-CZ3 4.08Å; I510-W518 HydrophobicContact CD1-CH2 4.18Å; I510-W518 HydrophobicContact CD1-CZ3 3.95Å; I510-W518 HydrophobicContact CG2-CH2 3.76Å; I510-W518 HydrophobicContact CG2-CZ3 3.7Å; S514-W518 PolarHBondContact O-N 3.23Å; I515-W518 HydrophobicContact CD1-CE3 3.93Å; I515-W518 HydrophobicContact CD1-CZ3 3.88Å; I515-W518 PolarHBondContact O-N 2.93Å; W518-N520 VanDerWaalsContact C-N 3.32Å; W518-A521 VanDerWaalsContact O-CB 3.25Å; W518-A521 WeakPolarHBondContact O-CB 3.42Å; W518-A521 PolarHBondContact O-N 3.1Å
519	A	97.3	Very high	96.9	Very high	62 Å²	62	67 Å²	67	51%	0.512	38%	0.377	S	S	.	.	H	α-helix	trans	-73.3	-25	177.1	0	0	0	0	0	113	P478 I515 Q516 N517	P478-A519 HydrophobicContact CG-CB 4.21Å; I515-A519 VanDerWaalsContact O-CB 3.28Å; I515-A519 WeakPolarHBondContact O-CB 3.24Å; I515-A519 PolarHBondContact O-N 2.89Å; Q516-A519 PolarHBondContact O-N 2.88Å; N517-A519 VanDerWaalsContact C-N 3.3Å; N517-A519 PolarHBondContact O-N 2.87Å
520	N	96.3	Very high	96.8	Very high	127 Å²	127	63.9 Å²	63.9	68%	0.679	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	15	174.1	-70	-71.7	0	0	0	113.1	Q516 N517 W518 D522	Q516-N520 PolarHBondContact O-N 3.43Å; Q516-N520 PolarHBondContact O-ND2 3.31Å; N517-N520 CarbonylContact O-C 3.59Å; N517-N520 PolarHBondContact O-N 3.13Å; W518-N520 VanDerWaalsContact C-N 3.32Å; N520-D522 PolarHBondContact O-N 3.04Å
521	A	95.6	Very high	96.6	Very high	11 Å²	11	70.5 Å²	70.5	9%	0.091	38%	0.382	C	S	.	.			trans	-57	123.4	178.2	0	0	0	0	0	112.1	F397 F400 Q401 N517 W518	F397-A521 HydrophobicContact CD2-CB 4.16Å; F397-A521 HydrophobicContact CE2-CB 3.9Å; F397-A521 HydrophobicContact CZ-CB 4.34Å; F400-A521 HydrophobicContact CB-CB 3.98Å; Q401-A521 HydrophobicContact CG-CB 3.94Å; N517-A521 PolarHBondContact O-N 3.31Å; W518-A521 VanDerWaalsContact O-CB 3.25Å; W518-A521 WeakPolarHBondContact O-CB 3.42Å; W518-A521 PolarHBondContact O-N 3.1Å
522	D	94	Very high	96.3	Very high	97 Å²	97	76 Å²	76	52%	0.519	40%	0.395	S	S	.	.			trans	-96.1	-178.4	-172.2	72.7	-35.7	0	0	0	113.4	Q401 N520 N524	Q401-D522 VanDerWaalsContact CG-O 3.31Å; Q401-D522 WeakPolarHBondContact CG-O 3.37Å; Q401-D522 PolarHBondContact NE2-OD1 3.1Å; N520-D522 PolarHBondContact O-N 3.04Å; D522-N524 PolarHBondContact O-N 3.06Å
523	L	95.9	Very high	96.2	Very high	90 Å²	90	71.2 Å²	71.2	47%	0.471	37%	0.372	S	S	.	.			trans	-85.1	93.7	-177.2	-66.7	175.6	0	0	0	111.8	Q404 K405 T408 G525	Q404-L523 HydrophobicContact CG-CD2 4.39Å; K405-L523 HydrophobicContact CB-CD2 4.32Å; K405-L523 HydrophobicContact CD-CD2 4.44Å; T408-L523 HydrophobicContact CG2-CD1 3.93Å; L523-G525 PolarHBondContact O-N 3.27Å
524	N	95.1	Very high	96	Very high	33 Å²	33	71.9 Å²	71.9	18%	0.176	38%	0.376	C	S	.	.			trans	-67.7	116.1	173	-169.7	-25.3	0	0	0	111.7	Q401 D522 K526 F527	Q401-N524 HydrophobicContact CB-CB 4.39Å; Q401-N524 PolarHBondContact OE1-ND2 2.99Å; D522-N524 PolarHBondContact O-N 3.06Å; N524-K526 PolarHBondContact O-N 3.35Å; N524-K526 VanDerWaalsContact OD1-CB 3.3Å; N524-K526 WeakPolarHBondContact OD1-CB 3.3Å; N524-K526 VanDerWaalsContact OD1-CG 3.32Å; N524-K526 WeakPolarHBondContact OD1-CG 3.44Å; N524-K526 PolarHBondContact OD1-N 3.3Å; N524-K526 VanDerWaalsContact OD1-N 3.09Å; N524-F527 HydrophobicContact CB-CD2 3.73Å; N524-F527 HydrophobicContact CB-CE2 4.02Å; N524-F527 PolarHBondContact O-N 2.93Å
525	G	94.4	Very high	95.9	Very high	72 Å²	72	72 Å²	72	74%	0.742	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-6.1	-179.1	0	0	0	0	0	115.8	L523	L523-G525 PolarHBondContact O-N 3.27Å
526	K	96.8	Very high	95.7	Very high	108 Å²	108	73.6 Å²	73.6	47%	0.47	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-36.4	167.8	-66	-65	-157	99	0	112.3	E354 N524	E354-K526 HydrophobicContact CG-CB 4.41Å; E354-K526 IonicContact OE1-NZ 3.68Å; E354-K526 WeakPolarHBondContact OE2-CD 3.42Å; E354-K526 WeakPolarHBondContact OE2-CE 3.31Å; E354-K526 VanDerWaalsContact OE2-CG 3.25Å; E354-K526 WeakPolarHBondContact OE2-CG 3.47Å; E354-K526 IonicContact OE2-NZ 2.75Å; E354-K526 PolarHBondContact OE2-NZ 2.86Å; N524-K526 PolarHBondContact O-N 3.35Å; N524-K526 VanDerWaalsContact OD1-CB 3.3Å; N524-K526 WeakPolarHBondContact OD1-CB 3.3Å; N524-K526 VanDerWaalsContact OD1-CG 3.32Å; N524-K526 WeakPolarHBondContact OD1-CG 3.44Å; N524-K526 PolarHBondContact OD1-N 3.3Å; N524-K526 VanDerWaalsContact OD1-N 3.09Å
527	F	98.2	Very high	95.7	Very high	4 Å²	4	69 Å²	69	2%	0.018	36%	0.362	C	S	.	.			trans	-81.9	127.9	-172.2	-63.7	-42.8	0	0	0	112.9	G349 L351 E354 H398 Q401 Y402 K405 N524	G349-F527 WeakPolarHBondContact O-CA 3.46Å; L351-F527 HydrophobicContact CD1-CE1 4.36Å; L351-F527 HydrophobicContact CD1-CZ 4.08Å; E354-F527 HydrophobicContact CB-CD1 4.47Å; E354-F527 HydrophobicContact CB-CE1 3.61Å; E354-F527 HydrophobicContact CB-CZ 4.15Å; E354-F527 HydrophobicContact CG-CE1 4.25Å; E354-F527 HydrophobicContact CG-CZ 4.35Å; H398-F527 HydrophobicContact CB-CE2 4.39Å; H398-F527 HydrophobicContact CB-CZ 4.1Å; H398-F527 AromaticContact CD2-CZ 3.91Å; H398-F527 WeakPolarHBondContact O-CE2 3.41Å; Q401-F527 HydrophobicContact CB-CD2 4.12Å; Q401-F527 HydrophobicContact CB-CE2 3.84Å; Y402-F527 HydrophobicContact CD2-CB 3.83Å; Y402-F527 AromaticContact CD2-CD1 3.68Å; Y402-F527 HydrophobicContact CD2-CD1 3.68Å; Y402-F527 HydrophobicContact CD2-CD2 4.25Å; Y402-F527 HydrophobicContact CD2-CE1 4.29Å; Y402-F527 AromaticContact CD2-CG 3.67Å; Y402-F527 HydrophobicContact CD2-CG 3.67Å; Y402-F527 HydrophobicContact CE2-CB 4.32Å; Y402-F527 HydrophobicContact CE2-CD1 4.35Å; Y402-F527 HydrophobicContact CE2-CG 4.49Å; K405-F527 WeakPolarHBondContact CE-O 3.13Å; K405-F527 HydrophobicContact CG-CB 4.39Å; N524-F527 HydrophobicContact CB-CD2 3.73Å; N524-F527 HydrophobicContact CB-CE2 4.02Å; N524-F527 PolarHBondContact O-N 2.93Å
528	K	97.1	Very high	95.5	Very high	130 Å²	130	70 Å²	70	57%	0.565	37%	0.371	S	S	*	.			trans	-134.1	154.9	179.3	-63.5	178.5	-175.2	174.6	0	108.8	G349	G349-K528 PolarHBondContact O-N 2.67Å
529	L	96.3	Very high	95.4	Very high	30 Å²	30	72.5 Å²	72.5	16%	0.157	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-68.5	157.4	163	-58.5	-178	0	0	0	109	L406 E409 Q412	L406-L529 HydrophobicContact CD2-CD2 3.47Å; L406-L529 VanDerWaalsContact CD2-CD2 3.47Å; E409-L529 HydrophobicContact CB-CD1 3.94Å; E409-L529 HydrophobicContact CG-CD1 3.99Å; E409-L529 HydrophobicContact CG-CG 4.28Å; Q412-L529 HydrophobicContact CG-CD1 3.69Å
530	P	95.4	Very high	95.4	Very high	11 Å²	11	72 Å²	72	7%	0.071	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-53	157.2	172.5	-27	36.5	0	0	0	112.8	L342 H345 W414	L342-P530 HydrophobicContact CD2-CG 3.86Å; H345-P530 VanDerWaalsContact CD2-CG 3.5Å; H345-P530 WeakPolarHBondContact CD2-CG 3.25Å; W414-P530 VanDerWaalsContact CH2-O 3.32Å; W414-P530 WeakPolarHBondContact CH2-O 3.35Å
531	M	93.6	Very high	95.5	Very high	157 Å²	157	71.2 Å²	71.2	77%	0.773	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-84.7	156.8	160.5	-59.2	-174.8	-61.7	0	0	108.6	N533	M531-N533 PolarHBondContact O-N 2.78Å
532	R	92.9	Very high	95.6	Very high	173 Å²	173	73.6 Å²	73.6	65%	0.653	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-53.2	138.1	173.2	-77.4	-177.1	172.8	-129.2	-3.3	111	W414 E418 E534	W414-R532 HydrophobicContact CE3-CG 3.72Å; W414-R532 HydrophobicContact CH2-CG 4.46Å; W414-R532 HydrophobicContact CZ3-CB 4.45Å; W414-R532 HydrophobicContact CZ3-CG 3.65Å; E418-R532 WeakPolarHBondContact OE2-CA 3.18Å; R532-E534 PolarHBondContact O-N 3.42Å; R532-E534 VanDerWaalsContact O-N 3.12Å
533	N	93.9	Very high	95.7	Very high	14 Å²	14	72.4 Å²	72.4	8%	0.075	36%	0.362	C	S	.	.			trans	-75.3	103.9	-171.2	-177.3	-9.1	0	0	0	112.3	E418 M531 F535 I536 A615	E418-N533 WeakPolarHBondContact OE1-CB 3.2Å; E418-N533 PolarHBondContact OE1-N 3.03Å; E418-N533 PolarHBondContact OE2-N 2.92Å; M531-N533 PolarHBondContact O-N 2.78Å; N533-F535 PolarHBondContact O-N 3.44Å; N533-F535 VanDerWaalsContact O-N 3.13Å; N533-F535 WeakPolarHBondContact OD1-CA 3.31Å; N533-F535 WeakPolarHBondContact OD1-CB 3.36Å; N533-F535 PolarHBondContact OD1-N 3.35Å; N533-I536 HydrophobicContact CB-CD1 4.03Å; N533-I536 HydrophobicContact CB-CG1 3.91Å; N533-I536 VanDerWaalsContact O-CD1 3.3Å; N533-I536 WeakPolarHBondContact O-CD1 3.31Å; N533-I536 VanDerWaalsContact O-CG1 3.25Å; N533-I536 WeakPolarHBondContact O-CG1 3.47Å; N533-I536 PolarHBondContact O-N 3.09Å; N533-A615 PolarHBondContact ND2-O 3.42Å; N533-A615 PolarHBondContact OD1-O 3.37Å
534	E	92.8	Very high	95.7	Very high	177 Å²	177	73 Å²	73	83%	0.827	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.9	178.5	-63.3	-168.8	167.7	0	0	113.9	R532 K642	R532-E534 PolarHBondContact O-N 3.42Å; R532-E534 VanDerWaalsContact O-N 3.12Å; E534-K642 PolarHBondContact O-NZ 2.95Å
535	F	95.8	Very high	95.7	Very high	15 Å²	15	75.2 Å²	75.2	7%	0.066	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-7.8	178.6	-81.9	-77.4	0	0	0	115.4	N533 P537 Y612 A615 A616 A619 L621 K642 L646	N533-F535 PolarHBondContact O-N 3.44Å; N533-F535 VanDerWaalsContact O-N 3.13Å; N533-F535 WeakPolarHBondContact OD1-CA 3.31Å; N533-F535 WeakPolarHBondContact OD1-CB 3.36Å; N533-F535 PolarHBondContact OD1-N 3.35Å; F535-P537 VanDerWaalsContact O-N 3.12Å; F535-Y612 HydrophobicContact CE2-CD1 4.41Å; F535-Y612 AromaticContact CE2-CE1 3.88Å; F535-Y612 HydrophobicContact CE2-CE1 3.88Å; F535-Y612 HydrophobicContact CE2-CE2 4.19Å; F535-Y612 AromaticContact CE2-CZ 3.76Å; F535-Y612 HydrophobicContact CZ-CD1 4.46Å; F535-Y612 AromaticContact CZ-CE1 3.59Å; F535-Y612 HydrophobicContact CZ-CE1 3.59Å; F535-Y612 HydrophobicContact CZ-CE2 4.42Å; F535-Y612 AromaticContact CZ-CZ 3.57Å; F535-Y612 WeakPolarHBondContact CZ-OH 3.42Å; F535-A615 HydrophobicContact CD2-CB 4.01Å; F535-A616 HydrophobicContact CB-CB 4.19Å; F535-A616 HydrophobicContact CD1-CB 3.75Å; F535-A616 HydrophobicContact CD2-CB 3.81Å; F535-A616 HydrophobicContact CE1-CB 3.99Å; F535-A616 HydrophobicContact CE2-CB 4.03Å; F535-A616 HydrophobicContact CG-CB 3.65Å; F535-A616 HydrophobicContact CZ-CB 4.11Å; F535-A619 VanDerWaalsContact C-CB 3.46Å; F535-A619 HydrophobicContact CB-CB 3.71Å; F535-A619 WeakPolarHBondContact O-CB 3.09Å; F535-L621 HydrophobicContact CD1-CD2 4.09Å; F535-L621 HydrophobicContact CE1-CD2 4.34Å; F535-K642 HydrophobicContact CD1-CB 4.09Å; F535-K642 HydrophobicContact CD1-CD 4.49Å; F535-K642 WeakPolarHBondContact O-CD 3.4Å; F535-L646 HydrophobicContact CE1-CB 4.16Å
536	I	95.2	Very high	95.5	Very high	45 Å²	45	75.1 Å²	75.1	23%	0.231	36%	0.363	C	S	.	.			trans	-50.7	121.7	178.1	-61.9	160.3	0	0	0	109.6	E418 L422 N533 K642	E418-I536 HydrophobicContact CG-CD1 3.69Å; L422-I536 HydrophobicContact CD2-CG1 4.05Å; L422-I536 HydrophobicContact CD2-CG2 4.37Å; L422-I536 HydrophobicContact CG-CG1 4.47Å; N533-I536 HydrophobicContact CB-CD1 4.03Å; N533-I536 HydrophobicContact CB-CG1 3.91Å; N533-I536 VanDerWaalsContact O-CD1 3.3Å; N533-I536 WeakPolarHBondContact O-CD1 3.31Å; N533-I536 VanDerWaalsContact O-CG1 3.25Å; N533-I536 WeakPolarHBondContact O-CG1 3.47Å; N533-I536 PolarHBondContact O-N 3.09Å; I536-K642 PolarHBondContact O-NZ 2.78Å
537	P	96.4	Very high	95.2	Very high	8 Å²	8	78.4 Å²	78.4	5%	0.052	38%	0.378	C	S	.	.			trans	-69.2	143.2	-179	29.3	-36.5	0	0	0	110.9	V425 F535 F540 Y639 D641	V425-P537 HydrophobicContact CG1-CG 4.16Å; F535-P537 VanDerWaalsContact O-N 3.12Å; P537-F540 HydrophobicContact CB-CE1 3.69Å; P537-F540 HydrophobicContact CB-CZ 3.93Å; P537-F540 HydrophobicContact CG-CE1 3.73Å; P537-F540 HydrophobicContact CG-CZ 3.83Å; P537-F540 VanDerWaalsContact O-CZ 3.23Å; P537-F540 WeakPolarHBondContact O-CZ 3.44Å; P537-Y639 HydrophobicContact CB-CD2 4.32Å; P537-Y639 HydrophobicContact CB-CG 4.07Å; P537-Y639 HydrophobicContact CG-CD2 3.69Å; P537-Y639 HydrophobicContact CG-CE2 4.19Å; P537-Y639 HydrophobicContact CG-CG 3.88Å; P537-D641 HydrophobicContact CB-CB 4.33Å
538	T	94.8	Very high	94.4	Very high	103 Å²	103	84.2 Å²	84.2	63%	0.632	41%	0.409	S	S	*	.			trans	-129.2	-34.2	-176.9	53.4	0	0	0	0	112.1	D641	T538-D641 PolarHBondContact N-OD2 2.96Å; T538-D641 PolarHBondContact OG1-OD2 3.34Å
539	N	96.3	Very high	93.9	Very high	55 Å²	55	80.7 Å²	80.7	29%	0.294	40%	0.399	S	S	.	.			trans	-85.9	118.1	169.9	-168.8	1.5	0	0	0	110.9	E541 D641	N539-E541 VanDerWaalsContact OD1-CB 3.24Å; N539-E541 WeakPolarHBondContact OD1-CB 3.09Å; N539-E541 PolarHBondContact OD1-N 3.02Å; N539-D641 HydrophobicContact CB-CB 4.28Å; N539-D641 WeakPolarHBondContact CB-OD1 3.45Å; N539-D641 PolarHBondContact N-OD2 3.5Å
540	F	97.3	Very high	93.7	Very high	51 Å²	51	81.8 Å²	81.8	22%	0.224	41%	0.408	C	S	.	.			trans	-121.9	21.2	174.5	-54	-70.8	0	0	0	112.3	V425 F429 P537 I542 P575 Y639	V425-F540 HydrophobicContact CB-CZ 4.45Å; V425-F540 HydrophobicContact CG1-CE1 3.67Å; V425-F540 HydrophobicContact CG1-CZ 3.63Å; V425-F540 HydrophobicContact CG2-CE2 4.4Å; V425-F540 HydrophobicContact CG2-CZ 3.85Å; F429-F540 AromaticContact CD2-CD1 3.95Å; F429-F540 HydrophobicContact CD2-CD1 3.95Å; F429-F540 HydrophobicContact CD2-CE1 4.05Å; F429-F540 HydrophobicContact CE2-CB 4.04Å; F429-F540 AromaticContact CE2-CD1 3.32Å; F429-F540 HydrophobicContact CE2-CD1 3.32Å; F429-F540 HydrophobicContact CE2-CD2 4.13Å; F429-F540 AromaticContact CE2-CE1 3.66Å; F429-F540 HydrophobicContact CE2-CE1 3.66Å; F429-F540 HydrophobicContact CE2-CE2 4.42Å; F429-F540 AromaticContact CE2-CG 3.57Å; F429-F540 HydrophobicContact CE2-CG 3.57Å; F429-F540 HydrophobicContact CE2-CZ 4.2Å; F429-F540 HydrophobicContact CZ-CB 3.73Å; F429-F540 AromaticContact CZ-CD1 3.92Å; F429-F540 HydrophobicContact CZ-CD1 3.92Å; F429-F540 HydrophobicContact CZ-CD2 4.47Å; F429-F540 AromaticContact CZ-CG 3.8Å; F429-F540 HydrophobicContact CZ-CG 3.8Å; P537-F540 HydrophobicContact CB-CE1 3.69Å; P537-F540 HydrophobicContact CB-CZ 3.93Å; P537-F540 HydrophobicContact CG-CE1 3.73Å; P537-F540 HydrophobicContact CG-CZ 3.83Å; P537-F540 VanDerWaalsContact O-CZ 3.23Å; P537-F540 WeakPolarHBondContact O-CZ 3.44Å; F540-I542 PolarHBondContact O-N 2.9Å; F540-P575 HydrophobicContact CB-CB 4.13Å; F540-P575 HydrophobicContact CB-CG 4.1Å; F540-P575 HydrophobicContact CD1-CB 4.13Å; F540-P575 HydrophobicContact CD1-CG 3.71Å; F540-P575 HydrophobicContact CG-CG 4.38Å; F540-Y639 HydrophobicContact CE1-CD1 4.23Å; F540-Y639 HydrophobicContact CE1-CE1 4.46Å
541	E	97.3	Very high	93.5	Very high	111 Å²	111	85 Å²	85	52%	0.519	43%	0.431	S	S	.	.			trans	-62.1	127.1	173.9	-175.5	176.2	-172.9	0	0	110.5	N539 N737	N539-E541 VanDerWaalsContact OD1-CB 3.24Å; N539-E541 WeakPolarHBondContact OD1-CB 3.09Å; N539-E541 PolarHBondContact OD1-N 3.02Å; E541-N737 PolarHBondContact O-ND2 2.75Å
542	I	97.9	Very high	93.6	Very high	61 Å²	61	79.7 Å²	79.7	31%	0.313	41%	0.407	S	S	.	.			trans	-87.1	112.7	169.2	-52.9	-54	0	0	0	107.2	F540 F573 L574 P575 N737	F540-I542 PolarHBondContact O-N 2.9Å; I542-F573 VanDerWaalsContact CD1-O 3.24Å; I542-F573 WeakPolarHBondContact CD1-O 3.36Å; I542-F573 HydrophobicContact CG2-CB 4.36Å; I542-F573 HydrophobicContact CG2-CD1 4.22Å; I542-L574 VanDerWaalsContact CD1-C 3.46Å; I542-P575 HydrophobicContact CD1-CB 3.97Å; I542-N737 WeakPolarHBondContact CA-OD1 3.48Å
543	Y	96.1	Very high	93.8	Very high	72 Å²	72	71.7 Å²	71.7	28%	0.282	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-61.6	133.5	-179.1	-69.8	-65.8	0	0	0	110.1	L545 Q568 N737 T739	Y543-L545 PolarHBondContact O-N 3.06Å; Y543-Q568 PolarHBondContact O-NE2 2.88Å; Y543-N737 PolarHBondContact N-OD1 2.9Å; Y543-T739 HydrophobicContact CD1-CG2 4.44Å; Y543-T739 HydrophobicContact CG-CG2 4.28Å
544	P	95.4	Very high	93.9	Very high	103 Å²	103	73.4 Å²	73.4	67%	0.669	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-52.1	140.9	172.7	-26.7	34.9	0	0	0	111.2	E546 Q568	P544-E546 PolarHBondContact O-N 2.98Å; P544-Q568 PolarHBondContact O-NE2 3.27Å
545	L	95.1	Very high	94.2	Very high	79 Å²	79	68.3 Å²	68.3	41%	0.414	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-57.9	129.7	174.2	-72.9	173.5	0	0	0	110.1	Y543 P549 Q568 D569 F573	Y543-L545 PolarHBondContact O-N 3.06Å; L545-P549 HydrophobicContact CB-CG 4.41Å; L545-Q568 HydrophobicContact CD2-CG 4.2Å; L545-D569 WeakPolarHBondContact CD2-O 3.13Å; L545-F573 HydrophobicContact CD1-CE1 4.33Å; L545-F573 HydrophobicContact CG-CE1 4.49Å
546	E	91.6	Very high	94.3	Very high	70 Å²	70	69 Å²	69	33%	0.327	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-56.9	151.3	170.1	-74.3	-177.6	-165.4	0	0	110.4	P544 D548 P549 K740	P544-E546 PolarHBondContact O-N 2.98Å; E546-D548 PolarHBondContact O-N 3.44Å; E546-P549 VanDerWaalsContact O-CD 3.24Å; E546-P549 WeakPolarHBondContact O-CD 3.28Å; E546-K740 VanDerWaalsContact OE1-CB 3.25Å; E546-K740 WeakPolarHBondContact OE1-CB 3.41Å; E546-K740 PolarHBondContact OE1-N 2.75Å; E546-K740 WeakPolarHBondContact OE2-CB 3.43Å
547	K	88.8	Confident	94.4	Very high	178 Å²	178	68.5 Å²	68.5	77%	0.774	37%	0.367	S	S	*	.	S	Bend	trans	-64.1	129.1	-174.5	-167	-159	171.3	-121.9	0	110.8
548	D	82.1	Confident	94.5	Very high	126 Å²	126	73.2 Å²	73.2	67%	0.674	39%	0.392	S	S	*	.	S	Bend	trans	55.4	58	179.7	-50.8	-41.6	0	0	0	112.3	E546	E546-D548 PolarHBondContact O-N 3.44Å
549	P	87.1	Confident	94.7	Very high	55 Å²	55	71 Å²	71	36%	0.357	38%	0.379	S	S	.	.			trans	-75.2	143.5	-167.1	32.8	-34.1	0	0	0	111.8	L545 E546	L545-P549 HydrophobicContact CB-CG 4.41Å; E546-P549 VanDerWaalsContact O-CD 3.24Å; E546-P549 WeakPolarHBondContact O-CD 3.28Å
550	P	91.1	Very high	94.7	Very high	53 Å²	53	71.2 Å²	71.2	34%	0.344	39%	0.387	S	S	.	.			trans	-75.9	134.3	-178	31.4	-35.5	0	0	0	112.1	V552 T554	P550-V552 PolarHBondContact O-N 2.95Å; P550-T554 HydrophobicContact CB-CG2 3.54Å; P550-T554 HydrophobicContact CG-CG2 3.61Å
551	S	91.1	Very high	94.8	Very high	78 Å²	78	69.6 Å²	69.6	55%	0.545	38%	0.381	S	S	.	.	S	Bend	trans	-71.2	-9.9	-179.8	55.9	0	0	0	0	114.9	Y912	S551-Y912 PolarHBondContact O-OH 3.12Å
552	V	95.6	Very high	94.8	Very high	47 Å²	47	64.3 Å²	64.3	29%	0.285	36%	0.356	S	S	.	.	S	Bend	trans	-136.5	160.5	179	-64.2	0	0	0	0	110	P550 T554 F923	P550-V552 PolarHBondContact O-N 2.95Å; V552-T554 PolarHBondContact O-N 3.32Å; V552-F923 HydrophobicContact CB-CB 3.82Å; V552-F923 HydrophobicContact CB-CD2 4.32Å; V552-F923 HydrophobicContact CB-CG 4.35Å; V552-F923 HydrophobicContact CG1-CB 3.83Å; V552-F923 HydrophobicContact CG2-CB 4.45Å; V552-F923 HydrophobicContact CG2-CD2 4.49Å
553	P	97.8	Very high	94.9	Very high	4 Å²	4	62.7 Å²	62.7	3%	0.026	35%	0.347	C	S	.	.			trans	-59.2	135.2	179.4	-23	33.4	0	0	0	113	W565 F566 K567 L733 Y912 F923	P553-W565 HydrophobicContact CB-CB 4.22Å; P553-W565 HydrophobicContact CB-CE3 4.48Å; P553-F566 WeakPolarHBondContact CA-O 3.26Å; P553-K567 HydrophobicContact CB-CB 4.46Å; P553-K567 HydrophobicContact CG-CB 4.33Å; P553-L733 HydrophobicContact CB-CD1 4.05Å; P553-L733 HydrophobicContact CG-CD1 4.06Å; P553-Y912 HydrophobicContact CG-CD1 3.86Å; P553-Y912 HydrophobicContact CG-CD2 3.51Å; P553-Y912 HydrophobicContact CG-CE1 4.21Å; P553-Y912 HydrophobicContact CG-CE2 3.89Å; P553-Y912 HydrophobicContact CG-CG 3.49Å; P553-Y912 VanDerWaalsContact CG-CG 3.49Å; P553-F923 HydrophobicContact CB-CE2 4.15Å; P553-F923 HydrophobicContact CB-CZ 4.08Å; P553-F923 HydrophobicContact CG-CD1 4.44Å; P553-F923 HydrophobicContact CG-CE1 4.24Å; P553-F923 HydrophobicContact CG-CE2 4.5Å; P553-F923 HydrophobicContact CG-CZ 4.27Å; P553-F923 WeakPolarHBondContact O-CE2 3.2Å
554	T	97.1	Very high	95	Very high	51 Å²	51	59.3 Å²	59.3	31%	0.313	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	146.3	176.3	54.9	0	0	0	0	110.7	P550 V552 I556 W565 F566	P550-T554 HydrophobicContact CB-CG2 3.54Å; P550-T554 HydrophobicContact CG-CG2 3.61Å; V552-T554 PolarHBondContact O-N 3.32Å; T554-I556 PolarHBondContact O-N 3.3Å; T554-W565 CarbonylContact O-C 3.55Å; T554-W565 WeakPolarHBondContact O-CA 3.42Å; T554-F566 PolarHBondContact N-O 3.08Å; T554-F566 PolarHBondContact O-N 2.9Å; T554-F566 PolarHBondContact OG1-O 3.46Å
555	L	98.1	Very high	95.1	Very high	69 Å²	69	55.4 Å²	55.4	36%	0.361	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	108.6	175.8	179.2	55.2	0	0	0	109	K557 D558 K563 V564 W565	L555-K557 WeakPolarHBondContact CD1-O 3.25Å; L555-D558 HydrophobicContact CD1-CB 4.14Å; L555-D558 HydrophobicContact CD2-CB 4.01Å; L555-D558 HydrophobicContact CG-CB 4.16Å; L555-K563 HydrophobicContact CD1-CG 3.6Å; L555-V564 WeakPolarHBondContact CA-O 3.33Å; L555-W565 HydrophobicContact CB-CE3 4.02Å; L555-W565 HydrophobicContact CB-CH2 4.18Å; L555-W565 HydrophobicContact CB-CZ3 3.83Å
556	I	97.8	Very high	95.3	Very high	30 Å²	30	51.9 Å²	51.9	15%	0.154	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-16.9	-172.4	61.6	161.2	0	0	0	114.5	T554 V564 F566 K740 A743 L744	T554-I556 PolarHBondContact O-N 3.3Å; I556-V564 HydrophobicContact CD1-CG1 4.11Å; I556-V564 HydrophobicContact CG1-CB 4.1Å; I556-V564 HydrophobicContact CG1-CG1 3.87Å; I556-V564 WeakPolarHBondContact CG1-O 3.46Å; I556-V564 PolarHBondContact N-O 2.86Å; I556-F566 HydrophobicContact CD1-CB 3.41Å; I556-F566 VanDerWaalsContact CD1-CB 3.41Å; I556-F566 HydrophobicContact CD1-CD1 4.43Å; I556-F566 HydrophobicContact CD1-CG 3.93Å; I556-F566 HydrophobicContact CG1-CB 3.77Å; I556-F566 HydrophobicContact CG2-CB 3.99Å; I556-F566 HydrophobicContact CG2-CD1 4.38Å; I556-K740 HydrophobicContact CD1-CG 4.11Å; I556-K740 HydrophobicContact CG2-CD 4.27Å; I556-K740 HydrophobicContact CG2-CG 4.38Å; I556-A743 HydrophobicContact CD1-CB 4.22Å; I556-L744 HydrophobicContact CD1-CD2 3.79Å; I556-L744 HydrophobicContact CD1-CG 3.93Å; I556-L744 HydrophobicContact CG1-CD2 4.16Å
557	K	98.3	Very high	95.6	Very high	35 Å²	35	48.6 Å²	48.6	15%	0.152	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	126.4	171.8	179.2	179.4	-177	-172.2	0	107.8	L555 T559 S562 K563 V564 L744 E751	L555-K557 WeakPolarHBondContact CD1-O 3.25Å; K557-T559 HydrophobicContact CG-CG2 3.92Å; K557-S562 VanDerWaalsContact CE-OG 3.23Å; K557-S562 WeakPolarHBondContact CE-OG 3.41Å; K557-K563 CarbonylContact O-C 3.59Å; K557-K563 WeakPolarHBondContact O-CA 3.21Å; K557-V564 HydrophobicContact CB-CB 4.01Å; K557-V564 HydrophobicContact CB-CG2 3.79Å; K557-V564 HydrophobicContact CD-CG2 4.23Å; K557-V564 HydrophobicContact CG-CG2 4.31Å; K557-V564 PolarHBondContact O-N 3.43Å; K557-L744 HydrophobicContact CB-CD2 3.95Å; K557-L744 HydrophobicContact CD-CD2 4.49Å; K557-E751 IonicContact NZ-OE1 2.7Å; K557-E751 PolarHBondContact NZ-OE1 3.27Å; K557-E751 IonicContact NZ-OE2 2.95Å; K557-E751 PolarHBondContact NZ-OE2 2.99Å
558	D	98.2	Very high	96.1	Very high	106 Å²	106	40.6 Å²	40.6	57%	0.567	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	110.4	177.6	-165.2	16.9	0	0	0	108.2	L555	L555-D558 HydrophobicContact CD1-CB 4.14Å; L555-D558 HydrophobicContact CD2-CB 4.01Å; L555-D558 HydrophobicContact CG-CB 4.16Å
559	T	98.3	Very high	96.8	Very high	58 Å²	58	35 Å²	35	36%	0.356	21%	0.207	S	C	.	.			trans	-141.5	169.8	-175.9	82.1	0	0	0	0	110	K557 M561 S562	K557-T559 HydrophobicContact CG-CG2 3.92Å; T559-M561 PolarHBondContact O-N 2.99Å; T559-M561 PolarHBondContact OG1-N 3.39Å; T559-M561 VanDerWaalsContact OG1-N 3.13Å; T559-S562 PolarHBondContact N-O 3.04Å; T559-S562 PolarHBondContact O-N 2.91Å; T559-S562 PolarHBondContact OG1-N 2.74Å; T559-S562 PolarHBondContact OG1-O 3.18Å; T559-S562 PolarHBondContact OG1-OG 2.78Å
560	A	97.3	Very high	97.3	Very high	58 Å²	58	34.5 Å²	34.5	48%	0.479	20%	0.201	S	C	.	.	S	Bend	trans	-59.7	-30.6	173.4	0	0	0	0	0	112.7	H729 P762	A560-H729 PolarHBondContact O-ND1 2.68Å; A560-P762 VanDerWaalsContact C-CB 3.48Å; A560-P762 HydrophobicContact CB-CB 3.6Å; A560-P762 HydrophobicContact CB-CG 4.07Å; A560-P762 WeakPolarHBondContact O-CB 3.27Å
561	M	98.1	Very high	97.5	Very high	18 Å²	18	36.7 Å²	36.7	9%	0.089	21%	0.205	C	C	.	.	S	Bend	trans	-83.4	-42.7	178.5	-173.6	66.2	88.2	0	0	112.3	T559 H729 I730 E751 I755 T760 P762	T559-M561 PolarHBondContact O-N 2.99Å; T559-M561 PolarHBondContact OG1-N 3.39Å; T559-M561 VanDerWaalsContact OG1-N 3.13Å; M561-H729 CarbonylContact O-C 3.55Å; M561-H729 WeakPolarHBondContact O-CA 3.07Å; M561-H729 PolarHBondContact O-ND1 2.8Å; M561-I730 PolarHBondContact O-N 2.64Å; M561-E751 HydrophobicContact CG-CG 4Å; M561-I755 HydrophobicContact CE-CD1 4.26Å; M561-I755 HydrophobicContact CE-CG1 4.19Å; M561-T760 HydrophobicContact CE-CG2 3.94Å; M561-T760 WeakPolarHBondContact CE-O 3.39Å; M561-T760 HydrophobicContact SD-CG2 4Å; M561-P762 HydrophobicContact CB-CB 4.49Å
562	S	98.3	Very high	97.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	137.8	-158.8	67.3	0	0	0	0	112.2	K557 T559 I730 E751	K557-S562 VanDerWaalsContact CE-OG 3.23Å; K557-S562 WeakPolarHBondContact CE-OG 3.41Å; T559-S562 PolarHBondContact N-O 3.04Å; T559-S562 PolarHBondContact O-N 2.91Å; T559-S562 PolarHBondContact OG1-N 2.74Å; T559-S562 PolarHBondContact OG1-O 3.18Å; T559-S562 PolarHBondContact OG1-OG 2.78Å; S562-I730 CarbonylContact C-O 3.48Å; S562-I730 WeakPolarHBondContact CA-O 3.12Å; S562-E751 WeakPolarHBondContact CB-OE1 3.35Å; S562-E751 PolarHBondContact OG-OE1 3.2Å
563	K	98.6	Very high	97.9	Very high	27 Å²	27	37.3 Å²	37.3	12%	0.117	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	110.6	173.3	-170.8	173.3	171.3	-125.4	0	110.2	L555 K557 I730 E731 A732 Y921	L555-K563 HydrophobicContact CD1-CG 3.6Å; K557-K563 CarbonylContact O-C 3.59Å; K557-K563 WeakPolarHBondContact O-CA 3.21Å; K563-I730 PolarHBondContact N-O 2.83Å; K563-E731 HydrophobicContact CB-CG 4.32Å; K563-E731 WeakPolarHBondContact CD-OE1 3.39Å; K563-E731 IonicContact NZ-OE1 3.44Å; K563-E731 PolarHBondContact NZ-OE1 2.74Å; K563-E731 CarbonylContact O-C 2.92Å; K563-E731 WeakPolarHBondContact O-CA 3.43Å; K563-A732 PolarHBondContact O-N 3.3Å; K563-Y921 PolarHBondContact NZ-OH 2.88Å
564	V	98.8	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	112.5	-163	-171	0	0	0	0	111.4	L555 I556 K557 L734 M747	L555-V564 WeakPolarHBondContact CA-O 3.33Å; I556-V564 HydrophobicContact CD1-CG1 4.11Å; I556-V564 HydrophobicContact CG1-CB 4.1Å; I556-V564 HydrophobicContact CG1-CG1 3.87Å; I556-V564 WeakPolarHBondContact CG1-O 3.46Å; I556-V564 PolarHBondContact N-O 2.86Å; K557-V564 HydrophobicContact CB-CB 4.01Å; K557-V564 HydrophobicContact CB-CG2 3.79Å; K557-V564 HydrophobicContact CD-CG2 4.23Å; K557-V564 HydrophobicContact CG-CG2 4.31Å; K557-V564 PolarHBondContact O-N 3.43Å; V564-L734 HydrophobicContact CG1-CD1 3.91Å; V564-M747 HydrophobicContact CG2-CB 4.2Å; V564-M747 HydrophobicContact CG2-CG 3.54Å; V564-M747 HydrophobicContact CG2-SD 3.94Å
565	W	98.8	Very high	97.9	Very high	22 Å²	22	35.6 Å²	35.6	8%	0.083	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	132.5	169.7	-59.4	95.5	0	0	0	110	P553 T554 L555 E731 A732 L733 L734 I916 Y921 F923	P553-W565 HydrophobicContact CB-CB 4.22Å; P553-W565 HydrophobicContact CB-CE3 4.48Å; T554-W565 CarbonylContact O-C 3.55Å; T554-W565 WeakPolarHBondContact O-CA 3.42Å; L555-W565 HydrophobicContact CB-CE3 4.02Å; L555-W565 HydrophobicContact CB-CH2 4.18Å; L555-W565 HydrophobicContact CB-CZ3 3.83Å; W565-E731 PolarHBondContact NE1-OE1 2.89Å; W565-A732 WeakPolarHBondContact CB-O 3.03Å; W565-A732 PolarHBondContact N-O 3.49Å; W565-L733 HydrophobicContact CB-CD1 3.91Å; W565-L733 WeakPolarHBondContact O-CA 3.43Å; W565-L734 PolarHBondContact O-N 3.44Å; W565-I916 HydrophobicContact CB-CD1 3.78Å; W565-I916 HydrophobicContact CD2-CD1 4.31Å; W565-I916 HydrophobicContact CD2-CG1 4.41Å; W565-I916 HydrophobicContact CG-CD1 3.61Å; W565-I916 HydrophobicContact CG-CG1 4.1Å; W565-Y921 AromaticContact CE2-CD1 3.86Å; W565-Y921 AromaticContact CE2-CE1 3.84Å; W565-Y921 AromaticContact CH2-CD1 3.93Å; W565-Y921 HydrophobicContact CH2-CD1 3.93Å; W565-Y921 HydrophobicContact CH2-CE1 4.49Å; W565-Y921 HydrophobicContact CH2-CG 4.32Å; W565-Y921 AromaticContact CZ2-CD1 3.28Å; W565-Y921 HydrophobicContact CZ2-CD1 3.28Å; W565-Y921 AromaticContact CZ2-CE1 3.46Å; W565-Y921 HydrophobicContact CZ2-CE1 3.46Å; W565-Y921 VanDerWaalsContact CZ2-CE1 3.46Å; W565-Y921 HydrophobicContact CZ2-CG 4.02Å; W565-Y921 AromaticContact NE1-CE1 3.81Å; W565-F923 HydrophobicContact CD2-CZ 4.23Å; W565-F923 AromaticContact CE3-CE2 3.81Å; W565-F923 HydrophobicContact CE3-CE2 3.81Å; W565-F923 AromaticContact CE3-CZ 3.89Å; W565-F923 HydrophobicContact CE3-CZ 3.89Å; W565-F923 HydrophobicContact CH2-CE2 4.26Å; W565-F923 HydrophobicContact CH2-CZ 4.49Å; W565-F923 AromaticContact CZ3-CE2 3.64Å; W565-F923 HydrophobicContact CZ3-CE2 3.64Å; W565-F923 HydrophobicContact CZ3-CZ 4.05Å
566	F	98.6	Very high	98	Very high	5 Å²	5	33.9 Å²	33.9	2%	0.022	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.6	-178.9	169.7	-101.5	0	0	0	112.4	P553 T554 I556 Q568 L734 I738 K740 A743	P553-F566 WeakPolarHBondContact CA-O 3.26Å; T554-F566 PolarHBondContact N-O 3.08Å; T554-F566 PolarHBondContact O-N 2.9Å; T554-F566 PolarHBondContact OG1-O 3.46Å; I556-F566 HydrophobicContact CD1-CB 3.41Å; I556-F566 VanDerWaalsContact CD1-CB 3.41Å; I556-F566 HydrophobicContact CD1-CD1 4.43Å; I556-F566 HydrophobicContact CD1-CG 3.93Å; I556-F566 HydrophobicContact CG1-CB 3.77Å; I556-F566 HydrophobicContact CG2-CB 3.99Å; I556-F566 HydrophobicContact CG2-CD1 4.38Å; F566-Q568 HydrophobicContact CZ-CB 4.07Å; F566-L734 WeakPolarHBondContact CA-O 2.96Å; F566-L734 HydrophobicContact CD2-CB 4.48Å; F566-L734 WeakPolarHBondContact CD2-O 3.48Å; F566-I738 HydrophobicContact CE2-CD1 4.17Å; F566-I738 HydrophobicContact CE2-CG1 4.14Å; F566-I738 WeakPolarHBondContact CZ-O 3.4Å; F566-K740 HydrophobicContact CD1-CB 4.07Å; F566-K740 HydrophobicContact CD1-CG 4.22Å; F566-K740 HydrophobicContact CE1-CB 3.65Å; F566-K740 HydrophobicContact CE1-CG 4.29Å; F566-K740 HydrophobicContact CZ-CB 4.09Å; F566-K740 VanDerWaalsContact CZ-N 3.32Å; F566-A743 HydrophobicContact CD2-CB 3.42Å; F566-A743 VanDerWaalsContact CD2-CB 3.42Å; F566-A743 HydrophobicContact CE2-CB 3.8Å; F566-A743 HydrophobicContact CG-CB 4.18Å
567	K	98.4	Very high	98	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	128.7	169	-165	-159.4	156.3	-161.8	0	109.4	P553 D570 L734 H735 G736 E908 Y912	P553-K567 HydrophobicContact CB-CB 4.46Å; P553-K567 HydrophobicContact CG-CB 4.33Å; K567-D570 WeakPolarHBondContact CE-OD1 3.42Å; K567-D570 IonicContact NZ-OD1 3.59Å; K567-D570 PolarHBondContact NZ-OD1 2.79Å; K567-D570 IonicContact NZ-OD2 3.77Å; K567-L734 PolarHBondContact N-O 3.12Å; K567-H735 PolarHBondContact NZ-NE2 2.84Å; K567-H735 WeakPolarHBondContact O-CA 3.35Å; K567-H735 PolarHBondContact O-CD2 2.76Å; K567-G736 PolarHBondContact O-N 3.06Å; K567-E908 IonicContact NZ-OE1 3.92Å; K567-E908 PolarHBondContact NZ-OE1 2.68Å; K567-E908 IonicContact NZ-OE2 2.82Å; K567-E908 PolarHBondContact NZ-OE2 2.79Å; K567-Y912 HydrophobicContact CD-CE2 3.57Å; K567-Y912 PolarHBondContact NZ-OH 2.93Å
568	Q	98.4	Very high	98	Very high	11 Å²	11	31.1 Å²	31.1	5%	0.051	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	147.2	165.8	-167.4	174.5	7.6	0	0	109.3	Y543 P544 L545 F566 D570	Y543-Q568 PolarHBondContact O-NE2 2.88Å; P544-Q568 PolarHBondContact O-NE2 3.27Å; L545-Q568 HydrophobicContact CD2-CG 4.2Å; F566-Q568 HydrophobicContact CZ-CB 4.07Å; Q568-D570 PolarHBondContact O-N 3.37Å
569	D	97.9	Very high	98.1	Very high	8 Å²	8	26 Å²	26	4%	0.043	13%	0.134	C	C	.	.			trans	-66.9	121.4	174.1	179.3	24.1	0	0	0	111.4	L545 K571 F572 F573 G736 L905	L545-D569 WeakPolarHBondContact CD2-O 3.13Å; D569-K571 PolarHBondContact OD1-N 3.2Å; D569-F572 VanDerWaalsContact OD1-CD2 3.31Å; D569-F572 WeakPolarHBondContact OD1-CD2 3.33Å; D569-F572 PolarHBondContact OD1-N 2.74Å; D569-F572 WeakPolarHBondContact OD2-CA 3.37Å; D569-F572 WeakPolarHBondContact OD2-CB 3.43Å; D569-F572 PolarHBondContact OD2-N 3.38Å; D569-F573 PolarHBondContact OD2-N 2.74Å; D569-G736 PolarHBondContact N-O 3.08Å; D569-L905 HydrophobicContact CB-CD1 4.32Å
570	D	96.5	Very high	98.1	Very high	45 Å²	45	23.5 Å²	23.5	24%	0.241	12%	0.118	C	C	.	.	S	Bend	trans	-109.2	3.9	-180	65.2	-28.2	0	0	0	112.8	K567 Q568 F573	K567-D570 WeakPolarHBondContact CE-OD1 3.42Å; K567-D570 IonicContact NZ-OD1 3.59Å; K567-D570 PolarHBondContact NZ-OD1 2.79Å; K567-D570 IonicContact NZ-OD2 3.77Å; Q568-D570 PolarHBondContact O-N 3.37Å; D570-F573 VanDerWaalsContact C-CZ 3.42Å; D570-F573 VanDerWaalsContact O-CZ 3.29Å; D570-F573 WeakPolarHBondContact O-CZ 3.35Å
571	K	95.8	Very high	98.1	Very high	98 Å²	98	20.7 Å²	20.7	43%	0.426	10%	0.095	S	C	.	.	S	Bend	trans	-134.8	-42.1	-164	-76.9	155.7	-164.6	163.2	0	115.3	D569 E908	D569-K571 PolarHBondContact OD1-N 3.2Å; K571-E908 WeakPolarHBondContact CD-OE1 3.44Å; K571-E908 IonicContact NZ-OE1 2.72Å; K571-E908 PolarHBondContact NZ-OE1 2.69Å
572	F	96.8	Very high	98.2	Very high	42 Å²	42	20.5 Å²	20.5	18%	0.184	9%	0.093	C	C	.	.			trans	-100.6	-32.9	-169.8	-49.4	-71.9	0	0	0	112.8	D569 L574 P902 K903 K904 L905 E908	D569-F572 VanDerWaalsContact OD1-CD2 3.31Å; D569-F572 WeakPolarHBondContact OD1-CD2 3.33Å; D569-F572 PolarHBondContact OD1-N 2.74Å; D569-F572 WeakPolarHBondContact OD2-CA 3.37Å; D569-F572 WeakPolarHBondContact OD2-CB 3.43Å; D569-F572 PolarHBondContact OD2-N 3.38Å; F572-L574 PolarHBondContact O-N 3.2Å; F572-P902 WeakPolarHBondContact CE1-O 3.31Å; F572-P902 HydrophobicContact CZ-CB 4.38Å; F572-P902 WeakPolarHBondContact CZ-O 3.14Å; F572-K903 VanDerWaalsContact CE1-C 3.46Å; F572-K904 VanDerWaalsContact CE1-CA 3.49Å; F572-K904 VanDerWaalsContact CZ-C 3.49Å; F572-L905 HydrophobicContact CD2-CB 3.82Å; F572-L905 HydrophobicContact CD2-CD1 4.08Å; F572-L905 HydrophobicContact CE2-CB 4.28Å; F572-L905 HydrophobicContact CE2-CD1 4.43Å; F572-L905 HydrophobicContact CG-CB 4.42Å; F572-E908 HydrophobicContact CE2-CB 4.23Å; F572-E908 HydrophobicContact CZ-CB 4.42Å
573	F	97.4	Very high	98.2	Very high	96 Å²	96	20.5 Å²	20.5	42%	0.421	9%	0.093	S	C	.	.			trans	53.2	34.6	177.1	-54.1	-74.6	0	0	0	113.2	I542 L545 D569 D570	I542-F573 VanDerWaalsContact CD1-O 3.24Å; I542-F573 WeakPolarHBondContact CD1-O 3.36Å; I542-F573 HydrophobicContact CG2-CB 4.36Å; I542-F573 HydrophobicContact CG2-CD1 4.22Å; L545-F573 HydrophobicContact CD1-CE1 4.33Å; L545-F573 HydrophobicContact CG-CE1 4.49Å; D569-F573 PolarHBondContact OD2-N 2.74Å; D570-F573 VanDerWaalsContact C-CZ 3.42Å; D570-F573 VanDerWaalsContact O-CZ 3.29Å; D570-F573 WeakPolarHBondContact O-CZ 3.35Å
574	L	98.1	Very high	98.2	Very high	19 Å²	19	19.8 Å²	19.8	10%	0.099	9%	0.09	C	C	.	.			trans	-94.8	150.6	171.6	-63	-178.4	0	0	0	109.7	E64 F429 I542 F572 K576 N737	E64-L574 HydrophobicContact CB-CD2 4.36Å; F429-L574 HydrophobicContact CB-CD2 4.44Å; F429-L574 HydrophobicContact CD1-CD2 4.22Å; I542-L574 VanDerWaalsContact CD1-C 3.46Å; F572-L574 PolarHBondContact O-N 3.2Å; L574-K576 HydrophobicContact CB-CD 4.42Å; L574-K576 HydrophobicContact CB-CG 4.26Å; L574-K576 PolarHBondContact O-N 3.28Å; L574-N737 WeakPolarHBondContact O-CB 3.34Å
575	P	98.3	Very high	98.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-77.2	59.1	-179.3	32.5	-35.7	0	0	0	111.2	F429 F540 I542 Y639 N640	F429-P575 HydrophobicContact CB-CG 4.47Å; F429-P575 HydrophobicContact CD1-CG 3.68Å; F429-P575 HydrophobicContact CD2-CG 3.93Å; F429-P575 HydrophobicContact CE1-CG 3.75Å; F429-P575 HydrophobicContact CE2-CG 4Å; F429-P575 HydrophobicContact CG-CG 3.75Å; F429-P575 HydrophobicContact CZ-CG 3.89Å; F540-P575 HydrophobicContact CB-CB 4.13Å; F540-P575 HydrophobicContact CB-CG 4.1Å; F540-P575 HydrophobicContact CD1-CB 4.13Å; F540-P575 HydrophobicContact CD1-CG 3.71Å; F540-P575 HydrophobicContact CG-CG 4.38Å; I542-P575 HydrophobicContact CD1-CB 3.97Å; P575-Y639 HydrophobicContact CG-CD1 4.26Å; P575-Y639 VanDerWaalsContact O-CA 3.26Å; P575-Y639 WeakPolarHBondContact O-CA 3.35Å; P575-N640 WeakPolarHBondContact CA-OD1 3.44Å; P575-N640 PolarHBondContact O-N 3Å; P575-N640 VanDerWaalsContact O-N 3.12Å; P575-N640 PolarHBondContact O-OD1 3.15Å; P575-N640 VanDerWaalsContact O-OD1 3.09Å
576	K	98.6	Very high	98.1	Very high	33 Å²	33	21.6 Å²	21.6	14%	0.143	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153.1	-170.9	-61.5	-172.8	-171.3	179.4	0	111.9	F429 D431 L574 G638 Y639 N640 N737 L905	F429-K576 WeakPolarHBondContact O-CE 3.35Å; F429-K576 PolarHBondContact O-NZ 3.44Å; D431-K576 IonicContact OD1-NZ 3.28Å; D431-K576 PolarHBondContact OD1-NZ 2.97Å; L574-K576 HydrophobicContact CB-CD 4.42Å; L574-K576 HydrophobicContact CB-CG 4.26Å; L574-K576 PolarHBondContact O-N 3.28Å; K576-G638 WeakPolarHBondContact CA-O 3.45Å; K576-G638 VanDerWaalsContact CB-O 3.28Å; K576-G638 WeakPolarHBondContact CB-O 3.36Å; K576-Y639 HydrophobicContact CG-CD1 4.09Å; K576-Y639 HydrophobicContact CG-CE1 4.35Å; K576-N640 PolarHBondContact N-OD1 3.44Å; K576-N737 PolarHBondContact O-N 2.85Å; K576-L905 HydrophobicContact CB-CD2 4.35Å
577	A	98.6	Very high	98.1	Very high	1 Å²	1	24 Å²	24	1%	0.008	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	164.6	168.8	0	0	0	0	0	112.5	L579 G638 N640 Q643 I738	A577-L579 HydrophobicContact CB-CD2 4.4Å; A577-G638 PolarHBondContact N-O 2.84Å; A577-G638 VanDerWaalsContact N-O 3.11Å; A577-G638 PolarHBondContact O-N 3.14Å; A577-N640 HydrophobicContact CB-CB 4.3Å; A577-Q643 PolarHBondContact O-NE2 2.92Å; A577-I738 HydrophobicContact CB-CD1 4.44Å; A577-I738 HydrophobicContact CB-CG1 4.31Å; A577-I738 HydrophobicContact CB-CG2 4.23Å
578	C	98.6	Very high	98	Very high	6 Å²	6	24 Å²	24	4%	0.041	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.2	171.3	-68.3	0	0	0	0	108.3	V636 K637 H735 C909	C578-V636 WeakPolarHBondContact CA-O 3.18Å; C578-K637 HydrophobicContact CB-CG 4.43Å; C578-H735 PolarHBondContact N-O 2.83Å; C578-H735 PolarHBondContact O-N 3.45Å; C578-C909 HydrophobicContact CB-CB 4.16Å
579	L	98.8	Very high	98	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	104.4	-179	-45.1	178.2	0	0	0	107.7	A577 F581 S635 V636 Q643 L647 L734 I738 M746	A577-L579 HydrophobicContact CB-CD2 4.4Å; L579-F581 HydrophobicContact CB-CE2 3.71Å; L579-F581 HydrophobicContact CB-CZ 4.07Å; L579-S635 CarbonylContact O-C 3.4Å; L579-S635 VanDerWaalsContact O-CA 3.27Å; L579-S635 WeakPolarHBondContact O-CA 3.44Å; L579-V636 HydrophobicContact CB-CB 4.44Å; L579-V636 PolarHBondContact N-O 2.9Å; L579-V636 PolarHBondContact O-N 2.87Å; L579-Q643 HydrophobicContact CD1-CB 4.24Å; L579-L647 HydrophobicContact CD1-CD2 4.02Å; L579-L734 HydrophobicContact CD2-CB 4.1Å; L579-L734 HydrophobicContact CD2-CD2 4.01Å; L579-L734 HydrophobicContact CD2-CG 3.91Å; L579-I738 HydrophobicContact CD2-CD1 3.97Å; L579-M746 HydrophobicContact CD1-CE 4.37Å; L579-M746 HydrophobicContact CD1-SD 3.71Å; L579-M746 HydrophobicContact CD2-CE 4.05Å; L579-M746 HydrophobicContact CD2-SD 4.46Å
580	N	98.8	Very high	97.9	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.9	-179.6	-61.6	-8.2	0	0	0	110.5	Y633 S635 A732 L733 W913	N580-Y633 HydrophobicContact CB-CE2 4.42Å; N580-S635 WeakPolarHBondContact OD1-CB 3.36Å; N580-S635 PolarHBondContact OD1-OG 3.06Å; N580-A732 CarbonylContact O-C 3.42Å; N580-A732 WeakPolarHBondContact O-CA 3.37Å; N580-L733 HydrophobicContact CB-CB 4.43Å; N580-L733 PolarHBondContact N-O 2.86Å; N580-L733 PolarHBondContact O-N 2.87Å; N580-W913 HydrophobicContact CB-CD2 3.89Å; N580-W913 HydrophobicContact CB-CE3 3.76Å; N580-W913 HydrophobicContact CB-CH2 3.89Å; N580-W913 HydrophobicContact CB-CZ2 4Å; N580-W913 HydrophobicContact CB-CZ3 3.77Å
581	F	98.8	Very high	98	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	126	-179.9	-50.9	-94.3	0	0	0	109.9	L579 F583 Y633 L634 L647 I730 A732 L734 M747 V750	L579-F581 HydrophobicContact CB-CE2 3.71Å; L579-F581 HydrophobicContact CB-CZ 4.07Å; F581-F583 HydrophobicContact CB-CD2 4.26Å; F581-F583 HydrophobicContact CB-CE2 3.63Å; F581-F583 HydrophobicContact CB-CZ 3.88Å; F581-F583 HydrophobicContact CG-CZ 4.39Å; F581-Y633 WeakPolarHBondContact O-CA 3.49Å; F581-L634 HydrophobicContact CB-CB 4.44Å; F581-L634 HydrophobicContact CD2-CB 4.42Å; F581-L634 HydrophobicContact CD2-CD2 4.28Å; F581-L634 HydrophobicContact CD2-CG 4.33Å; F581-L634 PolarHBondContact N-O 3.33Å; F581-L634 PolarHBondContact O-N 2.99Å; F581-L647 HydrophobicContact CD2-CD1 4.44Å; F581-L647 HydrophobicContact CE2-CD1 3.71Å; F581-L647 HydrophobicContact CE2-CD2 4.1Å; F581-L647 HydrophobicContact CZ-CD1 4.11Å; F581-L647 HydrophobicContact CZ-CD2 3.78Å; F581-I730 HydrophobicContact CB-CG2 4.26Å; F581-I730 HydrophobicContact CD1-CG2 4.29Å; F581-A732 HydrophobicContact CD1-CB 3.68Å; F581-A732 HydrophobicContact CE1-CB 4.11Å; F581-A732 HydrophobicContact CG-CB 4.48Å; F581-L734 HydrophobicContact CE1-CD1 4.37Å; F581-M747 HydrophobicContact CD1-SD 4.26Å; F581-M747 HydrophobicContact CE1-SD 4.04Å; F581-V750 HydrophobicContact CE1-CG2 4.23Å; F581-V750 HydrophobicContact CZ-CG2 4.39Å
582	E	98.8	Very high	98.1	Very high	13 Å²	13	25 Å²	25	6%	0.061	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	110.3	167.1	-170.5	79.7	-164.3	0	0	107.8	F584 T628 I730 E731 W913	E582-F584 HydrophobicContact CB-CE2 4.08Å; E582-F584 HydrophobicContact CB-CZ 4.03Å; E582-F584 HydrophobicContact CG-CD1 4.49Å; E582-F584 HydrophobicContact CG-CE1 3.8Å; E582-F584 HydrophobicContact CG-CE2 3.89Å; E582-F584 HydrophobicContact CG-CZ 3.46Å; E582-F584 VanDerWaalsContact CG-CZ 3.46Å; E582-T628 WeakPolarHBondContact OE1-CB 3.02Å; E582-T628 WeakPolarHBondContact OE1-CG2 3.43Å; E582-T628 PolarHBondContact OE1-OG1 3.4Å; E582-I730 WeakPolarHBondContact O-CA 3.05Å; E582-E731 PolarHBondContact N-O 2.83Å; E582-E731 PolarHBondContact O-N 3.07Å; E582-W913 HydrophobicContact CB-CH2 4.04Å; E582-W913 HydrophobicContact CB-CZ2 4.02Å
583	F	98.8	Very high	98.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	104.8	177.1	-57.3	-95.1	0	0	0	109	F581 G631 M632 L634 I651 L728 H729 I730 V750 L754	F581-F583 HydrophobicContact CB-CD2 4.26Å; F581-F583 HydrophobicContact CB-CE2 3.63Å; F581-F583 HydrophobicContact CB-CZ 3.88Å; F581-F583 HydrophobicContact CG-CZ 4.39Å; F583-G631 CarbonylContact O-C 3.47Å; F583-G631 VanDerWaalsContact O-CA 3.23Å; F583-G631 WeakPolarHBondContact O-CA 3.23Å; F583-M632 HydrophobicContact CB-CB 4.29Å; F583-M632 HydrophobicContact CB-CE 3.78Å; F583-M632 HydrophobicContact CD2-CB 4.36Å; F583-M632 HydrophobicContact CG-CE 4.15Å; F583-M632 PolarHBondContact N-O 2.92Å; F583-M632 PolarHBondContact O-N 3.44Å; F583-L634 HydrophobicContact CE2-CB 3.8Å; F583-L634 HydrophobicContact CE2-CD2 4.36Å; F583-I651 HydrophobicContact CZ-CD1 3.88Å; F583-L728 HydrophobicContact CD1-CD1 4.23Å; F583-H729 CarbonylContact C-O 3.59Å; F583-H729 WeakPolarHBondContact CA-O 3.44Å; F583-I730 HydrophobicContact CD1-CB 4.47Å; F583-I730 HydrophobicContact CD1-CD1 3.84Å; F583-I730 HydrophobicContact CD1-CG1 3.75Å; F583-I730 HydrophobicContact CD1-CG2 4Å; F583-I730 HydrophobicContact CE1-CD1 3.77Å; F583-I730 HydrophobicContact CE1-CG1 4.14Å; F583-I730 HydrophobicContact CE1-CG2 4.03Å; F583-V750 HydrophobicContact CE1-CG1 3.98Å; F583-V750 HydrophobicContact CZ-CG1 4.22Å; F583-L754 HydrophobicContact CD1-CD1 4.41Å; F583-L754 HydrophobicContact CE1-CD1 3.97Å
584	F	98.8	Very high	98.2	Very high	12 Å²	12	21.6 Å²	21.6	5%	0.053	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	129.3	178.7	-62.3	-81.6	0	0	0	111.3	E582 Y630 L728 H729 E731 L763 L768 R770	E582-F584 HydrophobicContact CB-CE2 4.08Å; E582-F584 HydrophobicContact CB-CZ 4.03Å; E582-F584 HydrophobicContact CG-CD1 4.49Å; E582-F584 HydrophobicContact CG-CE1 3.8Å; E582-F584 HydrophobicContact CG-CE2 3.89Å; E582-F584 HydrophobicContact CG-CZ 3.46Å; E582-F584 VanDerWaalsContact CG-CZ 3.46Å; F584-Y630 WeakPolarHBondContact CA-O 3.42Å; F584-L728 WeakPolarHBondContact O-CA 3.31Å; F584-L728 WeakPolarHBondContact O-CD2 3.28Å; F584-H729 HydrophobicContact CB-CB 4.27Å; F584-H729 HydrophobicContact CD2-CB 4.26Å; F584-H729 AromaticContact CD2-CD2 3.77Å; F584-H729 WeakPolarHBondContact CD2-O 3.29Å; F584-H729 PolarHBondContact N-O 2.7Å; F584-H729 PolarHBondContact O-N 2.96Å; F584-E731 HydrophobicContact CE2-CB 3.75Å; F584-E731 HydrophobicContact CZ-CB 4.48Å; F584-L763 HydrophobicContact CB-CD1 4.1Å; F584-L763 VanDerWaalsContact O-CD1 3.31Å; F584-L763 WeakPolarHBondContact O-CD1 3.38Å; F584-L768 HydrophobicContact CB-CD2 4.01Å; F584-L768 HydrophobicContact CG-CD2 4.24Å; F584-R770 VanDerWaalsContact CZ-NH2 3.31Å
585	S	98.4	Very high	98.2	Very high	3 Å²	3	21 Å²	21	2%	0.021	11%	0.112	C	C	.	.			trans	-149.4	125	168.6	-166.7	0	0	0	0	110	F587 A588 Y630 L724	S585-F587 PolarHBondContact O-N 2.96Å; S585-A588 PolarHBondContact O-N 2.97Å; S585-Y630 PolarHBondContact N-O 3.2Å; S585-L724 PolarHBondContact OG-O 2.82Å
586	P	96.8	Very high	98.2	Very high	57 Å²	57	21 Å²	21	37%	0.37	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-62.6	-25.9	179.7	27.6	-34.9	0	0	0	112.1	A588 V590 L763	P586-A588 PolarHBondContact O-N 3.24Å; P586-V590 PolarHBondContact O-N 2.89Å; P586-L763 HydrophobicContact CG-CD2 4.46Å
587	F	97.8	Very high	98.2	Very high	57 Å²	57	19.8 Å²	19.8	25%	0.25	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-68.6	-12.7	179.3	-61	-74.8	0	0	0	114	S585 Y589 H594 F720 E723 L724	S585-F587 PolarHBondContact O-N 2.96Å; F587-Y589 VanDerWaalsContact C-N 3.35Å; F587-Y589 PolarHBondContact O-N 3.11Å; F587-H594 WeakPolarHBondContact O-CB 3.38Å; F587-H594 PolarHBondContact O-CD2 3.26Å; F587-F720 HydrophobicContact CB-CE2 4.47Å; F587-F720 WeakPolarHBondContact O-CE2 3.49Å; F587-E723 HydrophobicContact CD1-CG 3.83Å; F587-E723 HydrophobicContact CD2-CG 4.17Å; F587-E723 HydrophobicContact CE1-CG 3.78Å; F587-E723 VanDerWaalsContact CE1-OE1 3.24Å; F587-E723 WeakPolarHBondContact CE1-OE1 3.37Å; F587-E723 HydrophobicContact CE2-CG 4.13Å; F587-E723 HydrophobicContact CG-CG 4.03Å; F587-E723 HydrophobicContact CZ-CG 3.93Å; F587-L724 HydrophobicContact CB-CD1 4.34Å
588	A	97.6	Very high	98.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-75.9	-19.1	-178.1	0	0	0	0	0	114.6	S585 P586 C595 A598 G631 L724	S585-A588 PolarHBondContact O-N 2.97Å; P586-A588 PolarHBondContact O-N 3.24Å; A588-C595 WeakPolarHBondContact O-CA 3.43Å; A588-A598 HydrophobicContact CB-CB 4.34Å; A588-G631 VanDerWaalsContact CB-CA 3.43Å; A588-L724 HydrophobicContact CB-CD1 3.92Å
589	Y	97.6	Very high	98.3	Very high	26 Å²	26	22.2 Å²	22.2	10%	0.102	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.4	13	-173	-151.8	-108.9	0	0	0	113.9	F587 D591 C595 V629 V698 W700 Y771	F587-Y589 VanDerWaalsContact C-N 3.35Å; F587-Y589 PolarHBondContact O-N 3.11Å; Y589-D591 PolarHBondContact O-N 3.2Å; Y589-C595 HydrophobicContact CD2-CB 3.9Å; Y589-C595 HydrophobicContact CE2-CB 4.15Å; Y589-C595 WeakPolarHBondContact CE2-SG 3.36Å; Y589-V629 WeakPolarHBondContact CB-O 3.42Å; Y589-V629 HydrophobicContact CD1-CB 4Å; Y589-V629 HydrophobicContact CD1-CG1 4.36Å; Y589-V629 HydrophobicContact CD2-CB 4.35Å; Y589-V629 HydrophobicContact CD2-CG1 4.29Å; Y589-V629 HydrophobicContact CE1-CB 4.11Å; Y589-V629 HydrophobicContact CE1-CG1 4.01Å; Y589-V629 HydrophobicContact CE2-CB 4.45Å; Y589-V629 HydrophobicContact CE2-CG1 3.94Å; Y589-V629 HydrophobicContact CG-CB 4.13Å; Y589-V629 HydrophobicContact CG-CG1 4.5Å; Y589-V698 HydrophobicContact CE1-CG1 4.33Å; Y589-W700 AromaticContact CD1-CD1 3.87Å; Y589-W700 AromaticContact CD1-NE1 3.76Å; Y589-W700 AromaticContact CD2-CD1 3.98Å; Y589-W700 AromaticContact CE1-CD1 3.54Å; Y589-W700 HydrophobicContact CE1-CG 4.3Å; Y589-W700 AromaticContact CE1-NE1 3.78Å; Y589-W700 AromaticContact CE2-CD1 3.65Å; Y589-W700 AromaticContact CZ-CD1 3.41Å; Y589-W700 VanDerWaalsContact CZ-CD1 3.41Å; Y589-W700 PolarHBondContact O-NE1 3.19Å; Y589-W700 PolarHBondContact OH-N 2.91Å; Y589-Y771 HydrophobicContact CD1-CE2 4.15Å
590	V	96.9	Very high	98.3	Very high	81 Å²	81	22.2 Å²	22.2	49%	0.491	12%	0.116	S	C	.	.	S	Bend	trans	-59.3	-33.7	-176.2	61	0	0	0	0	113.3	P586 H594	P586-V590 PolarHBondContact O-N 2.89Å; V590-H594 HydrophobicContact CG1-CB 3.75Å; V590-H594 VanDerWaalsContact CG1-CG 3.44Å
591	D	97.3	Very high	98.3	Very high	52 Å²	52	22 Å²	22	28%	0.278	12%	0.115	S	C	.	.	S	Bend	trans	-150.4	172.9	172.6	66.4	41.5	0	0	0	110.3	Y589 L593 H594 C595	Y589-D591 PolarHBondContact O-N 3.2Å; D591-L593 VanDerWaalsContact C-N 3.34Å; D591-L593 PolarHBondContact O-N 3.45Å; D591-L593 WeakPolarHBondContact OD1-CA 3.36Å; D591-L593 VanDerWaalsContact OD1-CB 3.31Å; D591-L593 WeakPolarHBondContact OD1-CB 3.19Å; D591-L593 PolarHBondContact OD1-N 2.91Å; D591-H594 PolarHBondContact O-N 3.07Å; D591-H594 WeakPolarHBondContact OD1-CB 3.48Å; D591-H594 IonicContact OD1-CG 2.7Å; D591-H594 PolarHBondContact OD1-N 3.27Å; D591-H594 IonicContact OD1-ND1 2.77Å; D591-H594 PolarHBondContact OD1-ND1 3.32Å; D591-H594 IonicContact OD2-CE1 3.67Å; D591-H594 PolarHBondContact OD2-CE1 2.94Å; D591-H594 IonicContact OD2-ND1 3.88Å; D591-H594 PolarHBondContact OD2-ND1 3.13Å; D591-C595 PolarHBondContact O-N 3.42Å
592	P	97.9	Very high	98.2	Very high	22 Å²	22	22 Å²	22	14%	0.143	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-35.7	178.1	-27.8	37.4	0	0	0	114.7	C595 N596 W700 E704 L705 S708	P592-C595 PolarHBondContact O-N 2.95Å; P592-N596 VanDerWaalsContact O-CG 3.28Å; P592-N596 PolarHBondContact O-N 2.99Å; P592-N596 PolarHBondContact O-ND2 2.79Å; P592-W700 HydrophobicContact CG-CB 4.3Å; P592-W700 HydrophobicContact CG-CD2 3.66Å; P592-W700 HydrophobicContact CG-CE3 3.65Å; P592-W700 HydrophobicContact CG-CG 3.93Å; P592-W700 HydrophobicContact CG-CZ3 4.24Å; P592-E704 HydrophobicContact CB-CB 4.29Å; P592-E704 WeakPolarHBondContact CB-O 3.46Å; P592-E704 HydrophobicContact CG-CB 3.88Å; P592-L705 HydrophobicContact CB-CD2 4.14Å; P592-S708 WeakPolarHBondContact CB-OG 3.39Å; P592-S708 PolarHBondContact O-OG 3.29Å
593	L	98.4	Very high	98.2	Very high	36 Å²	36	23.6 Å²	23.6	19%	0.188	12%	0.123	C	C	.	.	H	α-helix	trans	-64.5	-45.7	-179.9	-179.5	68.6	0	0	0	110.5	D591 N596 M597 S708 D711 V712	D591-L593 VanDerWaalsContact C-N 3.34Å; D591-L593 PolarHBondContact O-N 3.45Å; D591-L593 WeakPolarHBondContact OD1-CA 3.36Å; D591-L593 VanDerWaalsContact OD1-CB 3.31Å; D591-L593 WeakPolarHBondContact OD1-CB 3.19Å; D591-L593 PolarHBondContact OD1-N 2.91Å; L593-N596 WeakPolarHBondContact O-CB 3.48Å; L593-N596 PolarHBondContact O-N 2.86Å; L593-M597 HydrophobicContact CG-CE 4.17Å; L593-M597 WeakPolarHBondContact O-CG 3.37Å; L593-M597 PolarHBondContact O-N 3.24Å; L593-S708 WeakPolarHBondContact CD1-O 3.38Å; L593-S708 PolarHBondContact N-OG 2.82Å; L593-D711 HydrophobicContact CD1-CB 3.76Å; L593-V712 HydrophobicContact CD1-CB 4.49Å; L593-V712 HydrophobicContact CD1-CG2 3.63Å
594	H	98.6	Very high	98.2	Very high	31 Å²	31	23.8 Å²	23.8	14%	0.144	12%	0.124	C	C	.	.	H	α-helix	trans	-65.6	-38.8	176	-76.1	83.5	0	0	0	112.5	F587 V590 D591 N596 M597 A598 F720	F587-H594 WeakPolarHBondContact O-CB 3.38Å; F587-H594 PolarHBondContact O-CD2 3.26Å; V590-H594 HydrophobicContact CG1-CB 3.75Å; V590-H594 VanDerWaalsContact CG1-CG 3.44Å; D591-H594 PolarHBondContact O-N 3.07Å; D591-H594 WeakPolarHBondContact OD1-CB 3.48Å; D591-H594 IonicContact OD1-CG 2.7Å; D591-H594 PolarHBondContact OD1-N 3.27Å; D591-H594 IonicContact OD1-ND1 2.77Å; D591-H594 PolarHBondContact OD1-ND1 3.32Å; D591-H594 IonicContact OD2-CE1 3.67Å; D591-H594 PolarHBondContact OD2-CE1 2.94Å; D591-H594 IonicContact OD2-ND1 3.88Å; D591-H594 PolarHBondContact OD2-ND1 3.13Å; H594-N596 VanDerWaalsContact C-N 3.33Å; H594-N596 PolarHBondContact O-N 3.47Å; H594-M597 PolarHBondContact O-N 3.43Å; H594-A598 WeakPolarHBondContact O-CB 3.43Å; H594-A598 PolarHBondContact O-N 3.18Å; H594-F720 HydrophobicContact CB-CE2 4.47Å; H594-F720 AromaticContact CD2-CD2 3.8Å; H594-F720 AromaticContact CD2-CE2 3.81Å
595	C	98.4	Very high	98.2	Very high	7 Å²	7	23.2 Å²	23.2	5%	0.047	12%	0.121	C	C	.	.	H	α-helix	trans	-61	-41.5	173.1	-179.2	0	0	0	0	112	A588 Y589 D591 P592 A598 Y599 L705	A588-C595 WeakPolarHBondContact O-CA 3.43Å; Y589-C595 HydrophobicContact CD2-CB 3.9Å; Y589-C595 HydrophobicContact CE2-CB 4.15Å; Y589-C595 WeakPolarHBondContact CE2-SG 3.36Å; D591-C595 PolarHBondContact O-N 3.42Å; P592-C595 PolarHBondContact O-N 2.95Å; C595-A598 PolarHBondContact O-N 3.22Å; C595-Y599 PolarHBondContact O-N 3.17Å; C595-Y599 VanDerWaalsContact O-N 3.08Å; C595-L705 HydrophobicContact CB-CD2 3.63Å; C595-L705 VanDerWaalsContact SG-CD2 3.59Å
596	N	98.8	Very high	98.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.1	-44.1	174	-67.5	-21.1	0	0	0	111.8	P592 L593 H594 Y599 L600 Y671 L705 S708 L709 V712	P592-N596 VanDerWaalsContact O-CG 3.28Å; P592-N596 PolarHBondContact O-N 2.99Å; P592-N596 PolarHBondContact O-ND2 2.79Å; L593-N596 WeakPolarHBondContact O-CB 3.48Å; L593-N596 PolarHBondContact O-N 2.86Å; H594-N596 VanDerWaalsContact C-N 3.33Å; H594-N596 PolarHBondContact O-N 3.47Å; N596-Y599 PolarHBondContact O-N 3.2Å; N596-L600 WeakPolarHBondContact O-CB 3.21Å; N596-L600 VanDerWaalsContact O-CG 3.29Å; N596-L600 WeakPolarHBondContact O-CG 3.41Å; N596-L600 PolarHBondContact O-N 3.08Å; N596-Y671 HydrophobicContact CB-CE1 4.25Å; N596-Y671 WeakPolarHBondContact OD1-CE1 3.22Å; N596-Y671 PolarHBondContact OD1-OH 2.88Å; N596-L705 PolarHBondContact ND2-O 2.84Å; N596-L705 WeakPolarHBondContact OD1-CD2 3.25Å; N596-L705 PolarHBondContact OD1-O 2.87Å; N596-S708 PolarHBondContact ND2-OG 3.43Å; N596-L709 HydrophobicContact CB-CD1 4.23Å; N596-L709 VanDerWaalsContact ND2-CA 3.34Å; N596-L709 WeakPolarHBondContact ND2-CA 3.2Å; N596-L709 PolarHBondContact ND2-N 2.85Å; N596-V712 HydrophobicContact CB-CG2 3.75Å
597	M	98.8	Very high	98.1	Very high	8 Å²	8	24 Å²	24	4%	0.039	12%	0.119	C	C	.	.	H	α-helix	trans	-65	-38.2	178.3	-69.6	-171.2	-60.2	0	0	112.2	L593 H594 Y601 V712 R716 L717 F720	L593-M597 HydrophobicContact CG-CE 4.17Å; L593-M597 WeakPolarHBondContact O-CG 3.37Å; L593-M597 PolarHBondContact O-N 3.24Å; H594-M597 PolarHBondContact O-N 3.43Å; M597-Y601 WeakPolarHBondContact O-CB 3.17Å; M597-Y601 PolarHBondContact O-N 3.39Å; M597-V712 HydrophobicContact CG-CG1 3.87Å; M597-V712 HydrophobicContact CG-CG2 4.05Å; M597-R716 HydrophobicContact SD-CB 4.11Å; M597-L717 HydrophobicContact CB-CD1 3.72Å; M597-L717 HydrophobicContact CG-CD1 4.02Å; M597-L717 WeakPolarHBondContact O-CD1 3.46Å; M597-F720 VanDerWaalsContact C-CE1 3.45Å; M597-F720 HydrophobicContact CB-CB 4.42Å; M597-F720 HydrophobicContact CB-CD1 3.56Å; M597-F720 HydrophobicContact CB-CD2 4.18Å; M597-F720 HydrophobicContact CB-CE1 3.71Å; M597-F720 HydrophobicContact CB-CE2 4.31Å; M597-F720 HydrophobicContact CB-CG 3.78Å; M597-F720 HydrophobicContact CB-CZ 4.09Å; M597-F720 HydrophobicContact CE-CB 3.84Å; M597-F720 HydrophobicContact CE-CD2 3.66Å; M597-F720 HydrophobicContact CE-CE2 4.4Å; M597-F720 HydrophobicContact CE-CG 3.82Å; M597-F720 HydrophobicContact SD-CB 3.76Å; M597-F720 HydrophobicContact SD-CG 4.07Å
598	A	98.8	Very high	98	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-62.5	-42.8	173.9	0	0	0	0	0	112.3	A588 H594 C595 L602 N627 F720	A588-A598 HydrophobicContact CB-CB 4.34Å; H594-A598 WeakPolarHBondContact O-CB 3.43Å; H594-A598 PolarHBondContact O-N 3.18Å; C595-A598 PolarHBondContact O-N 3.22Å; A598-L602 WeakPolarHBondContact O-CG 3.48Å; A598-L602 PolarHBondContact O-N 3.04Å; A598-N627 HydrophobicContact CB-CB 3.99Å; A598-F720 HydrophobicContact CB-CE1 4.39Å; A598-F720 HydrophobicContact CB-CZ 3.93Å
599	Y	98.7	Very high	97.9	Very high	56 Å²	56	24.1 Å²	24.1	22%	0.22	13%	0.127	C	C	.	.	H	α-helix	trans	-64.7	-55.3	175.1	178.3	-99.2	0	0	0	111.5	C595 N596 Y601 L602 E603 Y671	C595-Y599 PolarHBondContact O-N 3.17Å; C595-Y599 VanDerWaalsContact O-N 3.08Å; N596-Y599 PolarHBondContact O-N 3.2Å; Y599-Y601 VanDerWaalsContact C-N 3.33Å; Y599-Y601 PolarHBondContact O-N 2.94Å; Y599-L602 PolarHBondContact O-N 3.34Å; Y599-L602 VanDerWaalsContact O-N 3.08Å; Y599-E603 HydrophobicContact CD1-CG 4.11Å; Y599-E603 HydrophobicContact CD2-CG 4.22Å; Y599-E603 HydrophobicContact CE1-CG 3.57Å; Y599-E603 HydrophobicContact CE2-CG 3.7Å; Y599-E603 VanDerWaalsContact CE2-OE1 3.26Å; Y599-E603 WeakPolarHBondContact CE2-OE1 3.35Å; Y599-E603 HydrophobicContact CG-CG 4.41Å; Y599-E603 PolarHBondContact O-N 2.83Å; Y599-Y671 AromaticContact CD1-CD1 3.79Å; Y599-Y671 HydrophobicContact CD1-CD1 3.79Å; Y599-Y671 AromaticContact CD1-CD2 3.45Å; Y599-Y671 HydrophobicContact CD1-CD2 3.45Å; Y599-Y671 VanDerWaalsContact CD1-CD2 3.45Å; Y599-Y671 AromaticContact CD1-CE1 3.76Å; Y599-Y671 HydrophobicContact CD1-CE1 3.76Å; Y599-Y671 AromaticContact CD1-CE2 3.4Å; Y599-Y671 HydrophobicContact CD1-CE2 3.4Å; Y599-Y671 AromaticContact CD1-CG 3.63Å; Y599-Y671 HydrophobicContact CD1-CG 3.63Å; Y599-Y671 AromaticContact CD1-CZ 3.55Å; Y599-Y671 HydrophobicContact CD2-CE2 4.46Å; Y599-Y671 HydrophobicContact CE1-CD1 4.1Å; Y599-Y671 AromaticContact CE1-CD2 3.06Å; Y599-Y671 HydrophobicContact CE1-CD2 3.06Å; Y599-Y671 HydrophobicContact CE1-CE1 4.39Å; Y599-Y671 AromaticContact CE1-CE2 3.41Å; Y599-Y671 HydrophobicContact CE1-CE2 3.41Å; Y599-Y671 VanDerWaalsContact CE1-CE2 3.41Å; Y599-Y671 AromaticContact CE1-CG 3.44Å; Y599-Y671 HydrophobicContact CE1-CG 3.44Å; Y599-Y671 VanDerWaalsContact CE1-CG 3.44Å; Y599-Y671 HydrophobicContact CE2-CE2 4.48Å; Y599-Y671 HydrophobicContact CG-CD2 4.41Å; Y599-Y671 HydrophobicContact CG-CE1 4.45Å; Y599-Y671 AromaticContact CG-CE2 3.96Å; Y599-Y671 HydrophobicContact CG-CE2 3.96Å; Y599-Y671 AromaticContact CG-CZ 3.97Å; Y599-Y671 AromaticContact CZ-CD2 3.79Å; Y599-Y671 AromaticContact CZ-CE2 3.98Å
600	L	98.8	Very high	97.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.9	-39.6	-176.4	-70.3	169.9	0	0	0	112.5	N596 L602 L604 I667 K668 Y671 L709 V712 L717	N596-L600 WeakPolarHBondContact O-CB 3.21Å; N596-L600 VanDerWaalsContact O-CG 3.29Å; N596-L600 WeakPolarHBondContact O-CG 3.41Å; N596-L600 PolarHBondContact O-N 3.08Å; L600-L602 PolarHBondContact O-N 2.87Å; L600-L604 VanDerWaalsContact O-CB 3.26Å; L600-L604 WeakPolarHBondContact O-CB 3.42Å; L600-L604 WeakPolarHBondContact O-CD1 3.37Å; L600-L604 VanDerWaalsContact O-CG 3.25Å; L600-L604 WeakPolarHBondContact O-CG 3.41Å; L600-L604 PolarHBondContact O-N 2.9Å; L600-I667 HydrophobicContact CD2-CG2 3.95Å; L600-K668 HydrophobicContact CD2-CB 4.45Å; L600-Y671 HydrophobicContact CD2-CD1 4.05Å; L600-Y671 HydrophobicContact CD2-CG 4.38Å; L600-Y671 HydrophobicContact CG-CD1 4.28Å; L600-L709 HydrophobicContact CD1-CD1 3.86Å; L600-V712 HydrophobicContact CD1-CB 4.28Å; L600-V712 HydrophobicContact CD1-CG1 3.8Å; L600-V712 HydrophobicContact CD1-CG2 4.37Å; L600-L717 HydrophobicContact CB-CD2 4.41Å
601	Y	98.8	Very high	97.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-54.9	-50.2	172.7	162	-133.2	0	0	0	111.6	M597 Y599 L604 L605 M632 M654 F657 I721 L724	M597-Y601 WeakPolarHBondContact O-CB 3.17Å; M597-Y601 PolarHBondContact O-N 3.39Å; Y599-Y601 VanDerWaalsContact C-N 3.33Å; Y599-Y601 PolarHBondContact O-N 2.94Å; Y601-L604 PolarHBondContact O-N 2.91Å; Y601-L605 HydrophobicContact CE2-CB 4.41Å; Y601-L605 HydrophobicContact CE2-CD2 4.18Å; Y601-L605 WeakPolarHBondContact O-CB 3.38Å; Y601-L605 PolarHBondContact O-N 3.06Å; Y601-M632 HydrophobicContact CE1-SD 3.89Å; Y601-M654 VanDerWaalsContact OH-CA 3.3Å; Y601-M654 WeakPolarHBondContact OH-CA 3.45Å; Y601-M654 VanDerWaalsContact OH-CB 3.3Å; Y601-M654 WeakPolarHBondContact OH-CB 3.47Å; Y601-M654 PolarHBondContact OH-O 2.77Å; Y601-F657 AromaticContact CD2-CD1 3.72Å; Y601-F657 HydrophobicContact CD2-CD1 3.72Å; Y601-F657 HydrophobicContact CD2-CE1 4.25Å; Y601-F657 HydrophobicContact CD2-CG 4.45Å; Y601-F657 HydrophobicContact CE2-CB 4.03Å; Y601-F657 AromaticContact CE2-CD1 3.8Å; Y601-F657 HydrophobicContact CE2-CD1 3.8Å; Y601-F657 HydrophobicContact CE2-CG 4.08Å; Y601-I721 HydrophobicContact CD1-CG1 4.29Å; Y601-I721 HydrophobicContact CD2-CD1 3.49Å; Y601-I721 VanDerWaalsContact CD2-CD1 3.49Å; Y601-I721 HydrophobicContact CD2-CG1 3.68Å; Y601-I721 HydrophobicContact CD2-CG2 4.4Å; Y601-I721 HydrophobicContact CE2-CD1 4.1Å; Y601-I721 HydrophobicContact CE2-CG1 4.19Å; Y601-I721 HydrophobicContact CE2-CG2 4.04Å; Y601-I721 HydrophobicContact CG-CD1 3.98Å; Y601-I721 HydrophobicContact CG-CG1 3.75Å; Y601-L724 HydrophobicContact CD1-CD2 3.79Å; Y601-L724 HydrophobicContact CE1-CD2 3.89Å
602	L	98.6	Very high	97.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-75.2	-30.9	-175.4	-64.7	-178.4	0	0	0	113.2	A598 Y599 L600 L605 K606 L625 N627 M632	A598-L602 WeakPolarHBondContact O-CG 3.48Å; A598-L602 PolarHBondContact O-N 3.04Å; Y599-L602 PolarHBondContact O-N 3.34Å; Y599-L602 VanDerWaalsContact O-N 3.08Å; L600-L602 PolarHBondContact O-N 2.87Å; L602-L605 HydrophobicContact CD2-CD2 3.89Å; L602-K606 WeakPolarHBondContact O-CB 3.48Å; L602-K606 VanDerWaalsContact O-CE 3.29Å; L602-K606 WeakPolarHBondContact O-CE 3.28Å; L602-K606 WeakPolarHBondContact O-CG 3.49Å; L602-K606 PolarHBondContact O-N 2.92Å; L602-L625 HydrophobicContact CD1-CD1 4.32Å; L602-L625 HydrophobicContact CD2-CD1 4.05Å; L602-L625 HydrophobicContact CD2-CD2 4.21Å; L602-L625 HydrophobicContact CD2-CG 4.09Å; L602-N627 HydrophobicContact CD1-CB 4.04Å; L602-M632 HydrophobicContact CD1-CB 4.17Å; L602-M632 HydrophobicContact CD1-CG 4.03Å; L602-M632 HydrophobicContact CD1-SD 4.43Å; L602-M632 HydrophobicContact CD2-SD 4.1Å
603	E	98.4	Very high	97.2	Very high	46 Å²	46	25.7 Å²	25.7	22%	0.215	13%	0.126	C	C	.	.	H	α-helix	trans	-68.8	-45	170.4	-62.8	-50.5	146.7	0	0	112.1	Y599 L605 K606 D607 I667	Y599-E603 HydrophobicContact CD1-CG 4.11Å; Y599-E603 HydrophobicContact CD2-CG 4.22Å; Y599-E603 HydrophobicContact CE1-CG 3.57Å; Y599-E603 HydrophobicContact CE2-CG 3.7Å; Y599-E603 VanDerWaalsContact CE2-OE1 3.26Å; Y599-E603 WeakPolarHBondContact CE2-OE1 3.35Å; Y599-E603 HydrophobicContact CG-CG 4.41Å; Y599-E603 PolarHBondContact O-N 2.83Å; E603-L605 VanDerWaalsContact C-N 3.28Å; E603-L605 PolarHBondContact O-N 2.87Å; E603-K606 VanDerWaalsContact CD-CE 3.45Å; E603-K606 PolarHBondContact O-N 2.83Å; E603-K606 WeakPolarHBondContact OE1-CE 3.35Å; E603-K606 IonicContact OE1-NZ 3.4Å; E603-K606 PolarHBondContact OE1-NZ 3.41Å; E603-K606 WeakPolarHBondContact OE2-CE 3.48Å; E603-K606 IonicContact OE2-NZ 2.81Å; E603-K606 PolarHBondContact OE2-NZ 2.88Å; E603-D607 VanDerWaalsContact O-CB 3.28Å; E603-D607 WeakPolarHBondContact O-CB 3.27Å; E603-D607 PolarHBondContact O-N 3.04Å; E603-I667 HydrophobicContact CB-CG2 3.86Å
604	L	98.5	Very high	97	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-61.2	-38.1	174.7	-76.5	161.6	0	0	0	112.1	L600 Y601 S608 F657 I659 R663 F664 I667 L717	L600-L604 VanDerWaalsContact O-CB 3.26Å; L600-L604 WeakPolarHBondContact O-CB 3.42Å; L600-L604 WeakPolarHBondContact O-CD1 3.37Å; L600-L604 VanDerWaalsContact O-CG 3.25Å; L600-L604 WeakPolarHBondContact O-CG 3.41Å; L600-L604 PolarHBondContact O-N 2.9Å; Y601-L604 PolarHBondContact O-N 2.91Å; L604-S608 WeakPolarHBondContact O-CB 3.08Å; L604-S608 PolarHBondContact O-N 2.94Å; L604-F657 VanDerWaalsContact C-CZ 3.5Å; L604-F657 HydrophobicContact CB-CE1 3.8Å; L604-F657 HydrophobicContact CB-CZ 3.81Å; L604-F657 WeakPolarHBondContact O-CZ 3.4Å; L604-I659 HydrophobicContact CD1-CG2 4.08Å; L604-R663 VanDerWaalsContact CD2-C 3.49Å; L604-R663 HydrophobicContact CD2-CB 3.89Å; L604-F664 HydrophobicContact CD1-CB 4.24Å; L604-F664 HydrophobicContact CD1-CD2 4.03Å; L604-F664 HydrophobicContact CD2-CB 4.43Å; L604-I667 HydrophobicContact CD2-CB 4.35Å; L604-I667 HydrophobicContact CD2-CD1 3.7Å; L604-I667 HydrophobicContact CD2-CG1 4.49Å; L604-I667 HydrophobicContact CG-CD1 4.16Å; L604-L717 HydrophobicContact CD1-CD2 3.76Å
605	L	98	Very high	96.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.5	-50.6	175.1	171.8	61.6	0	0	0	111.4	Y601 L602 E603 S608 L609 L625 K653 M654 F657	Y601-L605 HydrophobicContact CE2-CB 4.41Å; Y601-L605 HydrophobicContact CE2-CD2 4.18Å; Y601-L605 WeakPolarHBondContact O-CB 3.38Å; Y601-L605 PolarHBondContact O-N 3.06Å; L602-L605 HydrophobicContact CD2-CD2 3.89Å; E603-L605 VanDerWaalsContact C-N 3.28Å; E603-L605 PolarHBondContact O-N 2.87Å; L605-S608 PolarHBondContact O-N 3.25Å; L605-S608 PolarHBondContact O-OG 2.91Å; L605-L609 HydrophobicContact CD1-CD1 3.76Å; L605-L609 HydrophobicContact CD1-CG 4.24Å; L605-L609 HydrophobicContact CG-CD1 4.01Å; L605-L609 WeakPolarHBondContact O-CB 3.26Å; L605-L609 WeakPolarHBondContact O-CG 3.47Å; L605-L609 PolarHBondContact O-N 3.04Å; L605-L625 HydrophobicContact CD2-CD2 3.62Å; L605-L625 HydrophobicContact CG-CD2 4.26Å; L605-K653 HydrophobicContact CD1-CB 4.11Å; L605-K653 HydrophobicContact CD1-CG 3.58Å; L605-M654 HydrophobicContact CD2-CB 4.35Å; L605-M654 HydrophobicContact CD2-CG 3.34Å; L605-F657 HydrophobicContact CB-CE2 4.41Å; L605-F657 HydrophobicContact CB-CZ 4.4Å; L605-F657 HydrophobicContact CD1-CD2 3.96Å; L605-F657 HydrophobicContact CD1-CE2 4.28Å
606	K	97.6	Very high	96.7	Very high	45 Å²	45	24.9 Å²	24.9	20%	0.196	12%	0.124	C	C	.	.	H	α-helix	trans	-59.1	-46.6	175.8	-76.3	-179.3	-67.4	-171.5	0	111.7	L602 E603 S608 L609 N610 Y623 L625	L602-K606 WeakPolarHBondContact O-CB 3.48Å; L602-K606 VanDerWaalsContact O-CE 3.29Å; L602-K606 WeakPolarHBondContact O-CE 3.28Å; L602-K606 WeakPolarHBondContact O-CG 3.49Å; L602-K606 PolarHBondContact O-N 2.92Å; E603-K606 VanDerWaalsContact CD-CE 3.45Å; E603-K606 PolarHBondContact O-N 2.83Å; E603-K606 WeakPolarHBondContact OE1-CE 3.35Å; E603-K606 IonicContact OE1-NZ 3.4Å; E603-K606 PolarHBondContact OE1-NZ 3.41Å; E603-K606 WeakPolarHBondContact OE2-CE 3.48Å; E603-K606 IonicContact OE2-NZ 2.81Å; E603-K606 PolarHBondContact OE2-NZ 2.88Å; K606-S608 VanDerWaalsContact C-N 3.27Å; K606-S608 PolarHBondContact O-N 2.71Å; K606-L609 CarbonylContact O-C 3.56Å; K606-L609 PolarHBondContact O-N 3.02Å; K606-N610 PolarHBondContact O-N 2.92Å; K606-Y623 HydrophobicContact CG-CE2 4.12Å; K606-L625 HydrophobicContact CD-CB 4.24Å; K606-L625 WeakPolarHBondContact CD-O 3.41Å; K606-L625 WeakPolarHBondContact CE-O 3.41Å; K606-L625 HydrophobicContact CG-CB 4.33Å; K606-L625 HydrophobicContact CG-CD2 4.48Å; K606-L625 PolarHBondContact NZ-O 3.41Å
607	D	96.6	Very high	96.5	Very high	30 Å²	30	30 Å²	30	16%	0.16	15%	0.148	C	C	.	.	H	α-helix	trans	-55.5	-41.7	176.5	-173.7	70	0	0	0	112.1	K356 E603 N610 R663 I667	K356-D607 WeakPolarHBondContact CE-OD1 3.42Å; K356-D607 IonicContact NZ-OD1 3.57Å; K356-D607 PolarHBondContact NZ-OD1 3.27Å; E603-D607 VanDerWaalsContact O-CB 3.28Å; E603-D607 WeakPolarHBondContact O-CB 3.27Å; E603-D607 PolarHBondContact O-N 3.04Å; D607-N610 WeakPolarHBondContact O-CB 3.29Å; D607-R663 VanDerWaalsContact CG-NH2 3.25Å; D607-R663 IonicContact OD1-CZ 3.62Å; D607-R663 IonicContact OD1-NE 2.63Å; D607-R663 IonicContact OD1-NH2 3.47Å; D607-R663 PolarHBondContact OD1-NH2 2.75Å; D607-R663 IonicContact OD2-CZ 2.7Å; D607-R663 IonicContact OD2-NE 2.82Å; D607-R663 PolarHBondContact OD2-NE 3.08Å; D607-R663 IonicContact OD2-NH2 3.57Å; D607-R663 PolarHBondContact OD2-NH2 3.31Å; D607-R663 VanDerWaalsContact OD2-NH2 3.11Å; D607-I667 HydrophobicContact CB-CD1 3.73Å
608	S	95.9	Very high	96.3	Very high	53 Å²	53	32.3 Å²	32.3	37%	0.371	16%	0.16	S	C	.	.	H	α-helix	trans	-75.1	-21.5	176.5	82.1	0	0	0	0	115	L604 L605 K606 K653 F657	L604-S608 WeakPolarHBondContact O-CB 3.08Å; L604-S608 PolarHBondContact O-N 2.94Å; L605-S608 PolarHBondContact O-N 3.25Å; L605-S608 PolarHBondContact O-OG 2.91Å; K606-S608 VanDerWaalsContact C-N 3.27Å; K606-S608 PolarHBondContact O-N 2.71Å; S608-K653 WeakPolarHBondContact OG-CE 3.49Å; S608-F657 WeakPolarHBondContact OG-CE2 3.36Å
609	L	95.7	Very high	96.2	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.037	16%	0.161	C	C	.	.	H	α-helix	trans	-89.5	-18	177.5	-79.5	169.5	0	0	0	112.2	L605 K606 E611 Y612 A613 I650 K653	L605-L609 HydrophobicContact CD1-CD1 3.76Å; L605-L609 HydrophobicContact CD1-CG 4.24Å; L605-L609 HydrophobicContact CG-CD1 4.01Å; L605-L609 WeakPolarHBondContact O-CB 3.26Å; L605-L609 WeakPolarHBondContact O-CG 3.47Å; L605-L609 PolarHBondContact O-N 3.04Å; K606-L609 CarbonylContact O-C 3.56Å; K606-L609 PolarHBondContact O-N 3.02Å; L609-E611 PolarHBondContact O-N 2.83Å; L609-Y612 PolarHBondContact O-N 2.79Å; L609-A613 WeakPolarHBondContact O-CB 3.38Å; L609-A613 PolarHBondContact O-N 2.78Å; L609-I650 HydrophobicContact CD1-CG1 4.17Å; L609-K653 HydrophobicContact CD2-CB 3.96Å; L609-K653 HydrophobicContact CD2-CG 3.85Å; L609-K653 HydrophobicContact CG-CB 4.48Å; L609-K653 HydrophobicContact CG-CG 4.03Å
610	N	95	Very high	96.1	Very high	43 Å²	43	31 Å²	31	23%	0.23	16%	0.163	C	C	.	.	H	α-helix	trans	-52.2	-51.1	-168.8	-156.3	84	0	0	0	113.3	E346 K606 D607 Y612 A613 Y614	E346-N610 PolarHBondContact OE2-ND2 2.92Å; K606-N610 PolarHBondContact O-N 2.92Å; D607-N610 WeakPolarHBondContact O-CB 3.29Å; N610-Y612 PolarHBondContact O-N 2.76Å; N610-Y612 VanDerWaalsContact O-N 3.15Å; N610-A613 PolarHBondContact O-N 2.69Å; N610-Y614 VanDerWaalsContact O-CB 3.31Å; N610-Y614 WeakPolarHBondContact O-CB 3.12Å; N610-Y614 PolarHBondContact O-N 2.88Å
611	E	91.9	Very high	96	Very high	75 Å²	75	31.2 Å²	31.2	35%	0.35	17%	0.165	S	C	.	.	H	α-helix	trans	-60.6	-28.5	-178.8	-60.8	-162.4	157.3	0	0	113.5	E346 G347 P348 S353 L609	E346-E611 WeakPolarHBondContact O-CA 3.15Å; G347-E611 WeakPolarHBondContact CA-O 2.91Å; P348-E611 HydrophobicContact CG-CB 4.14Å; S353-E611 WeakPolarHBondContact CB-OE1 2.89Å; S353-E611 PolarHBondContact OG-OE1 2.88Å; L609-E611 PolarHBondContact O-N 2.83Å
612	Y	92.3	Very high	95.9	Very high	89 Å²	89	34.1 Å²	34.1	35%	0.349	18%	0.18	S	C	.	.	H	α-helix	trans	-88.1	-41.8	178.2	178	-93.9	0	0	0	112	F535 L609 N610 L646 K649	F535-Y612 HydrophobicContact CE2-CD1 4.41Å; F535-Y612 AromaticContact CE2-CE1 3.88Å; F535-Y612 HydrophobicContact CE2-CE1 3.88Å; F535-Y612 HydrophobicContact CE2-CE2 4.19Å; F535-Y612 AromaticContact CE2-CZ 3.76Å; F535-Y612 HydrophobicContact CZ-CD1 4.46Å; F535-Y612 AromaticContact CZ-CE1 3.59Å; F535-Y612 HydrophobicContact CZ-CE1 3.59Å; F535-Y612 HydrophobicContact CZ-CE2 4.42Å; F535-Y612 AromaticContact CZ-CZ 3.57Å; F535-Y612 WeakPolarHBondContact CZ-OH 3.42Å; L609-Y612 PolarHBondContact O-N 2.79Å; N610-Y612 PolarHBondContact O-N 2.76Å; N610-Y612 VanDerWaalsContact O-N 3.15Å; Y612-L646 HydrophobicContact CD1-CD1 4.45Å; Y612-L646 HydrophobicContact CE1-CD1 4.19Å; Y612-K649 HydrophobicContact CD1-CG 3.96Å; Y612-K649 HydrophobicContact CE1-CB 3.85Å; Y612-K649 HydrophobicContact CE1-CG 3.51Å
613	A	94.5	Very high	95.8	Very high	8 Å²	8	36.5 Å²	36.5	7%	0.066	19%	0.189	C	C	.	.	H	α-helix	trans	-75.5	-27.4	-176.1	0	0	0	0	0	113.2	L609 N610 A615 A616 E617 Y623 L646	L609-A613 WeakPolarHBondContact O-CB 3.38Å; L609-A613 PolarHBondContact O-N 2.78Å; N610-A613 PolarHBondContact O-N 2.69Å; A613-A615 VanDerWaalsContact C-N 3.27Å; A613-A615 PolarHBondContact O-N 2.84Å; A613-A616 WeakPolarHBondContact O-CA 3.43Å; A613-A616 VanDerWaalsContact O-CB 3.32Å; A613-A616 WeakPolarHBondContact O-CB 3.43Å; A613-A616 PolarHBondContact O-N 3.46Å; A613-E617 PolarHBondContact O-N 3.1Å; A613-Y623 HydrophobicContact CB-CD1 4.25Å; A613-Y623 HydrophobicContact CB-CE1 3.61Å; A613-L646 HydrophobicContact CB-CD1 4.49Å
614	Y	95	Very high	95.8	Very high	31 Å²	31	37.1 Å²	37.1	12%	0.122	19%	0.194	C	C	.	.	H	α-helix	trans	-57.9	-37.9	178.4	-175.9	-101.2	0	0	0	112.9	G344 H345 E346 N610 A616 E617 L618	G344-Y614 PolarHBondContact O-OH 3.08Å; H345-Y614 HydrophobicContact CB-CE1 4.48Å; H345-Y614 AromaticContact CD2-CE1 3.58Å; H345-Y614 AromaticContact CG-CE1 3.96Å; H345-Y614 AromaticContact NE2-CE1 3.92Å; E346-Y614 HydrophobicContact CB-CD1 4.13Å; E346-Y614 HydrophobicContact CB-CD2 3.55Å; E346-Y614 HydrophobicContact CB-CE1 4.41Å; E346-Y614 HydrophobicContact CB-CE2 3.85Å; E346-Y614 HydrophobicContact CB-CG 3.68Å; E346-Y614 HydrophobicContact CG-CD2 3.69Å; E346-Y614 HydrophobicContact CG-CE2 3.52Å; E346-Y614 HydrophobicContact CG-CG 4.31Å; E346-Y614 VanDerWaalsContact N-CE1 3.32Å; N610-Y614 VanDerWaalsContact O-CB 3.31Å; N610-Y614 WeakPolarHBondContact O-CB 3.12Å; N610-Y614 PolarHBondContact O-N 2.88Å; Y614-A616 VanDerWaalsContact C-N 3.32Å; Y614-A616 PolarHBondContact O-N 2.76Å; Y614-E617 PolarHBondContact O-N 3.43Å; Y614-L618 HydrophobicContact CD1-CD1 3.9Å; Y614-L618 HydrophobicContact CD1-CG 4.26Å; Y614-L618 HydrophobicContact CE1-CD1 3.46Å; Y614-L618 VanDerWaalsContact CE1-CD1 3.46Å; Y614-L618 HydrophobicContact CE1-CD2 4.39Å; Y614-L618 HydrophobicContact CE1-CG 3.92Å; Y614-L618 WeakPolarHBondContact O-CG 3.13Å; Y614-L618 PolarHBondContact O-N 2.91Å
615	A	93.8	Very high	95.8	Very high	26 Å²	26	37 Å²	37	22%	0.215	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-38.3	173.4	0	0	0	0	0	112	N533 F535 A613 A619	N533-A615 PolarHBondContact ND2-O 3.42Å; N533-A615 PolarHBondContact OD1-O 3.37Å; F535-A615 HydrophobicContact CD2-CB 4.01Å; A613-A615 VanDerWaalsContact C-N 3.27Å; A613-A615 PolarHBondContact O-N 2.84Å; A615-A619 WeakPolarHBondContact O-CB 3.28Å; A615-A619 PolarHBondContact O-N 2.94Å; A615-A619 VanDerWaalsContact O-N 3.13Å
616	A	96.1	Very high	95.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.5	-41.3	173.9	0	0	0	0	0	112.1	F535 A613 Y614 A619 G620 L621 L646	F535-A616 HydrophobicContact CB-CB 4.19Å; F535-A616 HydrophobicContact CD1-CB 3.75Å; F535-A616 HydrophobicContact CD2-CB 3.81Å; F535-A616 HydrophobicContact CE1-CB 3.99Å; F535-A616 HydrophobicContact CE2-CB 4.03Å; F535-A616 HydrophobicContact CG-CB 3.65Å; F535-A616 HydrophobicContact CZ-CB 4.11Å; A613-A616 WeakPolarHBondContact O-CA 3.43Å; A613-A616 VanDerWaalsContact O-CB 3.32Å; A613-A616 WeakPolarHBondContact O-CB 3.43Å; A613-A616 PolarHBondContact O-N 3.46Å; Y614-A616 VanDerWaalsContact C-N 3.32Å; Y614-A616 PolarHBondContact O-N 2.76Å; A616-A619 CarbonylContact O-C 3.6Å; A616-A619 WeakPolarHBondContact O-CA 3.04Å; A616-A619 WeakPolarHBondContact O-CB 3.36Å; A616-A619 PolarHBondContact O-N 2.7Å; A616-G620 PolarHBondContact O-N 3.21Å; A616-L621 CarbonylContact C-O 3.59Å; A616-L621 HydrophobicContact CB-CB 4.23Å; A616-L621 HydrophobicContact CB-CD2 4.43Å; A616-L621 HydrophobicContact CB-CG 4.2Å; A616-L621 WeakPolarHBondContact CB-O 3.14Å; A616-L621 CarbonylContact O-C 3.59Å; A616-L621 WeakPolarHBondContact O-CA 3.28Å; A616-L621 WeakPolarHBondContact O-CB 3.24Å; A616-L621 PolarHBondContact O-N 3.42Å; A616-L646 HydrophobicContact CB-CD2 4.01Å
617	E	95.6	Very high	95.8	Very high	108 Å²	108	40.4 Å²	40.4	51%	0.505	21%	0.211	S	C	.	.	H	α-helix	trans	-62.9	-45.9	177.3	174.2	149.5	-140.1	0	0	112.2	A613 Y614 A619 G620 L621 N622	A613-E617 PolarHBondContact O-N 3.1Å; Y614-E617 PolarHBondContact O-N 3.43Å; E617-A619 PolarHBondContact O-N 3.29Å; E617-G620 PolarHBondContact O-N 2.98Å; E617-L621 PolarHBondContact N-O 3.21Å; E617-N622 PolarHBondContact OE1-ND2 3.23Å
618	L	93.7	Very high	95.9	Very high	55 Å²	55	40.3 Å²	40.3	29%	0.288	21%	0.212	S	C	.	.	H	α-helix	trans	-58.2	-32.8	171.2	-70.7	179.4	0	0	0	112.5	Y614 G620	Y614-L618 HydrophobicContact CD1-CD1 3.9Å; Y614-L618 HydrophobicContact CD1-CG 4.26Å; Y614-L618 HydrophobicContact CE1-CD1 3.46Å; Y614-L618 VanDerWaalsContact CE1-CD1 3.46Å; Y614-L618 HydrophobicContact CE1-CD2 4.39Å; Y614-L618 HydrophobicContact CE1-CG 3.92Å; Y614-L618 WeakPolarHBondContact O-CG 3.13Å; Y614-L618 PolarHBondContact O-N 2.91Å; L618-G620 PolarHBondContact O-N 2.9Å
619	A	96.1	Very high	95.9	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.025	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	2.8	174.7	0	0	0	0	0	114.3	L422 F535 A615 A616 E617 Y639	L422-A619 HydrophobicContact CD2-CB 4.4Å; F535-A619 VanDerWaalsContact C-CB 3.46Å; F535-A619 HydrophobicContact CB-CB 3.71Å; F535-A619 WeakPolarHBondContact O-CB 3.09Å; A615-A619 WeakPolarHBondContact O-CB 3.28Å; A615-A619 PolarHBondContact O-N 2.94Å; A615-A619 VanDerWaalsContact O-N 3.13Å; A616-A619 CarbonylContact O-C 3.6Å; A616-A619 WeakPolarHBondContact O-CA 3.04Å; A616-A619 WeakPolarHBondContact O-CB 3.36Å; A616-A619 PolarHBondContact O-N 2.7Å; E617-A619 PolarHBondContact O-N 3.29Å; A619-Y639 VanDerWaalsContact O-CD2 3.26Å; A619-Y639 WeakPolarHBondContact O-CD2 3.48Å; A619-Y639 WeakPolarHBondContact O-CE2 3.28Å
620	G	96.6	Very high	95.9	Very high	27 Å²	27	42.1 Å²	42.1	28%	0.278	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	33	-177.9	0	0	0	0	0	113.8	A616 E617 L618 G638 Y639	A616-G620 PolarHBondContact O-N 3.21Å; E617-G620 PolarHBondContact O-N 2.98Å; L618-G620 PolarHBondContact O-N 2.9Å; G620-G638 WeakPolarHBondContact O-CA 3.48Å; G620-Y639 WeakPolarHBondContact O-CD2 3.45Å; G620-Y639 PolarHBondContact O-N 3.18Å
621	L	97.3	Very high	96.1	Very high	5 Å²	5	40 Å²	40	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	95.8	176.8	172.2	53.7	0	0	0	110.1	F535 A616 E617 V636 K642 Q643 L646	F535-L621 HydrophobicContact CD1-CD2 4.09Å; F535-L621 HydrophobicContact CE1-CD2 4.34Å; A616-L621 CarbonylContact C-O 3.59Å; A616-L621 HydrophobicContact CB-CB 4.23Å; A616-L621 HydrophobicContact CB-CD2 4.43Å; A616-L621 HydrophobicContact CB-CG 4.2Å; A616-L621 WeakPolarHBondContact CB-O 3.14Å; A616-L621 CarbonylContact O-C 3.59Å; A616-L621 WeakPolarHBondContact O-CA 3.28Å; A616-L621 WeakPolarHBondContact O-CB 3.24Å; A616-L621 PolarHBondContact O-N 3.42Å; E617-L621 PolarHBondContact N-O 3.21Å; L621-V636 HydrophobicContact CD1-CG1 3.73Å; L621-K642 HydrophobicContact CD2-CB 4.13Å; L621-Q643 HydrophobicContact CD1-CB 4.42Å; L621-Q643 HydrophobicContact CD1-CG 3.44Å; L621-Q643 VanDerWaalsContact CD1-CG 3.44Å; L621-L646 HydrophobicContact CD1-CD2 4.21Å; L621-L646 HydrophobicContact CD2-CB 4.16Å; L621-L646 HydrophobicContact CD2-CD2 4.31Å; L621-L646 HydrophobicContact CG-CD2 3.81Å
622	N	96.1	Very high	96.4	Very high	60 Å²	60	36.5 Å²	36.5	32%	0.321	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	158	-170.2	-56.3	32.6	0	0	0	110.5	E617 K637	E617-N622 PolarHBondContact OE1-ND2 3.23Å; N622-K637 PolarHBondContact N-O 3.12Å; N622-K637 PolarHBondContact O-N 2.8Å
623	Y	97.9	Very high	96.7	Very high	51 Å²	51	33.7 Å²	33.7	20%	0.2	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	159.2	170.3	81	-67.3	0	0	0	111.9	K606 A613 L625 L634 S635 I650	K606-Y623 HydrophobicContact CG-CE2 4.12Å; A613-Y623 HydrophobicContact CB-CD1 4.25Å; A613-Y623 HydrophobicContact CB-CE1 3.61Å; Y623-L625 HydrophobicContact CD2-CB 4.04Å; Y623-L625 HydrophobicContact CE2-CB 3.97Å; Y623-L625 HydrophobicContact CE2-CD2 4.25Å; Y623-L634 HydrophobicContact CD2-CD1 4.15Å; Y623-S635 CarbonylContact C-O 3.6Å; Y623-S635 WeakPolarHBondContact CA-O 3.47Å; Y623-I650 HydrophobicContact CD1-CD1 4.39Å; Y623-I650 HydrophobicContact CD2-CD1 3.61Å; Y623-I650 HydrophobicContact CD2-CG1 4.36Å; Y623-I650 HydrophobicContact CE2-CD1 4.24Å; Y623-I650 HydrophobicContact CG-CD1 3.69Å
624	D	97.9	Very high	96.9	Very high	59 Å²	59	33.3 Å²	33.3	32%	0.316	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	126.6	177	171.7	8.5	0	0	0	107.1	Q626 Y633 L634 S635	D624-Q626 PolarHBondContact OD1-NE2 3.48Å; D624-Q626 PolarHBondContact OD2-NE2 2.86Å; D624-Y633 WeakPolarHBondContact OD2-CE1 3.43Å; D624-L634 CarbonylContact O-C 3.57Å; D624-L634 WeakPolarHBondContact O-CA 3.35Å; D624-S635 PolarHBondContact N-O 3.49Å; D624-S635 PolarHBondContact O-N 3.33Å
625	L	97.8	Very high	97.1	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	120.9	-173.8	-179.5	56.6	0	0	0	110.6	L602 L605 K606 Y623 Y633 L634 I650	L602-L625 HydrophobicContact CD1-CD1 4.32Å; L602-L625 HydrophobicContact CD2-CD1 4.05Å; L602-L625 HydrophobicContact CD2-CD2 4.21Å; L602-L625 HydrophobicContact CD2-CG 4.09Å; L605-L625 HydrophobicContact CD2-CD2 3.62Å; L605-L625 HydrophobicContact CG-CD2 4.26Å; K606-L625 HydrophobicContact CD-CB 4.24Å; K606-L625 WeakPolarHBondContact CD-O 3.41Å; K606-L625 WeakPolarHBondContact CE-O 3.41Å; K606-L625 HydrophobicContact CG-CB 4.33Å; K606-L625 HydrophobicContact CG-CD2 4.48Å; K606-L625 PolarHBondContact NZ-O 3.41Å; Y623-L625 HydrophobicContact CD2-CB 4.04Å; Y623-L625 HydrophobicContact CE2-CB 3.97Å; Y623-L625 HydrophobicContact CE2-CD2 4.25Å; L625-Y633 WeakPolarHBondContact CA-O 3.13Å; L625-Y633 WeakPolarHBondContact CD1-O 3.2Å; L625-L634 HydrophobicContact CB-CD1 4.23Å; L625-L634 HydrophobicContact CD1-CB 4.21Å; L625-L634 HydrophobicContact CD1-CD1 4.24Å; L625-I650 HydrophobicContact CD2-CG2 4.34Å
626	Q	98	Very high	97.3	Very high	83 Å²	83	30.6 Å²	30.6	39%	0.388	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	155.2	-172.8	50.8	-176.5	-46.1	0	0	111.2	D624 Y633	D624-Q626 PolarHBondContact OD1-NE2 3.48Å; D624-Q626 PolarHBondContact OD2-NE2 2.86Å; Q626-Y633 HydrophobicContact CG-CD1 3.87Å; Q626-Y633 PolarHBondContact N-O 2.78Å; Q626-Y633 VanDerWaalsContact N-O 3.17Å; Q626-Y633 PolarHBondContact O-N 2.9Å
627	N	98.2	Very high	97.4	Very high	34 Å²	34	33.9 Å²	33.9	18%	0.182	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	146.1	173.1	64.6	-46.2	0	0	0	110.3	A598 L602	A598-N627 HydrophobicContact CB-CB 3.99Å; L602-N627 HydrophobicContact CD1-CB 4.04Å
628	T	97.6	Very high	97.5	Very high	29 Å²	29	29.4 Å²	29.4	18%	0.178	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	165.7	174.7	78.9	0	0	0	0	109.4	E582 Y630 G631	E582-T628 WeakPolarHBondContact OE1-CB 3.02Å; E582-T628 WeakPolarHBondContact OE1-CG2 3.43Å; E582-T628 PolarHBondContact OE1-OG1 3.4Å; T628-Y630 PolarHBondContact O-N 2.91Å; T628-Y630 PolarHBondContact OG1-N 3.37Å; T628-G631 PolarHBondContact N-O 2.99Å; T628-G631 PolarHBondContact O-N 3.35Å; T628-G631 PolarHBondContact OG1-N 2.62Å
629	V	96.4	Very high	97.7	Very high	56 Å²	56	27.6 Å²	27.6	34%	0.339	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-2.8	173.9	-54.3	0	0	0	0	113.3	Y589 Y771	Y589-V629 WeakPolarHBondContact CB-O 3.42Å; Y589-V629 HydrophobicContact CD1-CB 4Å; Y589-V629 HydrophobicContact CD1-CG1 4.36Å; Y589-V629 HydrophobicContact CD2-CB 4.35Å; Y589-V629 HydrophobicContact CD2-CG1 4.29Å; Y589-V629 HydrophobicContact CE1-CB 4.11Å; Y589-V629 HydrophobicContact CE1-CG1 4.01Å; Y589-V629 HydrophobicContact CE2-CB 4.45Å; Y589-V629 HydrophobicContact CE2-CG1 3.94Å; Y589-V629 HydrophobicContact CG-CB 4.13Å; Y589-V629 HydrophobicContact CG-CG1 4.5Å; V629-Y771 HydrophobicContact CB-CD2 4.44Å; V629-Y771 HydrophobicContact CB-CE2 4.04Å; V629-Y771 HydrophobicContact CG2-CD2 4.02Å; V629-Y771 HydrophobicContact CG2-CE2 4.06Å; V629-Y771 WeakPolarHBondContact O-CE2 3.43Å
630	Y	97.1	Very high	97.8	Very high	41 Å²	41	28.1 Å²	28.1	16%	0.161	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-5.5	179.6	-60.7	-61.6	0	0	0	113.7	F584 S585 T628 R770 Y771	F584-Y630 WeakPolarHBondContact CA-O 3.42Å; S585-Y630 PolarHBondContact N-O 3.2Å; T628-Y630 PolarHBondContact O-N 2.91Å; T628-Y630 PolarHBondContact OG1-N 3.37Å; Y630-R770 HydrophobicContact CE1-CB 4.44Å; Y630-R770 VanDerWaalsContact CE2-NH1 3.26Å; Y630-Y771 HydrophobicContact CD1-CD2 4.42Å; Y630-Y771 HydrophobicContact CD1-CE2 4.35Å; Y630-Y771 AromaticContact CE1-CD2 3.56Å; Y630-Y771 HydrophobicContact CE1-CD2 3.56Å; Y630-Y771 AromaticContact CE1-CE2 3.9Å; Y630-Y771 HydrophobicContact CE1-CE2 3.9Å; Y630-Y771 HydrophobicContact CE1-CG 4.24Å; Y630-Y771 AromaticContact CZ-CD2 3.84Å; Y630-Y771 PolarHBondContact OH-N 2.75Å
631	G	97.7	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.5	-125	-167.5	0	0	0	0	0	113.9	F583 A588 T628	F583-G631 CarbonylContact O-C 3.47Å; F583-G631 VanDerWaalsContact O-CA 3.23Å; F583-G631 WeakPolarHBondContact O-CA 3.23Å; A588-G631 VanDerWaalsContact CB-CA 3.43Å; T628-G631 PolarHBondContact N-O 2.99Å; T628-G631 PolarHBondContact O-N 3.35Å; T628-G631 PolarHBondContact OG1-N 2.62Å
632	M	98.6	Very high	97.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.6	-178.3	-48	174.6	-73.5	0	0	110.2	F583 Y601 L602 M654 L724 L725	F583-M632 HydrophobicContact CB-CB 4.29Å; F583-M632 HydrophobicContact CB-CE 3.78Å; F583-M632 HydrophobicContact CD2-CB 4.36Å; F583-M632 HydrophobicContact CG-CE 4.15Å; F583-M632 PolarHBondContact N-O 2.92Å; F583-M632 PolarHBondContact O-N 3.44Å; Y601-M632 HydrophobicContact CE1-SD 3.89Å; L602-M632 HydrophobicContact CD1-CB 4.17Å; L602-M632 HydrophobicContact CD1-CG 4.03Å; L602-M632 HydrophobicContact CD1-SD 4.43Å; L602-M632 HydrophobicContact CD2-SD 4.1Å; M632-M654 HydrophobicContact CE-CE 3.81Å; M632-M654 HydrophobicContact SD-CE 3.95Å; M632-L724 HydrophobicContact SD-CD2 3.86Å; M632-L725 HydrophobicContact CE-CD2 3.71Å
633	Y	98.7	Very high	97.9	Very high	29 Å²	29	27 Å²	27	11%	0.114	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.8	173.2	165	-101.3	0	0	0	109.8	N580 F581 D624 L625 Q626 S635 W913	N580-Y633 HydrophobicContact CB-CE2 4.42Å; F581-Y633 WeakPolarHBondContact O-CA 3.49Å; D624-Y633 WeakPolarHBondContact OD2-CE1 3.43Å; L625-Y633 WeakPolarHBondContact CA-O 3.13Å; L625-Y633 WeakPolarHBondContact CD1-O 3.2Å; Q626-Y633 HydrophobicContact CG-CD1 3.87Å; Q626-Y633 PolarHBondContact N-O 2.78Å; Q626-Y633 VanDerWaalsContact N-O 3.17Å; Q626-Y633 PolarHBondContact O-N 2.9Å; Y633-S635 VanDerWaalsContact OH-CB 3.3Å; Y633-S635 WeakPolarHBondContact OH-CB 2.87Å; Y633-W913 AromaticContact CD2-CZ2 3.83Å; Y633-W913 HydrophobicContact CD2-CZ2 3.83Å; Y633-W913 AromaticContact CD2-NE1 3.93Å; Y633-W913 AromaticContact CE2-CE2 3.7Å; Y633-W913 AromaticContact CE2-CZ2 3.78Å; Y633-W913 HydrophobicContact CE2-CZ2 3.78Å; Y633-W913 AromaticContact CE2-NE1 3.34Å; Y633-W913 VanDerWaalsContact CE2-NE1 3.34Å
634	L	98.8	Very high	97.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.9	171.2	177.1	62	0	0	0	109.1	F581 F583 Y623 D624 L625 V636 L647 I650 I651	F581-L634 HydrophobicContact CB-CB 4.44Å; F581-L634 HydrophobicContact CD2-CB 4.42Å; F581-L634 HydrophobicContact CD2-CD2 4.28Å; F581-L634 HydrophobicContact CD2-CG 4.33Å; F581-L634 PolarHBondContact N-O 3.33Å; F581-L634 PolarHBondContact O-N 2.99Å; F583-L634 HydrophobicContact CE2-CB 3.8Å; F583-L634 HydrophobicContact CE2-CD2 4.36Å; Y623-L634 HydrophobicContact CD2-CD1 4.15Å; D624-L634 CarbonylContact O-C 3.57Å; D624-L634 WeakPolarHBondContact O-CA 3.35Å; L625-L634 HydrophobicContact CB-CD1 4.23Å; L625-L634 HydrophobicContact CD1-CB 4.21Å; L625-L634 HydrophobicContact CD1-CD1 4.24Å; L634-V636 HydrophobicContact CD1-CG2 4.42Å; L634-V636 HydrophobicContact CG-CG2 4.5Å; L634-L647 HydrophobicContact CD2-CD1 3.79Å; L634-I650 HydrophobicContact CD1-CD1 4.32Å; L634-I650 HydrophobicContact CD1-CG2 4.05Å; L634-I650 HydrophobicContact CD2-CG2 4.02Å; L634-I651 HydrophobicContact CD2-CD1 3.79Å
635	S	98.6	Very high	97.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.5	168.2	-179.5	0	0	0	0	110.9	L579 N580 Y623 D624 Y633 K637	L579-S635 CarbonylContact O-C 3.4Å; L579-S635 VanDerWaalsContact O-CA 3.27Å; L579-S635 WeakPolarHBondContact O-CA 3.44Å; N580-S635 WeakPolarHBondContact OD1-CB 3.36Å; N580-S635 PolarHBondContact OD1-OG 3.06Å; Y623-S635 CarbonylContact C-O 3.6Å; Y623-S635 WeakPolarHBondContact CA-O 3.47Å; D624-S635 PolarHBondContact N-O 3.49Å; D624-S635 PolarHBondContact O-N 3.33Å; Y633-S635 VanDerWaalsContact OH-CB 3.3Å; Y633-S635 WeakPolarHBondContact OH-CB 2.87Å; S635-K637 VanDerWaalsContact OG-CE 3.24Å; S635-K637 WeakPolarHBondContact OG-CE 3.37Å; S635-K637 PolarHBondContact OG-NZ 3Å
636	V	98.6	Very high	97.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.2	173.6	-175	0	0	0	0	108.5	C578 L579 L621 L634 Q643 L646 L647 I650	C578-V636 WeakPolarHBondContact CA-O 3.18Å; L579-V636 HydrophobicContact CB-CB 4.44Å; L579-V636 PolarHBondContact N-O 2.9Å; L579-V636 PolarHBondContact O-N 2.87Å; L621-V636 HydrophobicContact CD1-CG1 3.73Å; L634-V636 HydrophobicContact CD1-CG2 4.42Å; L634-V636 HydrophobicContact CG-CG2 4.5Å; V636-Q643 HydrophobicContact CG1-CG 4.08Å; V636-L646 HydrophobicContact CG1-CD2 4.4Å; V636-L647 HydrophobicContact CG2-CB 4.46Å; V636-L647 HydrophobicContact CG2-CD1 4.11Å; V636-I650 HydrophobicContact CG2-CD1 4.34Å
637	K	98	Very high	97.8	Very high	69 Å²	69	25.8 Å²	25.8	30%	0.3	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	132.9	-173	-54.8	-174.4	-175.1	77.1	0	110.6	C578 N622 S635	C578-K637 HydrophobicContact CB-CG 4.43Å; N622-K637 PolarHBondContact N-O 3.12Å; N622-K637 PolarHBondContact O-N 2.8Å; S635-K637 VanDerWaalsContact OG-CE 3.24Å; S635-K637 WeakPolarHBondContact OG-CE 3.37Å; S635-K637 PolarHBondContact OG-NZ 3Å
638	G	98	Very high	97.8	Very high	14 Å²	14	28.6 Å²	28.6	14%	0.144	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.3	-154.2	179.3	0	0	0	0	0	112.7	K576 A577 G620 Q643	K576-G638 WeakPolarHBondContact CA-O 3.45Å; K576-G638 VanDerWaalsContact CB-O 3.28Å; K576-G638 WeakPolarHBondContact CB-O 3.36Å; A577-G638 PolarHBondContact N-O 2.84Å; A577-G638 VanDerWaalsContact N-O 3.11Å; A577-G638 PolarHBondContact O-N 3.14Å; G620-G638 WeakPolarHBondContact O-CA 3.48Å; G638-Q643 PolarHBondContact O-NE2 3.33Å
639	Y	98.4	Very high	97.8	Very high	17 Å²	17	30.9 Å²	30.9	7%	0.067	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	133.2	175.1	-60.1	-73.3	0	0	0	112.4	V425 F429 P537 F540 P575 K576 A619 G620 D641 Q643	V425-Y639 HydrophobicContact CG1-CE1 4.16Å; V425-Y639 HydrophobicContact CG1-CE2 4.25Å; F429-Y639 HydrophobicContact CB-CE1 3.8Å; F429-Y639 AromaticContact CD2-CE1 3.96Å; F429-Y639 HydrophobicContact CD2-CE1 3.96Å; F429-Y639 HydrophobicContact CG-CE1 4.23Å; P537-Y639 HydrophobicContact CB-CD2 4.32Å; P537-Y639 HydrophobicContact CB-CG 4.07Å; P537-Y639 HydrophobicContact CG-CD2 3.69Å; P537-Y639 HydrophobicContact CG-CE2 4.19Å; P537-Y639 HydrophobicContact CG-CG 3.88Å; F540-Y639 HydrophobicContact CE1-CD1 4.23Å; F540-Y639 HydrophobicContact CE1-CE1 4.46Å; P575-Y639 HydrophobicContact CG-CD1 4.26Å; P575-Y639 VanDerWaalsContact O-CA 3.26Å; P575-Y639 WeakPolarHBondContact O-CA 3.35Å; K576-Y639 HydrophobicContact CG-CD1 4.09Å; K576-Y639 HydrophobicContact CG-CE1 4.35Å; A619-Y639 VanDerWaalsContact O-CD2 3.26Å; A619-Y639 WeakPolarHBondContact O-CD2 3.48Å; A619-Y639 WeakPolarHBondContact O-CE2 3.28Å; G620-Y639 WeakPolarHBondContact O-CD2 3.45Å; G620-Y639 PolarHBondContact O-N 3.18Å; Y639-D641 VanDerWaalsContact C-N 3.31Å; Y639-D641 PolarHBondContact O-N 3.24Å; Y639-Q643 WeakPolarHBondContact O-CG 3.4Å
640	N	97.8	Very high	97.9	Very high	14 Å²	14	28.3 Å²	28.3	8%	0.075	13%	0.131	C	C	.	.	S	Bend	trans	-72.1	-20.4	-171	65.5	-94.2	0	0	0	114.4	P575 K576 A577 K642 N737 I738	P575-N640 WeakPolarHBondContact CA-OD1 3.44Å; P575-N640 PolarHBondContact O-N 3Å; P575-N640 VanDerWaalsContact O-N 3.12Å; P575-N640 PolarHBondContact O-OD1 3.15Å; P575-N640 VanDerWaalsContact O-OD1 3.09Å; K576-N640 PolarHBondContact N-OD1 3.44Å; A577-N640 HydrophobicContact CB-CB 4.3Å; N640-K642 PolarHBondContact O-N 3.46Å; N640-N737 PolarHBondContact OD1-ND2 3.07Å; N640-I738 HydrophobicContact CB-CG2 4.47Å
641	D	98.1	Very high	98	Very high	29 Å²	29	26.3 Å²	26.3	16%	0.155	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-58.6	-177.2	-170.4	16.2	0	0	0	112.6	P537 T538 N539 Y639 H644	P537-D641 HydrophobicContact CB-CB 4.33Å; T538-D641 PolarHBondContact N-OD2 2.96Å; T538-D641 PolarHBondContact OG1-OD2 3.34Å; N539-D641 HydrophobicContact CB-CB 4.28Å; N539-D641 WeakPolarHBondContact CB-OD1 3.45Å; N539-D641 PolarHBondContact N-OD2 3.5Å; Y639-D641 VanDerWaalsContact C-N 3.31Å; Y639-D641 PolarHBondContact O-N 3.24Å; D641-H644 PolarHBondContact O-CE1 2.76Å; D641-H644 PolarHBondContact O-ND1 2.93Å; D641-H644 VanDerWaalsContact O-ND1 3.14Å
642	K	97.8	Very high	98	Very high	39 Å²	39	28.7 Å²	28.7	17%	0.17	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	8.9	-172.1	-63.7	175.9	-177.8	174.1	0	114.2	E534 F535 I536 L621 N640 H644 I645 L646	E534-K642 PolarHBondContact O-NZ 2.95Å; F535-K642 HydrophobicContact CD1-CB 4.09Å; F535-K642 HydrophobicContact CD1-CD 4.49Å; F535-K642 WeakPolarHBondContact O-CD 3.4Å; I536-K642 PolarHBondContact O-NZ 2.78Å; L621-K642 HydrophobicContact CD2-CB 4.13Å; N640-K642 PolarHBondContact O-N 3.46Å; K642-H644 VanDerWaalsContact C-N 3.3Å; K642-H644 PolarHBondContact O-N 2.96Å; K642-I645 HydrophobicContact CB-CD1 4.15Å; K642-I645 HydrophobicContact CG-CD1 4.04Å; K642-I645 WeakPolarHBondContact O-CB 3.37Å; K642-I645 PolarHBondContact O-N 3.1Å; K642-I645 VanDerWaalsContact O-N 3.11Å; K642-L646 PolarHBondContact O-N 3.28Å
643	Q	96.7	Very high	98	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.009	15%	0.146	C	C	.	.	H	α-helix	trans	-54.6	-44	177.9	-91.8	-178	18.9	0	0	113.3	A577 L579 L621 V636 G638 Y639 I645 L646 L647	A577-Q643 PolarHBondContact O-NE2 2.92Å; L579-Q643 HydrophobicContact CD1-CB 4.24Å; L621-Q643 HydrophobicContact CD1-CB 4.42Å; L621-Q643 HydrophobicContact CD1-CG 3.44Å; L621-Q643 VanDerWaalsContact CD1-CG 3.44Å; V636-Q643 HydrophobicContact CG1-CG 4.08Å; G638-Q643 PolarHBondContact O-NE2 3.33Å; Y639-Q643 WeakPolarHBondContact O-CG 3.4Å; Q643-I645 PolarHBondContact O-N 3.35Å; Q643-L646 PolarHBondContact O-N 2.91Å; Q643-L647 VanDerWaalsContact O-CB 3.28Å; Q643-L647 WeakPolarHBondContact O-CB 3.49Å; Q643-L647 PolarHBondContact O-N 3.19Å
644	H	96.5	Very high	97.9	Very high	96 Å²	96	29.8 Å²	29.8	44%	0.444	14%	0.14	S	C	.	.	H	α-helix	trans	-64	-29.6	-178.5	67.4	-84.4	0	0	0	112.5	D641 K642 K648 M746	D641-H644 PolarHBondContact O-CE1 2.76Å; D641-H644 PolarHBondContact O-ND1 2.93Å; D641-H644 VanDerWaalsContact O-ND1 3.14Å; K642-H644 VanDerWaalsContact C-N 3.3Å; K642-H644 PolarHBondContact O-N 2.96Å; H644-K648 VanDerWaalsContact O-CB 3.25Å; H644-K648 WeakPolarHBondContact O-CB 3.4Å; H644-K648 PolarHBondContact O-N 3.33Å; H644-M746 HydrophobicContact CB-CG 4.4Å; H644-M746 HydrophobicContact CB-SD 4.31Å
645	I	97.3	Very high	97.8	Very high	71 Å²	71	30.5 Å²	30.5	36%	0.364	15%	0.146	S	C	.	.	H	α-helix	trans	-70.6	-52.1	176.9	-49.8	-178.7	0	0	0	109.9	K642 Q643 K648 K649	K642-I645 HydrophobicContact CB-CD1 4.15Å; K642-I645 HydrophobicContact CG-CD1 4.04Å; K642-I645 WeakPolarHBondContact O-CB 3.37Å; K642-I645 PolarHBondContact O-N 3.1Å; K642-I645 VanDerWaalsContact O-N 3.11Å; Q643-I645 PolarHBondContact O-N 3.35Å; I645-K648 PolarHBondContact O-N 3.44Å; I645-K649 PolarHBondContact O-N 2.89Å
646	L	97.8	Very high	97.8	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-63.5	-45.4	178.7	-179.9	62.5	0	0	0	111.4	F535 Y612 A613 A616 L621 V636 K642 Q643 K648 K649 I650	F535-L646 HydrophobicContact CE1-CB 4.16Å; Y612-L646 HydrophobicContact CD1-CD1 4.45Å; Y612-L646 HydrophobicContact CE1-CD1 4.19Å; A613-L646 HydrophobicContact CB-CD1 4.49Å; A616-L646 HydrophobicContact CB-CD2 4.01Å; L621-L646 HydrophobicContact CD1-CD2 4.21Å; L621-L646 HydrophobicContact CD2-CB 4.16Å; L621-L646 HydrophobicContact CD2-CD2 4.31Å; L621-L646 HydrophobicContact CG-CD2 3.81Å; V636-L646 HydrophobicContact CG1-CD2 4.4Å; K642-L646 PolarHBondContact O-N 3.28Å; Q643-L646 PolarHBondContact O-N 2.91Å; L646-K648 PolarHBondContact O-N 2.95Å; L646-K649 PolarHBondContact O-N 3.09Å; L646-I650 HydrophobicContact CD1-CD1 4.09Å; L646-I650 HydrophobicContact CD1-CG1 4.28Å; L646-I650 HydrophobicContact CD2-CD1 4.48Å; L646-I650 HydrophobicContact CG-CD1 3.84Å; L646-I650 HydrophobicContact CG-CG1 4.47Å; L646-I650 VanDerWaalsContact O-CG1 3.31Å; L646-I650 WeakPolarHBondContact O-CG1 3.33Å; L646-I650 PolarHBondContact O-N 3.32Å
647	L	98.3	Very high	97.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.3	-49.6	176.9	177.1	62.4	0	0	0	111	L579 F581 L634 V636 Q643 K649 I650 I651 M746 M749 V750	L579-L647 HydrophobicContact CD1-CD2 4.02Å; F581-L647 HydrophobicContact CD2-CD1 4.44Å; F581-L647 HydrophobicContact CE2-CD1 3.71Å; F581-L647 HydrophobicContact CE2-CD2 4.1Å; F581-L647 HydrophobicContact CZ-CD1 4.11Å; F581-L647 HydrophobicContact CZ-CD2 3.78Å; L634-L647 HydrophobicContact CD2-CD1 3.79Å; V636-L647 HydrophobicContact CG2-CB 4.46Å; V636-L647 HydrophobicContact CG2-CD1 4.11Å; Q643-L647 VanDerWaalsContact O-CB 3.28Å; Q643-L647 WeakPolarHBondContact O-CB 3.49Å; Q643-L647 PolarHBondContact O-N 3.19Å; L647-K649 VanDerWaalsContact C-N 3.31Å; L647-K649 PolarHBondContact O-N 3.34Å; L647-I650 PolarHBondContact O-N 3.34Å; L647-I651 HydrophobicContact CD1-CG1 4.28Å; L647-I651 WeakPolarHBondContact O-CG1 3.31Å; L647-I651 PolarHBondContact O-N 3.09Å; L647-I651 VanDerWaalsContact O-N 3.1Å; L647-M746 HydrophobicContact CD2-CB 4.48Å; L647-M749 HydrophobicContact CB-CE 4.39Å; L647-M749 HydrophobicContact CD2-CE 3.95Å; L647-M749 HydrophobicContact CG-CE 3.96Å; L647-V750 HydrophobicContact CD1-CG2 4.33Å; L647-V750 HydrophobicContact CD2-CG2 4.04Å; L647-V750 HydrophobicContact CG-CG2 4.21Å
648	K	97.9	Very high	97.6	Very high	92 Å²	92	40.1 Å²	40.1	40%	0.4	20%	0.197	S	C	.	.	H	α-helix	trans	-56.9	-46.8	176.4	177.3	161.6	170.4	158.8	0	111.1	H644 I645 L646 I650 I651 E652 M749	H644-K648 VanDerWaalsContact O-CB 3.25Å; H644-K648 WeakPolarHBondContact O-CB 3.4Å; H644-K648 PolarHBondContact O-N 3.33Å; I645-K648 PolarHBondContact O-N 3.44Å; L646-K648 PolarHBondContact O-N 2.95Å; K648-I650 VanDerWaalsContact C-N 3.31Å; K648-I650 PolarHBondContact O-N 3.12Å; K648-I651 PolarHBondContact O-N 3.04Å; K648-E652 WeakPolarHBondContact CE-OE1 3.48Å; K648-E652 HydrophobicContact CG-CG 4.14Å; K648-E652 IonicContact NZ-OE1 3.87Å; K648-E652 WeakPolarHBondContact O-CB 3.4Å; K648-E652 WeakPolarHBondContact O-CG 3.4Å; K648-E652 PolarHBondContact O-N 2.84Å; K648-M749 HydrophobicContact CB-CE 3.86Å; K648-M749 HydrophobicContact CB-SD 3.58Å; K648-M749 VanDerWaalsContact CB-SD 3.58Å; K648-M749 HydrophobicContact CD-CG 4.23Å; K648-M749 HydrophobicContact CD-SD 4.25Å; K648-M749 HydrophobicContact CG-SD 3.87Å
649	K	97.8	Very high	97.5	Very high	78 Å²	78	39.9 Å²	39.9	34%	0.339	19%	0.192	S	C	.	.	H	α-helix	trans	-62.8	-36.5	-178.6	-170.6	54.1	170	179.8	0	113.4	Y612 I645 L646 L647 E652 K653	Y612-K649 HydrophobicContact CD1-CG 3.96Å; Y612-K649 HydrophobicContact CE1-CB 3.85Å; Y612-K649 HydrophobicContact CE1-CG 3.51Å; I645-K649 PolarHBondContact O-N 2.89Å; L646-K649 PolarHBondContact O-N 3.09Å; L647-K649 VanDerWaalsContact C-N 3.31Å; L647-K649 PolarHBondContact O-N 3.34Å; K649-E652 WeakPolarHBondContact CD-OE2 3.27Å; K649-E652 IonicContact NZ-OE2 2.64Å; K649-K653 VanDerWaalsContact O-CB 3.27Å; K649-K653 WeakPolarHBondContact O-CB 3.09Å; K649-K653 PolarHBondContact O-N 3.23Å
650	I	98.1	Very high	97.5	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-50	174.6	-67.4	163.2	0	0	0	110.1	L609 Y623 L625 L634 V636 L646 L647 K648 K653 M654	L609-I650 HydrophobicContact CD1-CG1 4.17Å; Y623-I650 HydrophobicContact CD1-CD1 4.39Å; Y623-I650 HydrophobicContact CD2-CD1 3.61Å; Y623-I650 HydrophobicContact CD2-CG1 4.36Å; Y623-I650 HydrophobicContact CE2-CD1 4.24Å; Y623-I650 HydrophobicContact CG-CD1 3.69Å; L625-I650 HydrophobicContact CD2-CG2 4.34Å; L634-I650 HydrophobicContact CD1-CD1 4.32Å; L634-I650 HydrophobicContact CD1-CG2 4.05Å; L634-I650 HydrophobicContact CD2-CG2 4.02Å; V636-I650 HydrophobicContact CG2-CD1 4.34Å; L646-I650 HydrophobicContact CD1-CD1 4.09Å; L646-I650 HydrophobicContact CD1-CG1 4.28Å; L646-I650 HydrophobicContact CD2-CD1 4.48Å; L646-I650 HydrophobicContact CG-CD1 3.84Å; L646-I650 HydrophobicContact CG-CG1 4.47Å; L646-I650 VanDerWaalsContact O-CG1 3.31Å; L646-I650 WeakPolarHBondContact O-CG1 3.33Å; L646-I650 PolarHBondContact O-N 3.32Å; L647-I650 PolarHBondContact O-N 3.34Å; K648-I650 VanDerWaalsContact C-N 3.31Å; K648-I650 PolarHBondContact O-N 3.12Å; I650-K653 PolarHBondContact O-N 3.15Å; I650-M654 HydrophobicContact CG2-CG 4.45Å; I650-M654 HydrophobicContact CG2-SD 4.03Å; I650-M654 VanDerWaalsContact O-CG 3.31Å; I650-M654 WeakPolarHBondContact O-CG 3.26Å; I650-M654 PolarHBondContact O-N 3.09Å
651	I	98.4	Very high	97.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.1	-38.5	-178.3	-55.1	-55.9	0	0	0	112.3	F583 L634 L647 K648 K653 M654 A655 V750 T753 L754	F583-I651 HydrophobicContact CZ-CD1 3.88Å; L634-I651 HydrophobicContact CD2-CD1 3.79Å; L647-I651 HydrophobicContact CD1-CG1 4.28Å; L647-I651 WeakPolarHBondContact O-CG1 3.31Å; L647-I651 PolarHBondContact O-N 3.09Å; L647-I651 VanDerWaalsContact O-N 3.1Å; K648-I651 PolarHBondContact O-N 3.04Å; I651-K653 PolarHBondContact O-N 2.84Å; I651-M654 HydrophobicContact CD1-SD 3.73Å; I651-M654 WeakPolarHBondContact O-CB 3.27Å; I651-M654 PolarHBondContact O-N 3.4Å; I651-A655 WeakPolarHBondContact O-CB 3.25Å; I651-A655 PolarHBondContact O-N 3.35Å; I651-V750 HydrophobicContact CD1-CG1 4.16Å; I651-V750 HydrophobicContact CG1-CG1 4.13Å; I651-V750 HydrophobicContact CG1-CG2 4.11Å; I651-V750 HydrophobicContact CG2-CG1 4.41Å; I651-T753 HydrophobicContact CB-CG2 4.41Å; I651-T753 HydrophobicContact CG2-CG2 3.88Å; I651-L754 HydrophobicContact CG2-CD1 4.43Å; I651-L754 HydrophobicContact CG2-CD2 4.14Å; I651-L754 HydrophobicContact CG2-CG 3.83Å
652	E	98.2	Very high	97.3	Very high	50 Å²	50	52 Å²	52	23%	0.234	25%	0.25	C	C	.	.	H	α-helix	trans	-55.2	-51.6	170.3	-76.9	178.6	168.7	0	0	110.8	K648 K649 M654 A655 T656 T753	K648-E652 WeakPolarHBondContact CE-OE1 3.48Å; K648-E652 HydrophobicContact CG-CG 4.14Å; K648-E652 IonicContact NZ-OE1 3.87Å; K648-E652 WeakPolarHBondContact O-CB 3.4Å; K648-E652 WeakPolarHBondContact O-CG 3.4Å; K648-E652 PolarHBondContact O-N 2.84Å; K649-E652 WeakPolarHBondContact CD-OE2 3.27Å; K649-E652 IonicContact NZ-OE2 2.64Å; E652-M654 VanDerWaalsContact C-N 3.34Å; E652-M654 PolarHBondContact O-N 2.79Å; E652-A655 PolarHBondContact O-N 3.1Å; E652-T656 PolarHBondContact O-N 3.32Å; E652-T656 PolarHBondContact O-OG1 2.9Å; E652-T753 HydrophobicContact CB-CG2 4.49Å; E652-T753 HydrophobicContact CG-CG2 3.99Å
653	K	97.9	Very high	97.3	Very high	53 Å²	53	51.5 Å²	51.5	23%	0.23	25%	0.247	C	C	.	.	H	α-helix	trans	-72.2	-26.5	-175.7	-173.6	59.6	176.8	165.5	0	112.5	L605 S608 L609 K649 I650 I651 F657	L605-K653 HydrophobicContact CD1-CB 4.11Å; L605-K653 HydrophobicContact CD1-CG 3.58Å; S608-K653 WeakPolarHBondContact OG-CE 3.49Å; L609-K653 HydrophobicContact CD2-CB 3.96Å; L609-K653 HydrophobicContact CD2-CG 3.85Å; L609-K653 HydrophobicContact CG-CB 4.48Å; L609-K653 HydrophobicContact CG-CG 4.03Å; K649-K653 VanDerWaalsContact O-CB 3.27Å; K649-K653 WeakPolarHBondContact O-CB 3.09Å; K649-K653 PolarHBondContact O-N 3.23Å; I650-K653 PolarHBondContact O-N 3.15Å; I651-K653 PolarHBondContact O-N 2.84Å; K653-F657 HydrophobicContact CD-CD2 4.16Å; K653-F657 HydrophobicContact CG-CD2 4.4Å; K653-F657 WeakPolarHBondContact O-CA 3.21Å; K653-F657 VanDerWaalsContact O-CB 3.24Å; K653-F657 WeakPolarHBondContact O-CB 3.39Å; K653-F657 PolarHBondContact O-N 2.95Å
654	M	97.6	Very high	97.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-54.2	165.9	-77.2	173.4	73.8	0	0	111.3	Y601 L605 M632 I650 I651 E652 T656	Y601-M654 VanDerWaalsContact OH-CA 3.3Å; Y601-M654 WeakPolarHBondContact OH-CA 3.45Å; Y601-M654 VanDerWaalsContact OH-CB 3.3Å; Y601-M654 WeakPolarHBondContact OH-CB 3.47Å; Y601-M654 PolarHBondContact OH-O 2.77Å; L605-M654 HydrophobicContact CD2-CB 4.35Å; L605-M654 HydrophobicContact CD2-CG 3.34Å; M632-M654 HydrophobicContact CE-CE 3.81Å; M632-M654 HydrophobicContact SD-CE 3.95Å; I650-M654 HydrophobicContact CG2-CG 4.45Å; I650-M654 HydrophobicContact CG2-SD 4.03Å; I650-M654 VanDerWaalsContact O-CG 3.31Å; I650-M654 WeakPolarHBondContact O-CG 3.26Å; I650-M654 PolarHBondContact O-N 3.09Å; I651-M654 HydrophobicContact CD1-SD 3.73Å; I651-M654 WeakPolarHBondContact O-CB 3.27Å; I651-M654 PolarHBondContact O-N 3.4Å; E652-M654 VanDerWaalsContact C-N 3.34Å; E652-M654 PolarHBondContact O-N 2.79Å; M654-T656 VanDerWaalsContact C-N 3.34Å; M654-T656 PolarHBondContact O-N 2.7Å
655	A	96.9	Very high	97.4	Very high	15 Å²	15	51.4 Å²	51.4	12%	0.124	25%	0.249	C	C	.	.	H	α-helix	trans	-74.4	-23.9	-171.5	0	0	0	0	0	113.6	I651 E652 L754 H757 A758	I651-A655 WeakPolarHBondContact O-CB 3.25Å; I651-A655 PolarHBondContact O-N 3.35Å; E652-A655 PolarHBondContact O-N 3.1Å; A655-L754 HydrophobicContact CB-CD2 4.31Å; A655-H757 HydrophobicContact CB-CB 3.64Å; A655-A758 HydrophobicContact CB-CB 4.17Å
656	T	97.5	Very high	97.4	Very high	76 Å²	76	49 Å²	49	47%	0.466	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	34.2	177.9	63	0	0	0	0	112.6	E652 M654 E658 H757	E652-T656 PolarHBondContact O-N 3.32Å; E652-T656 PolarHBondContact O-OG1 2.9Å; M654-T656 VanDerWaalsContact C-N 3.34Å; M654-T656 PolarHBondContact O-N 2.7Å; T656-E658 PolarHBondContact O-N 2.72Å; T656-E658 VanDerWaalsContact O-N 3.07Å; T656-H757 HydrophobicContact CG2-CB 3.8Å
657	F	97.6	Very high	97.4	Very high	26 Å²	26	49.8 Å²	49.8	11%	0.114	24%	0.241	C	C	.	.			trans	-74.2	103.5	-171.1	-165.7	-123.7	0	0	0	114.2	Y601 L604 L605 S608 K653 I659 I721	Y601-F657 AromaticContact CD2-CD1 3.72Å; Y601-F657 HydrophobicContact CD2-CD1 3.72Å; Y601-F657 HydrophobicContact CD2-CE1 4.25Å; Y601-F657 HydrophobicContact CD2-CG 4.45Å; Y601-F657 HydrophobicContact CE2-CB 4.03Å; Y601-F657 AromaticContact CE2-CD1 3.8Å; Y601-F657 HydrophobicContact CE2-CD1 3.8Å; Y601-F657 HydrophobicContact CE2-CG 4.08Å; L604-F657 VanDerWaalsContact C-CZ 3.5Å; L604-F657 HydrophobicContact CB-CE1 3.8Å; L604-F657 HydrophobicContact CB-CZ 3.81Å; L604-F657 WeakPolarHBondContact O-CZ 3.4Å; L605-F657 HydrophobicContact CB-CE2 4.41Å; L605-F657 HydrophobicContact CB-CZ 4.4Å; L605-F657 HydrophobicContact CD1-CD2 3.96Å; L605-F657 HydrophobicContact CD1-CE2 4.28Å; S608-F657 WeakPolarHBondContact OG-CE2 3.36Å; K653-F657 HydrophobicContact CD-CD2 4.16Å; K653-F657 HydrophobicContact CG-CD2 4.4Å; K653-F657 WeakPolarHBondContact O-CA 3.21Å; K653-F657 VanDerWaalsContact O-CB 3.24Å; K653-F657 WeakPolarHBondContact O-CB 3.39Å; K653-F657 PolarHBondContact O-N 2.95Å; F657-I659 HydrophobicContact CD1-CG1 3.78Å; F657-I659 HydrophobicContact CE1-CB 4.48Å; F657-I659 HydrophobicContact CE1-CG1 3.53Å; F657-I659 HydrophobicContact CZ-CG1 4.41Å; F657-I721 HydrophobicContact CD1-CD1 4.01Å
658	E	95.8	Very high	97.4	Very high	168 Å²	168	51.6 Å²	51.6	79%	0.785	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-86.3	127.7	164.4	-64.5	-172.2	165.6	0	0	111.5	T656	T656-E658 PolarHBondContact O-N 2.72Å; T656-E658 VanDerWaalsContact O-N 3.07Å
659	I	96.3	Very high	97.4	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.051	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-94.2	122.6	-178.9	-59.5	155.7	0	0	0	110.6	L604 F657 F664 L714 L717 R718 I721	L604-I659 HydrophobicContact CD1-CG2 4.08Å; F657-I659 HydrophobicContact CD1-CG1 3.78Å; F657-I659 HydrophobicContact CE1-CB 4.48Å; F657-I659 HydrophobicContact CE1-CG1 3.53Å; F657-I659 HydrophobicContact CZ-CG1 4.41Å; I659-F664 HydrophobicContact CG2-CB 3.88Å; I659-L714 HydrophobicContact CB-CD1 3.87Å; I659-L714 HydrophobicContact CD1-CD1 4.1Å; I659-L714 HydrophobicContact CG2-CD1 3.43Å; I659-L714 VanDerWaalsContact CG2-CD1 3.43Å; I659-L717 HydrophobicContact CD1-CB 4.35Å; I659-L717 HydrophobicContact CD1-CD2 3.78Å; I659-L717 HydrophobicContact CD1-CG 3.79Å; I659-R718 HydrophobicContact CD1-CG 3.84Å; I659-R718 PolarHBondContact O-NH2 2.81Å; I659-I721 HydrophobicContact CD1-CD1 3.71Å; I659-I721 HydrophobicContact CG1-CD1 4.3Å
660	D	96.8	Very high	97.4	Very high	95 Å²	95	46 Å²	46	51%	0.508	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-71.4	131	163.4	-180	-87.4	0	0	0	110.9	K662 R663 F664	D660-K662 WeakPolarHBondContact OD1-CA 3.45Å; D660-K662 WeakPolarHBondContact OD1-CB 3.24Å; D660-K662 PolarHBondContact OD1-N 2.62Å; D660-R663 HydrophobicContact CB-CB 4.24Å; D660-R663 HydrophobicContact CB-CG 4.15Å; D660-R663 PolarHBondContact OD1-N 2.91Å; D660-F664 WeakPolarHBondContact O-CB 3.29Å; D660-F664 PolarHBondContact O-N 3.31Å
661	E	96.6	Very high	97.4	Very high	120 Å²	120	46.7 Å²	46.7	56%	0.561	23%	0.233	S	C	*	.	H	α-helix	trans	-68.9	-38.9	-173.7	-176.9	154.1	-153.4	0	0	112.4	F664 D665 L714	E661-F664 WeakPolarHBondContact O-CB 3.41Å; E661-F664 PolarHBondContact O-N 2.96Å; E661-D665 PolarHBondContact O-N 2.96Å; E661-D665 VanDerWaalsContact O-N 3.12Å; E661-L714 HydrophobicContact CB-CD2 3.64Å; E661-L714 HydrophobicContact CG-CD2 3.57Å
662	K	95.8	Very high	97.4	Very high	100 Å²	100	49.7 Å²	49.7	44%	0.435	25%	0.248	S	C	.	.	H	α-helix	trans	-70.9	-38.4	179.5	-173.4	-177.7	-179.9	-173.1	0	111.7	S357 K358 D660 I666	S357-K662 PolarHBondContact O-NZ 3.43Å; K358-K662 PolarHBondContact O-NZ 3.24Å; D660-K662 WeakPolarHBondContact OD1-CA 3.45Å; D660-K662 WeakPolarHBondContact OD1-CB 3.24Å; D660-K662 PolarHBondContact OD1-N 2.62Å; K662-I666 HydrophobicContact CG-CD1 4.1Å; K662-I666 WeakPolarHBondContact O-CD1 3.46Å; K662-I666 VanDerWaalsContact O-CG1 3.24Å; K662-I666 WeakPolarHBondContact O-CG1 3.28Å; K662-I666 PolarHBondContact O-N 3.21Å
663	R	97.1	Very high	97.3	Very high	27 Å²	27	48.3 Å²	48.3	10%	0.102	24%	0.24	C	C	.	.	H	α-helix	trans	-68.3	-36.9	172.5	-60.8	-53.5	-63.6	148.5	3.6	111.7	N362 L604 D607 D660 I666 I667	N362-R663 PolarHBondContact OD1-NH1 3.44Å; N362-R663 PolarHBondContact OD1-NH2 3.21Å; L604-R663 VanDerWaalsContact CD2-C 3.49Å; L604-R663 HydrophobicContact CD2-CB 3.89Å; D607-R663 VanDerWaalsContact CG-NH2 3.25Å; D607-R663 IonicContact OD1-CZ 3.62Å; D607-R663 IonicContact OD1-NE 2.63Å; D607-R663 IonicContact OD1-NH2 3.47Å; D607-R663 PolarHBondContact OD1-NH2 2.75Å; D607-R663 IonicContact OD2-CZ 2.7Å; D607-R663 IonicContact OD2-NE 2.82Å; D607-R663 PolarHBondContact OD2-NE 3.08Å; D607-R663 IonicContact OD2-NH2 3.57Å; D607-R663 PolarHBondContact OD2-NH2 3.31Å; D607-R663 VanDerWaalsContact OD2-NH2 3.11Å; D660-R663 HydrophobicContact CB-CB 4.24Å; D660-R663 HydrophobicContact CB-CG 4.15Å; D660-R663 PolarHBondContact OD1-N 2.91Å; R663-I666 PolarHBondContact O-N 2.69Å; R663-I667 WeakPolarHBondContact O-CB 3.41Å; R663-I667 PolarHBondContact O-N 2.96Å
664	F	98.3	Very high	97.3	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.026	25%	0.251	C	S	.	.	H	α-helix	trans	-56.8	-51.4	174	165.9	-94.3	0	0	0	111.9	L604 I659 D660 E661 I667 K668 V712 L714 L717	L604-F664 HydrophobicContact CD1-CB 4.24Å; L604-F664 HydrophobicContact CD1-CD2 4.03Å; L604-F664 HydrophobicContact CD2-CB 4.43Å; I659-F664 HydrophobicContact CG2-CB 3.88Å; D660-F664 WeakPolarHBondContact O-CB 3.29Å; D660-F664 PolarHBondContact O-N 3.31Å; E661-F664 WeakPolarHBondContact O-CB 3.41Å; E661-F664 PolarHBondContact O-N 2.96Å; F664-I667 PolarHBondContact O-N 2.79Å; F664-K668 HydrophobicContact CE1-CD 4.31Å; F664-K668 HydrophobicContact CZ-CD 4.07Å; F664-K668 VanDerWaalsContact O-CB 3.26Å; F664-K668 WeakPolarHBondContact O-CB 3.43Å; F664-K668 PolarHBondContact O-N 2.67Å; F664-V712 HydrophobicContact CE2-CG1 4.01Å; F664-V712 HydrophobicContact CZ-CG1 4.16Å; F664-L714 HydrophobicContact CB-CD1 4.25Å; F664-L714 HydrophobicContact CD1-CB 4.03Å; F664-L714 HydrophobicContact CD2-CD1 4.3Å; F664-L714 HydrophobicContact CE1-CB 4.05Å; F664-L714 HydrophobicContact CG-CB 4.4Å; F664-L714 HydrophobicContact CG-CD1 4.09Å; F664-L714 HydrophobicContact CZ-CB 4.4Å; F664-L717 HydrophobicContact CD2-CD2 3.64Å; F664-L717 HydrophobicContact CE2-CB 4.42Å; F664-L717 HydrophobicContact CE2-CD2 3.76Å
665	D	97.8	Very high	97.2	Very high	90 Å²	90	49.1 Å²	49.1	48%	0.481	25%	0.252	S	S	.	.	H	α-helix	trans	-64.3	-44.5	-179.5	-70.7	-32.4	0	0	0	111.8	E661 I667 K668 E669	E661-D665 PolarHBondContact O-N 2.96Å; E661-D665 VanDerWaalsContact O-N 3.12Å; D665-I667 PolarHBondContact O-N 3.49Å; D665-K668 PolarHBondContact O-N 2.59Å; D665-E669 WeakPolarHBondContact O-CB 3.16Å; D665-E669 PolarHBondContact O-N 2.89Å
666	I	97.5	Very high	97.2	Very high	20 Å²	20	51.6 Å²	51.6	10%	0.103	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-43.5	178.6	-68.7	165.9	0	0	0	112.1	N362 T385 K662 R663 A670	N362-I666 WeakPolarHBondContact OD1-CG2 3.34Å; T385-I666 HydrophobicContact CG2-CD1 4.25Å; T385-I666 HydrophobicContact CG2-CG1 4.22Å; T385-I666 HydrophobicContact CG2-CG2 3.59Å; K662-I666 HydrophobicContact CG-CD1 4.1Å; K662-I666 WeakPolarHBondContact O-CD1 3.46Å; K662-I666 VanDerWaalsContact O-CG1 3.24Å; K662-I666 WeakPolarHBondContact O-CG1 3.28Å; K662-I666 PolarHBondContact O-N 3.21Å; R663-I666 PolarHBondContact O-N 2.69Å; I666-A670 WeakPolarHBondContact O-CB 3.4Å; I666-A670 PolarHBondContact O-N 3.09Å
667	I	98.1	Very high	97.2	Very high	18 Å²	18	48.9 Å²	48.9	9%	0.092	25%	0.246	C	C	.	.	H	α-helix	trans	-76	-32.9	-179.4	-70.9	170.3	0	0	0	111.2	L600 E603 L604 D607 R663 F664 D665 Y671	L600-I667 HydrophobicContact CD2-CG2 3.95Å; E603-I667 HydrophobicContact CB-CG2 3.86Å; L604-I667 HydrophobicContact CD2-CB 4.35Å; L604-I667 HydrophobicContact CD2-CD1 3.7Å; L604-I667 HydrophobicContact CD2-CG1 4.49Å; L604-I667 HydrophobicContact CG-CD1 4.16Å; D607-I667 HydrophobicContact CB-CD1 3.73Å; R663-I667 WeakPolarHBondContact O-CB 3.41Å; R663-I667 PolarHBondContact O-N 2.96Å; F664-I667 PolarHBondContact O-N 2.79Å; D665-I667 PolarHBondContact O-N 3.49Å; I667-Y671 VanDerWaalsContact O-CB 3.3Å; I667-Y671 WeakPolarHBondContact O-CB 3.35Å; I667-Y671 PolarHBondContact O-N 3.17Å
668	K	98.4	Very high	97.1	Very high	39 Å²	39	49.4 Å²	49.4	17%	0.17	25%	0.249	C	C	.	.	H	α-helix	trans	-60.7	-45.4	170.5	-179.6	179.1	176.1	175.1	0	111.5	L600 F664 D665 Y671 M672 L709 D710 V712	L600-K668 HydrophobicContact CD2-CB 4.45Å; F664-K668 HydrophobicContact CE1-CD 4.31Å; F664-K668 HydrophobicContact CZ-CD 4.07Å; F664-K668 VanDerWaalsContact O-CB 3.26Å; F664-K668 WeakPolarHBondContact O-CB 3.43Å; F664-K668 PolarHBondContact O-N 2.67Å; D665-K668 PolarHBondContact O-N 2.59Å; K668-Y671 PolarHBondContact O-N 2.8Å; K668-M672 PolarHBondContact O-N 3.01Å; K668-L709 WeakPolarHBondContact CE-O 3.45Å; K668-L709 HydrophobicContact CG-CD1 4.09Å; K668-L709 HydrophobicContact CG-CG 4.32Å; K668-L709 PolarHBondContact NZ-O 2.82Å; K668-D710 PolarHBondContact NZ-O 3.08Å; K668-V712 PolarHBondContact NZ-O 3.2Å
669	E	97.9	Very high	97	Very high	23 Å²	23	48.3 Å²	48.3	11%	0.107	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-52.9	176.1	-168.5	-67.7	114.7	0	0	111.1	R316 E386 D665 Y671 M672 R673	R316-E669 IonicContact CZ-OE1 2.71Å; R316-E669 IonicContact CZ-OE2 2.99Å; R316-E669 IonicContact NH1-OE2 3.71Å; R316-E669 PolarHBondContact NH1-OE2 3.39Å; R316-E669 IonicContact NH2-OE1 3.82Å; R316-E669 PolarHBondContact NH2-OE1 2.36Å; R316-E669 IonicContact NH2-OE2 2.71Å; R316-E669 PolarHBondContact NH2-OE2 3.36Å; E386-E669 HydrophobicContact CG-CG 4.48Å; D665-E669 WeakPolarHBondContact O-CB 3.16Å; D665-E669 PolarHBondContact O-N 2.89Å; E669-Y671 VanDerWaalsContact C-N 3.27Å; E669-Y671 PolarHBondContact O-N 3.36Å; E669-M672 WeakPolarHBondContact O-CB 3.32Å; E669-M672 PolarHBondContact O-N 2.88Å; E669-M672 VanDerWaalsContact O-N 3.12Å; E669-R673 PolarHBondContact O-N 2.89Å; E669-R673 VanDerWaalsContact O-N 3.08Å; E669-R673 VanDerWaalsContact OE1-CD 3.31Å; E669-R673 WeakPolarHBondContact OE1-CD 3.48Å; E669-R673 WeakPolarHBondContact OE1-CG 3Å; E669-R673 IonicContact OE1-CZ 2.71Å; E669-R673 IonicContact OE1-NE 3.84Å; E669-R673 PolarHBondContact OE1-NE 2.82Å; E669-R673 IonicContact OE1-NH2 2.77Å; E669-R673 IonicContact OE2-CZ 2.9Å; E669-R673 IonicContact OE2-NE 2.74Å; E669-R673 PolarHBondContact OE2-NE 2.89Å; E669-R673 VanDerWaalsContact OE2-NE 3.17Å; E669-R673 IonicContact OE2-NH2 3.11Å; E669-R673 PolarHBondContact OE2-NH2 3.24Å
670	A	96.9	Very high	97	Very high	30 Å²	30	48.1 Å²	48.1	25%	0.248	24%	0.237	C	C	.	.	H	α-helix	trans	-59.4	-36.9	177.6	0	0	0	0	0	112.8	I666 S674	I666-A670 WeakPolarHBondContact O-CB 3.4Å; I666-A670 PolarHBondContact O-N 3.09Å; A670-S674 WeakPolarHBondContact O-CB 3.49Å; A670-S674 PolarHBondContact O-N 3.45Å
671	Y	98.3	Very high	97	Very high	15 Å²	15	46.1 Å²	46.1	6%	0.059	23%	0.225	C	C	.	.	H	α-helix	trans	-68.4	-41	174.8	-177.8	-134.7	0	0	0	112.7	N596 Y599 L600 I667 K668 E669 R673 S674 L675 L709	N596-Y671 HydrophobicContact CB-CE1 4.25Å; N596-Y671 WeakPolarHBondContact OD1-CE1 3.22Å; N596-Y671 PolarHBondContact OD1-OH 2.88Å; Y599-Y671 AromaticContact CD1-CD1 3.79Å; Y599-Y671 HydrophobicContact CD1-CD1 3.79Å; Y599-Y671 AromaticContact CD1-CD2 3.45Å; Y599-Y671 HydrophobicContact CD1-CD2 3.45Å; Y599-Y671 VanDerWaalsContact CD1-CD2 3.45Å; Y599-Y671 AromaticContact CD1-CE1 3.76Å; Y599-Y671 HydrophobicContact CD1-CE1 3.76Å; Y599-Y671 AromaticContact CD1-CE2 3.4Å; Y599-Y671 HydrophobicContact CD1-CE2 3.4Å; Y599-Y671 AromaticContact CD1-CG 3.63Å; Y599-Y671 HydrophobicContact CD1-CG 3.63Å; Y599-Y671 AromaticContact CD1-CZ 3.55Å; Y599-Y671 HydrophobicContact CD2-CE2 4.46Å; Y599-Y671 HydrophobicContact CE1-CD1 4.1Å; Y599-Y671 AromaticContact CE1-CD2 3.06Å; Y599-Y671 HydrophobicContact CE1-CD2 3.06Å; Y599-Y671 HydrophobicContact CE1-CE1 4.39Å; Y599-Y671 AromaticContact CE1-CE2 3.41Å; Y599-Y671 HydrophobicContact CE1-CE2 3.41Å; Y599-Y671 VanDerWaalsContact CE1-CE2 3.41Å; Y599-Y671 AromaticContact CE1-CG 3.44Å; Y599-Y671 HydrophobicContact CE1-CG 3.44Å; Y599-Y671 VanDerWaalsContact CE1-CG 3.44Å; Y599-Y671 HydrophobicContact CE2-CE2 4.48Å; Y599-Y671 HydrophobicContact CG-CD2 4.41Å; Y599-Y671 HydrophobicContact CG-CE1 4.45Å; Y599-Y671 AromaticContact CG-CE2 3.96Å; Y599-Y671 HydrophobicContact CG-CE2 3.96Å; Y599-Y671 AromaticContact CG-CZ 3.97Å; Y599-Y671 AromaticContact CZ-CD2 3.79Å; Y599-Y671 AromaticContact CZ-CE2 3.98Å; L600-Y671 HydrophobicContact CD2-CD1 4.05Å; L600-Y671 HydrophobicContact CD2-CG 4.38Å; L600-Y671 HydrophobicContact CG-CD1 4.28Å; I667-Y671 VanDerWaalsContact O-CB 3.3Å; I667-Y671 WeakPolarHBondContact O-CB 3.35Å; I667-Y671 PolarHBondContact O-N 3.17Å; K668-Y671 PolarHBondContact O-N 2.8Å; E669-Y671 VanDerWaalsContact C-N 3.27Å; E669-Y671 PolarHBondContact O-N 3.36Å; Y671-R673 VanDerWaalsContact C-N 3.33Å; Y671-R673 PolarHBondContact O-N 2.88Å; Y671-S674 CarbonylContact O-C 3.56Å; Y671-S674 WeakPolarHBondContact O-CA 3.48Å; Y671-S674 WeakPolarHBondContact O-CB 3.38Å; Y671-S674 PolarHBondContact O-N 3.14Å; Y671-L675 HydrophobicContact CD1-CD1 4.34Å; Y671-L675 HydrophobicContact CD2-CG 4.21Å; Y671-L675 HydrophobicContact CE1-CD1 3.96Å; Y671-L675 HydrophobicContact CE1-CG 4.42Å; Y671-L675 HydrophobicContact CE2-CD1 4.33Å; Y671-L675 HydrophobicContact CE2-CD2 3.81Å; Y671-L675 HydrophobicContact CE2-CG 3.9Å; Y671-L675 WeakPolarHBondContact O-CG 3.26Å; Y671-L675 PolarHBondContact O-N 3.12Å; Y671-L709 HydrophobicContact CD1-CD1 3.72Å; Y671-L709 HydrophobicContact CD1-CD2 3.73Å; Y671-L709 HydrophobicContact CD1-CG 4.4Å; Y671-L709 HydrophobicContact CE1-CD1 4.07Å; Y671-L709 HydrophobicContact CE1-CD2 4.31Å; Y671-L709 HydrophobicContact CG-CD2 4.42Å
672	M	97.9	Very high	97	Very high	63 Å²	63	41.2 Å²	41.2	31%	0.31	20%	0.202	S	C	.	.	H	α-helix	trans	-56.8	-47.2	174.5	-177.7	177.3	61.6	0	0	111.2	K668 E669 L675 N676 L709	K668-M672 PolarHBondContact O-N 3.01Å; E669-M672 WeakPolarHBondContact O-CB 3.32Å; E669-M672 PolarHBondContact O-N 2.88Å; E669-M672 VanDerWaalsContact O-N 3.12Å; M672-L675 PolarHBondContact O-N 3.38Å; M672-N676 VanDerWaalsContact O-CG 3.26Å; M672-N676 PolarHBondContact O-N 2.79Å; M672-N676 PolarHBondContact O-ND2 3.02Å; M672-L709 HydrophobicContact CB-CD2 3.67Å; M672-L709 HydrophobicContact CG-CD2 4.34Å
673	R	96.5	Very high	97.1	Very high	20 Å²	20	36.4 Å²	36.4	8%	0.075	18%	0.181	C	C	.	.	H	α-helix	trans	-62.7	-40.2	172.2	-76.3	-174.2	-66.7	113.5	-1.1	112.5	D314 R316 E669 Y671 L675 N676 N677	D314-R673 HydrophobicContact CB-CG 4.24Å; D314-R673 PolarHBondContact O-NH1 2.82Å; D314-R673 WeakPolarHBondContact OD1-CD 3.44Å; D314-R673 WeakPolarHBondContact OD2-CD 3.38Å; D314-R673 WeakPolarHBondContact OD2-CG 3.4Å; R316-R673 VanDerWaalsContact NH1-NH2 3.2Å; R316-R673 VanDerWaalsContact NH2-NE 3.13Å; E669-R673 PolarHBondContact O-N 2.89Å; E669-R673 VanDerWaalsContact O-N 3.08Å; E669-R673 VanDerWaalsContact OE1-CD 3.31Å; E669-R673 WeakPolarHBondContact OE1-CD 3.48Å; E669-R673 WeakPolarHBondContact OE1-CG 3Å; E669-R673 IonicContact OE1-CZ 2.71Å; E669-R673 IonicContact OE1-NE 3.84Å; E669-R673 PolarHBondContact OE1-NE 2.82Å; E669-R673 IonicContact OE1-NH2 2.77Å; E669-R673 IonicContact OE2-CZ 2.9Å; E669-R673 IonicContact OE2-NE 2.74Å; E669-R673 PolarHBondContact OE2-NE 2.89Å; E669-R673 VanDerWaalsContact OE2-NE 3.17Å; E669-R673 IonicContact OE2-NH2 3.11Å; E669-R673 PolarHBondContact OE2-NH2 3.24Å; Y671-R673 VanDerWaalsContact C-N 3.33Å; Y671-R673 PolarHBondContact O-N 2.88Å; R673-L675 VanDerWaalsContact C-N 3.33Å; R673-L675 PolarHBondContact O-N 2.86Å; R673-N676 PolarHBondContact O-N 3.04Å; R673-N677 WeakPolarHBondContact O-CB 3.48Å; R673-N677 PolarHBondContact O-N 3.37Å; R673-N677 PolarHBondContact O-ND2 3.37Å; R673-N677 VanDerWaalsContact O-ND2 3.13Å
674	S	97.1	Very high	97.1	Very high	64 Å²	64	36.8 Å²	36.8	45%	0.448	18%	0.184	S	C	.	.	H	α-helix	trans	-61.3	-37.5	177	-167	0	0	0	0	113	A670 Y671	A670-S674 WeakPolarHBondContact O-CB 3.49Å; A670-S674 PolarHBondContact O-N 3.45Å; Y671-S674 CarbonylContact O-C 3.56Å; Y671-S674 WeakPolarHBondContact O-CA 3.48Å; Y671-S674 WeakPolarHBondContact O-CB 3.38Å; Y671-S674 PolarHBondContact O-N 3.14Å
675	L	96.9	Very high	97.1	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-65.9	-51.7	171.4	-66.3	176.3	0	0	0	111.3	Y671 M672 R673 N677 F678 K702 L705 R706 L709	Y671-L675 HydrophobicContact CD1-CD1 4.34Å; Y671-L675 HydrophobicContact CD2-CG 4.21Å; Y671-L675 HydrophobicContact CE1-CD1 3.96Å; Y671-L675 HydrophobicContact CE1-CG 4.42Å; Y671-L675 HydrophobicContact CE2-CD1 4.33Å; Y671-L675 HydrophobicContact CE2-CD2 3.81Å; Y671-L675 HydrophobicContact CE2-CG 3.9Å; Y671-L675 WeakPolarHBondContact O-CG 3.26Å; Y671-L675 PolarHBondContact O-N 3.12Å; M672-L675 PolarHBondContact O-N 3.38Å; R673-L675 VanDerWaalsContact C-N 3.33Å; R673-L675 PolarHBondContact O-N 2.86Å; L675-N677 VanDerWaalsContact C-N 3.32Å; L675-N677 PolarHBondContact O-N 3.14Å; L675-F678 VanDerWaalsContact O-CB 3.24Å; L675-F678 WeakPolarHBondContact O-CB 2.91Å; L675-F678 PolarHBondContact O-N 2.61Å; L675-K702 HydrophobicContact CD2-CD 3.5Å; L675-L705 HydrophobicContact CD1-CB 4.15Å; L675-L705 HydrophobicContact CD2-CB 4.21Å; L675-R706 HydrophobicContact CD1-CB 4.24Å; L675-L709 HydrophobicContact CD1-CD2 3.98Å
676	N	96.1	Very high	97	Very high	68 Å²	68	35.9 Å²	35.9	36%	0.364	18%	0.176	S	C	.	.	H	α-helix	trans	-60.5	-39.3	-179.9	-67.9	-16.7	0	0	0	112.5	M672 R673 F678 R679	M672-N676 VanDerWaalsContact O-CG 3.26Å; M672-N676 PolarHBondContact O-N 2.79Å; M672-N676 PolarHBondContact O-ND2 3.02Å; R673-N676 PolarHBondContact O-N 3.04Å; N676-F678 PolarHBondContact O-N 3.25Å; N676-F678 VanDerWaalsContact O-N 3.13Å; N676-R679 WeakPolarHBondContact O-CD 2.98Å; N676-R679 VanDerWaalsContact O-CG 3.26Å; N676-R679 WeakPolarHBondContact O-CG 3.38Å; N676-R679 PolarHBondContact O-N 3.48Å
677	N	97.3	Very high	97	Very high	18 Å²	18	34.9 Å²	34.9	10%	0.096	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-64.8	-14.3	-179.6	-77.3	-24.8	0	0	0	113.8	K313 D314 R673 L675 R679 A680	K313-N677 HydrophobicContact CB-CB 4.46Å; K313-N677 WeakPolarHBondContact CB-OD1 3.35Å; K313-N677 HydrophobicContact CD-CB 4.27Å; K313-N677 HydrophobicContact CG-CB 4.23Å; D314-N677 PolarHBondContact N-OD1 2.81Å; D314-N677 PolarHBondContact O-ND2 3.08Å; R673-N677 WeakPolarHBondContact O-CB 3.48Å; R673-N677 PolarHBondContact O-N 3.37Å; R673-N677 PolarHBondContact O-ND2 3.37Å; R673-N677 VanDerWaalsContact O-ND2 3.13Å; L675-N677 VanDerWaalsContact C-N 3.32Å; L675-N677 PolarHBondContact O-N 3.14Å; N677-R679 PolarHBondContact O-N 3.43Å; N677-A680 PolarHBondContact O-N 3.26Å
678	F	95.7	Very high	97	Very high	38 Å²	38	37.6 Å²	37.6	17%	0.167	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-56.8	-29.9	172.3	-171.5	-104.5	0	0	0	112.2	L675 N676 A680 E681 H686 Y689 K702	L675-F678 VanDerWaalsContact O-CB 3.24Å; L675-F678 WeakPolarHBondContact O-CB 2.91Å; L675-F678 PolarHBondContact O-N 2.61Å; N676-F678 PolarHBondContact O-N 3.25Å; N676-F678 VanDerWaalsContact O-N 3.13Å; F678-A680 PolarHBondContact O-N 3.27Å; F678-A680 VanDerWaalsContact O-N 3.09Å; F678-E681 HydrophobicContact CD2-CB 4.45Å; F678-E681 HydrophobicContact CD2-CG 3.79Å; F678-E681 HydrophobicContact CE2-CB 4.37Å; F678-E681 HydrophobicContact CE2-CG 4.07Å; F678-E681 PolarHBondContact O-N 3.07Å; F678-E681 VanDerWaalsContact O-N 3.08Å; F678-H686 AromaticContact CE1-CD2 3.65Å; F678-H686 AromaticContact CE1-NE2 3.96Å; F678-H686 AromaticContact CZ-CD2 3.69Å; F678-H686 PolarHBondContact O-NE2 3.38Å; F678-Y689 HydrophobicContact CD1-CE1 4.39Å; F678-Y689 AromaticContact CE1-CD1 3.41Å; F678-Y689 HydrophobicContact CE1-CD1 3.41Å; F678-Y689 VanDerWaalsContact CE1-CD1 3.41Å; F678-Y689 HydrophobicContact CE1-CD2 4.14Å; F678-Y689 AromaticContact CE1-CE1 3.64Å; F678-Y689 HydrophobicContact CE1-CE1 3.64Å; F678-Y689 HydrophobicContact CE1-CE2 4.36Å; F678-Y689 AromaticContact CE1-CG 3.67Å; F678-Y689 HydrophobicContact CE1-CG 3.67Å; F678-Y689 HydrophobicContact CE2-CG 4.47Å; F678-Y689 AromaticContact CZ-CD1 3.69Å; F678-Y689 HydrophobicContact CZ-CD1 3.69Å; F678-Y689 AromaticContact CZ-CD2 3.94Å; F678-Y689 HydrophobicContact CZ-CD2 3.94Å; F678-Y689 HydrophobicContact CZ-CE1 4.31Å; F678-Y689 AromaticContact CZ-CG 3.46Å; F678-Y689 HydrophobicContact CZ-CG 3.46Å; F678-Y689 VanDerWaalsContact CZ-CG 3.46Å; F678-K702 HydrophobicContact CB-CG 4.21Å; F678-K702 HydrophobicContact CD1-CG 3.97Å; F678-K702 HydrophobicContact CG-CG 4.02Å
679	R	93.8	Very high	96.9	Very high	145 Å²	145	36.3 Å²	36.3	55%	0.547	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-57	-24.8	175.7	77.8	-167.7	-76.1	-144.8	-2.5	114.3	N676 N677 H686 E789 V790	N676-R679 WeakPolarHBondContact O-CD 2.98Å; N676-R679 VanDerWaalsContact O-CG 3.26Å; N676-R679 WeakPolarHBondContact O-CG 3.38Å; N676-R679 PolarHBondContact O-N 3.48Å; N677-R679 PolarHBondContact O-N 3.43Å; R679-H686 PolarHBondContact O-CE1 2.86Å; R679-E789 IonicContact CZ-OE2 2.65Å; R679-E789 IonicContact NE-OE2 3.62Å; R679-E789 PolarHBondContact NE-OE2 2.92Å; R679-E789 IonicContact NH2-OE2 3.61Å; R679-E789 PolarHBondContact NH2-OE2 3.37Å; R679-V790 HydrophobicContact CG-CG2 4.5Å
680	A	95.4	Very high	96.8	Very high	6 Å²	6	36.5 Å²	36.5	5%	0.05	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-99.7	2.6	-178.1	0	0	0	0	0	113.7	I312 K313 N677 F678 V790 H791	I312-A680 HydrophobicContact CG2-CB 4.19Å; K313-A680 HydrophobicContact CD-CB 4.46Å; K313-A680 HydrophobicContact CG-CB 3.66Å; N677-A680 PolarHBondContact O-N 3.26Å; F678-A680 PolarHBondContact O-N 3.27Å; F678-A680 VanDerWaalsContact O-N 3.09Å; A680-V790 HydrophobicContact CB-CG1 4.29Å; A680-V790 HydrophobicContact CB-CG2 4.03Å; A680-H791 PolarHBondContact O-NE2 3.09Å
681	E	97	Very high	96.7	Very high	52 Å²	52	35.1 Å²	35.1	24%	0.243	17%	0.167	C	C	.	.	S	Bend	trans	-67.5	163.3	166.2	-57.7	-52.9	156.4	0	0	111.3	K313 F678 Q685 N788 H791	K313-E681 IonicContact NZ-OE1 3.71Å; K313-E681 PolarHBondContact NZ-OE1 3.28Å; K313-E681 IonicContact NZ-OE2 3.96Å; K313-E681 PolarHBondContact NZ-OE2 3.43Å; F678-E681 HydrophobicContact CD2-CB 4.45Å; F678-E681 HydrophobicContact CD2-CG 3.79Å; F678-E681 HydrophobicContact CE2-CB 4.37Å; F678-E681 HydrophobicContact CE2-CG 4.07Å; F678-E681 PolarHBondContact O-N 3.07Å; F678-E681 VanDerWaalsContact O-N 3.08Å; E681-Q685 HydrophobicContact CB-CB 4.33Å; E681-N788 PolarHBondContact O-ND2 2.67Å; E681-H791 PolarHBondContact O-CD2 3.31Å; E681-H791 PolarHBondContact O-NE2 3.16Å
682	Q	96.7	Very high	96.5	Very high	17 Å²	17	41.7 Å²	41.7	8%	0.079	19%	0.192	C	C	.	.			trans	-67.1	147.7	-173.2	-60.8	-78.7	-31.2	0	0	111.9	K197 H684 Q685 H686 H791	K197-Q682 PolarHBondContact O-NE2 2.87Å; Q682-H684 WeakPolarHBondContact CB-ND1 3.49Å; Q682-H684 PolarHBondContact O-N 3.33Å; Q682-H684 VanDerWaalsContact O-N 3.12Å; Q682-Q685 HydrophobicContact CB-CG 4.12Å; Q682-Q685 WeakPolarHBondContact O-CA 3.5Å; Q682-Q685 WeakPolarHBondContact O-CB 3.18Å; Q682-Q685 PolarHBondContact O-N 3.13Å; Q682-H686 PolarHBondContact O-N 3.02Å; Q682-H791 PolarHBondContact NE2-CE1 2.9Å
683	P	97.5	Very high	96.2	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-50	-37.2	176.7	-29.2	32.7	0	0	0	115.1	H686 A687 N788 H791 H793 Q856 V963	P683-H686 WeakPolarHBondContact O-CB 3.46Å; P683-H686 PolarHBondContact O-N 2.99Å; P683-A687 PolarHBondContact O-N 2.86Å; P683-N788 HydrophobicContact CG-CB 4.28Å; P683-H791 HydrophobicContact CG-CB 3.84Å; P683-H793 HydrophobicContact CG-CB 4.34Å; P683-H793 WeakPolarHBondContact CG-O 3.46Å; P683-Q856 HydrophobicContact CB-CG 4.37Å; P683-Q856 HydrophobicContact CG-CG 4.49Å; P683-V963 HydrophobicContact CB-CB 4.47Å; P683-V963 HydrophobicContact CB-CG1 4.09Å
684	H	97.4	Very high	95.8	Very high	35 Å²	35	40 Å²	40	16%	0.162	19%	0.185	C	C	.	.	H	α-helix	trans	-71.3	-32.7	175.9	76.2	-83.7	0	0	0	113.5	Q682 A687 M688 I837 I854 Q856	Q682-H684 WeakPolarHBondContact CB-ND1 3.49Å; Q682-H684 PolarHBondContact O-N 3.33Å; Q682-H684 VanDerWaalsContact O-N 3.12Å; H684-A687 PolarHBondContact O-N 3.06Å; H684-M688 WeakPolarHBondContact O-CG 3.43Å; H684-M688 PolarHBondContact O-N 3.07Å; H684-M688 VanDerWaalsContact O-N 3.08Å; H684-I837 VanDerWaalsContact CE1-CD1 3.43Å; H684-I837 WeakPolarHBondContact CE1-CD1 3.34Å; H684-I837 WeakPolarHBondContact ND1-CD1 3.29Å; H684-I854 HydrophobicContact CB-CG2 3.75Å; H684-Q856 HydrophobicContact CB-CB 4.38Å; H684-Q856 PolarHBondContact ND1-OE1 3.42Å
685	Q	98	Very high	95.6	Very high	71 Å²	71	36.9 Å²	36.9	33%	0.332	16%	0.164	S	C	.	.	H	α-helix	trans	-69.6	-37	175.4	-63.2	171.2	-71	0	0	110.8	E681 Q682 Y689	E681-Q685 HydrophobicContact CB-CB 4.33Å; Q682-Q685 HydrophobicContact CB-CG 4.12Å; Q682-Q685 WeakPolarHBondContact O-CA 3.5Å; Q682-Q685 WeakPolarHBondContact O-CB 3.18Å; Q682-Q685 PolarHBondContact O-N 3.13Å; Q685-Y689 WeakPolarHBondContact O-CB 3.39Å; Q685-Y689 PolarHBondContact O-N 2.89Å
686	H	97.6	Very high	95.3	Very high	5 Å²	5	37.7 Å²	37.7	2%	0.023	17%	0.169	C	C	.	.	H	α-helix	trans	-59.6	-47.3	169.3	-75.2	-168.7	0	0	0	111.2	F678 R679 Q682 P683 M688 Y689 Y690 N788 V963	F678-H686 AromaticContact CE1-CD2 3.65Å; F678-H686 AromaticContact CE1-NE2 3.96Å; F678-H686 AromaticContact CZ-CD2 3.69Å; F678-H686 PolarHBondContact O-NE2 3.38Å; R679-H686 PolarHBondContact O-CE1 2.86Å; Q682-H686 PolarHBondContact O-N 3.02Å; P683-H686 WeakPolarHBondContact O-CB 3.46Å; P683-H686 PolarHBondContact O-N 2.99Å; H686-M688 VanDerWaalsContact C-N 3.35Å; H686-M688 PolarHBondContact O-N 3.22Å; H686-Y689 WeakPolarHBondContact O-CB 3.26Å; H686-Y689 PolarHBondContact O-N 3.41Å; H686-Y689 VanDerWaalsContact O-N 3.16Å; H686-Y690 HydrophobicContact CB-CD2 4.37Å; H686-Y690 HydrophobicContact CB-CE2 4.04Å; H686-Y690 WeakPolarHBondContact O-CD2 3.45Å; H686-Y690 PolarHBondContact O-N 2.92Å; H686-N788 PolarHBondContact CE1-ND2 3.41Å; H686-N788 PolarHBondContact ND1-ND2 3.23Å; H686-V963 HydrophobicContact CB-CG1 4.13Å; H686-V963 HydrophobicContact CB-CG2 3.85Å
687	A	97.3	Very high	94.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.8	-47	179.4	0	0	0	0	0	112	P683 H684 Y689 Y690 L691 E797 V961 V963	P683-A687 PolarHBondContact O-N 2.86Å; H684-A687 PolarHBondContact O-N 3.06Å; A687-Y689 PolarHBondContact O-N 3.34Å; A687-Y690 PolarHBondContact O-N 3.06Å; A687-L691 PolarHBondContact O-N 3.39Å; A687-E797 HydrophobicContact CB-CB 4.03Å; A687-V961 HydrophobicContact CB-CB 4.39Å; A687-V961 HydrophobicContact CB-CG1 4.03Å; A687-V963 HydrophobicContact CB-CG2 4Å
688	M	98.3	Very high	94.6	Very high	74 Å²	74	38.2 Å²	38.2	37%	0.365	17%	0.171	S	C	.	.	H	α-helix	trans	-62.5	-37.6	175.7	-69.3	171.9	57.4	0	0	114	H684 H686 R692 E797 I854	H684-M688 WeakPolarHBondContact O-CG 3.43Å; H684-M688 PolarHBondContact O-N 3.07Å; H684-M688 VanDerWaalsContact O-N 3.08Å; H686-M688 VanDerWaalsContact C-N 3.35Å; H686-M688 PolarHBondContact O-N 3.22Å; M688-R692 WeakPolarHBondContact O-CB 3.25Å; M688-R692 PolarHBondContact O-N 3.07Å; M688-R692 VanDerWaalsContact O-N 3.11Å; M688-E797 VanDerWaalsContact CA-OE2 3.25Å; M688-E797 WeakPolarHBondContact CA-OE2 3.48Å; M688-E797 WeakPolarHBondContact CG-OE2 3.4Å; M688-I854 HydrophobicContact CG-CD1 3.86Å; M688-I854 HydrophobicContact SD-CD1 3.69Å
689	Y	96.4	Very high	94.3	Very high	12 Å²	12	36.9 Å²	36.9	5%	0.047	17%	0.168	C	C	.	.	H	α-helix	trans	-65.9	-48.4	176.6	157.5	-98.9	0	0	0	111.7	F678 Q685 H686 A687 R692 L693 T701 K702	F678-Y689 HydrophobicContact CD1-CE1 4.39Å; F678-Y689 AromaticContact CE1-CD1 3.41Å; F678-Y689 HydrophobicContact CE1-CD1 3.41Å; F678-Y689 VanDerWaalsContact CE1-CD1 3.41Å; F678-Y689 HydrophobicContact CE1-CD2 4.14Å; F678-Y689 AromaticContact CE1-CE1 3.64Å; F678-Y689 HydrophobicContact CE1-CE1 3.64Å; F678-Y689 HydrophobicContact CE1-CE2 4.36Å; F678-Y689 AromaticContact CE1-CG 3.67Å; F678-Y689 HydrophobicContact CE1-CG 3.67Å; F678-Y689 HydrophobicContact CE2-CG 4.47Å; F678-Y689 AromaticContact CZ-CD1 3.69Å; F678-Y689 HydrophobicContact CZ-CD1 3.69Å; F678-Y689 AromaticContact CZ-CD2 3.94Å; F678-Y689 HydrophobicContact CZ-CD2 3.94Å; F678-Y689 HydrophobicContact CZ-CE1 4.31Å; F678-Y689 AromaticContact CZ-CG 3.46Å; F678-Y689 HydrophobicContact CZ-CG 3.46Å; F678-Y689 VanDerWaalsContact CZ-CG 3.46Å; Q685-Y689 WeakPolarHBondContact O-CB 3.39Å; Q685-Y689 PolarHBondContact O-N 2.89Å; H686-Y689 WeakPolarHBondContact O-CB 3.26Å; H686-Y689 PolarHBondContact O-N 3.41Å; H686-Y689 VanDerWaalsContact O-N 3.16Å; A687-Y689 PolarHBondContact O-N 3.34Å; Y689-R692 PolarHBondContact O-N 3.22Å; Y689-L693 HydrophobicContact CD1-CD1 4.29Å; Y689-L693 HydrophobicContact CD2-CD1 4.29Å; Y689-L693 HydrophobicContact CE1-CD1 3.74Å; Y689-L693 HydrophobicContact CE2-CD1 3.71Å; Y689-L693 HydrophobicContact CE2-CG 4.34Å; Y689-L693 VanDerWaalsContact CZ-CD1 3.41Å; Y689-L693 PolarHBondContact O-N 3.06Å; Y689-L693 VanDerWaalsContact O-N 3.13Å; Y689-T701 WeakPolarHBondContact OH-CA 3.36Å; Y689-K702 HydrophobicContact CE2-CG 3.93Å; Y689-K702 PolarHBondContact OH-N 3.01Å
690	Y	94.3	Very high	94.2	Very high	28 Å²	28	32.1 Å²	32.1	11%	0.11	15%	0.15	C	C	.	.	H	α-helix	trans	-67.5	-39.4	178.5	-65.2	-61.5	0	0	0	111.9	H686 A687 R692 L693 L694 Y784 Q786 V961 V963	H686-Y690 HydrophobicContact CB-CD2 4.37Å; H686-Y690 HydrophobicContact CB-CE2 4.04Å; H686-Y690 WeakPolarHBondContact O-CD2 3.45Å; H686-Y690 PolarHBondContact O-N 2.92Å; A687-Y690 PolarHBondContact O-N 3.06Å; Y690-R692 VanDerWaalsContact C-N 3.3Å; Y690-R692 PolarHBondContact O-N 3.48Å; Y690-L693 HydrophobicContact CD1-CD1 4.42Å; Y690-L693 PolarHBondContact O-N 2.69Å; Y690-L693 VanDerWaalsContact O-N 3.14Å; Y690-L694 VanDerWaalsContact O-CG 3.29Å; Y690-L694 WeakPolarHBondContact O-CG 3.5Å; Y690-L694 PolarHBondContact O-N 2.8Å; Y690-Y784 AromaticContact CD1-CE1 3.63Å; Y690-Y784 HydrophobicContact CD1-CE1 3.63Å; Y690-Y784 HydrophobicContact CD2-CE1 4.16Å; Y690-Y784 HydrophobicContact CE1-CE1 4.2Å; Y690-Y784 HydrophobicContact CG-CD1 4.29Å; Y690-Y784 AromaticContact CG-CE1 3.63Å; Y690-Y784 HydrophobicContact CG-CE1 3.63Å; Y690-Q786 HydrophobicContact CD2-CB 4.47Å; Y690-Q786 HydrophobicContact CD2-CG 4.43Å; Y690-Q786 HydrophobicContact CE1-CG 4.13Å; Y690-Q786 HydrophobicContact CE2-CB 3.83Å; Y690-Q786 HydrophobicContact CE2-CG 3.89Å; Y690-V961 HydrophobicContact CD2-CG1 4.31Å; Y690-V963 HydrophobicContact CD2-CG2 4.39Å
691	L	95.6	Very high	94.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-40	175.1	-175.5	70	0	0	0	111.4	A687 L693 L694 M695 E797 Y799 V959 V961	A687-L691 PolarHBondContact O-N 3.39Å; L691-L693 VanDerWaalsContact C-N 3.31Å; L691-L693 PolarHBondContact O-N 3.48Å; L691-L694 PolarHBondContact O-N 3.18Å; L691-M695 HydrophobicContact CD1-CG 3.8Å; L691-M695 HydrophobicContact CG-CG 4.18Å; L691-M695 WeakPolarHBondContact O-CB 3.09Å; L691-M695 VanDerWaalsContact O-CG 3.31Å; L691-M695 WeakPolarHBondContact O-CG 3.41Å; L691-M695 PolarHBondContact O-N 3.28Å; L691-E797 VanDerWaalsContact CD2-CD 3.44Å; L691-E797 HydrophobicContact CD2-CG 3.87Å; L691-E797 VanDerWaalsContact CD2-OE2 3.24Å; L691-E797 WeakPolarHBondContact CD2-OE2 3.24Å; L691-Y799 HydrophobicContact CD1-CD1 4.28Å; L691-Y799 HydrophobicContact CD2-CD1 4.38Å; L691-Y799 HydrophobicContact CD2-CG 4.14Å; L691-V959 HydrophobicContact CD1-CB 4.27Å; L691-V959 HydrophobicContact CD1-CG1 3.78Å; L691-V961 HydrophobicContact CB-CG2 3.91Å; L691-V961 HydrophobicContact CD1-CG2 4.24Å
692	R	94.4	Very high	93.9	Very high	153 Å²	153	33.7 Å²	33.7	58%	0.577	16%	0.157	S	C	*	.	H	α-helix	trans	-61.6	-39.1	175.3	-175.8	178.3	64.2	-155.7	-1.8	112.1	M688 Y689 Y690 T696	M688-R692 WeakPolarHBondContact O-CB 3.25Å; M688-R692 PolarHBondContact O-N 3.07Å; M688-R692 VanDerWaalsContact O-N 3.11Å; Y689-R692 PolarHBondContact O-N 3.22Å; Y690-R692 VanDerWaalsContact C-N 3.3Å; Y690-R692 PolarHBondContact O-N 3.48Å; R692-T696 VanDerWaalsContact O-CB 3.3Å; R692-T696 WeakPolarHBondContact O-CB 3.49Å; R692-T696 PolarHBondContact O-N 3.49Å; R692-T696 PolarHBondContact O-OG1 3.21Å
693	L	90	Very high	93.6	Very high	28 Å²	28	38.1 Å²	38.1	15%	0.147	18%	0.182	C	C	.	.	H	α-helix	trans	-68.6	-47.8	176	-70.8	170.7	0	0	0	112.3	Y689 Y690 L691 M695 T696 T701	Y689-L693 HydrophobicContact CD1-CD1 4.29Å; Y689-L693 HydrophobicContact CD2-CD1 4.29Å; Y689-L693 HydrophobicContact CE1-CD1 3.74Å; Y689-L693 HydrophobicContact CE2-CD1 3.71Å; Y689-L693 HydrophobicContact CE2-CG 4.34Å; Y689-L693 VanDerWaalsContact CZ-CD1 3.41Å; Y689-L693 PolarHBondContact O-N 3.06Å; Y689-L693 VanDerWaalsContact O-N 3.13Å; Y690-L693 HydrophobicContact CD1-CD1 4.42Å; Y690-L693 PolarHBondContact O-N 2.69Å; Y690-L693 VanDerWaalsContact O-N 3.14Å; L691-L693 VanDerWaalsContact C-N 3.31Å; L691-L693 PolarHBondContact O-N 3.48Å; L693-M695 VanDerWaalsContact C-N 3.27Å; L693-M695 PolarHBondContact O-N 3.01Å; L693-T696 PolarHBondContact O-N 3.5Å; L693-T701 HydrophobicContact CD1-CG2 3.67Å; L693-T701 HydrophobicContact CD2-CG2 4.35Å
694	L	88.9	Confident	93.4	Very high	19 Å²	19	41.1 Å²	41.1	10%	0.099	20%	0.196	C	C	.	.	H	α-helix	trans	-60.9	-36.2	-179.2	-70.2	163.7	0	0	0	112.7	Y690 L691 V774 Y784 V961	Y690-L694 VanDerWaalsContact O-CG 3.29Å; Y690-L694 WeakPolarHBondContact O-CG 3.5Å; Y690-L694 PolarHBondContact O-N 2.8Å; L691-L694 PolarHBondContact O-N 3.18Å; L694-V774 WeakPolarHBondContact O-CG2 3.45Å; L694-Y784 HydrophobicContact CD1-CD1 4.01Å; L694-Y784 HydrophobicContact CD1-CD2 4.43Å; L694-Y784 HydrophobicContact CD1-CG 3.75Å; L694-Y784 HydrophobicContact CD2-CD2 4.07Å; L694-Y784 HydrophobicContact CD2-CG 4.21Å; L694-Y784 HydrophobicContact CG-CG 4.48Å; L694-V961 HydrophobicContact CD1-CG2 3.77Å
695	M	92.4	Very high	93.4	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-93.8	-8.4	-174.2	-60.5	-49	-61.1	0	0	114.6	L691 L693 E773 V774 V776 Y799 Q801 V959	L691-M695 HydrophobicContact CD1-CG 3.8Å; L691-M695 HydrophobicContact CG-CG 4.18Å; L691-M695 WeakPolarHBondContact O-CB 3.09Å; L691-M695 VanDerWaalsContact O-CG 3.31Å; L691-M695 WeakPolarHBondContact O-CG 3.41Å; L691-M695 PolarHBondContact O-N 3.28Å; L693-M695 VanDerWaalsContact C-N 3.27Å; L693-M695 PolarHBondContact O-N 3.01Å; M695-E773 HydrophobicContact CB-CG 4.28Å; M695-E773 HydrophobicContact CE-CG 4.06Å; M695-E773 CarbonylContact O-C 3.58Å; M695-E773 WeakPolarHBondContact O-CA 3.29Å; M695-E773 WeakPolarHBondContact O-CG 3.25Å; M695-V774 HydrophobicContact CE-CB 3.84Å; M695-V774 HydrophobicContact CE-CG1 4.09Å; M695-V774 VanDerWaalsContact CE-O 3.31Å; M695-V774 WeakPolarHBondContact CE-O 3.18Å; M695-V774 PolarHBondContact O-N 3.38Å; M695-V774 HydrophobicContact SD-CB 4.44Å; M695-V776 HydrophobicContact CE-CG2 3.92Å; M695-Y799 HydrophobicContact CE-CE1 4.21Å; M695-Y799 HydrophobicContact CG-CD1 4.34Å; M695-Y799 HydrophobicContact CG-CE1 4.45Å; M695-Q801 VanDerWaalsContact CE-NE2 3.28Å; M695-V959 HydrophobicContact SD-CB 4.43Å; M695-V959 HydrophobicContact SD-CG1 4.37Å; M695-V959 HydrophobicContact SD-CG2 4.02Å
696	T	90.3	Very high	93.3	Very high	23 Å²	23	39.7 Å²	39.7	14%	0.141	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-102.5	133.8	-177.8	-54.5	0	0	0	0	111.5	R692 L693 V698	R692-T696 VanDerWaalsContact O-CB 3.3Å; R692-T696 WeakPolarHBondContact O-CB 3.49Å; R692-T696 PolarHBondContact O-N 3.49Å; R692-T696 PolarHBondContact O-OG1 3.21Å; L693-T696 PolarHBondContact O-N 3.5Å; T696-V698 VanDerWaalsContact C-N 3.29Å; T696-V698 VanDerWaalsContact CG2-O 3.3Å; T696-V698 WeakPolarHBondContact CG2-O 3.29Å; T696-V698 PolarHBondContact O-N 3.23Å
697	E	89.2	Confident	93.2	Very high	60 Å²	60	46.3 Å²	46.3	28%	0.28	22%	0.218	S	C	.	.	S	Bend	trans	-49	-43.8	179.8	179.7	174.9	-155.4	0	0	114.1	Y771 R772 I1006	E697-Y771 HydrophobicContact CB-CD1 4.39Å; E697-Y771 WeakPolarHBondContact OE2-CA 3.37Å; E697-R772 HydrophobicContact CB-CB 4.37Å; E697-R772 PolarHBondContact N-O 2.77Å; E697-R772 IonicContact OE1-NE 2.74Å; E697-R772 WeakPolarHBondContact OE2-CB 3.31Å; E697-R772 WeakPolarHBondContact OE2-CD 3.32Å; E697-R772 WeakPolarHBondContact OE2-CG 3.3Å; E697-R772 PolarHBondContact OE2-N 2.87Å; E697-I1006 HydrophobicContact CG-CD1 4.32Å
698	V	90.1	Very high	93.2	Very high	36 Å²	36	47.1 Å²	47.1	22%	0.218	22%	0.223	C	C	.	.	S	Bend	trans	-133.5	126.2	168.6	-174.6	0	0	0	0	109.3	Y589 T696 W700 Y771	Y589-V698 HydrophobicContact CE1-CG1 4.33Å; T696-V698 VanDerWaalsContact C-N 3.29Å; T696-V698 VanDerWaalsContact CG2-O 3.3Å; T696-V698 WeakPolarHBondContact CG2-O 3.29Å; T696-V698 PolarHBondContact O-N 3.23Å; V698-W700 HydrophobicContact CG1-CH2 4.25Å; V698-W700 HydrophobicContact CG1-CZ2 3.73Å; V698-Y771 HydrophobicContact CB-CD1 3.99Å; V698-Y771 HydrophobicContact CB-CE1 3.56Å; V698-Y771 HydrophobicContact CG2-CD1 4Å; V698-Y771 HydrophobicContact CG2-CE1 3.55Å
699	G	89.6	Confident	93.2	Very high	10 Å²	10	43.7 Å²	43.7	10%	0.103	21%	0.206	C	C	.	.			trans	-149.5	129.5	167.5	0	0	0	0	0	109.4	R1002	G699-R1002 PolarHBondContact O-NH2 3.01Å
700	W	92.8	Very high	93.2	Very high	45 Å²	45	47.2 Å²	47.2	17%	0.17	23%	0.226	C	C	.	.			trans	-87.8	130.2	175.6	-54.6	125.9	0	0	0	110	Y589 P592 V698 L705	Y589-W700 AromaticContact CD1-CD1 3.87Å; Y589-W700 AromaticContact CD1-NE1 3.76Å; Y589-W700 AromaticContact CD2-CD1 3.98Å; Y589-W700 AromaticContact CE1-CD1 3.54Å; Y589-W700 HydrophobicContact CE1-CG 4.3Å; Y589-W700 AromaticContact CE1-NE1 3.78Å; Y589-W700 AromaticContact CE2-CD1 3.65Å; Y589-W700 AromaticContact CZ-CD1 3.41Å; Y589-W700 VanDerWaalsContact CZ-CD1 3.41Å; Y589-W700 PolarHBondContact O-NE1 3.19Å; Y589-W700 PolarHBondContact OH-N 2.91Å; P592-W700 HydrophobicContact CG-CB 4.3Å; P592-W700 HydrophobicContact CG-CD2 3.66Å; P592-W700 HydrophobicContact CG-CE3 3.65Å; P592-W700 HydrophobicContact CG-CG 3.93Å; P592-W700 HydrophobicContact CG-CZ3 4.24Å; V698-W700 HydrophobicContact CG1-CH2 4.25Å; V698-W700 HydrophobicContact CG1-CZ2 3.73Å; W700-L705 HydrophobicContact CB-CD2 4.12Å; W700-L705 HydrophobicContact CB-CG 4.12Å
701	T	91.9	Very high	93.4	Very high	32 Å²	32	50 Å²	50	20%	0.196	24%	0.243	C	C	.	.			trans	-73.1	159.2	177	59.6	0	0	0	0	111.1	Y689 L693 D703 E704 L705	Y689-T701 WeakPolarHBondContact OH-CA 3.36Å; L693-T701 HydrophobicContact CD1-CG2 3.67Å; L693-T701 HydrophobicContact CD2-CG2 4.35Å; T701-D703 PolarHBondContact O-N 3.21Å; T701-E704 VanDerWaalsContact CB-OE2 3.31Å; T701-E704 WeakPolarHBondContact CB-OE2 3.47Å; T701-E704 WeakPolarHBondContact CG2-OE2 3.26Å; T701-E704 PolarHBondContact N-OE2 3.44Å; T701-E704 PolarHBondContact O-N 3.47Å; T701-E704 VanDerWaalsContact OG1-CB 3.31Å; T701-E704 WeakPolarHBondContact OG1-CB 3.41Å; T701-E704 VanDerWaalsContact OG1-CD 3.29Å; T701-E704 WeakPolarHBondContact OG1-CG 3.24Å; T701-E704 PolarHBondContact OG1-N 3.34Å; T701-E704 PolarHBondContact OG1-OE2 3.14Å; T701-L705 WeakPolarHBondContact O-CB 3.4Å; T701-L705 WeakPolarHBondContact O-CG 3.39Å; T701-L705 PolarHBondContact O-N 3.14Å
702	K	93	Very high	93.5	Very high	59 Å²	59	50 Å²	50	26%	0.257	24%	0.243	S	C	.	.	H	α-helix	trans	-58.3	-31.7	170.5	-67.6	-67	-177.5	176.9	0	112	L675 F678 Y689 R706	L675-K702 HydrophobicContact CD2-CD 3.5Å; F678-K702 HydrophobicContact CB-CG 4.21Å; F678-K702 HydrophobicContact CD1-CG 3.97Å; F678-K702 HydrophobicContact CG-CG 4.02Å; Y689-K702 HydrophobicContact CE2-CG 3.93Å; Y689-K702 PolarHBondContact OH-N 3.01Å; K702-R706 WeakPolarHBondContact O-CB 3.28Å; K702-R706 PolarHBondContact O-N 3.13Å
703	D	90.4	Very high	93.7	Very high	110 Å²	110	45.4 Å²	45.4	59%	0.588	23%	0.232	S	C	*	.	H	α-helix	trans	-74.7	-42.9	178.9	-47.3	-65.2	0	0	0	111.8	T701 R706 E707	T701-D703 PolarHBondContact O-N 3.21Å; D703-R706 PolarHBondContact O-N 3.31Å; D703-E707 WeakPolarHBondContact O-CA 3.4Å; D703-E707 PolarHBondContact O-N 3.32Å
704	E	92.6	Very high	94.1	Very high	63 Å²	63	44.5 Å²	44.5	29%	0.294	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-39.3	171.5	-73.7	160.3	131	0	0	111.7	P592 T701 E707 S708 R1002	P592-E704 HydrophobicContact CB-CB 4.29Å; P592-E704 WeakPolarHBondContact CB-O 3.46Å; P592-E704 HydrophobicContact CG-CB 3.88Å; T701-E704 VanDerWaalsContact CB-OE2 3.31Å; T701-E704 WeakPolarHBondContact CB-OE2 3.47Å; T701-E704 WeakPolarHBondContact CG2-OE2 3.26Å; T701-E704 PolarHBondContact N-OE2 3.44Å; T701-E704 PolarHBondContact O-N 3.47Å; T701-E704 VanDerWaalsContact OG1-CB 3.31Å; T701-E704 WeakPolarHBondContact OG1-CB 3.41Å; T701-E704 VanDerWaalsContact OG1-CD 3.29Å; T701-E704 WeakPolarHBondContact OG1-CG 3.24Å; T701-E704 PolarHBondContact OG1-N 3.34Å; T701-E704 PolarHBondContact OG1-OE2 3.14Å; E704-E707 VanDerWaalsContact O-CA 3.31Å; E704-E707 WeakPolarHBondContact O-CA 3.48Å; E704-E707 PolarHBondContact O-N 3.11Å; E704-S708 PolarHBondContact O-N 3.38Å; E704-S708 VanDerWaalsContact O-N 3.08Å; E704-S708 PolarHBondContact O-OG 2.96Å; E704-R1002 IonicContact OE1-NH2 2.86Å
705	L	97.6	Very high	94.5	Very high	11 Å²	11	48.1 Å²	48.1	6%	0.058	25%	0.252	C	S	.	.	H	α-helix	trans	-67.8	-41.1	176.1	-69	169.6	0	0	0	111.6	P592 C595 N596 L675 W700 T701 S708 L709	P592-L705 HydrophobicContact CB-CD2 4.14Å; C595-L705 HydrophobicContact CB-CD2 3.63Å; C595-L705 VanDerWaalsContact SG-CD2 3.59Å; N596-L705 PolarHBondContact ND2-O 2.84Å; N596-L705 WeakPolarHBondContact OD1-CD2 3.25Å; N596-L705 PolarHBondContact OD1-O 2.87Å; L675-L705 HydrophobicContact CD1-CB 4.15Å; L675-L705 HydrophobicContact CD2-CB 4.21Å; W700-L705 HydrophobicContact CB-CD2 4.12Å; W700-L705 HydrophobicContact CB-CG 4.12Å; T701-L705 WeakPolarHBondContact O-CB 3.4Å; T701-L705 WeakPolarHBondContact O-CG 3.39Å; T701-L705 PolarHBondContact O-N 3.14Å; L705-S708 PolarHBondContact O-OG 3.4Å; L705-L709 WeakPolarHBondContact O-CB 3.24Å; L705-L709 PolarHBondContact O-N 3.16Å
706	R	96.9	Very high	94.8	Very high	65 Å²	65	53.3 Å²	53.3	25%	0.245	27%	0.271	C	S	.	.	H	α-helix	trans	-63	-51.7	171.3	-172.8	-101.7	71.2	82.2	176.7	109.3	L675 K702 D703 S708 L709 D710	L675-R706 HydrophobicContact CD1-CB 4.24Å; K702-R706 WeakPolarHBondContact O-CB 3.28Å; K702-R706 PolarHBondContact O-N 3.13Å; D703-R706 PolarHBondContact O-N 3.31Å; R706-S708 PolarHBondContact O-N 2.95Å; R706-L709 WeakPolarHBondContact O-CB 3.43Å; R706-L709 PolarHBondContact O-N 3.44Å; R706-D710 IonicContact CZ-OD1 3.63Å; R706-D710 IonicContact CZ-OD2 3.71Å; R706-D710 VanDerWaalsContact CZ-OD2 3.28Å; R706-D710 IonicContact NH1-OD1 2.89Å; R706-D710 IonicContact NH1-OD2 3.7Å; R706-D710 PolarHBondContact NH1-OD2 3.06Å; R706-D710 VanDerWaalsContact NH2-CG 3.28Å; R706-D710 IonicContact NH2-OD1 2.77Å; R706-D710 PolarHBondContact NH2-OD1 3.31Å; R706-D710 IonicContact NH2-OD2 2.69Å; R706-D710 PolarHBondContact NH2-OD2 2.92Å
707	E	95.3	Very high	95.2	Very high	145 Å²	145	52.2 Å²	52.2	68%	0.678	27%	0.265	S	S	*	.	H	α-helix	trans	-14.3	-75.9	160.4	172.3	-145.9	-105.9	0	0	112.9	D703 E704	D703-E707 WeakPolarHBondContact O-CA 3.4Å; D703-E707 PolarHBondContact O-N 3.32Å; E704-E707 VanDerWaalsContact O-CA 3.31Å; E704-E707 WeakPolarHBondContact O-CA 3.48Å; E704-E707 PolarHBondContact O-N 3.11Å
708	S	97.8	Very high	95.6	Very high	17 Å²	17	55.3 Å²	55.3	12%	0.119	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-0.4	-175.6	56.6	0	0	0	0	115.7	P592 L593 N596 E704 L705 R706 V712	P592-S708 WeakPolarHBondContact CB-OG 3.39Å; P592-S708 PolarHBondContact O-OG 3.29Å; L593-S708 WeakPolarHBondContact CD1-O 3.38Å; L593-S708 PolarHBondContact N-OG 2.82Å; N596-S708 PolarHBondContact ND2-OG 3.43Å; E704-S708 PolarHBondContact O-N 3.38Å; E704-S708 VanDerWaalsContact O-N 3.08Å; E704-S708 PolarHBondContact O-OG 2.96Å; L705-S708 PolarHBondContact O-OG 3.4Å; R706-S708 PolarHBondContact O-N 2.95Å; S708-V712 PolarHBondContact O-N 3.02Å
709	L	98.1	Very high	96	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-36.4	-177.9	-175.8	56.1	0	0	0	111.4	N596 L600 K668 Y671 M672 L675 L705 R706 D711 V712	N596-L709 HydrophobicContact CB-CD1 4.23Å; N596-L709 VanDerWaalsContact ND2-CA 3.34Å; N596-L709 WeakPolarHBondContact ND2-CA 3.2Å; N596-L709 PolarHBondContact ND2-N 2.85Å; L600-L709 HydrophobicContact CD1-CD1 3.86Å; K668-L709 WeakPolarHBondContact CE-O 3.45Å; K668-L709 HydrophobicContact CG-CD1 4.09Å; K668-L709 HydrophobicContact CG-CG 4.32Å; K668-L709 PolarHBondContact NZ-O 2.82Å; Y671-L709 HydrophobicContact CD1-CD1 3.72Å; Y671-L709 HydrophobicContact CD1-CD2 3.73Å; Y671-L709 HydrophobicContact CD1-CG 4.4Å; Y671-L709 HydrophobicContact CE1-CD1 4.07Å; Y671-L709 HydrophobicContact CE1-CD2 4.31Å; Y671-L709 HydrophobicContact CG-CD2 4.42Å; M672-L709 HydrophobicContact CB-CD2 3.67Å; M672-L709 HydrophobicContact CG-CD2 4.34Å; L675-L709 HydrophobicContact CD1-CD2 3.98Å; L705-L709 WeakPolarHBondContact O-CB 3.24Å; L705-L709 PolarHBondContact O-N 3.16Å; R706-L709 WeakPolarHBondContact O-CB 3.43Å; R706-L709 PolarHBondContact O-N 3.44Å; L709-D711 VanDerWaalsContact C-N 3.27Å; L709-D711 PolarHBondContact O-N 3Å; L709-V712 HydrophobicContact CD1-CB 4.48Å; L709-V712 HydrophobicContact CD1-CG2 4.17Å; L709-V712 WeakPolarHBondContact O-CB 3.27Å; L709-V712 PolarHBondContact O-N 3.22Å
710	D	95.9	Very high	96.4	Very high	86 Å²	86	56.3 Å²	56.3	46%	0.46	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-42.6	177.4	-60.1	-15.5	0	0	0	110.6	K668 R706 V712	K668-D710 PolarHBondContact NZ-O 3.08Å; R706-D710 IonicContact CZ-OD1 3.63Å; R706-D710 IonicContact CZ-OD2 3.71Å; R706-D710 VanDerWaalsContact CZ-OD2 3.28Å; R706-D710 IonicContact NH1-OD1 2.89Å; R706-D710 IonicContact NH1-OD2 3.7Å; R706-D710 PolarHBondContact NH1-OD2 3.06Å; R706-D710 VanDerWaalsContact NH2-CG 3.28Å; R706-D710 IonicContact NH2-OD1 2.77Å; R706-D710 PolarHBondContact NH2-OD1 3.31Å; R706-D710 IonicContact NH2-OD2 2.69Å; R706-D710 PolarHBondContact NH2-OD2 2.92Å; D710-V712 PolarHBondContact O-N 3.39Å
711	D	97.9	Very high	96.7	Very high	86 Å²	86	54.7 Å²	54.7	46%	0.46	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-16	174.2	-97.7	-58.6	0	0	0	114.2	L593 L709 T713 R716	L593-D711 HydrophobicContact CD1-CB 3.76Å; L709-D711 VanDerWaalsContact C-N 3.27Å; L709-D711 PolarHBondContact O-N 3Å; D711-T713 PolarHBondContact O-N 3.44Å; D711-T713 VanDerWaalsContact O-N 3.11Å; D711-R716 WeakPolarHBondContact O-CD 3.3Å; D711-R716 PolarHBondContact O-NH1 3.05Å; D711-R716 IonicContact OD1-CZ 2.75Å; D711-R716 IonicContact OD1-NH1 2.73Å; D711-R716 PolarHBondContact OD1-NH1 2.83Å; D711-R716 IonicContact OD1-NH2 2.8Å
712	V	98.4	Very high	97	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.293	C	S	.	.			trans	-71.3	111.5	172.6	-175.3	0	0	0	0	109.3	L593 N596 M597 L600 F664 K668 S708 L709 D710	L593-V712 HydrophobicContact CD1-CB 4.49Å; L593-V712 HydrophobicContact CD1-CG2 3.63Å; N596-V712 HydrophobicContact CB-CG2 3.75Å; M597-V712 HydrophobicContact CG-CG1 3.87Å; M597-V712 HydrophobicContact CG-CG2 4.05Å; L600-V712 HydrophobicContact CD1-CB 4.28Å; L600-V712 HydrophobicContact CD1-CG1 3.8Å; L600-V712 HydrophobicContact CD1-CG2 4.37Å; F664-V712 HydrophobicContact CE2-CG1 4.01Å; F664-V712 HydrophobicContact CZ-CG1 4.16Å; K668-V712 PolarHBondContact NZ-O 3.2Å; S708-V712 PolarHBondContact O-N 3.02Å; L709-V712 HydrophobicContact CD1-CB 4.48Å; L709-V712 HydrophobicContact CD1-CG2 4.17Å; L709-V712 WeakPolarHBondContact O-CB 3.27Å; L709-V712 PolarHBondContact O-N 3.22Å; D710-V712 PolarHBondContact O-N 3.39Å
713	T	98.4	Very high	97.2	Very high	58 Å²	58	58 Å²	58	36%	0.356	30%	0.3	S	S	.	.			trans	-115	152.3	174.3	64.5	0	0	0	0	110.4	D711 P715 R716 L717	D711-T713 PolarHBondContact O-N 3.44Å; D711-T713 VanDerWaalsContact O-N 3.11Å; T713-P715 VanDerWaalsContact C-N 3.32Å; T713-R716 WeakPolarHBondContact O-CA 3.42Å; T713-R716 WeakPolarHBondContact O-CB 3.36Å; T713-R716 PolarHBondContact O-N 2.88Å; T713-R716 WeakPolarHBondContact OG1-CG 3.46Å; T713-L717 PolarHBondContact O-N 2.83Å
714	L	98	Very high	97.6	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-54	-39.1	-179.9	-179.9	60.4	0	0	0	113.7	I659 E661 F664 L717 R718	I659-L714 HydrophobicContact CB-CD1 3.87Å; I659-L714 HydrophobicContact CD1-CD1 4.1Å; I659-L714 HydrophobicContact CG2-CD1 3.43Å; I659-L714 VanDerWaalsContact CG2-CD1 3.43Å; E661-L714 HydrophobicContact CB-CD2 3.64Å; E661-L714 HydrophobicContact CG-CD2 3.57Å; F664-L714 HydrophobicContact CB-CD1 4.25Å; F664-L714 HydrophobicContact CD1-CB 4.03Å; F664-L714 HydrophobicContact CD2-CD1 4.3Å; F664-L714 HydrophobicContact CE1-CB 4.05Å; F664-L714 HydrophobicContact CG-CB 4.4Å; F664-L714 HydrophobicContact CG-CD1 4.09Å; F664-L714 HydrophobicContact CZ-CB 4.4Å; L714-L717 PolarHBondContact O-N 3.12Å; L714-R718 HydrophobicContact CD1-CG 4.21Å; L714-R718 WeakPolarHBondContact O-CB 3.41Å; L714-R718 VanDerWaalsContact O-CG 3.32Å; L714-R718 WeakPolarHBondContact O-CG 3.48Å; L714-R718 PolarHBondContact O-N 2.75Å
715	P	98.4	Very high	97.9	Very high	94 Å²	94	49.9 Å²	49.9	61%	0.61	26%	0.258	S	S	*	.	H	α-helix	trans	-64	-37.1	171.6	-24.3	35.8	0	0	0	114.3	T713 A719	T713-P715 VanDerWaalsContact C-N 3.32Å; P715-A719 PolarHBondContact O-N 2.74Å; P715-A719 VanDerWaalsContact O-N 3.1Å
716	R	98.4	Very high	97.9	Very high	110 Å²	110	51.3 Å²	51.3	42%	0.415	27%	0.269	S	S	.	.	H	α-helix	trans	-66.4	-45.1	175.1	-76.4	175.9	170.8	167.8	-5	110.8	M597 D711 T713 R718 A719 F720	M597-R716 HydrophobicContact SD-CB 4.11Å; D711-R716 WeakPolarHBondContact O-CD 3.3Å; D711-R716 PolarHBondContact O-NH1 3.05Å; D711-R716 IonicContact OD1-CZ 2.75Å; D711-R716 IonicContact OD1-NH1 2.73Å; D711-R716 PolarHBondContact OD1-NH1 2.83Å; D711-R716 IonicContact OD1-NH2 2.8Å; T713-R716 WeakPolarHBondContact O-CA 3.42Å; T713-R716 WeakPolarHBondContact O-CB 3.36Å; T713-R716 PolarHBondContact O-N 2.88Å; T713-R716 WeakPolarHBondContact OG1-CG 3.46Å; R716-R718 PolarHBondContact O-N 2.92Å; R716-A719 PolarHBondContact O-N 3.26Å; R716-F720 WeakPolarHBondContact O-CB 3.24Å; R716-F720 PolarHBondContact O-N 2.91Å
717	L	98.5	Very high	98	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-40.8	177.4	-172.3	63.9	0	0	0	112.3	M597 L600 L604 I659 F664 T713 L714 A719 F720 I721	M597-L717 HydrophobicContact CB-CD1 3.72Å; M597-L717 HydrophobicContact CG-CD1 4.02Å; M597-L717 WeakPolarHBondContact O-CD1 3.46Å; L600-L717 HydrophobicContact CB-CD2 4.41Å; L604-L717 HydrophobicContact CD1-CD2 3.76Å; I659-L717 HydrophobicContact CD1-CB 4.35Å; I659-L717 HydrophobicContact CD1-CD2 3.78Å; I659-L717 HydrophobicContact CD1-CG 3.79Å; F664-L717 HydrophobicContact CD2-CD2 3.64Å; F664-L717 HydrophobicContact CE2-CB 4.42Å; F664-L717 HydrophobicContact CE2-CD2 3.76Å; T713-L717 PolarHBondContact O-N 2.83Å; L714-L717 PolarHBondContact O-N 3.12Å; L717-A719 VanDerWaalsContact C-N 3.3Å; L717-A719 PolarHBondContact O-N 2.92Å; L717-F720 HydrophobicContact CD1-CD1 4.08Å; L717-F720 PolarHBondContact O-N 2.83Å; L717-I721 HydrophobicContact CG-CD1 4.37Å; L717-I721 PolarHBondContact O-N 2.71Å
718	R	98.1	Very high	98.2	Very high	124 Å²	124	45.2 Å²	45.2	47%	0.468	24%	0.24	S	C	.	.	H	α-helix	trans	-63.9	-29.9	174.2	-76.1	175.8	175.4	161.1	1.3	113.3	I659 L714 R716 P722	I659-R718 HydrophobicContact CD1-CG 3.84Å; I659-R718 PolarHBondContact O-NH2 2.81Å; L714-R718 HydrophobicContact CD1-CG 4.21Å; L714-R718 WeakPolarHBondContact O-CB 3.41Å; L714-R718 VanDerWaalsContact O-CG 3.32Å; L714-R718 WeakPolarHBondContact O-CG 3.48Å; L714-R718 PolarHBondContact O-N 2.75Å; R716-R718 PolarHBondContact O-N 2.92Å; R718-P722 WeakPolarHBondContact O-CD 3.3Å
719	A	98.2	Very high	98.2	Very high	63 Å²	63	45 Å²	45	52%	0.521	24%	0.237	S	C	.	.	H	α-helix	trans	-79.6	-36.5	173.3	0	0	0	0	0	112.7	P715 R716 L717 P722 E723	P715-A719 PolarHBondContact O-N 2.74Å; P715-A719 VanDerWaalsContact O-N 3.1Å; R716-A719 PolarHBondContact O-N 3.26Å; L717-A719 VanDerWaalsContact C-N 3.3Å; L717-A719 PolarHBondContact O-N 2.92Å; A719-P722 WeakPolarHBondContact O-CD 3.43Å; A719-E723 PolarHBondContact O-N 3.13Å
720	F	98.6	Very high	98.2	Very high	4 Å²	4	45 Å²	45	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-38.8	-178.4	164.6	-97.9	0	0	0	113.8	F587 H594 M597 A598 R716 L717 E723 L724	F587-F720 HydrophobicContact CB-CE2 4.47Å; F587-F720 WeakPolarHBondContact O-CE2 3.49Å; H594-F720 HydrophobicContact CB-CE2 4.47Å; H594-F720 AromaticContact CD2-CD2 3.8Å; H594-F720 AromaticContact CD2-CE2 3.81Å; M597-F720 VanDerWaalsContact C-CE1 3.45Å; M597-F720 HydrophobicContact CB-CB 4.42Å; M597-F720 HydrophobicContact CB-CD1 3.56Å; M597-F720 HydrophobicContact CB-CD2 4.18Å; M597-F720 HydrophobicContact CB-CE1 3.71Å; M597-F720 HydrophobicContact CB-CE2 4.31Å; M597-F720 HydrophobicContact CB-CG 3.78Å; M597-F720 HydrophobicContact CB-CZ 4.09Å; M597-F720 HydrophobicContact CE-CB 3.84Å; M597-F720 HydrophobicContact CE-CD2 3.66Å; M597-F720 HydrophobicContact CE-CE2 4.4Å; M597-F720 HydrophobicContact CE-CG 3.82Å; M597-F720 HydrophobicContact SD-CB 3.76Å; M597-F720 HydrophobicContact SD-CG 4.07Å; A598-F720 HydrophobicContact CB-CE1 4.39Å; A598-F720 HydrophobicContact CB-CZ 3.93Å; R716-F720 WeakPolarHBondContact O-CB 3.24Å; R716-F720 PolarHBondContact O-N 2.91Å; L717-F720 HydrophobicContact CD1-CD1 4.08Å; L717-F720 PolarHBondContact O-N 2.83Å; F720-E723 WeakPolarHBondContact O-CB 3.38Å; F720-E723 PolarHBondContact O-N 2.61Å; F720-E723 VanDerWaalsContact O-N 3.09Å; F720-L724 HydrophobicContact CE1-CB 4.21Å; F720-L724 HydrophobicContact CE1-CD2 3.79Å; F720-L724 HydrophobicContact CE1-CG 4.46Å; F720-L724 HydrophobicContact CE2-CB 4.18Å; F720-L724 HydrophobicContact CE2-CD1 4.37Å; F720-L724 HydrophobicContact CZ-CB 3.98Å; F720-L724 HydrophobicContact CZ-CD1 3.95Å; F720-L724 HydrophobicContact CZ-CD2 3.82Å; F720-L724 HydrophobicContact CZ-CG 4.13Å; F720-L724 WeakPolarHBondContact O-CB 3.3Å; F720-L724 PolarHBondContact O-N 3.13Å
721	I	98.4	Very high	98.4	Very high	11 Å²	11	41 Å²	41	6%	0.056	22%	0.216	C	C	.	.	H	α-helix	trans	-61.4	-48.4	-176.2	-67.3	160.6	0	0	0	112	Y601 F657 I659 L717 E723 L724 L725	Y601-I721 HydrophobicContact CD1-CG1 4.29Å; Y601-I721 HydrophobicContact CD2-CD1 3.49Å; Y601-I721 VanDerWaalsContact CD2-CD1 3.49Å; Y601-I721 HydrophobicContact CD2-CG1 3.68Å; Y601-I721 HydrophobicContact CD2-CG2 4.4Å; Y601-I721 HydrophobicContact CE2-CD1 4.1Å; Y601-I721 HydrophobicContact CE2-CG1 4.19Å; Y601-I721 HydrophobicContact CE2-CG2 4.04Å; Y601-I721 HydrophobicContact CG-CD1 3.98Å; Y601-I721 HydrophobicContact CG-CG1 3.75Å; F657-I721 HydrophobicContact CD1-CD1 4.01Å; I659-I721 HydrophobicContact CD1-CD1 3.71Å; I659-I721 HydrophobicContact CG1-CD1 4.3Å; L717-I721 HydrophobicContact CG-CD1 4.37Å; L717-I721 PolarHBondContact O-N 2.71Å; I721-E723 VanDerWaalsContact C-N 3.31Å; I721-E723 PolarHBondContact O-N 3.37Å; I721-L724 PolarHBondContact O-N 2.7Å; I721-L725 HydrophobicContact CG2-CD1 3.97Å; I721-L725 WeakPolarHBondContact O-CB 3.42Å; I721-L725 WeakPolarHBondContact O-CG 3.25Å; I721-L725 PolarHBondContact O-N 2.88Å; I721-L725 VanDerWaalsContact O-N 3.08Å
722	P	98.1	Very high	98.4	Very high	77 Å²	77	37 Å²	37	50%	0.5	19%	0.194	S	C	.	.	H	α-helix	trans	-58.3	-37.9	170.2	-27	35.3	0	0	0	113.9	R718 A719 S726	R718-P722 WeakPolarHBondContact O-CD 3.3Å; A719-P722 WeakPolarHBondContact O-CD 3.43Å; P722-S726 WeakPolarHBondContact O-CA 3.41Å; P722-S726 WeakPolarHBondContact O-CB 3.39Å; P722-S726 PolarHBondContact O-N 3.13Å
723	E	98.1	Very high	98.4	Very high	85 Å²	85	37 Å²	37	40%	0.397	19%	0.194	S	C	.	.	H	α-helix	trans	-65.7	-49.1	178.3	-178.6	165.1	-144.8	0	0	111.9	F587 A719 F720 I721 L725 S726	F587-E723 HydrophobicContact CD1-CG 3.83Å; F587-E723 HydrophobicContact CD2-CG 4.17Å; F587-E723 HydrophobicContact CE1-CG 3.78Å; F587-E723 VanDerWaalsContact CE1-OE1 3.24Å; F587-E723 WeakPolarHBondContact CE1-OE1 3.37Å; F587-E723 HydrophobicContact CE2-CG 4.13Å; F587-E723 HydrophobicContact CG-CG 4.03Å; F587-E723 HydrophobicContact CZ-CG 3.93Å; A719-E723 PolarHBondContact O-N 3.13Å; F720-E723 WeakPolarHBondContact O-CB 3.38Å; F720-E723 PolarHBondContact O-N 2.61Å; F720-E723 VanDerWaalsContact O-N 3.09Å; I721-E723 VanDerWaalsContact C-N 3.31Å; I721-E723 PolarHBondContact O-N 3.37Å; E723-L725 VanDerWaalsContact C-N 3.33Å; E723-L725 PolarHBondContact O-N 3.27Å; E723-S726 WeakPolarHBondContact O-CB 3.48Å; E723-S726 PolarHBondContact O-N 3.28Å; E723-S726 PolarHBondContact O-OG 3.19Å
724	L	98.4	Very high	98.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-54.7	-46.3	176.1	178.2	70.7	0	0	0	112	S585 F587 A588 Y601 M632 F720 I721 L728	S585-L724 PolarHBondContact OG-O 2.82Å; F587-L724 HydrophobicContact CB-CD1 4.34Å; A588-L724 HydrophobicContact CB-CD1 3.92Å; Y601-L724 HydrophobicContact CD1-CD2 3.79Å; Y601-L724 HydrophobicContact CE1-CD2 3.89Å; M632-L724 HydrophobicContact SD-CD2 3.86Å; F720-L724 HydrophobicContact CE1-CB 4.21Å; F720-L724 HydrophobicContact CE1-CD2 3.79Å; F720-L724 HydrophobicContact CE1-CG 4.46Å; F720-L724 HydrophobicContact CE2-CB 4.18Å; F720-L724 HydrophobicContact CE2-CD1 4.37Å; F720-L724 HydrophobicContact CZ-CB 3.98Å; F720-L724 HydrophobicContact CZ-CD1 3.95Å; F720-L724 HydrophobicContact CZ-CD2 3.82Å; F720-L724 HydrophobicContact CZ-CG 4.13Å; F720-L724 WeakPolarHBondContact O-CB 3.3Å; F720-L724 PolarHBondContact O-N 3.13Å; I721-L724 PolarHBondContact O-N 2.7Å; L724-L728 WeakPolarHBondContact O-CD2 3.38Å
725	L	98.6	Very high	98.5	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-83.5	-16	-178	-60.9	178.9	0	0	0	113.6	M632 I721 E723 R727 L728 A758 T760	M632-L725 HydrophobicContact CE-CD2 3.71Å; I721-L725 HydrophobicContact CG2-CD1 3.97Å; I721-L725 WeakPolarHBondContact O-CB 3.42Å; I721-L725 WeakPolarHBondContact O-CG 3.25Å; I721-L725 PolarHBondContact O-N 2.88Å; I721-L725 VanDerWaalsContact O-N 3.08Å; E723-L725 VanDerWaalsContact C-N 3.33Å; E723-L725 PolarHBondContact O-N 3.27Å; L725-R727 PolarHBondContact O-N 2.98Å; L725-L728 HydrophobicContact CD2-CD1 4.24Å; L725-A758 HydrophobicContact CB-CB 3.83Å; L725-A758 HydrophobicContact CD1-CB 4.12Å; L725-T760 WeakPolarHBondContact O-CB 3.21Å; L725-T760 WeakPolarHBondContact O-CG2 3.47Å; L725-T760 PolarHBondContact O-OG1 2.88Å
726	S	97.9	Very high	98.5	Very high	41 Å²	41	29.3 Å²	29.3	29%	0.287	15%	0.146	S	C	.	.	H	α-helix	trans	-60.1	-32.8	-175.8	69.3	0	0	0	0	113.4	P722 E723 T760 K761	P722-S726 WeakPolarHBondContact O-CA 3.41Å; P722-S726 WeakPolarHBondContact O-CB 3.39Å; P722-S726 PolarHBondContact O-N 3.13Å; E723-S726 WeakPolarHBondContact O-CB 3.48Å; E723-S726 PolarHBondContact O-N 3.28Å; E723-S726 PolarHBondContact O-OG 3.19Å; S726-T760 WeakPolarHBondContact O-CA 3.4Å; S726-K761 PolarHBondContact O-N 3.36Å
727	R	98.3	Very high	98.5	Very high	81 Å²	81	24.3 Å²	24.3	31%	0.306	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	113.6	179.7	-60.2	-165.2	70.5	-170.7	-1.9	112.5	L725 K761 P762 L763	L725-R727 PolarHBondContact O-N 2.98Å; R727-K761 CarbonylContact C-O 3.58Å; R727-K761 WeakPolarHBondContact CA-O 3.17Å; R727-K761 HydrophobicContact CG-CB 4.49Å; R727-P762 PolarHBondContact NE-O 3.43Å; R727-P762 PolarHBondContact NH2-O 3.24Å; R727-L763 HydrophobicContact CB-CD2 3.85Å; R727-L763 HydrophobicContact CB-CG 4.44Å
728	L	98.7	Very high	98.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	163	-177.5	-61.4	178.1	0	0	0	112.1	F583 F584 L724 L725 L754 T760 K761 P762 L763	F583-L728 HydrophobicContact CD1-CD1 4.23Å; F584-L728 WeakPolarHBondContact O-CA 3.31Å; F584-L728 WeakPolarHBondContact O-CD2 3.28Å; L724-L728 WeakPolarHBondContact O-CD2 3.38Å; L725-L728 HydrophobicContact CD2-CD1 4.24Å; L728-L754 HydrophobicContact CD1-CD1 4.25Å; L728-T760 HydrophobicContact CB-CG2 3.77Å; L728-T760 HydrophobicContact CD1-CG2 3.94Å; L728-T760 HydrophobicContact CG-CG2 3.83Å; L728-K761 PolarHBondContact N-O 3.15Å; L728-K761 VanDerWaalsContact N-O 3.07Å; L728-P762 CarbonylContact O-C 3.38Å; L728-P762 WeakPolarHBondContact O-CA 3.16Å; L728-L763 PolarHBondContact O-N 3.17Å
729	H	98.8	Very high	98.4	Very high	14 Å²	14	20.4 Å²	20.4	7%	0.065	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147.6	151.7	179	75.5	0	0	0	107	A560 M561 F583 F584 L763 L768	A560-H729 PolarHBondContact O-ND1 2.68Å; M561-H729 CarbonylContact O-C 3.55Å; M561-H729 WeakPolarHBondContact O-CA 3.07Å; M561-H729 PolarHBondContact O-ND1 2.8Å; F583-H729 CarbonylContact C-O 3.59Å; F583-H729 WeakPolarHBondContact CA-O 3.44Å; F584-H729 HydrophobicContact CB-CB 4.27Å; F584-H729 HydrophobicContact CD2-CB 4.26Å; F584-H729 AromaticContact CD2-CD2 3.77Å; F584-H729 WeakPolarHBondContact CD2-O 3.29Å; F584-H729 PolarHBondContact N-O 2.7Å; F584-H729 PolarHBondContact O-N 2.96Å; H729-L763 HydrophobicContact CB-CB 4.4Å; H729-L763 HydrophobicContact CB-CD1 4.27Å; H729-L768 HydrophobicContact CB-CD1 4.42Å; H729-L768 HydrophobicContact CB-CD2 3.75Å
730	I	98.8	Very high	98.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	110.4	-176.3	-43.3	174.7	0	0	0	108.8	M561 S562 K563 F581 E582 F583 M747 V750 L754	M561-I730 PolarHBondContact O-N 2.64Å; S562-I730 CarbonylContact C-O 3.48Å; S562-I730 WeakPolarHBondContact CA-O 3.12Å; K563-I730 PolarHBondContact N-O 2.83Å; F581-I730 HydrophobicContact CB-CG2 4.26Å; F581-I730 HydrophobicContact CD1-CG2 4.29Å; E582-I730 WeakPolarHBondContact O-CA 3.05Å; F583-I730 HydrophobicContact CD1-CB 4.47Å; F583-I730 HydrophobicContact CD1-CD1 3.84Å; F583-I730 HydrophobicContact CD1-CG1 3.75Å; F583-I730 HydrophobicContact CD1-CG2 4Å; F583-I730 HydrophobicContact CE1-CD1 3.77Å; F583-I730 HydrophobicContact CE1-CG1 4.14Å; F583-I730 HydrophobicContact CE1-CG2 4.03Å; I730-M747 HydrophobicContact CB-CE 4.03Å; I730-M747 HydrophobicContact CD1-CE 3.7Å; I730-M747 HydrophobicContact CG1-CE 4.45Å; I730-M747 HydrophobicContact CG2-CE 3.94Å; I730-V750 HydrophobicContact CD1-CG1 4.28Å; I730-L754 HydrophobicContact CD1-CD1 3.98Å
731	E	98.8	Very high	98.2	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.014	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.2	168.6	-169.6	157.9	-152.8	0	0	108.7	K563 W565 E582 F584 W913 I916 Q919 Y921	K563-E731 HydrophobicContact CB-CG 4.32Å; K563-E731 WeakPolarHBondContact CD-OE1 3.39Å; K563-E731 IonicContact NZ-OE1 3.44Å; K563-E731 PolarHBondContact NZ-OE1 2.74Å; K563-E731 CarbonylContact O-C 2.92Å; K563-E731 WeakPolarHBondContact O-CA 3.43Å; W565-E731 PolarHBondContact NE1-OE1 2.89Å; E582-E731 PolarHBondContact N-O 2.83Å; E582-E731 PolarHBondContact O-N 3.07Å; F584-E731 HydrophobicContact CE2-CB 3.75Å; F584-E731 HydrophobicContact CZ-CB 4.48Å; E731-W913 WeakPolarHBondContact O-CH2 3.07Å; E731-I916 HydrophobicContact CG-CG2 3.68Å; E731-Q919 PolarHBondContact OE2-NE2 2.86Å; E731-Q919 VanDerWaalsContact OE2-NE2 3.09Å; E731-Y921 VanDerWaalsContact OE1-CE1 3.29Å; E731-Y921 WeakPolarHBondContact OE1-CE1 3.23Å; E731-Y921 PolarHBondContact OE1-OH 2.95Å; E731-Y921 VanDerWaalsContact OE1-OH 3.07Å; E731-Y921 PolarHBondContact OE2-OH 3.1Å
732	A	98.8	Very high	98.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.9	-168	0	0	0	0	0	112.5	K563 W565 N580 F581 L734 M747	K563-A732 PolarHBondContact O-N 3.3Å; W565-A732 WeakPolarHBondContact CB-O 3.03Å; W565-A732 PolarHBondContact N-O 3.49Å; N580-A732 CarbonylContact O-C 3.42Å; N580-A732 WeakPolarHBondContact O-CA 3.37Å; F581-A732 HydrophobicContact CD1-CB 3.68Å; F581-A732 HydrophobicContact CE1-CB 4.11Å; F581-A732 HydrophobicContact CG-CB 4.48Å; A732-L734 HydrophobicContact CB-CD1 3.91Å; A732-M747 HydrophobicContact CB-SD 4Å
733	L	98.9	Very high	98.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	116.3	170.4	174.5	63.5	0	0	0	109.4	P553 W565 N580 H735 W913 I916	P553-L733 HydrophobicContact CB-CD1 4.05Å; P553-L733 HydrophobicContact CG-CD1 4.06Å; W565-L733 HydrophobicContact CB-CD1 3.91Å; W565-L733 WeakPolarHBondContact O-CA 3.43Å; N580-L733 HydrophobicContact CB-CB 4.43Å; N580-L733 PolarHBondContact N-O 2.86Å; N580-L733 PolarHBondContact O-N 2.87Å; L733-H735 HydrophobicContact CD1-CB 4.39Å; L733-H735 HydrophobicContact CG-CB 4.39Å; L733-W913 HydrophobicContact CB-CE3 3.57Å; L733-W913 HydrophobicContact CB-CZ3 3.73Å; L733-W913 HydrophobicContact CD2-CB 4.27Å; L733-W913 HydrophobicContact CD2-CE3 4.2Å; L733-I916 HydrophobicContact CB-CD1 3.93Å; L733-I916 HydrophobicContact CD1-CD1 4.05Å; L733-I916 HydrophobicContact CD2-CD1 4.1Å; L733-I916 HydrophobicContact CG-CD1 4.24Å
734	L	98.7	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	113.8	175.4	-68.9	82.7	0	0	0	108.5	V564 W565 F566 K567 L579 F581 A732 I738 A743 M746	V564-L734 HydrophobicContact CG1-CD1 3.91Å; W565-L734 PolarHBondContact O-N 3.44Å; F566-L734 WeakPolarHBondContact CA-O 2.96Å; F566-L734 HydrophobicContact CD2-CB 4.48Å; F566-L734 WeakPolarHBondContact CD2-O 3.48Å; K567-L734 PolarHBondContact N-O 3.12Å; L579-L734 HydrophobicContact CD2-CB 4.1Å; L579-L734 HydrophobicContact CD2-CD2 4.01Å; L579-L734 HydrophobicContact CD2-CG 3.91Å; F581-L734 HydrophobicContact CE1-CD1 4.37Å; A732-L734 HydrophobicContact CB-CD1 3.91Å; L734-I738 HydrophobicContact CB-CD1 3.87Å; L734-A743 HydrophobicContact CB-CB 4.16Å; L734-A743 HydrophobicContact CD2-CB 3.91Å; L734-M746 HydrophobicContact CD2-CB 4.2Å; L734-M746 HydrophobicContact CD2-CE 4.06Å
735	H	98.7	Very high	98.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	121.1	-171.1	177.7	-153.7	0	0	0	112.1	K567 C578 L733 L905 E908 C909 Y912	K567-H735 PolarHBondContact NZ-NE2 2.84Å; K567-H735 WeakPolarHBondContact O-CA 3.35Å; K567-H735 PolarHBondContact O-CD2 2.76Å; C578-H735 PolarHBondContact N-O 2.83Å; C578-H735 PolarHBondContact O-N 3.45Å; L733-H735 HydrophobicContact CD1-CB 4.39Å; L733-H735 HydrophobicContact CG-CB 4.39Å; H735-L905 WeakPolarHBondContact NE2-CD1 3.5Å; H735-E908 WeakPolarHBondContact CE1-CB 3.47Å; H735-E908 WeakPolarHBondContact CE1-CG 3.39Å; H735-E908 IonicContact CE1-OE2 3.39Å; H735-E908 PolarHBondContact CE1-OE2 3.48Å; H735-E908 IonicContact NE2-OE2 2.96Å; H735-E908 PolarHBondContact NE2-OE2 2.74Å; H735-C909 PolarHBondContact CE1-N 3.23Å; H735-Y912 AromaticContact CE1-CE2 3.71Å; H735-Y912 AromaticContact ND1-CD2 3.91Å
736	G	98.3	Very high	98.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.5	-155.5	177.8	0	0	0	0	0	114.7	K567 D569 I738	K567-G736 PolarHBondContact O-N 3.06Å; D569-G736 PolarHBondContact N-O 3.08Å; G736-I738 PolarHBondContact O-N 3.06Å
737	N	98.4	Very high	98.1	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.027	14%	0.142	C	C	.	.	S	Bend	trans	-73.7	69.7	172.2	-175.7	44.1	0	0	0	111.6	E541 I542 Y543 L574 K576 N640	E541-N737 PolarHBondContact O-ND2 2.75Å; I542-N737 WeakPolarHBondContact CA-OD1 3.48Å; Y543-N737 PolarHBondContact N-OD1 2.9Å; L574-N737 WeakPolarHBondContact O-CB 3.34Å; K576-N737 PolarHBondContact O-N 2.85Å; N640-N737 PolarHBondContact OD1-ND2 3.07Å
738	I	97.8	Very high	98.1	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.026	14%	0.143	C	C	.	.			trans	-148.1	145.2	179.6	43.2	164.6	0	0	0	109.6	F566 A577 L579 N640 L734 G736 A743 M746	F566-I738 HydrophobicContact CE2-CD1 4.17Å; F566-I738 HydrophobicContact CE2-CG1 4.14Å; F566-I738 WeakPolarHBondContact CZ-O 3.4Å; A577-I738 HydrophobicContact CB-CD1 4.44Å; A577-I738 HydrophobicContact CB-CG1 4.31Å; A577-I738 HydrophobicContact CB-CG2 4.23Å; L579-I738 HydrophobicContact CD2-CD1 3.97Å; N640-I738 HydrophobicContact CB-CG2 4.47Å; L734-I738 HydrophobicContact CB-CD1 3.87Å; G736-I738 PolarHBondContact O-N 3.06Å; I738-A743 HydrophobicContact CD1-CB 4.48Å; I738-M746 HydrophobicContact CD1-CE 4.13Å; I738-M746 HydrophobicContact CG2-CE 3.99Å
739	T	96.9	Very high	98.1	Very high	38 Å²	38	28.1 Å²	28.1	23%	0.233	15%	0.152	C	C	.	.			trans	-81.2	161.5	173.7	65.1	0	0	0	0	111.5	Y543 E741 S742 A743	Y543-T739 HydrophobicContact CD1-CG2 4.44Å; Y543-T739 HydrophobicContact CG-CG2 4.28Å; T739-E741 VanDerWaalsContact C-N 3.27Å; T739-E741 PolarHBondContact O-N 2.69Å; T739-S742 WeakPolarHBondContact O-CB 3.35Å; T739-S742 PolarHBondContact O-N 3.42Å; T739-S742 WeakPolarHBondContact OG1-CB 3.49Å; T739-S742 PolarHBondContact OG1-N 2.64Å; T739-S742 VanDerWaalsContact OG1-N 3.13Å; T739-A743 PolarHBondContact O-N 2.89Å
740	K	96.8	Very high	98.1	Very high	87 Å²	87	27.4 Å²	27.4	38%	0.378	15%	0.149	S	C	.	.	H	α-helix	trans	-60.1	-37.4	174.4	-178.4	175	175.9	174.6	0	112.2	E546 I556 F566 A743 L744	E546-K740 VanDerWaalsContact OE1-CB 3.25Å; E546-K740 WeakPolarHBondContact OE1-CB 3.41Å; E546-K740 PolarHBondContact OE1-N 2.75Å; E546-K740 WeakPolarHBondContact OE2-CB 3.43Å; I556-K740 HydrophobicContact CD1-CG 4.11Å; I556-K740 HydrophobicContact CG2-CD 4.27Å; I556-K740 HydrophobicContact CG2-CG 4.38Å; F566-K740 HydrophobicContact CD1-CB 4.07Å; F566-K740 HydrophobicContact CD1-CG 4.22Å; F566-K740 HydrophobicContact CE1-CB 3.65Å; F566-K740 HydrophobicContact CE1-CG 4.29Å; F566-K740 HydrophobicContact CZ-CB 4.09Å; F566-K740 VanDerWaalsContact CZ-N 3.32Å; K740-A743 PolarHBondContact O-N 2.88Å; K740-L744 WeakPolarHBondContact O-CG 3.36Å; K740-L744 PolarHBondContact O-N 3.18Å
741	E	96.3	Very high	98.1	Very high	163 Å²	163	28 Å²	28	76%	0.762	15%	0.151	S	C	*	.	H	α-helix	trans	-64.6	-45.3	174.2	-175.8	173.5	-164.2	0	0	111.3	T739 A743 L744 G745	T739-E741 VanDerWaalsContact C-N 3.27Å; T739-E741 PolarHBondContact O-N 2.69Å; E741-A743 VanDerWaalsContact C-N 3.33Å; E741-A743 PolarHBondContact O-N 3.35Å; E741-L744 PolarHBondContact O-N 3.36Å; E741-G745 PolarHBondContact O-N 2.65Å
742	S	96.1	Very high	98.1	Very high	47 Å²	47	31.7 Å²	31.7	33%	0.329	17%	0.171	S	C	.	.	H	α-helix	trans	-61.1	-40.6	174.8	-175.3	0	0	0	0	112	T739 G745 M746	T739-S742 WeakPolarHBondContact O-CB 3.35Å; T739-S742 PolarHBondContact O-N 3.42Å; T739-S742 WeakPolarHBondContact OG1-CB 3.49Å; T739-S742 PolarHBondContact OG1-N 2.64Å; T739-S742 VanDerWaalsContact OG1-N 3.13Å; S742-G745 PolarHBondContact O-N 2.79Å; S742-M746 WeakPolarHBondContact O-CB 3.43Å; S742-M746 WeakPolarHBondContact O-CG 3.23Å; S742-M746 PolarHBondContact O-N 2.87Å
743	A	97.9	Very high	98.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.8	-42.6	175.6	0	0	0	0	0	112.9	I556 F566 L734 I738 T739 K740 E741 M747	I556-A743 HydrophobicContact CD1-CB 4.22Å; F566-A743 HydrophobicContact CD2-CB 3.42Å; F566-A743 VanDerWaalsContact CD2-CB 3.42Å; F566-A743 HydrophobicContact CE2-CB 3.8Å; F566-A743 HydrophobicContact CG-CB 4.18Å; L734-A743 HydrophobicContact CB-CB 4.16Å; L734-A743 HydrophobicContact CD2-CB 3.91Å; I738-A743 HydrophobicContact CD1-CB 4.48Å; T739-A743 PolarHBondContact O-N 2.89Å; K740-A743 PolarHBondContact O-N 2.88Å; E741-A743 VanDerWaalsContact C-N 3.33Å; E741-A743 PolarHBondContact O-N 3.35Å; A743-M747 PolarHBondContact O-N 3.34Å; A743-M747 VanDerWaalsContact O-N 3.09Å
744	L	98.4	Very high	98.1	Very high	62 Å²	62	32.2 Å²	32.2	33%	0.325	17%	0.174	S	C	.	.	H	α-helix	trans	-64.8	-43.5	173.7	-70.8	172.4	0	0	0	111.7	I556 K557 K740 E741 M747 Q748	I556-L744 HydrophobicContact CD1-CD2 3.79Å; I556-L744 HydrophobicContact CD1-CG 3.93Å; I556-L744 HydrophobicContact CG1-CD2 4.16Å; K557-L744 HydrophobicContact CB-CD2 3.95Å; K557-L744 HydrophobicContact CD-CD2 4.49Å; K740-L744 WeakPolarHBondContact O-CG 3.36Å; K740-L744 PolarHBondContact O-N 3.18Å; E741-L744 PolarHBondContact O-N 3.36Å; L744-M747 PolarHBondContact O-N 3.36Å; L744-Q748 WeakPolarHBondContact O-CB 3.47Å; L744-Q748 PolarHBondContact O-N 3.43Å
745	G	98.3	Very high	98.1	Very high	43 Å²	43	35.9 Å²	35.9	44%	0.443	19%	0.193	S	C	.	.	H	α-helix	trans	-63.3	-42.5	178.3	0	0	0	0	0	113.1	E741 S742 Q748 M749	E741-G745 PolarHBondContact O-N 2.65Å; S742-G745 PolarHBondContact O-N 2.79Å; G745-Q748 PolarHBondContact O-N 2.94Å; G745-M749 WeakPolarHBondContact O-CB 3.41Å; G745-M749 PolarHBondContact O-N 2.96Å
746	M	98.4	Very high	98	Very high	14 Å²	14	42.4 Å²	42.4	7%	0.069	22%	0.224	C	C	.	.	H	α-helix	trans	-63.9	-44.9	174.3	-75.8	-171.9	-75.1	0	0	111.9	L579 H644 L647 L734 I738 S742 Q748 M749 V750	L579-M746 HydrophobicContact CD1-CE 4.37Å; L579-M746 HydrophobicContact CD1-SD 3.71Å; L579-M746 HydrophobicContact CD2-CE 4.05Å; L579-M746 HydrophobicContact CD2-SD 4.46Å; H644-M746 HydrophobicContact CB-CG 4.4Å; H644-M746 HydrophobicContact CB-SD 4.31Å; L647-M746 HydrophobicContact CD2-CB 4.48Å; L734-M746 HydrophobicContact CD2-CB 4.2Å; L734-M746 HydrophobicContact CD2-CE 4.06Å; I738-M746 HydrophobicContact CD1-CE 4.13Å; I738-M746 HydrophobicContact CG2-CE 3.99Å; S742-M746 WeakPolarHBondContact O-CB 3.43Å; S742-M746 WeakPolarHBondContact O-CG 3.23Å; S742-M746 PolarHBondContact O-N 2.87Å; M746-Q748 PolarHBondContact O-N 2.84Å; M746-M749 PolarHBondContact O-N 3.08Å; M746-V750 WeakPolarHBondContact O-CG2 3.5Å; M746-V750 PolarHBondContact O-N 2.88Å; M746-V750 VanDerWaalsContact O-N 3.12Å
747	M	98.6	Very high	98	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-42.9	176.1	-173.6	73.8	-128.8	0	0	111.7	V564 F581 I730 A732 A743 L744 M749 V750 E751	V564-M747 HydrophobicContact CG2-CB 4.2Å; V564-M747 HydrophobicContact CG2-CG 3.54Å; V564-M747 HydrophobicContact CG2-SD 3.94Å; F581-M747 HydrophobicContact CD1-SD 4.26Å; F581-M747 HydrophobicContact CE1-SD 4.04Å; I730-M747 HydrophobicContact CB-CE 4.03Å; I730-M747 HydrophobicContact CD1-CE 3.7Å; I730-M747 HydrophobicContact CG1-CE 4.45Å; I730-M747 HydrophobicContact CG2-CE 3.94Å; A732-M747 HydrophobicContact CB-SD 4Å; A743-M747 PolarHBondContact O-N 3.34Å; A743-M747 VanDerWaalsContact O-N 3.09Å; L744-M747 PolarHBondContact O-N 3.36Å; M747-M749 VanDerWaalsContact C-N 3.31Å; M747-M749 PolarHBondContact O-N 3.16Å; M747-V750 HydrophobicContact CE-CB 4.19Å; M747-V750 HydrophobicContact CE-CG1 4.19Å; M747-V750 WeakPolarHBondContact O-CB 3.21Å; M747-V750 PolarHBondContact O-N 3.5Å; M747-V750 VanDerWaalsContact O-N 3.13Å; M747-E751 HydrophobicContact CE-CG 3.83Å; M747-E751 VanDerWaalsContact CG-OE1 3.27Å; M747-E751 WeakPolarHBondContact CG-OE1 3.46Å; M747-E751 PolarHBondContact O-N 3.46Å
748	Q	98.5	Very high	97.9	Very high	73 Å²	73	46.4 Å²	46.4	34%	0.341	25%	0.245	S	C	.	.	H	α-helix	trans	-62.5	-39.7	178.8	-164.6	59.4	52.3	0	0	111.3	L744 G745 M746 V750 E751 D752	L744-Q748 WeakPolarHBondContact O-CB 3.47Å; L744-Q748 PolarHBondContact O-N 3.43Å; G745-Q748 PolarHBondContact O-N 2.94Å; M746-Q748 PolarHBondContact O-N 2.84Å; Q748-V750 VanDerWaalsContact C-N 3.34Å; Q748-V750 PolarHBondContact O-N 3.19Å; Q748-E751 PolarHBondContact O-N 3.06Å; Q748-D752 PolarHBondContact NE2-OD1 2.93Å; Q748-D752 WeakPolarHBondContact O-CB 3.41Å; Q748-D752 PolarHBondContact O-N 2.96Å
749	M	98.6	Very high	97.9	Very high	36 Å²	36	52.6 Å²	52.6	18%	0.177	27%	0.274	C	S	.	.	H	α-helix	trans	-60.8	-38.8	173.2	175.2	-82.4	-66.6	0	0	112.9	L647 K648 G745 M746 M747 T753	L647-M749 HydrophobicContact CB-CE 4.39Å; L647-M749 HydrophobicContact CD2-CE 3.95Å; L647-M749 HydrophobicContact CG-CE 3.96Å; K648-M749 HydrophobicContact CB-CE 3.86Å; K648-M749 HydrophobicContact CB-SD 3.58Å; K648-M749 VanDerWaalsContact CB-SD 3.58Å; K648-M749 HydrophobicContact CD-CG 4.23Å; K648-M749 HydrophobicContact CD-SD 4.25Å; K648-M749 HydrophobicContact CG-SD 3.87Å; G745-M749 WeakPolarHBondContact O-CB 3.41Å; G745-M749 PolarHBondContact O-N 2.96Å; M746-M749 PolarHBondContact O-N 3.08Å; M747-M749 VanDerWaalsContact C-N 3.31Å; M747-M749 PolarHBondContact O-N 3.16Å; M749-T753 WeakPolarHBondContact O-CB 3.48Å; M749-T753 PolarHBondContact O-N 3.03Å; M749-T753 VanDerWaalsContact O-N 3.11Å; M749-T753 PolarHBondContact O-OG1 2.92Å
750	V	98.7	Very high	98	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-44.9	174.1	175.6	0	0	0	0	110.9	F581 F583 L647 I651 I730 M746 M747 Q748 L754	F581-V750 HydrophobicContact CE1-CG2 4.23Å; F581-V750 HydrophobicContact CZ-CG2 4.39Å; F583-V750 HydrophobicContact CE1-CG1 3.98Å; F583-V750 HydrophobicContact CZ-CG1 4.22Å; L647-V750 HydrophobicContact CD1-CG2 4.33Å; L647-V750 HydrophobicContact CD2-CG2 4.04Å; L647-V750 HydrophobicContact CG-CG2 4.21Å; I651-V750 HydrophobicContact CD1-CG1 4.16Å; I651-V750 HydrophobicContact CG1-CG1 4.13Å; I651-V750 HydrophobicContact CG1-CG2 4.11Å; I651-V750 HydrophobicContact CG2-CG1 4.41Å; I730-V750 HydrophobicContact CD1-CG1 4.28Å; M746-V750 WeakPolarHBondContact O-CG2 3.5Å; M746-V750 PolarHBondContact O-N 2.88Å; M746-V750 VanDerWaalsContact O-N 3.12Å; M747-V750 HydrophobicContact CE-CB 4.19Å; M747-V750 HydrophobicContact CE-CG1 4.19Å; M747-V750 WeakPolarHBondContact O-CB 3.21Å; M747-V750 PolarHBondContact O-N 3.5Å; M747-V750 VanDerWaalsContact O-N 3.13Å; Q748-V750 VanDerWaalsContact C-N 3.34Å; Q748-V750 PolarHBondContact O-N 3.19Å; V750-L754 HydrophobicContact CG1-CD1 4.08Å; V750-L754 WeakPolarHBondContact O-CD1 3.47Å; V750-L754 WeakPolarHBondContact O-CG 3.28Å; V750-L754 PolarHBondContact O-N 3.35Å
751	E	98.7	Very high	98.1	Very high	12 Å²	12	53.4 Å²	53.4	6%	0.056	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-49.8	177.1	-76.5	166	-124.4	0	0	112.5	K557 M561 S562 M747 Q748 T753 L754 I755	K557-E751 IonicContact NZ-OE1 2.7Å; K557-E751 PolarHBondContact NZ-OE1 3.27Å; K557-E751 IonicContact NZ-OE2 2.95Å; K557-E751 PolarHBondContact NZ-OE2 2.99Å; M561-E751 HydrophobicContact CG-CG 4Å; S562-E751 WeakPolarHBondContact CB-OE1 3.35Å; S562-E751 PolarHBondContact OG-OE1 3.2Å; M747-E751 HydrophobicContact CE-CG 3.83Å; M747-E751 VanDerWaalsContact CG-OE1 3.27Å; M747-E751 WeakPolarHBondContact CG-OE1 3.46Å; M747-E751 PolarHBondContact O-N 3.46Å; Q748-E751 PolarHBondContact O-N 3.06Å; E751-T753 VanDerWaalsContact C-N 3.35Å; E751-T753 PolarHBondContact O-N 2.87Å; E751-L754 PolarHBondContact O-N 2.71Å; E751-I755 HydrophobicContact CB-CD1 4.43Å; E751-I755 WeakPolarHBondContact O-CB 3.34Å; E751-I755 WeakPolarHBondContact O-CD1 3.26Å; E751-I755 VanDerWaalsContact O-CG1 3.24Å; E751-I755 WeakPolarHBondContact O-CG1 3.24Å; E751-I755 PolarHBondContact O-N 2.66Å
752	D	98.6	Very high	98.2	Very high	81 Å²	81	48 Å²	48	43%	0.433	25%	0.254	S	S	.	.	H	α-helix	trans	-61.6	-43.4	-176.4	-66.7	-14	0	0	0	110.9	Q748 L754 I755 E756	Q748-D752 PolarHBondContact NE2-OD1 2.93Å; Q748-D752 WeakPolarHBondContact O-CB 3.41Å; Q748-D752 PolarHBondContact O-N 2.96Å; D752-L754 PolarHBondContact O-N 2.68Å; D752-I755 PolarHBondContact O-N 2.9Å; D752-E756 VanDerWaalsContact O-CB 3.32Å; D752-E756 WeakPolarHBondContact O-CB 3.26Å; D752-E756 PolarHBondContact O-N 3.17Å
753	T	98.5	Very high	98.3	Very high	9 Å²	9	46.1 Å²	46.1	6%	0.055	24%	0.24	C	C	.	.	H	α-helix	trans	-62.6	-40	177.9	-51.8	0	0	0	0	112	I651 E652 M749 E751 H757	I651-T753 HydrophobicContact CB-CG2 4.41Å; I651-T753 HydrophobicContact CG2-CG2 3.88Å; E652-T753 HydrophobicContact CB-CG2 4.49Å; E652-T753 HydrophobicContact CG-CG2 3.99Å; M749-T753 WeakPolarHBondContact O-CB 3.48Å; M749-T753 PolarHBondContact O-N 3.03Å; M749-T753 VanDerWaalsContact O-N 3.11Å; M749-T753 PolarHBondContact O-OG1 2.92Å; E751-T753 VanDerWaalsContact C-N 3.35Å; E751-T753 PolarHBondContact O-N 2.87Å; T753-H757 PolarHBondContact O-N 3.21Å; T753-H757 VanDerWaalsContact O-N 3.13Å
754	L	98.5	Very high	98.2	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-71.7	-36.9	176.6	-73.1	169.2	0	0	0	112.4	F583 I651 A655 L728 I730 V750 E751 D752 A758 H759 T760	F583-L754 HydrophobicContact CD1-CD1 4.41Å; F583-L754 HydrophobicContact CE1-CD1 3.97Å; I651-L754 HydrophobicContact CG2-CD1 4.43Å; I651-L754 HydrophobicContact CG2-CD2 4.14Å; I651-L754 HydrophobicContact CG2-CG 3.83Å; A655-L754 HydrophobicContact CB-CD2 4.31Å; L728-L754 HydrophobicContact CD1-CD1 4.25Å; I730-L754 HydrophobicContact CD1-CD1 3.98Å; V750-L754 HydrophobicContact CG1-CD1 4.08Å; V750-L754 WeakPolarHBondContact O-CD1 3.47Å; V750-L754 WeakPolarHBondContact O-CG 3.28Å; V750-L754 PolarHBondContact O-N 3.35Å; E751-L754 PolarHBondContact O-N 2.71Å; D752-L754 PolarHBondContact O-N 2.68Å; L754-A758 CarbonylContact O-C 3.41Å; L754-A758 WeakPolarHBondContact O-CA 3.4Å; L754-A758 WeakPolarHBondContact O-CB 3.35Å; L754-A758 PolarHBondContact O-N 3.35Å; L754-H759 PolarHBondContact O-N 3.04Å; L754-T760 PolarHBondContact O-N 2.93Å; L754-T760 PolarHBondContact O-OG1 3.12Å
755	I	98.4	Very high	98.1	Very high	77 Å²	77	52.8 Å²	52.8	40%	0.395	28%	0.281	S	S	.	.	H	α-helix	trans	-69.7	-41.6	176.1	-68.9	163.6	0	0	0	110.9	M561 E751 D752 H759	M561-I755 HydrophobicContact CE-CD1 4.26Å; M561-I755 HydrophobicContact CE-CG1 4.19Å; E751-I755 HydrophobicContact CB-CD1 4.43Å; E751-I755 WeakPolarHBondContact O-CB 3.34Å; E751-I755 WeakPolarHBondContact O-CD1 3.26Å; E751-I755 VanDerWaalsContact O-CG1 3.24Å; E751-I755 WeakPolarHBondContact O-CG1 3.24Å; E751-I755 PolarHBondContact O-N 2.66Å; D752-I755 PolarHBondContact O-N 2.9Å; I755-H759 VanDerWaalsContact O-CA 3.27Å; I755-H759 WeakPolarHBondContact O-CA 3.11Å; I755-H759 PolarHBondContact O-N 3.13Å; I755-H759 PolarHBondContact O-ND1 3.3Å
756	E	98.1	Very high	97.9	Very high	136 Å²	136	55.1 Å²	55.1	64%	0.636	29%	0.291	S	S	*	.	H	α-helix	trans	-65.5	-52.4	179.8	-170.5	179.7	149	0	0	111.5	D752 H759	D752-E756 VanDerWaalsContact O-CB 3.32Å; D752-E756 WeakPolarHBondContact O-CB 3.26Å; D752-E756 PolarHBondContact O-N 3.17Å; E756-H759 PolarHBondContact O-CE1 2.97Å; E756-H759 PolarHBondContact O-ND1 3.32Å
757	H	97.7	Very high	97.7	Very high	71 Å²	71	57.5 Å²	57.5	33%	0.329	30%	0.302	S	S	.	.	H	α-helix	trans	-96.5	-37.6	-168.7	-59.4	-28.9	0	0	0	114.4	A655 T656 T753	A655-H757 HydrophobicContact CB-CB 3.64Å; T656-H757 HydrophobicContact CG2-CB 3.8Å; T753-H757 PolarHBondContact O-N 3.21Å; T753-H757 VanDerWaalsContact O-N 3.13Å
758	A	96.9	Very high	97.5	Very high	19 Å²	19	60.1 Å²	60.1	16%	0.157	32%	0.315	C	S	.	.	S	Bend	trans	-103.7	-1.6	-179.8	0	0	0	0	0	113.7	A655 L725 L754 T760	A655-A758 HydrophobicContact CB-CB 4.17Å; L725-A758 HydrophobicContact CB-CB 3.83Å; L725-A758 HydrophobicContact CD1-CB 4.12Å; L754-A758 CarbonylContact O-C 3.41Å; L754-A758 WeakPolarHBondContact O-CA 3.4Å; L754-A758 WeakPolarHBondContact O-CB 3.35Å; L754-A758 PolarHBondContact O-N 3.35Å; A758-T760 PolarHBondContact O-N 2.81Å; A758-T760 VanDerWaalsContact O-N 3.14Å
759	H	97.9	Very high	97.3	Very high	134 Å²	134	62.2 Å²	62.2	62%	0.62	33%	0.328	S	S	*	.			trans	54.6	29.7	-178.9	-54.2	-26.4	0	0	0	114	L754 I755 E756 K761	L754-H759 PolarHBondContact O-N 3.04Å; I755-H759 VanDerWaalsContact O-CA 3.27Å; I755-H759 WeakPolarHBondContact O-CA 3.11Å; I755-H759 PolarHBondContact O-N 3.13Å; I755-H759 PolarHBondContact O-ND1 3.3Å; E756-H759 PolarHBondContact O-CE1 2.97Å; E756-H759 PolarHBondContact O-ND1 3.32Å; H759-K761 PolarHBondContact O-N 3.37Å
760	T	98.5	Very high	97.1	Very high	6 Å²	6	62 Å²	62	4%	0.037	33%	0.325	C	S	.	.			trans	-55.4	133.2	-174	-59.2	0	0	0	0	112.1	M561 L725 S726 L728 L754 A758	M561-T760 HydrophobicContact CE-CG2 3.94Å; M561-T760 WeakPolarHBondContact CE-O 3.39Å; M561-T760 HydrophobicContact SD-CG2 4Å; L725-T760 WeakPolarHBondContact O-CB 3.21Å; L725-T760 WeakPolarHBondContact O-CG2 3.47Å; L725-T760 PolarHBondContact O-OG1 2.88Å; S726-T760 WeakPolarHBondContact O-CA 3.4Å; L728-T760 HydrophobicContact CB-CG2 3.77Å; L728-T760 HydrophobicContact CD1-CG2 3.94Å; L728-T760 HydrophobicContact CG-CG2 3.83Å; L754-T760 PolarHBondContact O-N 2.93Å; L754-T760 PolarHBondContact O-OG1 3.12Å; A758-T760 PolarHBondContact O-N 2.81Å; A758-T760 VanDerWaalsContact O-N 3.14Å
761	K	98.4	Very high	96.8	Very high	137 Å²	137	64 Å²	64	60%	0.596	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	154	175.2	-70.3	170	-170.5	171.2	0	110.4	S726 R727 L728 H759	S726-K761 PolarHBondContact O-N 3.36Å; R727-K761 CarbonylContact C-O 3.58Å; R727-K761 WeakPolarHBondContact CA-O 3.17Å; R727-K761 HydrophobicContact CG-CB 4.49Å; L728-K761 PolarHBondContact N-O 3.15Å; L728-K761 VanDerWaalsContact N-O 3.07Å; H759-K761 PolarHBondContact O-N 3.37Å
762	P	98.3	Very high	96.5	Very high	49 Å²	49	67.7 Å²	67.7	32%	0.318	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	144.2	177.5	25.8	-35.3	0	0	0	112	A560 M561 R727 L728	A560-P762 VanDerWaalsContact C-CB 3.48Å; A560-P762 HydrophobicContact CB-CB 3.6Å; A560-P762 HydrophobicContact CB-CG 4.07Å; A560-P762 WeakPolarHBondContact O-CB 3.27Å; M561-P762 HydrophobicContact CB-CB 4.49Å; R727-P762 PolarHBondContact NE-O 3.43Å; R727-P762 PolarHBondContact NH2-O 3.24Å; L728-P762 CarbonylContact O-C 3.38Å; L728-P762 WeakPolarHBondContact O-CA 3.16Å
763	L	97.5	Very high	96.2	Very high	8 Å²	8	63.9 Å²	63.9	4%	0.042	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-66.1	160	162.3	-74.8	173.3	0	0	0	111.2	F584 P586 R727 L728 H729 Q767 L768	F584-L763 HydrophobicContact CB-CD1 4.1Å; F584-L763 VanDerWaalsContact O-CD1 3.31Å; F584-L763 WeakPolarHBondContact O-CD1 3.38Å; P586-L763 HydrophobicContact CG-CD2 4.46Å; R727-L763 HydrophobicContact CB-CD2 3.85Å; R727-L763 HydrophobicContact CB-CG 4.44Å; L728-L763 PolarHBondContact O-N 3.17Å; H729-L763 HydrophobicContact CB-CB 4.4Å; H729-L763 HydrophobicContact CB-CD1 4.27Å; L763-Q767 HydrophobicContact CD2-CB 4.38Å; L763-L768 HydrophobicContact CB-CD2 4.37Å; L763-L768 HydrophobicContact CD1-CD2 3.89Å
764	L	97	Very high	95.8	Very high	91 Å²	91	63.8 Å²	63.8	48%	0.476	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-78.9	144.5	167.1	-58.8	174.5	0	0	0	109.7	S766 Q767	L764-S766 PolarHBondContact O-N 3.37Å; L764-Q767 HydrophobicContact CB-CG 4.15Å; L764-Q767 WeakPolarHBondContact O-CB 3.28Å; L764-Q767 PolarHBondContact O-N 2.77Å
765	P	95.6	Very high	95.5	Very high	110 Å²	110	67.5 Å²	67.5	71%	0.714	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-55.9	-27.4	176.4	-28.3	35.9	0	0	0	114.4	Q767 L768	P765-Q767 VanDerWaalsContact C-N 3.26Å; P765-Q767 PolarHBondContact O-N 2.81Å; P765-L768 PolarHBondContact O-N 2.92Å
766	S	94.6	Very high	95.2	Very high	92 Å²	92	63.9 Å²	63.9	64%	0.643	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-72	-12.6	174.5	51.8	0	0	0	0	114.7	L764	L764-S766 PolarHBondContact O-N 3.37Å
767	Q	94.5	Very high	94.8	Very high	64 Å²	64	59.6 Å²	59.6	30%	0.299	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-91.5	-10.2	175.4	-61.7	177.1	-91.4	0	0	112.6	L763 L764 P765 I769	L763-Q767 HydrophobicContact CD2-CB 4.38Å; L764-Q767 HydrophobicContact CB-CG 4.15Å; L764-Q767 WeakPolarHBondContact O-CB 3.28Å; L764-Q767 PolarHBondContact O-N 2.77Å; P765-Q767 VanDerWaalsContact C-N 3.26Å; P765-Q767 PolarHBondContact O-N 2.81Å; Q767-I769 PolarHBondContact O-N 3.17Å
768	L	94.8	Very high	94.5	Very high	55 Å²	55	61.3 Å²	61.3	29%	0.288	32%	0.319	S	S	.	.			trans	-81.8	53.3	179	-56.6	179.7	0	0	0	111.3	F584 H729 L763 P765	F584-L768 HydrophobicContact CB-CD2 4.01Å; F584-L768 HydrophobicContact CG-CD2 4.24Å; H729-L768 HydrophobicContact CB-CD1 4.42Å; H729-L768 HydrophobicContact CB-CD2 3.75Å; L763-L768 HydrophobicContact CB-CD2 4.37Å; L763-L768 HydrophobicContact CD1-CD2 3.89Å; P765-L768 PolarHBondContact O-N 2.92Å
769	I	93.5	Very high	94.2	Very high	117 Å²	117	62.9 Å²	62.9	60%	0.6	34%	0.337	S	S	*	.			trans	-77.1	137.2	-178.5	-58.2	172.9	0	0	0	109	Q767	Q767-I769 PolarHBondContact O-N 3.17Å
770	R	93.6	Very high	93.7	Very high	31 Å²	31	57 Å²	57	12%	0.117	31%	0.313	C	S	.	.			trans	-108.4	144.6	170.5	-62.8	-59.7	-166	143.6	10.1	109.6	F584 Y630 I917 L1009	F584-R770 VanDerWaalsContact CZ-NH2 3.31Å; Y630-R770 HydrophobicContact CE1-CB 4.44Å; Y630-R770 VanDerWaalsContact CE2-NH1 3.26Å; R770-I917 PolarHBondContact NH2-O 2.71Å; R770-L1009 HydrophobicContact CB-CD1 4.17Å; R770-L1009 HydrophobicContact CB-CD2 4.12Å
771	Y	92.7	Very high	93.3	Very high	42 Å²	42	57.3 Å²	57.3	17%	0.165	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-71.4	145.2	176	-63.2	-56.5	0	0	0	111.2	Y589 V629 Y630 E697 V698 N846	Y589-Y771 HydrophobicContact CD1-CE2 4.15Å; V629-Y771 HydrophobicContact CB-CD2 4.44Å; V629-Y771 HydrophobicContact CB-CE2 4.04Å; V629-Y771 HydrophobicContact CG2-CD2 4.02Å; V629-Y771 HydrophobicContact CG2-CE2 4.06Å; V629-Y771 WeakPolarHBondContact O-CE2 3.43Å; Y630-Y771 HydrophobicContact CD1-CD2 4.42Å; Y630-Y771 HydrophobicContact CD1-CE2 4.35Å; Y630-Y771 AromaticContact CE1-CD2 3.56Å; Y630-Y771 HydrophobicContact CE1-CD2 3.56Å; Y630-Y771 AromaticContact CE1-CE2 3.9Å; Y630-Y771 HydrophobicContact CE1-CE2 3.9Å; Y630-Y771 HydrophobicContact CE1-CG 4.24Å; Y630-Y771 AromaticContact CZ-CD2 3.84Å; Y630-Y771 PolarHBondContact OH-N 2.75Å; E697-Y771 HydrophobicContact CB-CD1 4.39Å; E697-Y771 WeakPolarHBondContact OE2-CA 3.37Å; V698-Y771 HydrophobicContact CB-CD1 3.99Å; V698-Y771 HydrophobicContact CB-CE1 3.56Å; V698-Y771 HydrophobicContact CG2-CD1 4Å; V698-Y771 HydrophobicContact CG2-CE1 3.55Å; Y771-N846 WeakPolarHBondContact O-CB 3.27Å
772	R	92.6	Very high	92.8	Very high	90 Å²	90	52.9 Å²	52.9	34%	0.34	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-95.4	171.8	178.6	-60.5	153.7	-174.5	-105.9	6.8	111.1	E697 N846 I1006 F1007 L1009	E697-R772 HydrophobicContact CB-CB 4.37Å; E697-R772 PolarHBondContact N-O 2.77Å; E697-R772 IonicContact OE1-NE 2.74Å; E697-R772 WeakPolarHBondContact OE2-CB 3.31Å; E697-R772 WeakPolarHBondContact OE2-CD 3.32Å; E697-R772 WeakPolarHBondContact OE2-CG 3.3Å; E697-R772 PolarHBondContact OE2-N 2.87Å; R772-N846 PolarHBondContact O-ND2 2.82Å; R772-I1006 HydrophobicContact CB-CG2 3.34Å; R772-I1006 VanDerWaalsContact CD-CG2 3.5Å; R772-I1006 HydrophobicContact CG-CG2 4.06Å; R772-F1007 WeakPolarHBondContact CD-O 3.22Å; R772-F1007 WeakPolarHBondContact CG-O 3.39Å; R772-F1007 PolarHBondContact NH1-O 3.47Å; R772-L1009 HydrophobicContact CG-CD2 3.75Å; R772-L1009 HydrophobicContact CG-CG 3.96Å
773	E	92.4	Very high	92.4	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-102	145	166	173.7	147.8	124.7	0	0	110.9	M695 Y799 Q801 R843 N846 V848 F1007	M695-E773 HydrophobicContact CB-CG 4.28Å; M695-E773 HydrophobicContact CE-CG 4.06Å; M695-E773 CarbonylContact O-C 3.58Å; M695-E773 WeakPolarHBondContact O-CA 3.29Å; M695-E773 WeakPolarHBondContact O-CG 3.25Å; E773-Y799 PolarHBondContact OE1-OH 3.11Å; E773-Q801 PolarHBondContact OE1-NE2 2.89Å; E773-R843 IonicContact OE1-CZ 3.27Å; E773-R843 IonicContact OE1-NH1 3.71Å; E773-R843 PolarHBondContact OE1-NH1 3.22Å; E773-R843 IonicContact OE2-CZ 3.48Å; E773-R843 IonicContact OE2-NH1 2.75Å; E773-R843 PolarHBondContact OE2-NH1 2.77Å; E773-R843 IonicContact OE2-NH2 3.48Å; E773-R843 PolarHBondContact OE2-NH2 3.22Å; E773-N846 HydrophobicContact CB-CB 4.1Å; E773-V848 HydrophobicContact CB-CB 4Å; E773-V848 HydrophobicContact CB-CG2 3.95Å; E773-V848 HydrophobicContact CG-CB 4.19Å; E773-V848 HydrophobicContact CG-CG1 4.23Å; E773-V848 HydrophobicContact CG-CG2 4.49Å; E773-V848 WeakPolarHBondContact OE1-CG1 3.31Å; E773-F1007 PolarHBondContact O-N 2.71Å
774	V	90.3	Very high	91.9	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.042	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-58.5	136.3	171.7	165.4	0	0	0	0	110.5	L694 M695 Q801 M1003 F1005	L694-V774 WeakPolarHBondContact O-CG2 3.45Å; M695-V774 HydrophobicContact CE-CB 3.84Å; M695-V774 HydrophobicContact CE-CG1 4.09Å; M695-V774 VanDerWaalsContact CE-O 3.31Å; M695-V774 WeakPolarHBondContact CE-O 3.18Å; M695-V774 PolarHBondContact O-N 3.38Å; M695-V774 HydrophobicContact SD-CB 4.44Å; V774-Q801 PolarHBondContact O-NE2 2.92Å; V774-Q801 PolarHBondContact O-OE1 2.85Å; V774-M1003 HydrophobicContact CG1-CB 3.86Å; V774-M1003 HydrophobicContact CG1-SD 4.42Å; V774-F1005 CarbonylContact C-O 3.58Å; V774-F1005 WeakPolarHBondContact CA-O 2.91Å; V774-F1005 WeakPolarHBondContact CG1-O 3.48Å
775	Q	92.6	Very high	91.5	Very high	81 Å²	81	49.2 Å²	49.2	38%	0.379	27%	0.269	S	S	.	.			trans	-94.6	110.5	173.6	-177.5	169.4	2.2	0	0	110.4	F1005 F1007	Q775-F1005 HydrophobicContact CB-CB 4.43Å; Q775-F1005 PolarHBondContact N-O 2.9Å; Q775-F1005 VanDerWaalsContact O-CB 3.28Å; Q775-F1005 WeakPolarHBondContact O-CB 3.24Å; Q775-F1007 HydrophobicContact CB-CD2 3.59Å; Q775-F1007 HydrophobicContact CB-CE2 3.65Å; Q775-F1007 HydrophobicContact CB-CG 4.05Å; Q775-F1007 HydrophobicContact CB-CZ 4.16Å; Q775-F1007 HydrophobicContact CG-CD1 4.46Å; Q775-F1007 HydrophobicContact CG-CD2 4.1Å; Q775-F1007 HydrophobicContact CG-CE1 4.11Å; Q775-F1007 HydrophobicContact CG-CE2 3.73Å; Q775-F1007 HydrophobicContact CG-CG 4.46Å; Q775-F1007 HydrophobicContact CG-CZ 3.72Å
776	V	91.3	Very high	91.3	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-73.3	133.6	173.1	179.8	0	0	0	0	109	M695 Y782 H957 V959	M695-V776 HydrophobicContact CE-CG2 3.92Å; V776-Y782 HydrophobicContact CG1-CD2 4.21Å; V776-Y782 HydrophobicContact CG1-CE2 4.05Å; V776-H957 HydrophobicContact CB-CB 3.87Å; V776-H957 HydrophobicContact CG1-CB 3.87Å; V776-H957 PolarHBondContact O-CD2 3.25Å; V776-H957 VanDerWaalsContact O-CD2 3.31Å; V776-V959 HydrophobicContact CG2-CG2 3.57Å
777	P	90.3	Very high	91.3	Very high	45 Å²	45	47.2 Å²	47.2	29%	0.292	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-66.1	150.9	177.6	-24.4	35.2	0	0	0	114.3	G779 G780 H957 F1005	P777-G779 PolarHBondContact O-N 3.2Å; P777-G780 WeakPolarHBondContact O-CA 3.46Å; P777-G780 PolarHBondContact O-N 2.89Å; P777-H957 PolarHBondContact O-CD2 3.42Å; P777-F1005 HydrophobicContact CG-CD2 4.14Å; P777-F1005 HydrophobicContact CG-CE2 4.24Å
778	D	92	Very high	91.3	Very high	107 Å²	107	44.2 Å²	44.2	57%	0.572	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.1	124.3	171.5	-80.3	-20.4	0	0	0	111.5	G780 A954 K955 H957	D778-G780 PolarHBondContact O-N 2.88Å; D778-A954 WeakPolarHBondContact CB-O 3.32Å; D778-K955 WeakPolarHBondContact OD1-CG 3.47Å; D778-H957 IonicContact OD1-NE2 3.55Å; D778-H957 PolarHBondContact OD1-NE2 2.89Å
779	G	89.1	Confident	91.3	Very high	52 Å²	52	46.8 Å²	46.8	54%	0.536	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	3	-177.6	0	0	0	0	0	114.9	P777 A954 R956	P777-G779 PolarHBondContact O-N 3.2Å; G779-A954 PolarHBondContact N-O 3.27Å; G779-R956 CarbonylContact C-O 3.52Å; G779-R956 WeakPolarHBondContact CA-O 3.29Å; G779-R956 PolarHBondContact N-O 2.89Å
780	G	88	Confident	91.4	Very high	11 Å²	11	42.1 Å²	42.1	11%	0.113	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	132.7	-176.3	0	0	0	0	0	113.5	P777 D778 R956 K958	P777-G780 WeakPolarHBondContact O-CA 3.46Å; P777-G780 PolarHBondContact O-N 2.89Å; D778-G780 PolarHBondContact O-N 2.88Å; G780-R956 PolarHBondContact N-O 3.11Å; G780-K958 PolarHBondContact O-N 3Å
781	W	90.5	Very high	91.5	Very high	12 Å²	12	41 Å²	41	5%	0.045	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.2	166.9	-177	22.7	0	0	0	111.4	E865 K958 S960 V974 L991 P992 V994 N995	W781-E865 VanDerWaalsContact CZ2-OE1 3.31Å; W781-E865 WeakPolarHBondContact CZ2-OE1 3.33Å; W781-K958 VanDerWaalsContact CA-O 3.3Å; W781-K958 WeakPolarHBondContact CA-O 3.29Å; W781-K958 HydrophobicContact CB-CB 4.18Å; W781-K958 VanDerWaalsContact CD1-CG 3.49Å; W781-K958 HydrophobicContact CD2-CD 4.1Å; W781-K958 HydrophobicContact CG-CB 4.06Å; W781-K958 HydrophobicContact CG-CD 3.91Å; W781-K958 HydrophobicContact CG-CG 4.18Å; W781-S960 PolarHBondContact NE1-OG 2.93Å; W781-V974 HydrophobicContact CH2-CB 3.64Å; W781-V974 HydrophobicContact CH2-CG1 3.65Å; W781-V974 HydrophobicContact CH2-CG2 4.27Å; W781-V974 HydrophobicContact CZ2-CB 4.13Å; W781-V974 HydrophobicContact CZ2-CG1 4.13Å; W781-V974 HydrophobicContact CZ2-CG2 4.25Å; W781-L991 HydrophobicContact CH2-CB 4.19Å; W781-L991 HydrophobicContact CH2-CD1 4.09Å; W781-L991 HydrophobicContact CZ3-CB 3.93Å; W781-P992 HydrophobicContact CE3-CG 4.07Å; W781-P992 HydrophobicContact CZ3-CG 4.45Å; W781-P992 WeakPolarHBondContact CZ3-O 3.49Å; W781-V994 HydrophobicContact CB-CG2 4.42Å; W781-V994 HydrophobicContact CD2-CB 3.89Å; W781-V994 HydrophobicContact CD2-CG2 3.5Å; W781-V994 VanDerWaalsContact CD2-CG2 3.5Å; W781-V994 HydrophobicContact CE3-CB 3.65Å; W781-V994 HydrophobicContact CE3-CG2 3.84Å; W781-V994 HydrophobicContact CG-CB 4.47Å; W781-V994 HydrophobicContact CG-CG2 3.74Å; W781-V994 HydrophobicContact CH2-CB 4.46Å; W781-V994 HydrophobicContact CZ2-CG2 4.32Å; W781-V994 HydrophobicContact CZ3-CB 3.96Å; W781-V994 HydrophobicContact CZ3-CG2 4.39Å; W781-N995 PolarHBondContact O-N 3.45Å; W781-N995 VanDerWaalsContact O-N 3.12Å
782	Y	88.7	Confident	91.5	Very high	45 Å²	45	41.5 Å²	41.5	18%	0.176	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.5	179.5	-59	-92.7	0	0	0	110.5	V776 K958 V959 S960 N995 M1003	V776-Y782 HydrophobicContact CG1-CD2 4.21Å; V776-Y782 HydrophobicContact CG1-CE2 4.05Å; Y782-K958 PolarHBondContact N-O 3.48Å; Y782-V959 WeakPolarHBondContact O-CA 3.25Å; Y782-S960 PolarHBondContact O-N 3.02Å; Y782-N995 WeakPolarHBondContact CA-O 3.14Å; Y782-N995 HydrophobicContact CD1-CB 3.72Å; Y782-N995 HydrophobicContact CE1-CB 3.98Å; Y782-M1003 VanDerWaalsContact CB-CE 3.48Å; Y782-M1003 HydrophobicContact CD1-CE 4.04Å; Y782-M1003 HydrophobicContact CD1-SD 4.38Å; Y782-M1003 HydrophobicContact CD2-CE 4.36Å; Y782-M1003 HydrophobicContact CD2-SD 4.33Å; Y782-M1003 HydrophobicContact CG-CE 3.7Å; Y782-M1003 HydrophobicContact CG-SD 4.14Å
783	V	88.4	Confident	91.5	Very high	2 Å²	2	38 Å²	38	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.4	171	167.2	0	0	0	0	108.9	S960 V994 N995 T996 T997	V783-S960 WeakPolarHBondContact CA-O 3.4Å; V783-V994 HydrophobicContact CB-CG2 4.12Å; V783-V994 HydrophobicContact CG2-CG2 3.57Å; V783-N995 PolarHBondContact N-O 3.38Å; V783-N995 VanDerWaalsContact N-O 3.1Å; V783-T996 HydrophobicContact CB-CG2 4.44Å; V783-T996 HydrophobicContact CG1-CG2 4.24Å; V783-T997 PolarHBondContact O-N 3.25Å; V783-T997 PolarHBondContact O-OG1 3.2Å
784	Y	88.1	Confident	91.7	Very high	17 Å²	17	38 Å²	38	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.1	164.8	176.9	-96.6	0	0	0	108.7	Y690 L694 Q786 S960 V961 H962 G999	Y690-Y784 AromaticContact CD1-CE1 3.63Å; Y690-Y784 HydrophobicContact CD1-CE1 3.63Å; Y690-Y784 HydrophobicContact CD2-CE1 4.16Å; Y690-Y784 HydrophobicContact CE1-CE1 4.2Å; Y690-Y784 HydrophobicContact CG-CD1 4.29Å; Y690-Y784 AromaticContact CG-CE1 3.63Å; Y690-Y784 HydrophobicContact CG-CE1 3.63Å; L694-Y784 HydrophobicContact CD1-CD1 4.01Å; L694-Y784 HydrophobicContact CD1-CD2 4.43Å; L694-Y784 HydrophobicContact CD1-CG 3.75Å; L694-Y784 HydrophobicContact CD2-CD2 4.07Å; L694-Y784 HydrophobicContact CD2-CG 4.21Å; L694-Y784 HydrophobicContact CG-CG 4.48Å; Y784-Q786 HydrophobicContact CD1-CG 4.43Å; Y784-Q786 HydrophobicContact CE1-CB 4.46Å; Y784-Q786 HydrophobicContact CE1-CG 3.47Å; Y784-Q786 VanDerWaalsContact CE1-CG 3.47Å; Y784-Q786 PolarHBondContact OH-NE2 3.48Å; Y784-S960 PolarHBondContact N-O 2.81Å; Y784-V961 HydrophobicContact CD1-CG1 4.33Å; Y784-V961 WeakPolarHBondContact O-CA 3.42Å; Y784-H962 PolarHBondContact O-N 2.97Å; Y784-G999 WeakPolarHBondContact CE2-O 3.34Å
785	Q	88.8	Confident	92	Very high	52 Å²	52	37.6 Å²	37.6	24%	0.243	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.4	-173.8	-171.9	170.2	-76.9	0	0	112.7	H962 L964	Q785-H962 WeakPolarHBondContact CA-O 3.37Å; Q785-H962 HydrophobicContact CB-CB 4.24Å; Q785-H962 HydrophobicContact CG-CB 3.98Å; Q785-L964 HydrophobicContact CG-CD1 4.34Å; Q785-L964 HydrophobicContact CG-CD2 4.24Å; Q785-L964 HydrophobicContact CG-CG 4.13Å
786	Q	90.4	Very high	92.2	Very high	68 Å²	68	33.8 Å²	33.8	32%	0.318	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	172.1	174.9	-79.4	-70.4	13	0	0	110.9	Y690 Y784 H962 V963 L964	Y690-Q786 HydrophobicContact CD2-CB 4.47Å; Y690-Q786 HydrophobicContact CD2-CG 4.43Å; Y690-Q786 HydrophobicContact CE1-CG 4.13Å; Y690-Q786 HydrophobicContact CE2-CB 3.83Å; Y690-Q786 HydrophobicContact CE2-CG 3.89Å; Y784-Q786 HydrophobicContact CD1-CG 4.43Å; Y784-Q786 HydrophobicContact CE1-CB 4.46Å; Y784-Q786 HydrophobicContact CE1-CG 3.47Å; Y784-Q786 VanDerWaalsContact CE1-CG 3.47Å; Y784-Q786 PolarHBondContact OH-NE2 3.48Å; Q786-H962 PolarHBondContact N-O 3.32Å; Q786-V963 CarbonylContact O-C 3.52Å; Q786-V963 WeakPolarHBondContact O-CA 3.29Å; Q786-L964 PolarHBondContact O-N 2.9Å
787	R	93.9	Very high	92.6	Very high	92 Å²	92	33.9 Å²	33.9	35%	0.347	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.1	173.4	-164.5	-172	-60.2	-153.2	8.6	110.1	L964 S965 R966 D969	R787-L964 HydrophobicContact CB-CB 4.45Å; R787-L964 HydrophobicContact CG-CB 4.17Å; R787-S965 WeakPolarHBondContact CG-O 3.41Å; R787-R966 WeakPolarHBondContact CD-O 3.42Å; R787-R966 PolarHBondContact NH1-O 2.76Å; R787-R966 VanDerWaalsContact NH1-O 3.09Å; R787-D969 IonicContact CZ-OD1 3.26Å; R787-D969 VanDerWaalsContact CZ-OD1 3.27Å; R787-D969 IonicContact NH1-OD1 2.61Å; R787-D969 PolarHBondContact NH1-OD1 2.92Å; R787-D969 PolarHBondContact NH2-O 3.06Å; R787-D969 IonicContact NH2-OD1 3.41Å; R787-D969 PolarHBondContact NH2-OD1 3.36Å
788	N	95.5	Very high	92.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.			trans	-88.7	122.3	164.3	-172.3	-65.9	0	0	0	108.5	E681 P683 H686 V790 H791 V963 L964 R966	E681-N788 PolarHBondContact O-ND2 2.67Å; P683-N788 HydrophobicContact CG-CB 4.28Å; H686-N788 PolarHBondContact CE1-ND2 3.41Å; H686-N788 PolarHBondContact ND1-ND2 3.23Å; N788-V790 VanDerWaalsContact C-N 3.3Å; N788-V790 PolarHBondContact O-N 3.27Å; N788-V790 PolarHBondContact OD1-N 2.91Å; N788-H791 PolarHBondContact OD1-CD2 3.1Å; N788-H791 PolarHBondContact OD1-N 3.03Å; N788-V963 HydrophobicContact CB-CG1 3.78Å; N788-L964 PolarHBondContact N-O 3.48Å; N788-R966 WeakPolarHBondContact O-CA 3.49Å; N788-R966 PolarHBondContact O-N 3.45Å; N788-R966 VanDerWaalsContact O-N 3.12Å
789	E	95.3	Very high	93.3	Very high	110 Å²	110	26.7 Å²	26.7	51%	0.514	14%	0.138	S	C	.	.	S	Bend	trans	-80.3	-10.2	-173.9	-58.7	-177.7	144.8	0	0	114.1	R679 R966	R679-E789 IonicContact CZ-OE2 2.65Å; R679-E789 IonicContact NE-OE2 3.62Å; R679-E789 PolarHBondContact NE-OE2 2.92Å; R679-E789 IonicContact NH2-OE2 3.61Å; R679-E789 PolarHBondContact NH2-OE2 3.37Å; E789-R966 VanDerWaalsContact O-CD 3.28Å; E789-R966 WeakPolarHBondContact O-CD 3.44Å; E789-R966 WeakPolarHBondContact O-CG 3.33Å
790	V	95.6	Very high	93.7	Very high	19 Å²	19	24.3 Å²	24.3	12%	0.115	11%	0.113	C	C	.	.	S	Bend	trans	-109.6	-55.9	-167.6	172.4	0	0	0	0	110.8	M200 I312 R679 A680 N788 R966	M200-V790 HydrophobicContact CB-CG1 3.98Å; M200-V790 HydrophobicContact CG-CG1 4.26Å; I312-V790 HydrophobicContact CG2-CG1 3.43Å; I312-V790 VanDerWaalsContact CG2-CG1 3.43Å; R679-V790 HydrophobicContact CG-CG2 4.5Å; A680-V790 HydrophobicContact CB-CG1 4.29Å; A680-V790 HydrophobicContact CB-CG2 4.03Å; N788-V790 VanDerWaalsContact C-N 3.3Å; N788-V790 PolarHBondContact O-N 3.27Å; N788-V790 PolarHBondContact OD1-N 2.91Å; V790-R966 PolarHBondContact O-NH1 3.26Å
791	H	94.6	Very high	94.2	Very high	6 Å²	6	23.8 Å²	23.8	3%	0.028	11%	0.108	C	C	.	.			trans	-83.7	136.1	-174.8	-63.3	-92	0	0	0	111	A680 E681 Q682 P683 N788 H793 R966	A680-H791 PolarHBondContact O-NE2 3.09Å; E681-H791 PolarHBondContact O-CD2 3.31Å; E681-H791 PolarHBondContact O-NE2 3.16Å; Q682-H791 PolarHBondContact NE2-CE1 2.9Å; P683-H791 HydrophobicContact CG-CB 3.84Å; N788-H791 PolarHBondContact OD1-CD2 3.1Å; N788-H791 PolarHBondContact OD1-N 3.03Å; H791-H793 PolarHBondContact O-N 3.42Å; H791-R966 PolarHBondContact O-N 3.49Å; H791-R966 VanDerWaalsContact O-N 3.09Å
792	N	94.1	Very high	94.5	Very high	53 Å²	53	23.4 Å²	23.4	28%	0.283	11%	0.106	S	C	.	.	S	Bend	trans	-85.1	19.3	176	-145.3	23.1	0	0	0	113.9	S965 E967	N792-S965 WeakPolarHBondContact O-CB 3.46Å; N792-E967 PolarHBondContact ND2-OE2 3.35Å; N792-E967 WeakPolarHBondContact OD1-CB 3.3Å; N792-E967 PolarHBondContact OD1-N 3.26Å
793	H	92	Very high	94.8	Very high	17 Å²	17	23.5 Å²	23.5	8%	0.079	11%	0.11	C	C	.	.	S	Bend	trans	-110	147.3	177	-85.9	58.7	0	0	0	111	E196 P683 H791 Q856 S857 S965	E196-H793 VanDerWaalsContact CB-CE1 3.4Å; E196-H793 WeakPolarHBondContact CB-CE1 3.39Å; E196-H793 IonicContact OE2-CE1 2.86Å; E196-H793 PolarHBondContact OE2-CE1 3.16Å; E196-H793 IonicContact OE2-ND1 3.53Å; E196-H793 PolarHBondContact OE2-ND1 2.78Å; P683-H793 HydrophobicContact CG-CB 4.34Å; P683-H793 WeakPolarHBondContact CG-O 3.46Å; H791-H793 PolarHBondContact O-N 3.42Å; H793-Q856 HydrophobicContact CB-CG 4.17Å; H793-S857 CarbonylContact C-O 3.58Å; H793-S965 WeakPolarHBondContact O-CA 3.5Å
794	C	95.6	Very high	95.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	152.7	169.5	-63.1	0	0	0	0	110.8	Q856 S857 K859 P861 V963 S965 M968	C794-Q856 WeakPolarHBondContact O-CA 3.49Å; C794-Q856 WeakPolarHBondContact O-CG 3.22Å; C794-S857 PolarHBondContact N-O 3.25Å; C794-S857 PolarHBondContact O-N 2.97Å; C794-K859 WeakPolarHBondContact CB-O 3.38Å; C794-P861 HydrophobicContact CB-CG 4.09Å; C794-V963 CarbonylContact C-O 3.58Å; C794-V963 VanDerWaalsContact CA-O 3.23Å; C794-V963 WeakPolarHBondContact CA-O 3.35Å; C794-S965 PolarHBondContact SG-N 3.05Å; C794-M968 WeakPolarHBondContact SG-CE 3.44Å
795	G	96.9	Very high	95.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.9	172.6	0	0	0	0	0	111	I855 V963	G795-I855 WeakPolarHBondContact CA-O 3.21Å; G795-V963 PolarHBondContact N-O 2.78Å; G795-V963 PolarHBondContact O-N 2.91Å
796	I	97.8	Very high	96	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	139.2	175	-170.1	173.1	0	0	0	111	I798 I854 I855 P861 L864 E865 V961	I796-I798 HydrophobicContact CD1-CD1 3.88Å; I796-I798 HydrophobicContact CD1-CG1 3.57Å; I796-I798 HydrophobicContact CG1-CG1 3.86Å; I796-I854 WeakPolarHBondContact O-CA 3.49Å; I796-I855 HydrophobicContact CG2-CB 3.81Å; I796-I855 HydrophobicContact CG2-CG1 4.45Å; I796-I855 PolarHBondContact N-O 2.9Å; I796-I855 PolarHBondContact O-N 3.04Å; I796-P861 HydrophobicContact CD1-CB 4.23Å; I796-L864 HydrophobicContact CB-CD1 4.42Å; I796-L864 HydrophobicContact CG2-CB 4.08Å; I796-L864 HydrophobicContact CG2-CD1 3.64Å; I796-E865 HydrophobicContact CD1-CG 3.77Å; I796-V961 WeakPolarHBondContact CA-O 3.36Å; I796-V961 WeakPolarHBondContact CG1-O 3.27Å
797	E	98.5	Very high	96.4	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.014	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124	156.4	-173.3	169.9	-149.9	0	0	108.4	A687 M688 L691 R852 F853 I854 V961	A687-E797 HydrophobicContact CB-CB 4.03Å; M688-E797 VanDerWaalsContact CA-OE2 3.25Å; M688-E797 WeakPolarHBondContact CA-OE2 3.48Å; M688-E797 WeakPolarHBondContact CG-OE2 3.4Å; L691-E797 VanDerWaalsContact CD2-CD 3.44Å; L691-E797 HydrophobicContact CD2-CG 3.87Å; L691-E797 VanDerWaalsContact CD2-OE2 3.24Å; L691-E797 WeakPolarHBondContact CD2-OE2 3.24Å; E797-R852 WeakPolarHBondContact OE1-CD 3.34Å; E797-R852 IonicContact OE1-CZ 3.7Å; E797-R852 IonicContact OE1-NE 3.1Å; E797-R852 IonicContact OE1-NH1 2.91Å; E797-R852 PolarHBondContact OE1-NH1 2.9Å; E797-F853 CarbonylContact C-O 3.45Å; E797-F853 VanDerWaalsContact CA-O 3.29Å; E797-F853 WeakPolarHBondContact CA-O 3.44Å; E797-I854 HydrophobicContact CB-CG1 4.1Å; E797-I854 HydrophobicContact CG-CD1 4.49Å; E797-I854 HydrophobicContact CG-CG1 3.69Å; E797-V961 PolarHBondContact N-O 3.46Å; E797-V961 PolarHBondContact O-N 3.27Å
798	I	98.3	Very high	96.5	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.3	173.7	-54.1	161.3	0	0	0	107.2	I796 Y800 R852 F853 E865 V868 K958	I796-I798 HydrophobicContact CD1-CD1 3.88Å; I796-I798 HydrophobicContact CD1-CG1 3.57Å; I796-I798 HydrophobicContact CG1-CG1 3.86Å; I798-Y800 HydrophobicContact CB-CE2 4.39Å; I798-Y800 HydrophobicContact CG2-CD2 4.17Å; I798-Y800 HydrophobicContact CG2-CE1 4.4Å; I798-Y800 HydrophobicContact CG2-CE2 3.49Å; I798-Y800 VanDerWaalsContact CG2-CE2 3.49Å; I798-R852 CarbonylContact O-C 3.57Å; I798-R852 WeakPolarHBondContact O-CA 3.45Å; I798-F853 PolarHBondContact N-O 3.16Å; I798-F853 PolarHBondContact O-N 2.96Å; I798-E865 HydrophobicContact CD1-CG 4.43Å; I798-E865 WeakPolarHBondContact CD1-OE2 3.41Å; I798-V868 HydrophobicContact CD1-CB 3.8Å; I798-V868 HydrophobicContact CD1-CG1 3.82Å; I798-V868 HydrophobicContact CD1-CG2 3.87Å; I798-K958 HydrophobicContact CG2-CD 4.5Å; I798-K958 HydrophobicContact CG2-CG 4.27Å
799	Y	98.5	Very high	96.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.6	179.3	-178.8	-138.2	0	0	0	111.5	L691 M695 E773 Q801 R843 Q849 L851 R852 K958 V959	L691-Y799 HydrophobicContact CD1-CD1 4.28Å; L691-Y799 HydrophobicContact CD2-CD1 4.38Å; L691-Y799 HydrophobicContact CD2-CG 4.14Å; M695-Y799 HydrophobicContact CE-CE1 4.21Å; M695-Y799 HydrophobicContact CG-CD1 4.34Å; M695-Y799 HydrophobicContact CG-CE1 4.45Å; E773-Y799 PolarHBondContact OE1-OH 3.11Å; Y799-Q801 HydrophobicContact CD1-CB 4.28Å; Y799-Q801 HydrophobicContact CE1-CB 3.67Å; Y799-Q801 HydrophobicContact CE1-CG 4.05Å; Y799-Q801 HydrophobicContact CE2-CB 4.41Å; Y799-R843 HydrophobicContact CD2-CB 4.12Å; Y799-R843 HydrophobicContact CD2-CG 4.5Å; Y799-R843 VanDerWaalsContact CE1-NH1 3.26Å; Y799-R843 HydrophobicContact CE2-CB 3.8Å; Y799-R843 HydrophobicContact CE2-CG 4.18Å; Y799-R843 PolarHBondContact OH-NH1 3.3Å; Y799-R843 VanDerWaalsContact OH-NH1 3.11Å; Y799-Q849 PolarHBondContact OH-O 2.89Å; Y799-Q849 VanDerWaalsContact OH-O 3.04Å; Y799-L851 WeakPolarHBondContact CD2-O 3.38Å; Y799-R852 HydrophobicContact CD2-CB 4.46Å; Y799-K958 WeakPolarHBondContact O-CA 3.39Å; Y799-V959 PolarHBondContact N-O 2.9Å; Y799-V959 PolarHBondContact O-N 2.69Å
800	Y	98.3	Very high	96.8	Very high	1 Å²	1	19 Å²	19	0%	0.004	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	91.2	171.3	-59.7	-82.2	0	0	0	108.3	I798 T802 G850 L851 F853 E869 L872 L949 H957 K958	I798-Y800 HydrophobicContact CB-CE2 4.39Å; I798-Y800 HydrophobicContact CG2-CD2 4.17Å; I798-Y800 HydrophobicContact CG2-CE1 4.4Å; I798-Y800 HydrophobicContact CG2-CE2 3.49Å; I798-Y800 VanDerWaalsContact CG2-CE2 3.49Å; Y800-T802 PolarHBondContact O-N 3.19Å; Y800-G850 CarbonylContact O-C 3.52Å; Y800-G850 WeakPolarHBondContact O-CA 3.46Å; Y800-L851 HydrophobicContact CD2-CD2 4.35Å; Y800-L851 HydrophobicContact CD2-CG 4.36Å; Y800-L851 PolarHBondContact N-O 2.78Å; Y800-L851 PolarHBondContact O-N 3.01Å; Y800-F853 HydrophobicContact CD2-CD2 4.22Å; Y800-F853 HydrophobicContact CD2-CE2 4.17Å; Y800-F853 AromaticContact CE2-CD2 3.81Å; Y800-F853 HydrophobicContact CE2-CD2 3.81Å; Y800-F853 AromaticContact CE2-CE2 3.82Å; Y800-F853 HydrophobicContact CE2-CE2 3.82Å; Y800-E869 PolarHBondContact OH-OE1 2.56Å; Y800-L872 HydrophobicContact CE1-CD1 4.37Å; Y800-L872 HydrophobicContact CE2-CD1 3.92Å; Y800-L949 HydrophobicContact CG-CD2 4.23Å; Y800-H957 CarbonylContact C-O 3.53Å; Y800-H957 WeakPolarHBondContact CA-O 3.23Å; Y800-K958 HydrophobicContact CD1-CB 4.44Å; Y800-K958 HydrophobicContact CD1-CD 4.49Å; Y800-K958 HydrophobicContact CD1-CG 4.19Å; Y800-K958 HydrophobicContact CE1-CB 4.44Å; Y800-K958 HydrophobicContact CE1-CD 3.71Å; Y800-K958 HydrophobicContact CE1-CG 3.86Å; Y800-K958 WeakPolarHBondContact OH-CE 3.22Å
801	Q	98.2	Very high	96.9	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	126.1	-178.5	-177.2	174.9	69.1	0	0	110.1	M695 E773 V774 Y799 V848 H957 F1007	M695-Q801 VanDerWaalsContact CE-NE2 3.28Å; E773-Q801 PolarHBondContact OE1-NE2 2.89Å; V774-Q801 PolarHBondContact O-NE2 2.92Å; V774-Q801 PolarHBondContact O-OE1 2.85Å; Y799-Q801 HydrophobicContact CD1-CB 4.28Å; Y799-Q801 HydrophobicContact CE1-CB 3.67Å; Y799-Q801 HydrophobicContact CE1-CG 4.05Å; Y799-Q801 HydrophobicContact CE2-CB 4.41Å; Q801-V848 HydrophobicContact CG-CG1 4.04Å; Q801-H957 HydrophobicContact CB-CB 3.83Å; Q801-H957 PolarHBondContact N-O 3.03Å; Q801-H957 VanDerWaalsContact O-CB 3.29Å; Q801-H957 WeakPolarHBondContact O-CB 3.47Å; Q801-H957 PolarHBondContact O-ND1 3.23Å; Q801-F1007 HydrophobicContact CG-CE2 4.42Å
802	T	96.9	Very high	97.1	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.018	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-77.3	-178.8	53.6	0	0	0	0	110.2	Y800 Q849 F944 R948	Y800-T802 PolarHBondContact O-N 3.19Å; T802-Q849 PolarHBondContact N-O 2.9Å; T802-Q849 PolarHBondContact OG1-O 3.09Å; T802-F944 HydrophobicContact CG2-CE2 3.89Å; T802-F944 HydrophobicContact CG2-CZ 3.81Å; T802-R948 PolarHBondContact O-NH1 2.85Å
803	D	96.1	Very high	97.4	Very high	47 Å²	47	16 Å²	16	25%	0.251	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	-172.1	-175.5	-136.9	-60.2	0	0	0	111.7	Q849 R948	D803-Q849 WeakPolarHBondContact O-CG 2.87Å; D803-Q849 PolarHBondContact O-N 3.18Å; D803-R948 IonicContact OD2-CZ 2.67Å; D803-R948 IonicContact OD2-NH1 2.8Å; D803-R948 PolarHBondContact OD2-NH1 3.08Å; D803-R948 IonicContact OD2-NH2 3.6Å; D803-R948 PolarHBondContact OD2-NH2 3.23Å
804	M	95.8	Very high	97.7	Very high	39 Å²	39	16.3 Å²	16.3	19%	0.192	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	156	166.4	-59.6	-170.3	75.6	0	0	112	T806 Q849 F1007 P1008 K1010	M804-T806 PolarHBondContact O-N 3.14Å; M804-Q849 PolarHBondContact O-NE2 2.87Å; M804-F1007 HydrophobicContact CG-CD1 4.15Å; M804-F1007 HydrophobicContact CG-CE1 4.45Å; M804-P1008 HydrophobicContact CE-CG 4.27Å; M804-P1008 VanDerWaalsContact CE-O 3.24Å; M804-P1008 WeakPolarHBondContact CE-O 3.2Å; M804-P1008 HydrophobicContact SD-CG 3.87Å; M804-K1010 HydrophobicContact CE-CB 4.1Å
805	Q	97.3	Very high	97.8	Very high	13 Å²	13	16.3 Å²	16.3	6%	0.061	9%	0.089	C	C	.	.			trans	-76.9	101.5	179.5	-65.4	177.7	29.1	0	0	111.7	N810 R844 G847 V848 Q849 K1010	Q805-N810 WeakPolarHBondContact CA-OD1 3.36Å; Q805-N810 WeakPolarHBondContact CB-OD1 3.34Å; Q805-R844 VanDerWaalsContact CD-NH1 3.34Å; Q805-G847 WeakPolarHBondContact CG-O 3.42Å; Q805-G847 PolarHBondContact N-O 3.09Å; Q805-V848 PolarHBondContact NE2-O 3.48Å; Q805-Q849 HydrophobicContact CG-CB 3.95Å; Q805-Q849 HydrophobicContact CG-CG 3.97Å; Q805-K1010 HydrophobicContact CB-CD 4.44Å; Q805-K1010 WeakPolarHBondContact O-CD 3.34Å; Q805-K1010 VanDerWaalsContact O-CE 3.22Å; Q805-K1010 WeakPolarHBondContact O-CE 3.31Å; Q805-K1010 PolarHBondContact O-NZ 2.73Å
806	T	96.8	Very high	97.9	Very high	55 Å²	55	16.3 Å²	16.3	34%	0.337	9%	0.089	S	C	.	.			trans	-114.7	163.3	170	84.5	0	0	0	0	110.9	M804 N808 D809 N810	M804-T806 PolarHBondContact O-N 3.14Å; T806-N808 PolarHBondContact O-N 3.35Å; T806-N808 PolarHBondContact OG1-N 3.29Å; T806-D809 WeakPolarHBondContact CB-OD2 3.33Å; T806-D809 VanDerWaalsContact CG2-OD2 3.23Å; T806-D809 WeakPolarHBondContact CG2-OD2 3.49Å; T806-D809 PolarHBondContact O-N 2.94Å; T806-D809 PolarHBondContact OG1-N 3.18Å; T806-D809 VanDerWaalsContact OG1-N 3.11Å; T806-D809 PolarHBondContact OG1-OD2 3.31Å; T806-N810 WeakPolarHBondContact O-CB 3.38Å; T806-N810 PolarHBondContact O-N 3.18Å; T806-N810 PolarHBondContact O-ND2 3.48Å; T806-N810 PolarHBondContact O-OD1 3.37Å
807	T	97.5	Very high	97.9	Very high	46 Å²	46	16.7 Å²	16.7	28%	0.282	9%	0.092	S	C	.	.	H	α-helix	trans	-53.3	-40.4	175.4	-51	0	0	0	0	112.1	M811 I928 E929 H932	T807-M811 WeakPolarHBondContact O-CG 3.14Å; T807-M811 PolarHBondContact O-N 2.97Å; T807-I928 HydrophobicContact CG2-CG2 4.04Å; T807-E929 HydrophobicContact CG2-CG 3.93Å; T807-H932 HydrophobicContact CG2-CB 3.84Å
808	N	98	Very high	97.9	Very high	60 Å²	60	17 Å²	17	32%	0.321	9%	0.093	S	C	.	.	H	α-helix	trans	-69.7	-54.1	178.8	-179.4	73.6	0	0	0	111.6	T806 N810 M811 L812 H932	T806-N808 PolarHBondContact O-N 3.35Å; T806-N808 PolarHBondContact OG1-N 3.29Å; N808-N810 VanDerWaalsContact C-N 3.3Å; N808-N810 PolarHBondContact O-N 3.01Å; N808-M811 PolarHBondContact O-N 3.39Å; N808-L812 VanDerWaalsContact ND2-CD1 3.27Å; N808-L812 WeakPolarHBondContact ND2-CD1 3.5Å; N808-L812 PolarHBondContact O-N 3.14Å; N808-H932 PolarHBondContact OD1-NE2 3.01Å
809	D	97.7	Very high	97.9	Very high	32 Å²	32	17 Å²	17	17%	0.171	9%	0.093	C	C	.	.	H	α-helix	trans	-74.1	-27.6	-170.4	-48.5	-46	0	0	0	111.3	T806 M811 L813 Q849	T806-D809 WeakPolarHBondContact CB-OD2 3.33Å; T806-D809 VanDerWaalsContact CG2-OD2 3.23Å; T806-D809 WeakPolarHBondContact CG2-OD2 3.49Å; T806-D809 PolarHBondContact O-N 2.94Å; T806-D809 PolarHBondContact OG1-N 3.18Å; T806-D809 VanDerWaalsContact OG1-N 3.11Å; T806-D809 PolarHBondContact OG1-OD2 3.31Å; D809-M811 VanDerWaalsContact C-N 3.34Å; D809-L813 VanDerWaalsContact O-CB 3.27Å; D809-L813 WeakPolarHBondContact O-CB 3.48Å; D809-L813 PolarHBondContact O-N 2.93Å; D809-L813 VanDerWaalsContact O-N 3.1Å; D809-Q849 PolarHBondContact O-NE2 3.13Å
810	N	98.4	Very high	97.8	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-58.1	-45.8	167	-74.2	-3.2	0	0	0	111.1	Q805 T806 N808 E814 R844 Q849 E929	Q805-N810 WeakPolarHBondContact CA-OD1 3.36Å; Q805-N810 WeakPolarHBondContact CB-OD1 3.34Å; T806-N810 WeakPolarHBondContact O-CB 3.38Å; T806-N810 PolarHBondContact O-N 3.18Å; T806-N810 PolarHBondContact O-ND2 3.48Å; T806-N810 PolarHBondContact O-OD1 3.37Å; N808-N810 VanDerWaalsContact C-N 3.3Å; N808-N810 PolarHBondContact O-N 3.01Å; N810-E814 VanDerWaalsContact O-CB 3.32Å; N810-E814 WeakPolarHBondContact O-CB 3.12Å; N810-E814 WeakPolarHBondContact O-CG 3.09Å; N810-E814 PolarHBondContact O-N 2.74Å; N810-R844 PolarHBondContact OD1-NH1 3.04Å; N810-R844 PolarHBondContact OD1-NH2 3.3Å; N810-Q849 VanDerWaalsContact OD1-CD 3.28Å; N810-Q849 PolarHBondContact OD1-NE2 3.05Å; N810-Q849 PolarHBondContact OD1-OE1 3.23Å; N810-E929 PolarHBondContact ND2-OE1 3.37Å
811	M	98.6	Very high	97.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-80.4	-33.2	-175.3	-67.9	-62.8	95.3	0	0	113.5	T807 N808 D809 E814 L815 E929 L933 L936	T807-M811 WeakPolarHBondContact O-CG 3.14Å; T807-M811 PolarHBondContact O-N 2.97Å; N808-M811 PolarHBondContact O-N 3.39Å; D809-M811 VanDerWaalsContact C-N 3.34Å; M811-E814 HydrophobicContact CE-CB 4.12Å; M811-E814 HydrophobicContact CE-CG 4.4Å; M811-E814 WeakPolarHBondContact CE-OE2 3.46Å; M811-L815 WeakPolarHBondContact O-CB 3.24Å; M811-L815 PolarHBondContact O-N 3.19Å; M811-E929 HydrophobicContact CE-CB 3.97Å; M811-E929 HydrophobicContact CE-CG 4.46Å; M811-E929 HydrophobicContact CG-CB 4.11Å; M811-E929 WeakPolarHBondContact CG-O 3.43Å; M811-E929 HydrophobicContact SD-CB 3.89Å; M811-E929 VanDerWaalsContact SD-O 3.41Å; M811-L933 HydrophobicContact CG-CB 4.26Å; M811-L933 HydrophobicContact SD-CB 3.78Å; M811-L933 HydrophobicContact SD-CD1 4.25Å; M811-L933 HydrophobicContact SD-CD2 4.31Å; M811-L933 HydrophobicContact SD-CG 4.33Å; M811-L936 HydrophobicContact CB-CD1 3.82Å
812	L	98.7	Very high	97.6	Very high	16 Å²	16	20 Å²	20	8%	0.084	11%	0.112	C	C	.	.	H	α-helix	trans	-60.7	-47.3	168.5	-68.8	173.8	0	0	0	111	N808 F816 L936 N940 I941 F944	N808-L812 VanDerWaalsContact ND2-CD1 3.27Å; N808-L812 WeakPolarHBondContact ND2-CD1 3.5Å; N808-L812 PolarHBondContact O-N 3.14Å; L812-F816 WeakPolarHBondContact O-CB 3.31Å; L812-F816 PolarHBondContact O-N 2.82Å; L812-L936 HydrophobicContact CD2-CD1 4.14Å; L812-L936 HydrophobicContact CD2-CD2 3.98Å; L812-N940 HydrophobicContact CD2-CB 4.1Å; L812-I941 HydrophobicContact CD2-CD1 3.86Å; L812-F944 HydrophobicContact CB-CB 4.41Å; L812-F944 HydrophobicContact CB-CD1 4.33Å; L812-F944 HydrophobicContact CB-CD2 3.81Å; L812-F944 HydrophobicContact CB-CE2 4.08Å; L812-F944 HydrophobicContact CB-CG 3.93Å; L812-F944 HydrophobicContact CB-CZ 4.45Å; L812-F944 HydrophobicContact CD1-CB 4.27Å; L812-F944 HydrophobicContact CD1-CD2 4.05Å; L812-F944 HydrophobicContact CD1-CG 4.39Å; L812-F944 HydrophobicContact CD2-CB 4.28Å
813	L	98.7	Very high	97.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.5	-49.8	177.9	177.4	61.8	0	0	0	112.1	D809 F816 C817 P842 Q849 L851 F944	D809-L813 VanDerWaalsContact O-CB 3.27Å; D809-L813 WeakPolarHBondContact O-CB 3.48Å; D809-L813 PolarHBondContact O-N 2.93Å; D809-L813 VanDerWaalsContact O-N 3.1Å; L813-F816 PolarHBondContact O-N 3.18Å; L813-C817 WeakPolarHBondContact O-CB 3.39Å; L813-C817 PolarHBondContact O-N 3.2Å; L813-C817 PolarHBondContact O-SG 3.16Å; L813-P842 HydrophobicContact CD2-CB 4Å; L813-P842 HydrophobicContact CG-CB 4.26Å; L813-Q849 HydrophobicContact CD2-CB 3.85Å; L813-Q849 HydrophobicContact CD2-CG 3.95Å; L813-L851 HydrophobicContact CD1-CB 3.94Å; L813-F944 HydrophobicContact CB-CZ 4.25Å; L813-F944 HydrophobicContact CD1-CZ 4.38Å
814	E	98.6	Very high	97.7	Very high	24 Å²	24	19.1 Å²	19.1	11%	0.112	11%	0.109	C	C	.	.	H	α-helix	trans	-68.1	-35.8	-177.3	-76	178.6	-154.8	0	0	112.8	N810 M811 C817 Q818 R844 L894 R898	N810-E814 VanDerWaalsContact O-CB 3.32Å; N810-E814 WeakPolarHBondContact O-CB 3.12Å; N810-E814 WeakPolarHBondContact O-CG 3.09Å; N810-E814 PolarHBondContact O-N 2.74Å; M811-E814 HydrophobicContact CE-CB 4.12Å; M811-E814 HydrophobicContact CE-CG 4.4Å; M811-E814 WeakPolarHBondContact CE-OE2 3.46Å; E814-C817 PolarHBondContact O-N 3.01Å; E814-Q818 WeakPolarHBondContact O-CB 3.33Å; E814-Q818 PolarHBondContact O-N 2.71Å; E814-R844 IonicContact OE1-CZ 3.44Å; E814-R844 IonicContact OE1-NE 2.84Å; E814-R844 PolarHBondContact OE1-NE 2.92Å; E814-R844 IonicContact OE1-NH2 3.27Å; E814-R844 PolarHBondContact OE1-NH2 3.01Å; E814-L894 HydrophobicContact CB-CD1 4.29Å; E814-L894 HydrophobicContact CB-CD2 3.81Å; E814-R898 IonicContact OE1-NH1 3.65Å; E814-R898 IonicContact OE2-CZ 3.65Å; E814-R898 IonicContact OE2-NH1 3.35Å; E814-R898 PolarHBondContact OE2-NH1 3.28Å
815	L	98.6	Very high	97.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-70.2	-40.5	174.7	-177.2	55.8	0	0	0	111.7	M811 C817 Q818 I819 F887 H890 I891 L894 L933 L936 I941	M811-L815 WeakPolarHBondContact O-CB 3.24Å; M811-L815 PolarHBondContact O-N 3.19Å; L815-C817 PolarHBondContact O-N 2.84Å; L815-Q818 PolarHBondContact O-N 2.89Å; L815-I819 HydrophobicContact CD1-CD1 4.23Å; L815-I819 HydrophobicContact CD1-CG1 4.43Å; L815-I819 HydrophobicContact CG-CD1 4.13Å; L815-I819 WeakPolarHBondContact O-CG1 3.29Å; L815-I819 PolarHBondContact O-N 2.94Å; L815-F887 HydrophobicContact CD2-CE2 4.06Å; L815-F887 HydrophobicContact CD2-CZ 3.74Å; L815-H890 HydrophobicContact CD1-CB 4.09Å; L815-I891 HydrophobicContact CD1-CG1 3.87Å; L815-I891 HydrophobicContact CD2-CD1 4.14Å; L815-I891 HydrophobicContact CD2-CG1 3.67Å; L815-I891 HydrophobicContact CG-CG1 4.46Å; L815-L894 HydrophobicContact CB-CD2 4.18Å; L815-L933 HydrophobicContact CB-CD1 3.96Å; L815-L933 HydrophobicContact CD1-CD1 4.35Å; L815-L933 HydrophobicContact CD2-CD1 3.94Å; L815-L933 HydrophobicContact CG-CD1 4.31Å; L815-L936 HydrophobicContact CD2-CB 4.22Å; L815-L936 HydrophobicContact CD2-CD1 4.15Å; L815-I941 HydrophobicContact CB-CD1 4Å; L815-I941 HydrophobicContact CD2-CD1 3.96Å; L815-I941 HydrophobicContact CD2-CG1 3.95Å; L815-I941 HydrophobicContact CG-CD1 4.05Å; L815-I941 HydrophobicContact CG-CG1 4.28Å
816	F	98.6	Very high	97.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.1	-46.5	172.2	-174	-88.7	0	0	0	111.1	L812 L813 Q818 I819 I820 L851 L872 L879 I941 F944 Y945 L949	L812-F816 WeakPolarHBondContact O-CB 3.31Å; L812-F816 PolarHBondContact O-N 2.82Å; L813-F816 PolarHBondContact O-N 3.18Å; F816-Q818 PolarHBondContact O-N 3.13Å; F816-I819 PolarHBondContact O-N 3.37Å; F816-I819 VanDerWaalsContact O-N 3.16Å; F816-I820 HydrophobicContact CD1-CD1 4.38Å; F816-I820 HydrophobicContact CD1-CG1 4.33Å; F816-I820 HydrophobicContact CD1-CG2 4.14Å; F816-I820 HydrophobicContact CE1-CD1 3.96Å; F816-I820 HydrophobicContact CE1-CG1 4.2Å; F816-I820 HydrophobicContact CE1-CG2 3.62Å; F816-I820 HydrophobicContact CE2-CG2 4.34Å; F816-I820 HydrophobicContact CZ-CG2 3.74Å; F816-I820 WeakPolarHBondContact O-CG1 3.45Å; F816-I820 PolarHBondContact O-N 3.15Å; F816-L851 HydrophobicContact CD1-CD2 4.13Å; F816-L851 HydrophobicContact CE1-CD2 3.68Å; F816-L872 HydrophobicContact CE1-CD2 4.44Å; F816-L872 HydrophobicContact CZ-CD2 4.33Å; F816-L879 HydrophobicContact CD2-CD1 4.35Å; F816-L879 HydrophobicContact CE2-CD1 3.84Å; F816-I941 HydrophobicContact CD2-CG2 3.93Å; F816-F944 HydrophobicContact CB-CD1 4.29Å; F816-F944 HydrophobicContact CB-CE1 3.87Å; F816-F944 HydrophobicContact CD2-CD1 4.5Å; F816-F944 HydrophobicContact CG-CE1 4.13Å; F816-Y945 AromaticContact CE2-CD2 3.51Å; F816-Y945 HydrophobicContact CE2-CD2 3.51Å; F816-Y945 HydrophobicContact CE2-CE2 4.46Å; F816-Y945 AromaticContact CE2-CG 3.97Å; F816-Y945 HydrophobicContact CE2-CG 3.97Å; F816-Y945 AromaticContact CZ-CD2 3.6Å; F816-Y945 HydrophobicContact CZ-CD2 3.6Å; F816-Y945 HydrophobicContact CZ-CE2 4.23Å; F816-Y945 HydrophobicContact CZ-CG 4.49Å; F816-L949 HydrophobicContact CD1-CD1 3.85Å; F816-L949 HydrophobicContact CD2-CD1 4.32Å; F816-L949 HydrophobicContact CE1-CD1 3.6Å; F816-L949 HydrophobicContact CE2-CD1 4.1Å; F816-L949 HydrophobicContact CG-CD1 4.21Å; F816-L949 HydrophobicContact CZ-CD1 3.74Å
817	C	98.2	Very high	97.3	Very high	9 Å²	9	19.5 Å²	19.5	6%	0.061	11%	0.107	C	C	.	.	H	α-helix	trans	-59.7	-41.9	174.7	-70.2	0	0	0	0	112.7	L813 E814 L815 I819 I820 S821 G841	L813-C817 WeakPolarHBondContact O-CB 3.39Å; L813-C817 PolarHBondContact O-N 3.2Å; L813-C817 PolarHBondContact O-SG 3.16Å; E814-C817 PolarHBondContact O-N 3.01Å; L815-C817 PolarHBondContact O-N 2.84Å; C817-I819 VanDerWaalsContact C-N 3.28Å; C817-I819 PolarHBondContact O-N 3.39Å; C817-I820 PolarHBondContact O-N 3.43Å; C817-S821 WeakPolarHBondContact O-CB 3.43Å; C817-S821 PolarHBondContact O-N 3.03Å; C817-G841 VanDerWaalsContact SG-C 3.54Å
818	Q	97.9	Very high	97.2	Very high	9 Å²	9	17.3 Å²	17.3	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-61.4	-34.8	175.3	172.1	64.9	36.4	0	0	112.4	S137 E814 L815 F816 H890 L894	S137-Q818 PolarHBondContact O-NE2 3.47Å; E814-Q818 WeakPolarHBondContact O-CB 3.33Å; E814-Q818 PolarHBondContact O-N 2.71Å; L815-Q818 PolarHBondContact O-N 2.89Å; F816-Q818 PolarHBondContact O-N 3.13Å; Q818-H890 HydrophobicContact CG-CB 4.05Å; Q818-H890 WeakPolarHBondContact CG-O 3.3Å; Q818-H890 PolarHBondContact O-ND1 2.93Å; Q818-L894 HydrophobicContact CB-CB 4.31Å; Q818-L894 HydrophobicContact CG-CB 4.05Å
819	I	98	Very high	96.9	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-74	-47.2	177.6	-67.5	161.5	0	0	0	111	L815 F816 C817 S821 P823 M875 L879 M882 F887 H890 I941	L815-I819 HydrophobicContact CD1-CD1 4.23Å; L815-I819 HydrophobicContact CD1-CG1 4.43Å; L815-I819 HydrophobicContact CG-CD1 4.13Å; L815-I819 WeakPolarHBondContact O-CG1 3.29Å; L815-I819 PolarHBondContact O-N 2.94Å; F816-I819 PolarHBondContact O-N 3.37Å; F816-I819 VanDerWaalsContact O-N 3.16Å; C817-I819 VanDerWaalsContact C-N 3.28Å; C817-I819 PolarHBondContact O-N 3.39Å; I819-S821 PolarHBondContact O-N 3.26Å; I819-P823 WeakPolarHBondContact O-CD 3.26Å; I819-M875 HydrophobicContact CG2-CE 4.12Å; I819-L879 HydrophobicContact CD1-CD2 3.94Å; I819-L879 HydrophobicContact CG2-CD2 3.79Å; I819-M882 HydrophobicContact CG2-CE 3.78Å; I819-F887 HydrophobicContact CD1-CD2 4.05Å; I819-F887 HydrophobicContact CD1-CE2 3.9Å; I819-H890 HydrophobicContact CG1-CB 3.76Å; I819-I941 HydrophobicContact CD1-CG2 4.37Å
820	I	97.6	Very high	96.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-79.2	-13.3	-176.5	69.4	151.9	0	0	0	114.5	F816 C817 C824 L851 F853 F871 M875	F816-I820 HydrophobicContact CD1-CD1 4.38Å; F816-I820 HydrophobicContact CD1-CG1 4.33Å; F816-I820 HydrophobicContact CD1-CG2 4.14Å; F816-I820 HydrophobicContact CE1-CD1 3.96Å; F816-I820 HydrophobicContact CE1-CG1 4.2Å; F816-I820 HydrophobicContact CE1-CG2 3.62Å; F816-I820 HydrophobicContact CE2-CG2 4.34Å; F816-I820 HydrophobicContact CZ-CG2 3.74Å; F816-I820 WeakPolarHBondContact O-CG1 3.45Å; F816-I820 PolarHBondContact O-N 3.15Å; C817-I820 PolarHBondContact O-N 3.43Å; I820-C824 WeakPolarHBondContact O-CB 3.26Å; I820-C824 PolarHBondContact O-N 2.9Å; I820-L851 HydrophobicContact CD1-CD1 3.82Å; I820-L851 HydrophobicContact CD1-CD2 4.23Å; I820-F853 HydrophobicContact CD1-CE1 4.09Å; I820-F853 HydrophobicContact CD1-CZ 3.72Å; I820-F871 HydrophobicContact CB-CE1 4.24Å; I820-F871 HydrophobicContact CB-CZ 4.08Å; I820-F871 HydrophobicContact CD1-CE1 4.32Å; I820-M875 HydrophobicContact CG2-CB 4.24Å; I820-M875 HydrophobicContact CG2-CE 4.08Å; I820-M875 HydrophobicContact CG2-CG 3.94Å
821	S	95.9	Very high	96	Very high	45 Å²	45	19.5 Å²	19.5	32%	0.315	10%	0.099	S	C	.	.	H	α-helix	trans	-58.1	-54	-167.4	174.9	0	0	0	0	114.5	C817 I819 F825	C817-S821 WeakPolarHBondContact O-CB 3.43Å; C817-S821 PolarHBondContact O-N 3.03Å; I819-S821 PolarHBondContact O-N 3.26Å; S821-F825 PolarHBondContact O-N 3.03Å
822	E	96.6	Very high	95.7	Very high	21 Å²	21	20.9 Å²	20.9	10%	0.098	11%	0.106	C	C	.	.	H	α-helix	trans	-74.2	-44.8	177.1	-175.9	-79	164	0	0	112.2	N130 C824 F825 N826	N130-E822 PolarHBondContact ND2-OE1 3Å; E822-C824 PolarHBondContact O-N 3.19Å; E822-F825 PolarHBondContact O-N 2.99Å; E822-F825 VanDerWaalsContact O-N 3.09Å; E822-N826 VanDerWaalsContact O-CB 3.24Å; E822-N826 WeakPolarHBondContact O-CB 3.08Å; E822-N826 PolarHBondContact O-N 2.85Å; E822-N826 WeakPolarHBondContact OE1-CB 3.46Å; E822-N826 PolarHBondContact OE1-ND2 3.1Å; E822-N826 VanDerWaalsContact OE1-ND2 3.13Å
823	P	97	Very high	95.2	Very high	29 Å²	29	21.4 Å²	21.4	19%	0.188	11%	0.108	C	C	.	.	H	α-helix	trans	-55.4	-34.5	174.8	-31.1	37.5	0	0	0	114	I819 T827 F871 M875	I819-P823 WeakPolarHBondContact O-CD 3.26Å; P823-T827 WeakPolarHBondContact O-CB 3.4Å; P823-T827 PolarHBondContact O-N 2.95Å; P823-T827 PolarHBondContact O-OG1 2.61Å; P823-F871 VanDerWaalsContact C-CE2 3.47Å; P823-F871 HydrophobicContact CB-CE2 3.98Å; P823-F871 HydrophobicContact CB-CZ 4.21Å; P823-F871 WeakPolarHBondContact O-CE2 3.3Å; P823-M875 HydrophobicContact CB-CE 4.08Å; P823-M875 HydrophobicContact CB-SD 3.56Å; P823-M875 VanDerWaalsContact CB-SD 3.56Å; P823-M875 HydrophobicContact CG-CE 4.09Å; P823-M875 HydrophobicContact CG-SD 4.22Å
824	C	97.1	Very high	94.9	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.007	11%	0.108	C	C	.	.	H	α-helix	trans	-63.9	-47.8	175.9	177.3	0	0	0	0	111.9	I820 E822 L828 S840 F871	I820-C824 WeakPolarHBondContact O-CB 3.26Å; I820-C824 PolarHBondContact O-N 2.9Å; E822-C824 PolarHBondContact O-N 3.19Å; C824-L828 WeakPolarHBondContact O-CB 3.33Å; C824-L828 PolarHBondContact O-N 3.1Å; C824-S840 WeakPolarHBondContact CB-OG 3.42Å; C824-S840 VanDerWaalsContact SG-CB 3.58Å; C824-S840 PolarHBondContact SG-OG 2.83Å; C824-F871 HydrophobicContact CB-CE1 3.81Å; C824-F871 HydrophobicContact CB-CE2 4.34Å; C824-F871 HydrophobicContact CB-CZ 3.61Å
825	F	93.7	Very high	94.4	Very high	83 Å²	83	20.6 Å²	20.6	36%	0.364	11%	0.105	S	C	.	.	H	α-helix	trans	-68.3	-48.5	179.8	-172.9	-88.6	0	0	0	110.9	S821 E822 T827 R829 T830	S821-F825 PolarHBondContact O-N 3.03Å; E822-F825 PolarHBondContact O-N 2.99Å; E822-F825 VanDerWaalsContact O-N 3.09Å; F825-T827 PolarHBondContact O-N 2.75Å; F825-R829 WeakPolarHBondContact O-CA 3.5Å; F825-R829 WeakPolarHBondContact O-CB 3.36Å; F825-R829 PolarHBondContact O-N 3.31Å; F825-T830 PolarHBondContact O-N 2.84Å
826	N	93.1	Very high	93.8	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.037	12%	0.116	C	C	.	.	I	π-helix	trans	-57.8	-44.8	177.1	177.2	-7.6	0	0	0	112.4	N130 E822 T830 K831	N130-N826 WeakPolarHBondContact CB-ND2 3.25Å; N130-N826 PolarHBondContact ND2-ND2 2.9Å; E822-N826 VanDerWaalsContact O-CB 3.24Å; E822-N826 WeakPolarHBondContact O-CB 3.08Å; E822-N826 PolarHBondContact O-N 2.85Å; E822-N826 WeakPolarHBondContact OE1-CB 3.46Å; E822-N826 PolarHBondContact OE1-ND2 3.1Å; E822-N826 VanDerWaalsContact OE1-ND2 3.13Å; N826-T830 WeakPolarHBondContact O-CB 3.24Å; N826-T830 PolarHBondContact O-N 2.78Å; N826-K831 PolarHBondContact ND2-NZ 2.86Å; N826-K831 PolarHBondContact O-N 3.45Å; N826-K831 WeakPolarHBondContact OD1-CE 3.44Å; N826-K831 PolarHBondContact OD1-NZ 3.13Å
827	T	94.4	Very high	93.6	Very high	25 Å²	25	24.9 Å²	24.9	15%	0.153	12%	0.124	C	C	.	.	I	π-helix	trans	-72.6	-59.4	178.7	-51.7	0	0	0	0	111.1	P823 F825 E832 F871	P823-T827 WeakPolarHBondContact O-CB 3.4Å; P823-T827 PolarHBondContact O-N 2.95Å; P823-T827 PolarHBondContact O-OG1 2.61Å; F825-T827 PolarHBondContact O-N 2.75Å; T827-E832 HydrophobicContact CG2-CG 4.44Å; T827-E832 WeakPolarHBondContact CG2-OE1 3.22Å; T827-E832 WeakPolarHBondContact O-CB 3.44Å; T827-E832 VanDerWaalsContact O-CG 3.3Å; T827-E832 WeakPolarHBondContact O-CG 3.41Å; T827-E832 PolarHBondContact O-N 3.22Å; T827-F871 HydrophobicContact CG2-CD2 4.12Å
828	L	95.5	Very high	93.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	I	π-helix	trans	-80.7	-23.4	-167.4	-58.4	174.3	0	0	0	113.6	C824 L834 V838 I855 R867 V868 F871	C824-L828 WeakPolarHBondContact O-CB 3.33Å; C824-L828 PolarHBondContact O-N 3.1Å; L828-L834 HydrophobicContact CB-CD1 4.11Å; L828-L834 HydrophobicContact CD2-CD1 3.88Å; L828-L834 VanDerWaalsContact O-CB 3.26Å; L828-L834 WeakPolarHBondContact O-CB 3.38Å; L828-L834 VanDerWaalsContact O-CG 3.26Å; L828-L834 WeakPolarHBondContact O-CG 3.49Å; L828-L834 PolarHBondContact O-N 3.22Å; L828-L834 VanDerWaalsContact O-N 3.1Å; L828-V838 HydrophobicContact CB-CG1 3.91Å; L828-V838 HydrophobicContact CB-CG2 4.35Å; L828-I855 HydrophobicContact CD1-CD1 4.18Å; L828-R867 HydrophobicContact CD2-CB 4.04Å; L828-V868 HydrophobicContact CD1-CG2 3.92Å; L828-F871 HydrophobicContact CD1-CB 4.5Å; L828-F871 HydrophobicContact CD1-CD1 4.49Å; L828-F871 HydrophobicContact CD1-CG 4.44Å; L828-F871 HydrophobicContact CD2-CB 4.11Å; L828-F871 HydrophobicContact CG-CB 4.48Å
829	R	93.1	Very high	93.6	Very high	23 Å²	23	28.9 Å²	28.9	9%	0.087	14%	0.141	C	C	.	.	I	π-helix	trans	-99.6	-72.2	167.3	176.4	171.8	158	171.9	-8.4	111.2	H117 E187 F825 K831 Q833 Y836 V838	H117-R829 PolarHBondContact CE1-NH2 3.44Å; H117-R829 VanDerWaalsContact CE1-NH2 3.28Å; E187-R829 IonicContact OE1-CZ 2.67Å; E187-R829 IonicContact OE1-NE 3.7Å; E187-R829 IonicContact OE1-NH2 2.71Å; E187-R829 PolarHBondContact OE1-NH2 3.12Å; F825-R829 WeakPolarHBondContact O-CA 3.5Å; F825-R829 WeakPolarHBondContact O-CB 3.36Å; F825-R829 PolarHBondContact O-N 3.31Å; R829-K831 VanDerWaalsContact C-N 3.32Å; R829-K831 PolarHBondContact O-N 3.48Å; R829-K831 VanDerWaalsContact O-N 3.16Å; R829-Q833 WeakPolarHBondContact O-CA 3.47Å; R829-Q833 WeakPolarHBondContact O-CG 3.49Å; R829-Q833 PolarHBondContact O-N 2.77Å; R829-Q833 PolarHBondContact O-NE2 3.11Å; R829-Y836 PolarHBondContact NH1-O 3.01Å; R829-V838 HydrophobicContact CB-CB 4.16Å; R829-V838 HydrophobicContact CB-CG2 3.93Å
830	T	87.6	Confident	93.6	Very high	14 Å²	14	29.5 Å²	29.5	9%	0.086	15%	0.145	C	C	.	.	I	π-helix	trans	-62.1	-35.9	-162.7	-41.9	0	0	0	0	113.9	L121 E129 R186 F825 N826 Q833	L121-T830 HydrophobicContact CD2-CG2 3.75Å; E129-T830 VanDerWaalsContact OE1-CG2 3.29Å; E129-T830 WeakPolarHBondContact OE1-CG2 3.47Å; R186-T830 PolarHBondContact NH1-O 2.75Å; F825-T830 PolarHBondContact O-N 2.84Å; N826-T830 WeakPolarHBondContact O-CB 3.24Å; N826-T830 PolarHBondContact O-N 2.78Å; T830-Q833 PolarHBondContact O-NE2 2.8Å
831	K	89.4	Confident	93.6	Very high	103 Å²	103	29.7 Å²	29.7	45%	0.448	15%	0.148	S	C	.	.	I	π-helix	trans	-92.1	-54.1	178.8	-69.6	166.6	178.5	145.2	0	113.7	N826 R829	N826-K831 PolarHBondContact ND2-NZ 2.86Å; N826-K831 PolarHBondContact O-N 3.45Å; N826-K831 WeakPolarHBondContact OD1-CE 3.44Å; N826-K831 PolarHBondContact OD1-NZ 3.13Å; R829-K831 VanDerWaalsContact C-N 3.32Å; R829-K831 PolarHBondContact O-N 3.48Å; R829-K831 VanDerWaalsContact O-N 3.16Å
832	E	92	Very high	93.7	Very high	29 Å²	29	29.9 Å²	29.9	14%	0.136	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-13.1	-174.5	-63.8	-173.9	-170.1	0	0	113.8	T827 L834 R867 L985	T827-E832 HydrophobicContact CG2-CG 4.44Å; T827-E832 WeakPolarHBondContact CG2-OE1 3.22Å; T827-E832 WeakPolarHBondContact O-CB 3.44Å; T827-E832 VanDerWaalsContact O-CG 3.3Å; T827-E832 WeakPolarHBondContact O-CG 3.41Å; T827-E832 PolarHBondContact O-N 3.22Å; E832-L834 HydrophobicContact CB-CD2 4.15Å; E832-L834 HydrophobicContact CB-CG 3.97Å; E832-L834 PolarHBondContact O-N 3.5Å; E832-L834 VanDerWaalsContact O-N 3.16Å; E832-R867 IonicContact OE1-CZ 3.41Å; E832-R867 IonicContact OE1-NE 2.67Å; E832-R867 IonicContact OE1-NH2 2.7Å; E832-R867 PolarHBondContact OE1-NH2 2.76Å; E832-R867 IonicContact OE2-CZ 2.71Å; E832-R867 IonicContact OE2-NE 3.49Å; E832-R867 PolarHBondContact OE2-NE 3.25Å; E832-R867 IonicContact OE2-NH2 3.4Å; E832-R867 PolarHBondContact OE2-NH2 2.75Å; E832-L985 HydrophobicContact CG-CD2 3.86Å
833	Q	88.1	Confident	93.8	Very high	27 Å²	27	29.9 Å²	29.9	13%	0.126	15%	0.147	C	C	.	.			trans	47.6	43.4	177.3	-65.9	-69.2	-20	0	0	113	R186 E187 N189 R829 T830 G835	R186-Q833 HydrophobicContact CB-CG 3.81Å; R186-Q833 HydrophobicContact CG-CG 4.19Å; R186-Q833 WeakPolarHBondContact O-CG 3.24Å; R186-Q833 PolarHBondContact O-NE2 3.44Å; R186-Q833 PolarHBondContact O-OE1 3.01Å; E187-Q833 PolarHBondContact OE2-NE2 2.85Å; N189-Q833 HydrophobicContact CB-CB 4.31Å; R829-Q833 WeakPolarHBondContact O-CA 3.47Å; R829-Q833 WeakPolarHBondContact O-CG 3.49Å; R829-Q833 PolarHBondContact O-N 2.77Å; R829-Q833 PolarHBondContact O-NE2 3.11Å; T830-Q833 PolarHBondContact O-NE2 2.8Å; Q833-G835 PolarHBondContact O-N 3.33Å
834	L	91.1	Very high	93.8	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	15%	0.153	C	C	.	.			trans	-67.8	-22.1	178.5	-56.5	-176.4	0	0	0	112.1	L828 E832 I855 S857 Y863 L864 R867	L828-L834 HydrophobicContact CB-CD1 4.11Å; L828-L834 HydrophobicContact CD2-CD1 3.88Å; L828-L834 VanDerWaalsContact O-CB 3.26Å; L828-L834 WeakPolarHBondContact O-CB 3.38Å; L828-L834 VanDerWaalsContact O-CG 3.26Å; L828-L834 WeakPolarHBondContact O-CG 3.49Å; L828-L834 PolarHBondContact O-N 3.22Å; L828-L834 VanDerWaalsContact O-N 3.1Å; E832-L834 HydrophobicContact CB-CD2 4.15Å; E832-L834 HydrophobicContact CB-CG 3.97Å; E832-L834 PolarHBondContact O-N 3.5Å; E832-L834 VanDerWaalsContact O-N 3.16Å; L834-I855 HydrophobicContact CB-CG2 4.43Å; L834-I855 HydrophobicContact CD1-CD1 4.44Å; L834-S857 WeakPolarHBondContact O-CA 3.24Å; L834-S857 WeakPolarHBondContact O-CB 3.49Å; L834-S857 PolarHBondContact O-OG 3.42Å; L834-Y863 HydrophobicContact CD2-CD1 4.42Å; L834-Y863 HydrophobicContact CD2-CE1 3.69Å; L834-L864 HydrophobicContact CB-CD2 4.13Å; L834-L864 HydrophobicContact CD1-CD2 4.07Å; L834-L864 HydrophobicContact CD2-CD2 4.41Å; L834-L864 HydrophobicContact CG-CD2 4.44Å; L834-R867 HydrophobicContact CD1-CB 3.74Å; L834-R867 HydrophobicContact CD1-CG 3.91Å; L834-R867 HydrophobicContact CD2-CG 4.15Å
835	G	88	Confident	93.7	Very high	4 Å²	4	33.7 Å²	33.7	4%	0.041	16%	0.163	C	C	.	.			trans	157.5	171.6	172	0	0	0	0	0	112.7	Q833 I837	Q833-G835 PolarHBondContact O-N 3.33Å; G835-I837 PolarHBondContact O-N 3.21Å
836	Y	87.1	Confident	93.7	Very high	60 Å²	60	32 Å²	32	24%	0.235	16%	0.158	C	C	.	.	S	Bend	trans	-63.9	-39.7	-179.1	178.2	-92.1	0	0	0	113	A190 S193 E194 K197 R829 V838	A190-Y836 WeakPolarHBondContact O-CD2 3.42Å; S193-Y836 PolarHBondContact OG-N 3.48Å; E194-Y836 HydrophobicContact CB-CD2 3.71Å; E194-Y836 HydrophobicContact CB-CE2 3.88Å; E194-Y836 HydrophobicContact CB-CG 4.18Å; E194-Y836 HydrophobicContact CG-CE2 4.37Å; E194-Y836 WeakPolarHBondContact OE2-CE2 3.33Å; E194-Y836 PolarHBondContact OE2-OH 3.05Å; K197-Y836 HydrophobicContact CD-CD1 4.28Å; K197-Y836 HydrophobicContact CD-CE1 4.46Å; K197-Y836 VanDerWaalsContact NZ-CE1 3.26Å; R829-Y836 PolarHBondContact NH1-O 3.01Å; Y836-V838 PolarHBondContact O-N 3.35Å
837	I	94.6	Very high	93.7	Very high	31 Å²	31	32.4 Å²	32.4	16%	0.159	16%	0.163	C	C	.	.			trans	-92.9	101.8	-178.9	-52.4	-178.8	0	0	0	108.8	K197 H684 G835 I855 Q856	K197-I837 HydrophobicContact CD-CD1 4.14Å; K197-I837 HydrophobicContact CG-CD1 4.48Å; H684-I837 VanDerWaalsContact CE1-CD1 3.43Å; H684-I837 WeakPolarHBondContact CE1-CD1 3.34Å; H684-I837 WeakPolarHBondContact ND1-CD1 3.29Å; G835-I837 PolarHBondContact O-N 3.21Å; I837-I855 VanDerWaalsContact O-CA 3.31Å; I837-I855 WeakPolarHBondContact O-CA 3.38Å; I837-Q856 HydrophobicContact CB-CB 3.97Å; I837-Q856 HydrophobicContact CD1-CB 4.15Å; I837-Q856 HydrophobicContact CG1-CB 4.38Å; I837-Q856 PolarHBondContact O-N 2.81Å
838	V	97	Very high	93.8	Very high	14 Å²	14	31.2 Å²	31.2	9%	0.085	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	123.2	169	169.1	0	0	0	0	108	L828 R829 Y836 I855	L828-V838 HydrophobicContact CB-CG1 3.91Å; L828-V838 HydrophobicContact CB-CG2 4.35Å; R829-V838 HydrophobicContact CB-CB 4.16Å; R829-V838 HydrophobicContact CB-CG2 3.93Å; Y836-V838 PolarHBondContact O-N 3.35Å; V838-I855 HydrophobicContact CG2-CG1 4.45Å; V838-I855 HydrophobicContact CG2-CG2 4.23Å
839	F	98	Very high	93.9	Very high	88 Å²	88	31.2 Å²	31.2	39%	0.386	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.5	179.2	171.2	-86.8	0	0	0	111	R852 F853 I854	F839-R852 HydrophobicContact CE1-CG 4.4Å; F839-F853 CarbonylContact O-C 3.44Å; F839-F853 WeakPolarHBondContact O-CA 3.46Å; F839-I854 HydrophobicContact CB-CB 4.32Å; F839-I854 HydrophobicContact CD1-CB 4.41Å; F839-I854 HydrophobicContact CD1-CD1 3.93Å; F839-I854 HydrophobicContact CD1-CG1 4.32Å; F839-I854 HydrophobicContact CE1-CD1 4.46Å; F839-I854 PolarHBondContact N-O 2.7Å; F839-I854 PolarHBondContact O-N 3.31Å
840	S	98.1	Very high	94.2	Very high	13 Å²	13	30.1 Å²	30.1	9%	0.091	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.9	164.1	62.6	0	0	0	0	111.5	C824 R852	C824-S840 WeakPolarHBondContact CB-OG 3.42Å; C824-S840 VanDerWaalsContact SG-CB 3.58Å; C824-S840 PolarHBondContact SG-OG 2.83Å; S840-R852 VanDerWaalsContact CA-O 3.26Å; S840-R852 WeakPolarHBondContact CA-O 3.41Å
841	G	97.9	Very high	94.7	Very high	5 Å²	5	29.4 Å²	29.4	5%	0.052	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.4	-172.1	178.6	0	0	0	0	0	113.4	C817 R852	C817-G841 VanDerWaalsContact SG-C 3.54Å; G841-R852 PolarHBondContact N-O 3.39Å; G841-R852 VanDerWaalsContact N-O 3.09Å; G841-R852 WeakPolarHBondContact O-CG 3.19Å; G841-R852 PolarHBondContact O-N 3.05Å
842	P	98	Very high	95.1	Very high	49 Å²	49	26.9 Å²	26.9	32%	0.318	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	140.2	178.1	29.2	-34	0	0	0	111.7	L813 G850	L813-P842 HydrophobicContact CD2-CB 4Å; L813-P842 HydrophobicContact CG-CB 4.26Å; P842-G850 WeakPolarHBondContact CA-O 3.46Å
843	R	98.1	Very high	95.5	Very high	20 Å²	20	25.6 Å²	25.6	8%	0.075	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.9	158	-176.9	-179.2	164.8	-70.8	-3.3	107.5	E773 Y799 Q849 G850 R852	E773-R843 IonicContact OE1-CZ 3.27Å; E773-R843 IonicContact OE1-NH1 3.71Å; E773-R843 PolarHBondContact OE1-NH1 3.22Å; E773-R843 IonicContact OE2-CZ 3.48Å; E773-R843 IonicContact OE2-NH1 2.75Å; E773-R843 PolarHBondContact OE2-NH1 2.77Å; E773-R843 IonicContact OE2-NH2 3.48Å; E773-R843 PolarHBondContact OE2-NH2 3.22Å; Y799-R843 HydrophobicContact CD2-CB 4.12Å; Y799-R843 HydrophobicContact CD2-CG 4.5Å; Y799-R843 VanDerWaalsContact CE1-NH1 3.26Å; Y799-R843 HydrophobicContact CE2-CB 3.8Å; Y799-R843 HydrophobicContact CE2-CG 4.18Å; Y799-R843 PolarHBondContact OH-NH1 3.3Å; Y799-R843 VanDerWaalsContact OH-NH1 3.11Å; R843-Q849 CarbonylContact O-C 3.59Å; R843-Q849 WeakPolarHBondContact O-CA 3.47Å; R843-Q849 WeakPolarHBondContact O-CB 3.41Å; R843-G850 PolarHBondContact N-O 3.47Å; R843-G850 PolarHBondContact O-N 2.88Å; R843-R852 HydrophobicContact CB-CB 4.35Å; R843-R852 HydrophobicContact CB-CG 3.98Å
844	R	97.2	Very high	96	Very high	85 Å²	85	24.6 Å²	24.6	32%	0.321	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	121.8	175.5	-69.8	-177.4	174.5	-66.3	-14.7	108.6	Q805 N810 E814 Q849	Q805-R844 VanDerWaalsContact CD-NH1 3.34Å; N810-R844 PolarHBondContact OD1-NH1 3.04Å; N810-R844 PolarHBondContact OD1-NH2 3.3Å; E814-R844 IonicContact OE1-CZ 3.44Å; E814-R844 IonicContact OE1-NE 2.84Å; E814-R844 PolarHBondContact OE1-NE 2.92Å; E814-R844 IonicContact OE1-NH2 3.27Å; E814-R844 PolarHBondContact OE1-NH2 3.01Å; R844-Q849 HydrophobicContact CG-CB 4.28Å; R844-Q849 VanDerWaalsContact CZ-OE1 3.22Å
845	A	94.6	Very high	96.3	Very high	25 Å²	25	24.6 Å²	24.6	21%	0.207	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	144.3	177.1	0	0	0	0	0	110.3	G847 V848	A845-G847 PolarHBondContact O-N 2.9Å; A845-V848 PolarHBondContact N-O 2.84Å; A845-V848 VanDerWaalsContact N-O 3.12Å; A845-V848 CarbonylContact O-C 3.22Å; A845-V848 WeakPolarHBondContact O-CA 3.37Å; A845-V848 PolarHBondContact O-N 3.05Å; A845-V848 VanDerWaalsContact O-O 3.04Å
846	N	93.9	Very high	96.8	Very high	49 Å²	49	24.6 Å²	24.6	26%	0.262	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	27.1	170.7	-55	-14.1	0	0	0	116.4	Y771 R772 E773	Y771-N846 WeakPolarHBondContact O-CB 3.27Å; R772-N846 PolarHBondContact O-ND2 2.82Å; E773-N846 HydrophobicContact CB-CB 4.1Å
847	G	93.6	Very high	97.1	Very high	14 Å²	14	21.7 Å²	21.7	14%	0.144	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	0	-177.1	0	0	0	0	0	115.7	Q805 A845	Q805-G847 WeakPolarHBondContact CG-O 3.42Å; Q805-G847 PolarHBondContact N-O 3.09Å; A845-G847 PolarHBondContact O-N 2.9Å
848	V	96.7	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	162.4	175.8	179.9	0	0	0	0	109.9	E773 Q801 Q805 A845 F1007	E773-V848 HydrophobicContact CB-CB 4Å; E773-V848 HydrophobicContact CB-CG2 3.95Å; E773-V848 HydrophobicContact CG-CB 4.19Å; E773-V848 HydrophobicContact CG-CG1 4.23Å; E773-V848 HydrophobicContact CG-CG2 4.49Å; E773-V848 WeakPolarHBondContact OE1-CG1 3.31Å; Q801-V848 HydrophobicContact CG-CG1 4.04Å; Q805-V848 PolarHBondContact NE2-O 3.48Å; A845-V848 PolarHBondContact N-O 2.84Å; A845-V848 VanDerWaalsContact N-O 3.12Å; A845-V848 CarbonylContact O-C 3.22Å; A845-V848 WeakPolarHBondContact O-CA 3.37Å; A845-V848 PolarHBondContact O-N 3.05Å; A845-V848 VanDerWaalsContact O-O 3.04Å; V848-F1007 HydrophobicContact CG1-CD2 4.24Å; V848-F1007 HydrophobicContact CG1-CE2 3.98Å; V848-F1007 HydrophobicContact CG1-CZ 4.47Å; V848-F1007 HydrophobicContact CG2-CB 4.05Å; V848-F1007 HydrophobicContact CG2-CD1 4.43Å; V848-F1007 HydrophobicContact CG2-CD2 3.79Å; V848-F1007 HydrophobicContact CG2-CE2 4.3Å; V848-F1007 HydrophobicContact CG2-CG 3.87Å
849	Q	98.3	Very high	96.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	172.3	-179.6	59.9	-179.8	-12.9	0	0	113.2	Y799 T802 D803 M804 Q805 D809 N810 L813 R843 R844	Y799-Q849 PolarHBondContact OH-O 2.89Å; Y799-Q849 VanDerWaalsContact OH-O 3.04Å; T802-Q849 PolarHBondContact N-O 2.9Å; T802-Q849 PolarHBondContact OG1-O 3.09Å; D803-Q849 WeakPolarHBondContact O-CG 2.87Å; D803-Q849 PolarHBondContact O-N 3.18Å; M804-Q849 PolarHBondContact O-NE2 2.87Å; Q805-Q849 HydrophobicContact CG-CB 3.95Å; Q805-Q849 HydrophobicContact CG-CG 3.97Å; D809-Q849 PolarHBondContact O-NE2 3.13Å; N810-Q849 VanDerWaalsContact OD1-CD 3.28Å; N810-Q849 PolarHBondContact OD1-NE2 3.05Å; N810-Q849 PolarHBondContact OD1-OE1 3.23Å; L813-Q849 HydrophobicContact CD2-CB 3.85Å; L813-Q849 HydrophobicContact CD2-CG 3.95Å; R843-Q849 CarbonylContact O-C 3.59Å; R843-Q849 WeakPolarHBondContact O-CA 3.47Å; R843-Q849 WeakPolarHBondContact O-CB 3.41Å; R844-Q849 HydrophobicContact CG-CB 4.28Å; R844-Q849 VanDerWaalsContact CZ-OE1 3.22Å
850	G	98.4	Very high	96.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.6	176.3	170.1	0	0	0	0	0	112.6	Y800 P842 R843	Y800-G850 CarbonylContact O-C 3.52Å; Y800-G850 WeakPolarHBondContact O-CA 3.46Å; P842-G850 WeakPolarHBondContact CA-O 3.46Å; R843-G850 PolarHBondContact N-O 3.47Å; R843-G850 PolarHBondContact O-N 2.88Å
851	L	98.7	Very high	96.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	140.5	176.3	168.7	64.7	0	0	0	109.8	Y799 Y800 L813 F816 I820 F853 L872 L949	Y799-L851 WeakPolarHBondContact CD2-O 3.38Å; Y800-L851 HydrophobicContact CD2-CD2 4.35Å; Y800-L851 HydrophobicContact CD2-CG 4.36Å; Y800-L851 PolarHBondContact N-O 2.78Å; Y800-L851 PolarHBondContact O-N 3.01Å; L813-L851 HydrophobicContact CD1-CB 3.94Å; F816-L851 HydrophobicContact CD1-CD2 4.13Å; F816-L851 HydrophobicContact CE1-CD2 3.68Å; I820-L851 HydrophobicContact CD1-CD1 3.82Å; I820-L851 HydrophobicContact CD1-CD2 4.23Å; L851-F853 HydrophobicContact CD1-CE2 4.23Å; L851-F853 HydrophobicContact CD2-CE2 3.65Å; L851-F853 HydrophobicContact CD2-CZ 4.12Å; L851-F853 HydrophobicContact CG-CD2 4.43Å; L851-F853 HydrophobicContact CG-CE2 3.86Å; L851-L872 HydrophobicContact CD2-CD2 4.31Å; L851-L949 HydrophobicContact CB-CD2 4.41Å; L851-L949 HydrophobicContact CD2-CD1 4.11Å; L851-L949 HydrophobicContact CD2-CD2 4.25Å
852	R	98.6	Very high	95.7	Very high	49 Å²	49	26.7 Å²	26.7	19%	0.185	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.9	170.4	58.8	162.1	173.3	172.8	9.4	113.6	E797 I798 Y799 F839 S840 G841 R843	E797-R852 WeakPolarHBondContact OE1-CD 3.34Å; E797-R852 IonicContact OE1-CZ 3.7Å; E797-R852 IonicContact OE1-NE 3.1Å; E797-R852 IonicContact OE1-NH1 2.91Å; E797-R852 PolarHBondContact OE1-NH1 2.9Å; I798-R852 CarbonylContact O-C 3.57Å; I798-R852 WeakPolarHBondContact O-CA 3.45Å; Y799-R852 HydrophobicContact CD2-CB 4.46Å; F839-R852 HydrophobicContact CE1-CG 4.4Å; S840-R852 VanDerWaalsContact CA-O 3.26Å; S840-R852 WeakPolarHBondContact CA-O 3.41Å; G841-R852 PolarHBondContact N-O 3.39Å; G841-R852 VanDerWaalsContact N-O 3.09Å; G841-R852 WeakPolarHBondContact O-CG 3.19Å; G841-R852 PolarHBondContact O-N 3.05Å; R843-R852 HydrophobicContact CB-CB 4.35Å; R843-R852 HydrophobicContact CB-CG 3.98Å
853	F	98.8	Very high	95.4	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.009	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.1	167.4	-64.9	-97.3	0	0	0	109	E797 I798 Y800 I820 F839 L851 V868 F871 L872	E797-F853 CarbonylContact C-O 3.45Å; E797-F853 VanDerWaalsContact CA-O 3.29Å; E797-F853 WeakPolarHBondContact CA-O 3.44Å; I798-F853 PolarHBondContact N-O 3.16Å; I798-F853 PolarHBondContact O-N 2.96Å; Y800-F853 HydrophobicContact CD2-CD2 4.22Å; Y800-F853 HydrophobicContact CD2-CE2 4.17Å; Y800-F853 AromaticContact CE2-CD2 3.81Å; Y800-F853 HydrophobicContact CE2-CD2 3.81Å; Y800-F853 AromaticContact CE2-CE2 3.82Å; Y800-F853 HydrophobicContact CE2-CE2 3.82Å; I820-F853 HydrophobicContact CD1-CE1 4.09Å; I820-F853 HydrophobicContact CD1-CZ 3.72Å; F839-F853 CarbonylContact O-C 3.44Å; F839-F853 WeakPolarHBondContact O-CA 3.46Å; L851-F853 HydrophobicContact CD1-CE2 4.23Å; L851-F853 HydrophobicContact CD2-CE2 3.65Å; L851-F853 HydrophobicContact CD2-CZ 4.12Å; L851-F853 HydrophobicContact CG-CD2 4.43Å; L851-F853 HydrophobicContact CG-CE2 3.86Å; F853-V868 HydrophobicContact CB-CG1 4.34Å; F853-V868 HydrophobicContact CB-CG2 4.41Å; F853-V868 HydrophobicContact CD1-CG1 4Å; F853-V868 HydrophobicContact CD1-CG2 4.36Å; F853-V868 HydrophobicContact CD2-CG1 3.67Å; F853-V868 HydrophobicContact CE1-CG1 4.18Å; F853-V868 HydrophobicContact CE2-CG1 3.86Å; F853-V868 HydrophobicContact CG-CG1 3.74Å; F853-V868 HydrophobicContact CG-CG2 4.39Å; F853-V868 HydrophobicContact CZ-CG1 4.12Å; F853-F871 AromaticContact CE1-CD1 3.85Å; F853-F871 HydrophobicContact CE1-CD1 3.85Å; F853-F871 AromaticContact CE1-CE1 3.8Å; F853-F871 HydrophobicContact CE1-CE1 3.8Å; F853-F871 HydrophobicContact CZ-CD1 4.15Å; F853-F871 HydrophobicContact CZ-CE1 4.09Å; F853-L872 HydrophobicContact CE2-CD1 4.4Å; F853-L872 HydrophobicContact CE2-CD2 4.12Å; F853-L872 HydrophobicContact CE2-CG 4.41Å; F853-L872 HydrophobicContact CZ-CD2 3.84Å; F853-L872 HydrophobicContact CZ-CG 4.25Å
854	I	98.6	Very high	95.2	Very high	7 Å²	7	25.2 Å²	25.2	4%	0.036	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.8	173.2	-60.8	164.3	0	0	0	108.1	H684 M688 I796 E797 F839	H684-I854 HydrophobicContact CB-CG2 3.75Å; M688-I854 HydrophobicContact CG-CD1 3.86Å; M688-I854 HydrophobicContact SD-CD1 3.69Å; I796-I854 WeakPolarHBondContact O-CA 3.49Å; E797-I854 HydrophobicContact CB-CG1 4.1Å; E797-I854 HydrophobicContact CG-CD1 4.49Å; E797-I854 HydrophobicContact CG-CG1 3.69Å; F839-I854 HydrophobicContact CB-CB 4.32Å; F839-I854 HydrophobicContact CD1-CB 4.41Å; F839-I854 HydrophobicContact CD1-CD1 3.93Å; F839-I854 HydrophobicContact CD1-CG1 4.32Å; F839-I854 HydrophobicContact CE1-CD1 4.46Å; F839-I854 PolarHBondContact N-O 2.7Å; F839-I854 PolarHBondContact O-N 3.31Å
855	I	98.4	Very high	95	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142.5	177.2	-52.9	176.5	0	0	0	109.8	G795 I796 L828 L834 I837 V838 L864 V868	G795-I855 WeakPolarHBondContact CA-O 3.21Å; I796-I855 HydrophobicContact CG2-CB 3.81Å; I796-I855 HydrophobicContact CG2-CG1 4.45Å; I796-I855 PolarHBondContact N-O 2.9Å; I796-I855 PolarHBondContact O-N 3.04Å; L828-I855 HydrophobicContact CD1-CD1 4.18Å; L834-I855 HydrophobicContact CB-CG2 4.43Å; L834-I855 HydrophobicContact CD1-CD1 4.44Å; I837-I855 VanDerWaalsContact O-CA 3.31Å; I837-I855 WeakPolarHBondContact O-CA 3.38Å; V838-I855 HydrophobicContact CG2-CG1 4.45Å; V838-I855 HydrophobicContact CG2-CG2 4.23Å; I855-L864 HydrophobicContact CB-CD1 4.39Å; I855-L864 HydrophobicContact CG2-CD1 4.18Å; I855-L864 HydrophobicContact CG2-CD2 4.2Å; I855-V868 HydrophobicContact CD1-CG2 3.76Å
856	Q	97.4	Very high	94.8	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.019	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.8	163.9	-169.3	166.8	-59.7	0	0	109.6	P683 H684 H793 C794 I837	P683-Q856 HydrophobicContact CB-CG 4.37Å; P683-Q856 HydrophobicContact CG-CG 4.49Å; H684-Q856 HydrophobicContact CB-CB 4.38Å; H684-Q856 PolarHBondContact ND1-OE1 3.42Å; H793-Q856 HydrophobicContact CB-CG 4.17Å; C794-Q856 WeakPolarHBondContact O-CA 3.49Å; C794-Q856 WeakPolarHBondContact O-CG 3.22Å; I837-Q856 HydrophobicContact CB-CB 3.97Å; I837-Q856 HydrophobicContact CD1-CB 4.15Å; I837-Q856 HydrophobicContact CG1-CB 4.38Å; I837-Q856 PolarHBondContact O-N 2.81Å
857	S	94.3	Very high	94.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	156.1	-164.6	-168.1	0	0	0	0	112.9	H793 C794 L834 K859	H793-S857 CarbonylContact C-O 3.58Å; C794-S857 PolarHBondContact N-O 3.25Å; C794-S857 PolarHBondContact O-N 2.97Å; L834-S857 WeakPolarHBondContact O-CA 3.24Å; L834-S857 WeakPolarHBondContact O-CB 3.49Å; L834-S857 PolarHBondContact O-OG 3.42Å; S857-K859 VanDerWaalsContact C-N 3.27Å; S857-K859 WeakPolarHBondContact OG-CB 3.42Å; S857-K859 WeakPolarHBondContact OG-CG 3.36Å; S857-K859 PolarHBondContact OG-N 2.89Å
858	E	90.8	Very high	94.9	Very high	120 Å²	120	18.5 Å²	18.5	56%	0.561	9%	0.087	S	C	*	.	S	Bend	trans	-69.1	-24.3	158.7	49.4	149.1	-130.8	0	0	112.7
859	K	91.9	Very high	94.8	Very high	79 Å²	79	18.6 Å²	18.6	34%	0.343	9%	0.087	S	C	.	.	S	Bend	trans	-76.3	145.3	-177.4	-48	-57.7	-171.1	-165.8	0	111.6	C794 S857 Y863 L864	C794-K859 WeakPolarHBondContact CB-O 3.38Å; S857-K859 VanDerWaalsContact C-N 3.27Å; S857-K859 WeakPolarHBondContact OG-CB 3.42Å; S857-K859 WeakPolarHBondContact OG-CG 3.36Å; S857-K859 PolarHBondContact OG-N 2.89Å; K859-Y863 HydrophobicContact CB-CD1 3.74Å; K859-Y863 HydrophobicContact CB-CE1 4.38Å; K859-Y863 HydrophobicContact CB-CG 4.47Å; K859-Y863 HydrophobicContact CG-CD1 3.92Å; K859-Y863 HydrophobicContact CG-CE1 4.03Å; K859-L864 HydrophobicContact CB-CD2 4.09Å
860	A	92.3	Very high	94.5	Very high	16 Å²	16	18.7 Å²	18.7	13%	0.132	9%	0.088	C	C	.	.			trans	-61.8	144.6	177.5	0	0	0	0	0	112.8	H862 Y863 L864 M968	A860-H862 VanDerWaalsContact C-N 3.3Å; A860-H862 VanDerWaalsContact CB-CE1 3.49Å; A860-H862 WeakPolarHBondContact CB-CE1 3.42Å; A860-H862 WeakPolarHBondContact CB-ND1 3.47Å; A860-H862 PolarHBondContact O-N 2.77Å; A860-H862 VanDerWaalsContact O-N 3.14Å; A860-Y863 WeakPolarHBondContact O-CB 3.2Å; A860-Y863 PolarHBondContact O-N 2.88Å; A860-L864 PolarHBondContact O-N 2.94Å; A860-M968 HydrophobicContact CB-CE 3.68Å; A860-M968 HydrophobicContact CB-SD 3.65Å
861	P	93.2	Very high	94.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.8	-32.9	-175.6	-31.3	39.1	0	0	0	116	C794 I796 Y863 L864 E865 H962 L964	C794-P861 HydrophobicContact CB-CG 4.09Å; I796-P861 HydrophobicContact CD1-CB 4.23Å; P861-Y863 VanDerWaalsContact C-N 3.26Å; P861-Y863 PolarHBondContact O-N 3.04Å; P861-L864 PolarHBondContact O-N 2.88Å; P861-E865 PolarHBondContact O-N 2.76Å; P861-H962 HydrophobicContact CB-CB 3.81Å; P861-H962 VanDerWaalsContact CB-CG 3.46Å; P861-H962 HydrophobicContact CG-CB 4.01Å; P861-L964 HydrophobicContact CG-CD2 3.95Å
862	H	88.7	Confident	94.2	Very high	41 Å²	41	18.8 Å²	18.8	19%	0.19	9%	0.088	C	C	.	.	H	α-helix	trans	-63.7	-29.1	175.3	73.4	-87.2	0	0	0	113.6	A860 S866 C971 V974	A860-H862 VanDerWaalsContact C-N 3.3Å; A860-H862 VanDerWaalsContact CB-CE1 3.49Å; A860-H862 WeakPolarHBondContact CB-CE1 3.42Å; A860-H862 WeakPolarHBondContact CB-ND1 3.47Å; A860-H862 PolarHBondContact O-N 2.77Å; A860-H862 VanDerWaalsContact O-N 3.14Å; H862-S866 PolarHBondContact O-N 2.93Å; H862-C971 PolarHBondContact ND1-SG 2.99Å; H862-V974 HydrophobicContact CB-CB 4.36Å; H862-V974 HydrophobicContact CB-CG1 4.27Å; H862-V974 HydrophobicContact CB-CG2 3.89Å
863	Y	90.4	Very high	94	Very high	37 Å²	37	22.9 Å²	22.9	15%	0.145	10%	0.104	C	C	.	.	H	α-helix	trans	-73.4	-45.2	173.7	178.2	-94.6	0	0	0	109.9	L834 K859 A860 P861 E865 S866 R867	L834-Y863 HydrophobicContact CD2-CD1 4.42Å; L834-Y863 HydrophobicContact CD2-CE1 3.69Å; K859-Y863 HydrophobicContact CB-CD1 3.74Å; K859-Y863 HydrophobicContact CB-CE1 4.38Å; K859-Y863 HydrophobicContact CB-CG 4.47Å; K859-Y863 HydrophobicContact CG-CD1 3.92Å; K859-Y863 HydrophobicContact CG-CE1 4.03Å; A860-Y863 WeakPolarHBondContact O-CB 3.2Å; A860-Y863 PolarHBondContact O-N 2.88Å; P861-Y863 VanDerWaalsContact C-N 3.26Å; P861-Y863 PolarHBondContact O-N 3.04Å; Y863-E865 VanDerWaalsContact C-N 3.32Å; Y863-E865 PolarHBondContact O-N 3.24Å; Y863-S866 WeakPolarHBondContact O-CA 3.26Å; Y863-S866 WeakPolarHBondContact O-CB 3.37Å; Y863-S866 PolarHBondContact O-N 2.88Å; Y863-S866 PolarHBondContact O-OG 2.91Å; Y863-R867 HydrophobicContact CD1-CG 4.01Å; Y863-R867 HydrophobicContact CE1-CG 3.66Å; Y863-R867 WeakPolarHBondContact O-CG 3.22Å; Y863-R867 PolarHBondContact O-N 2.87Å
864	L	93.6	Very high	93.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.4	-42.2	176.3	-56.9	178.6	0	0	0	112	I796 L834 I855 K859 A860 P861 S866 R867 V868	I796-L864 HydrophobicContact CB-CD1 4.42Å; I796-L864 HydrophobicContact CG2-CB 4.08Å; I796-L864 HydrophobicContact CG2-CD1 3.64Å; L834-L864 HydrophobicContact CB-CD2 4.13Å; L834-L864 HydrophobicContact CD1-CD2 4.07Å; L834-L864 HydrophobicContact CD2-CD2 4.41Å; L834-L864 HydrophobicContact CG-CD2 4.44Å; I855-L864 HydrophobicContact CB-CD1 4.39Å; I855-L864 HydrophobicContact CG2-CD1 4.18Å; I855-L864 HydrophobicContact CG2-CD2 4.2Å; K859-L864 HydrophobicContact CB-CD2 4.09Å; A860-L864 PolarHBondContact O-N 2.94Å; P861-L864 PolarHBondContact O-N 2.88Å; L864-S866 PolarHBondContact O-N 2.72Å; L864-R867 PolarHBondContact O-N 3.39Å; L864-V868 WeakPolarHBondContact O-CG2 3.31Å; L864-V868 PolarHBondContact O-N 3.26Å
865	E	93.1	Very high	93.5	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-51.9	-52.8	169	-84	-78.6	-139.8	0	0	111.6	W781 I796 I798 P861 Y863 R867 V868 E869 K958 S960 H962 V974	W781-E865 VanDerWaalsContact CZ2-OE1 3.31Å; W781-E865 WeakPolarHBondContact CZ2-OE1 3.33Å; I796-E865 HydrophobicContact CD1-CG 3.77Å; I798-E865 HydrophobicContact CD1-CG 4.43Å; I798-E865 WeakPolarHBondContact CD1-OE2 3.41Å; P861-E865 PolarHBondContact O-N 2.76Å; Y863-E865 VanDerWaalsContact C-N 3.32Å; Y863-E865 PolarHBondContact O-N 3.24Å; E865-R867 VanDerWaalsContact C-N 3.26Å; E865-R867 PolarHBondContact O-N 3.39Å; E865-V868 PolarHBondContact O-N 2.91Å; E865-E869 WeakPolarHBondContact O-CB 3.43Å; E865-E869 WeakPolarHBondContact O-CG 3.48Å; E865-E869 PolarHBondContact O-N 3Å; E865-K958 VanDerWaalsContact OE1-CE 3.26Å; E865-K958 WeakPolarHBondContact OE1-CE 3.29Å; E865-K958 IonicContact OE1-NZ 3.5Å; E865-K958 PolarHBondContact OE1-NZ 2.97Å; E865-K958 VanDerWaalsContact OE1-NZ 3.09Å; E865-K958 VanDerWaalsContact OE2-CE 3.27Å; E865-K958 WeakPolarHBondContact OE2-CE 3.1Å; E865-K958 IonicContact OE2-NZ 3.57Å; E865-K958 PolarHBondContact OE2-NZ 3.36Å; E865-S960 VanDerWaalsContact OE1-CB 3.24Å; E865-S960 WeakPolarHBondContact OE1-CB 3.45Å; E865-S960 PolarHBondContact OE1-OG 3.4Å; E865-H962 IonicContact OE1-NE2 2.73Å; E865-V974 HydrophobicContact CB-CG1 3.9Å; E865-V974 HydrophobicContact CG-CG1 4.39Å
866	S	90.9	Very high	93.1	Very high	24 Å²	24	28.4 Å²	28.4	17%	0.168	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-33	-179.4	82.2	0	0	0	0	113.1	H862 Y863 L864 A870 A988	H862-S866 PolarHBondContact O-N 2.93Å; Y863-S866 WeakPolarHBondContact O-CA 3.26Å; Y863-S866 WeakPolarHBondContact O-CB 3.37Å; Y863-S866 PolarHBondContact O-N 2.88Å; Y863-S866 PolarHBondContact O-OG 2.91Å; L864-S866 PolarHBondContact O-N 2.72Å; S866-A870 VanDerWaalsContact O-CB 3.32Å; S866-A870 WeakPolarHBondContact O-CB 3.37Å; S866-A870 PolarHBondContact O-N 3.39Å; S866-A988 WeakPolarHBondContact O-CB 3.44Å
867	R	93.4	Very high	92.8	Very high	9 Å²	9	34.3 Å²	34.3	3%	0.034	16%	0.16	C	C	.	.	H	α-helix	trans	-74	-42.2	176.6	-60.7	-42	-52.9	150.4	9.2	112.2	L828 E832 L834 Y863 L864 E865 E869 A870 F871 A986	L828-R867 HydrophobicContact CD2-CB 4.04Å; E832-R867 IonicContact OE1-CZ 3.41Å; E832-R867 IonicContact OE1-NE 2.67Å; E832-R867 IonicContact OE1-NH2 2.7Å; E832-R867 PolarHBondContact OE1-NH2 2.76Å; E832-R867 IonicContact OE2-CZ 2.71Å; E832-R867 IonicContact OE2-NE 3.49Å; E832-R867 PolarHBondContact OE2-NE 3.25Å; E832-R867 IonicContact OE2-NH2 3.4Å; E832-R867 PolarHBondContact OE2-NH2 2.75Å; L834-R867 HydrophobicContact CD1-CB 3.74Å; L834-R867 HydrophobicContact CD1-CG 3.91Å; L834-R867 HydrophobicContact CD2-CG 4.15Å; Y863-R867 HydrophobicContact CD1-CG 4.01Å; Y863-R867 HydrophobicContact CE1-CG 3.66Å; Y863-R867 WeakPolarHBondContact O-CG 3.22Å; Y863-R867 PolarHBondContact O-N 2.87Å; L864-R867 PolarHBondContact O-N 3.39Å; E865-R867 VanDerWaalsContact C-N 3.26Å; E865-R867 PolarHBondContact O-N 3.39Å; R867-E869 VanDerWaalsContact C-N 3.32Å; R867-E869 PolarHBondContact O-N 3.24Å; R867-A870 PolarHBondContact O-N 2.89Å; R867-F871 WeakPolarHBondContact O-CB 3.32Å; R867-F871 PolarHBondContact O-N 3.22Å; R867-A986 PolarHBondContact NH1-O 2.93Å; R867-A986 PolarHBondContact NH2-O 2.82Å
868	V	96.1	Very high	92.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-38.5	174.8	171.4	0	0	0	0	111.3	I798 L828 F853 I855 L864 E865 F871 L872	I798-V868 HydrophobicContact CD1-CB 3.8Å; I798-V868 HydrophobicContact CD1-CG1 3.82Å; I798-V868 HydrophobicContact CD1-CG2 3.87Å; L828-V868 HydrophobicContact CD1-CG2 3.92Å; F853-V868 HydrophobicContact CB-CG1 4.34Å; F853-V868 HydrophobicContact CB-CG2 4.41Å; F853-V868 HydrophobicContact CD1-CG1 4Å; F853-V868 HydrophobicContact CD1-CG2 4.36Å; F853-V868 HydrophobicContact CD2-CG1 3.67Å; F853-V868 HydrophobicContact CE1-CG1 4.18Å; F853-V868 HydrophobicContact CE2-CG1 3.86Å; F853-V868 HydrophobicContact CG-CG1 3.74Å; F853-V868 HydrophobicContact CG-CG2 4.39Å; F853-V868 HydrophobicContact CZ-CG1 4.12Å; I855-V868 HydrophobicContact CD1-CG2 3.76Å; L864-V868 WeakPolarHBondContact O-CG2 3.31Å; L864-V868 PolarHBondContact O-N 3.26Å; E865-V868 PolarHBondContact O-N 2.91Å; V868-F871 WeakPolarHBondContact O-CB 3.41Å; V868-F871 PolarHBondContact O-N 3.48Å; V868-L872 WeakPolarHBondContact O-CG 3.49Å; V868-L872 PolarHBondContact O-N 3.48Å
869	E	94.5	Very high	92.8	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.009	15%	0.148	C	C	.	.	H	α-helix	trans	-69.8	-38	175.8	-65.1	-79.7	-157	0	0	112.2	Y800 E865 R867 F871 R873 R956 K958 P989 L991	Y800-E869 PolarHBondContact OH-OE1 2.56Å; E865-E869 WeakPolarHBondContact O-CB 3.43Å; E865-E869 WeakPolarHBondContact O-CG 3.48Å; E865-E869 PolarHBondContact O-N 3Å; R867-E869 VanDerWaalsContact C-N 3.32Å; R867-E869 PolarHBondContact O-N 3.24Å; E869-F871 VanDerWaalsContact C-N 3.35Å; E869-R873 WeakPolarHBondContact O-CB 3.24Å; E869-R873 PolarHBondContact O-N 2.75Å; E869-R873 VanDerWaalsContact O-N 3.13Å; E869-R956 IonicContact OE1-CZ 3.29Å; E869-R956 IonicContact OE1-NH1 3.36Å; E869-R956 PolarHBondContact OE1-NH1 2.53Å; E869-R956 IonicContact OE1-NH2 3.58Å; E869-R956 PolarHBondContact OE1-NH2 2.93Å; E869-R956 IonicContact OE2-CZ 3.35Å; E869-R956 IonicContact OE2-NH1 3.04Å; E869-R956 PolarHBondContact OE2-NH1 2.68Å; E869-R956 IonicContact OE2-NH2 2.72Å; E869-R956 PolarHBondContact OE2-NH2 3.09Å; E869-K958 IonicContact OE1-NZ 3.09Å; E869-K958 PolarHBondContact OE1-NZ 3.46Å; E869-P989 HydrophobicContact CB-CG 3.92Å; E869-L991 HydrophobicContact CB-CD2 4.18Å; E869-L991 HydrophobicContact CG-CD1 4.41Å; E869-L991 HydrophobicContact CG-CD2 3.81Å
870	A	92.8	Very high	92.8	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-63.9	-38.6	170.3	0	0	0	0	0	112.2	S866 R867 T874 A988	S866-A870 VanDerWaalsContact O-CB 3.32Å; S866-A870 WeakPolarHBondContact O-CB 3.37Å; S866-A870 PolarHBondContact O-N 3.39Å; R867-A870 PolarHBondContact O-N 2.89Å; A870-T874 WeakPolarHBondContact O-CB 3.3Å; A870-T874 PolarHBondContact O-N 3.2Å; A870-T874 PolarHBondContact O-OG1 2.93Å; A870-A988 HydrophobicContact CB-CB 4.46Å
871	F	95.9	Very high	93	Very high	1 Å²	1	36 Å²	36	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-65.1	-47.9	175.5	169	-104.2	0	0	0	111.9	I820 P823 C824 T827 L828 F853 R867 V868 E869 R873 T874 M875	I820-F871 HydrophobicContact CB-CE1 4.24Å; I820-F871 HydrophobicContact CB-CZ 4.08Å; I820-F871 HydrophobicContact CD1-CE1 4.32Å; P823-F871 VanDerWaalsContact C-CE2 3.47Å; P823-F871 HydrophobicContact CB-CE2 3.98Å; P823-F871 HydrophobicContact CB-CZ 4.21Å; P823-F871 WeakPolarHBondContact O-CE2 3.3Å; C824-F871 HydrophobicContact CB-CE1 3.81Å; C824-F871 HydrophobicContact CB-CE2 4.34Å; C824-F871 HydrophobicContact CB-CZ 3.61Å; T827-F871 HydrophobicContact CG2-CD2 4.12Å; L828-F871 HydrophobicContact CD1-CB 4.5Å; L828-F871 HydrophobicContact CD1-CD1 4.49Å; L828-F871 HydrophobicContact CD1-CG 4.44Å; L828-F871 HydrophobicContact CD2-CB 4.11Å; L828-F871 HydrophobicContact CG-CB 4.48Å; F853-F871 AromaticContact CE1-CD1 3.85Å; F853-F871 HydrophobicContact CE1-CD1 3.85Å; F853-F871 AromaticContact CE1-CE1 3.8Å; F853-F871 HydrophobicContact CE1-CE1 3.8Å; F853-F871 HydrophobicContact CZ-CD1 4.15Å; F853-F871 HydrophobicContact CZ-CE1 4.09Å; R867-F871 WeakPolarHBondContact O-CB 3.32Å; R867-F871 PolarHBondContact O-N 3.22Å; V868-F871 WeakPolarHBondContact O-CB 3.41Å; V868-F871 PolarHBondContact O-N 3.48Å; E869-F871 VanDerWaalsContact C-N 3.35Å; F871-R873 VanDerWaalsContact C-N 3.32Å; F871-R873 PolarHBondContact O-N 3.1Å; F871-T874 CarbonylContact O-C 3.55Å; F871-T874 WeakPolarHBondContact O-CA 3.28Å; F871-T874 WeakPolarHBondContact O-CB 3.49Å; F871-T874 PolarHBondContact O-N 3.33Å; F871-M875 HydrophobicContact CD1-CG 4.44Å; F871-M875 HydrophobicContact CD2-CG 4.16Å; F871-M875 HydrophobicContact CE1-CG 3.84Å; F871-M875 HydrophobicContact CE2-CG 3.52Å; F871-M875 HydrophobicContact CE2-SD 3.65Å; F871-M875 HydrophobicContact CZ-CG 3.34Å; F871-M875 HydrophobicContact CZ-SD 3.8Å; F871-M875 PolarHBondContact O-N 3.16Å
872	L	95.5	Very high	93	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-57.2	-45.3	176.5	-75.6	174.3	0	0	0	111.6	Y800 F816 L851 F853 V868 T874 M875 E876 Y945	Y800-L872 HydrophobicContact CE1-CD1 4.37Å; Y800-L872 HydrophobicContact CE2-CD1 3.92Å; F816-L872 HydrophobicContact CE1-CD2 4.44Å; F816-L872 HydrophobicContact CZ-CD2 4.33Å; L851-L872 HydrophobicContact CD2-CD2 4.31Å; F853-L872 HydrophobicContact CE2-CD1 4.4Å; F853-L872 HydrophobicContact CE2-CD2 4.12Å; F853-L872 HydrophobicContact CE2-CG 4.41Å; F853-L872 HydrophobicContact CZ-CD2 3.84Å; F853-L872 HydrophobicContact CZ-CG 4.25Å; V868-L872 WeakPolarHBondContact O-CG 3.49Å; V868-L872 PolarHBondContact O-N 3.48Å; L872-T874 VanDerWaalsContact C-N 3.28Å; L872-T874 PolarHBondContact O-N 3.02Å; L872-M875 PolarHBondContact O-N 3.48Å; L872-M875 VanDerWaalsContact O-N 3.11Å; L872-E876 PolarHBondContact O-N 3.08Å; L872-Y945 PolarHBondContact O-OH 3.38Å
873	R	92.8	Very high	93.4	Very high	135 Å²	135	38.6 Å²	38.6	51%	0.509	20%	0.196	S	C	.	.	H	α-helix	trans	-63	-31.7	174.3	-168.5	-177.5	-172.1	-169.8	5.8	113.3	E869 F871	E869-R873 WeakPolarHBondContact O-CB 3.24Å; E869-R873 PolarHBondContact O-N 2.75Å; E869-R873 VanDerWaalsContact O-N 3.13Å; F871-R873 VanDerWaalsContact C-N 3.32Å; F871-R873 PolarHBondContact O-N 3.1Å
874	T	93.2	Very high	93.7	Very high	64 Å²	64	41.6 Å²	41.6	39%	0.393	21%	0.212	S	C	.	.	H	α-helix	trans	-71.2	-37.6	173.7	-57.3	0	0	0	0	110.9	A870 F871 L872 K877 A878	A870-T874 WeakPolarHBondContact O-CB 3.3Å; A870-T874 PolarHBondContact O-N 3.2Å; A870-T874 PolarHBondContact O-OG1 2.93Å; F871-T874 CarbonylContact O-C 3.55Å; F871-T874 WeakPolarHBondContact O-CA 3.28Å; F871-T874 WeakPolarHBondContact O-CB 3.49Å; F871-T874 PolarHBondContact O-N 3.33Å; L872-T874 VanDerWaalsContact C-N 3.28Å; L872-T874 PolarHBondContact O-N 3.02Å; T874-K877 PolarHBondContact O-N 3.29Å; T874-A878 PolarHBondContact O-N 2.69Å
875	M	93.9	Very high	93.8	Very high	11 Å²	11	47.7 Å²	47.7	5%	0.054	24%	0.24	C	C	.	.	H	α-helix	trans	-69.5	-28.5	176.7	-69.3	-50.8	-55.4	0	0	113.7	I819 I820 P823 F871 L872 A878 L879	I819-M875 HydrophobicContact CG2-CE 4.12Å; I820-M875 HydrophobicContact CG2-CB 4.24Å; I820-M875 HydrophobicContact CG2-CE 4.08Å; I820-M875 HydrophobicContact CG2-CG 3.94Å; P823-M875 HydrophobicContact CB-CE 4.08Å; P823-M875 HydrophobicContact CB-SD 3.56Å; P823-M875 VanDerWaalsContact CB-SD 3.56Å; P823-M875 HydrophobicContact CG-CE 4.09Å; P823-M875 HydrophobicContact CG-SD 4.22Å; F871-M875 HydrophobicContact CD1-CG 4.44Å; F871-M875 HydrophobicContact CD2-CG 4.16Å; F871-M875 HydrophobicContact CE1-CG 3.84Å; F871-M875 HydrophobicContact CE2-CG 3.52Å; F871-M875 HydrophobicContact CE2-SD 3.65Å; F871-M875 HydrophobicContact CZ-CG 3.34Å; F871-M875 HydrophobicContact CZ-SD 3.8Å; F871-M875 PolarHBondContact O-N 3.16Å; L872-M875 PolarHBondContact O-N 3.48Å; L872-M875 VanDerWaalsContact O-N 3.11Å; M875-A878 HydrophobicContact CE-CB 3.97Å; M875-A878 PolarHBondContact O-N 3.17Å; M875-A878 HydrophobicContact SD-CB 4.22Å; M875-L879 WeakPolarHBondContact O-CB 3.2Å; M875-L879 VanDerWaalsContact O-CG 3.29Å; M875-L879 WeakPolarHBondContact O-CG 3.31Å; M875-L879 PolarHBondContact O-N 3.41Å
876	E	91	Very high	93.9	Very high	51 Å²	51	48.7 Å²	48.7	24%	0.238	25%	0.248	C	C	.	.	H	α-helix	trans	-54.2	-54.4	169.9	-177.2	162	-155	0	0	111.3	L872 A878 L879 E880 M942 Y945	L872-E876 PolarHBondContact O-N 3.08Å; E876-A878 VanDerWaalsContact C-N 3.34Å; E876-A878 PolarHBondContact O-N 3.01Å; E876-L879 PolarHBondContact O-N 3.32Å; E876-E880 PolarHBondContact O-N 3.15Å; E876-M942 HydrophobicContact CG-CE 4.24Å; E876-Y945 HydrophobicContact CB-CD1 4.48Å; E876-Y945 HydrophobicContact CB-CE1 3.54Å; E876-Y945 VanDerWaalsContact CD-CE1 3.44Å; E876-Y945 HydrophobicContact CG-CD1 4.35Å; E876-Y945 HydrophobicContact CG-CE1 3.58Å; E876-Y945 PolarHBondContact OE2-OH 3.13Å
877	K	90.2	Very high	94.2	Very high	129 Å²	129	47.5 Å²	47.5	56%	0.561	24%	0.24	S	C	*	.	H	α-helix	trans	-64.6	-39.5	176.9	-169.5	-176.7	-179.6	-150.9	0	111.9	T874 L879 E880 D881	T874-K877 PolarHBondContact O-N 3.29Å; K877-L879 VanDerWaalsContact C-N 3.27Å; K877-L879 PolarHBondContact O-N 3.36Å; K877-E880 PolarHBondContact O-N 2.95Å; K877-E880 VanDerWaalsContact O-N 3.15Å; K877-D881 WeakPolarHBondContact CE-OD2 3.46Å; K877-D881 IonicContact NZ-OD2 3.85Å; K877-D881 WeakPolarHBondContact O-CB 3.46Å; K877-D881 PolarHBondContact O-N 2.8Å
878	A	92.4	Very high	94.4	Very high	39 Å²	39	51 Å²	51	32%	0.322	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-36.4	177.6	0	0	0	0	0	112.3	T874 M875 E876 M882	T874-A878 PolarHBondContact O-N 2.69Å; M875-A878 HydrophobicContact CE-CB 3.97Å; M875-A878 PolarHBondContact O-N 3.17Å; M875-A878 HydrophobicContact SD-CB 4.22Å; E876-A878 VanDerWaalsContact C-N 3.34Å; E876-A878 PolarHBondContact O-N 3.01Å; A878-M882 VanDerWaalsContact O-CB 3.23Å; A878-M882 WeakPolarHBondContact O-CB 3.44Å; A878-M882 PolarHBondContact O-N 3.3Å
879	L	93	Very high	94.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.2	-39.7	173	-73	162.3	0	0	0	111.9	F816 I819 M875 E876 K877 M882 K938 I941 M942	F816-L879 HydrophobicContact CD2-CD1 4.35Å; F816-L879 HydrophobicContact CE2-CD1 3.84Å; I819-L879 HydrophobicContact CD1-CD2 3.94Å; I819-L879 HydrophobicContact CG2-CD2 3.79Å; M875-L879 WeakPolarHBondContact O-CB 3.2Å; M875-L879 VanDerWaalsContact O-CG 3.29Å; M875-L879 WeakPolarHBondContact O-CG 3.31Å; M875-L879 PolarHBondContact O-N 3.41Å; E876-L879 PolarHBondContact O-N 3.32Å; K877-L879 VanDerWaalsContact C-N 3.27Å; K877-L879 PolarHBondContact O-N 3.36Å; L879-M882 PolarHBondContact O-N 3.14Å; L879-K938 VanDerWaalsContact O-CD 3.31Å; L879-K938 WeakPolarHBondContact O-CD 3.33Å; L879-K938 VanDerWaalsContact O-CE 3.25Å; L879-K938 WeakPolarHBondContact O-CE 3.26Å; L879-K938 PolarHBondContact O-NZ 3.23Å; L879-I941 HydrophobicContact CD1-CG2 4.5Å; L879-I941 HydrophobicContact CD2-CG2 4.15Å; L879-M942 HydrophobicContact CB-SD 3.4Å; L879-M942 WeakPolarHBondContact CB-SD 3.27Å; L879-M942 HydrophobicContact CD1-SD 4.08Å; L879-M942 HydrophobicContact CG-SD 4.33Å
880	E	92.8	Very high	94.5	Very high	93 Å²	93	54.5 Å²	54.5	44%	0.435	27%	0.272	S	S	.	.	H	α-helix	trans	-64.6	-45.4	175.6	-69.7	-175.3	163.5	0	0	112.2	E876 K877 K938 M942 R946	E876-E880 PolarHBondContact O-N 3.15Å; K877-E880 PolarHBondContact O-N 2.95Å; K877-E880 VanDerWaalsContact O-N 3.15Å; E880-K938 PolarHBondContact O-NZ 2.72Å; E880-M942 HydrophobicContact CG-CE 3.47Å; E880-M942 VanDerWaalsContact CG-CE 3.47Å; E880-M942 HydrophobicContact CG-SD 4.19Å; E880-M942 WeakPolarHBondContact OE1-CE 3.44Å; E880-R946 IonicContact OE1-CZ 2.87Å; E880-R946 IonicContact OE1-NH2 3.52Å; E880-R946 PolarHBondContact OE1-NH2 2.94Å
881	D	94.8	Very high	94.8	Very high	117 Å²	117	54.6 Å²	54.6	63%	0.626	27%	0.273	S	S	*	.	H	α-helix	trans	-75.2	-18.9	178.7	-72.8	-20.9	0	0	0	113.4	K877 S883	K877-D881 WeakPolarHBondContact CE-OD2 3.46Å; K877-D881 IonicContact NZ-OD2 3.85Å; K877-D881 WeakPolarHBondContact O-CB 3.46Å; K877-D881 PolarHBondContact O-N 2.8Å; D881-S883 PolarHBondContact O-N 3.41Å
882	M	95	Very high	94.9	Very high	31 Å²	31	58.1 Å²	58.1	15%	0.153	29%	0.289	C	S	.	.			trans	-59.8	132.8	-178	178.5	178.8	-73.2	0	0	112.8	I819 A878 L879 A886 F887 K938	I819-M882 HydrophobicContact CG2-CE 3.78Å; A878-M882 VanDerWaalsContact O-CB 3.23Å; A878-M882 WeakPolarHBondContact O-CB 3.44Å; A878-M882 PolarHBondContact O-N 3.3Å; L879-M882 PolarHBondContact O-N 3.14Å; M882-A886 HydrophobicContact CG-CB 3.83Å; M882-A886 HydrophobicContact SD-CB 4.46Å; M882-F887 HydrophobicContact CG-CB 4.4Å; M882-F887 HydrophobicContact SD-CB 3.86Å; M882-F887 HydrophobicContact SD-CD2 4.09Å; M882-K938 HydrophobicContact CB-CD 4.4Å; M882-K938 PolarHBondContact O-NZ 2.95Å
883	S	96.9	Very high	94.9	Very high	66 Å²	66	58.1 Å²	58.1	46%	0.462	29%	0.289	S	S	.	.			trans	-73.7	152.9	173.2	70.2	0	0	0	0	112.2	D881 E885 A886 F887	D881-S883 PolarHBondContact O-N 3.41Å; S883-E885 PolarHBondContact O-N 3.34Å; S883-A886 PolarHBondContact O-N 3.47Å; S883-A886 VanDerWaalsContact O-N 3.11Å; S883-A886 PolarHBondContact OG-N 3.21Å; S883-F887 PolarHBondContact O-N 3.37Å
884	E	96.1	Very high	95.2	Very high	100 Å²	100	52.3 Å²	52.3	47%	0.467	27%	0.268	S	S	.	.	H	α-helix	trans	-59.5	-34.2	176.5	-172.2	58.1	-147.3	0	0	111.8	A886 F887 Q888	E884-A886 PolarHBondContact O-N 2.95Å; E884-F887 PolarHBondContact O-N 3.37Å; E884-Q888 HydrophobicContact CG-CG 4.38Å; E884-Q888 WeakPolarHBondContact O-CB 3.45Å; E884-Q888 VanDerWaalsContact O-CG 3.28Å; E884-Q888 WeakPolarHBondContact O-CG 3.2Å; E884-Q888 PolarHBondContact O-N 2.77Å; E884-Q888 PolarHBondContact OE1-NE2 3.03Å
885	E	96	Very high	95.4	Very high	127 Å²	127	49.3 Å²	49.3	59%	0.593	25%	0.25	S	S	*	.	H	α-helix	trans	-61	-44.1	174.7	-168.5	-159.6	131.2	0	0	112.1	S883 Q888 K889	S883-E885 PolarHBondContact O-N 3.34Å; E885-Q888 PolarHBondContact O-N 2.9Å; E885-K889 WeakPolarHBondContact O-CG 3.18Å; E885-K889 PolarHBondContact O-N 3.42Å; E885-K889 WeakPolarHBondContact OE1-CE 3.14Å; E885-K889 IonicContact OE1-NZ 2.36Å; E885-K889 PolarHBondContact OE1-NZ 3.05Å
886	A	94.4	Very high	95.5	Very high	21 Å²	21	50 Å²	50	17%	0.174	25%	0.254	C	S	.	.	H	α-helix	trans	-67.4	-40.1	176.7	0	0	0	0	0	111.5	M882 S883 E884 Q888 K889 H890	M882-A886 HydrophobicContact CG-CB 3.83Å; M882-A886 HydrophobicContact SD-CB 4.46Å; S883-A886 PolarHBondContact O-N 3.47Å; S883-A886 VanDerWaalsContact O-N 3.11Å; S883-A886 PolarHBondContact OG-N 3.21Å; E884-A886 PolarHBondContact O-N 2.95Å; A886-Q888 PolarHBondContact O-N 3.28Å; A886-K889 WeakPolarHBondContact O-CB 3.49Å; A886-K889 PolarHBondContact O-N 3.46Å; A886-H890 PolarHBondContact O-CD2 3.24Å; A886-H890 PolarHBondContact O-N 3.33Å; A886-H890 VanDerWaalsContact O-N 3.12Å
887	F	97.6	Very high	95.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.5	-44.6	174.7	-174.7	-105.8	0	0	0	112	L815 I819 M882 S883 E884 K889 H890 I891 T937 K938 I941	L815-F887 HydrophobicContact CD2-CE2 4.06Å; L815-F887 HydrophobicContact CD2-CZ 3.74Å; I819-F887 HydrophobicContact CD1-CD2 4.05Å; I819-F887 HydrophobicContact CD1-CE2 3.9Å; M882-F887 HydrophobicContact CG-CB 4.4Å; M882-F887 HydrophobicContact SD-CB 3.86Å; M882-F887 HydrophobicContact SD-CD2 4.09Å; S883-F887 PolarHBondContact O-N 3.37Å; E884-F887 PolarHBondContact O-N 3.37Å; F887-K889 VanDerWaalsContact C-N 3.34Å; F887-K889 PolarHBondContact O-N 2.8Å; F887-H890 PolarHBondContact O-N 2.76Å; F887-I891 HydrophobicContact CD1-CD1 3.98Å; F887-I891 HydrophobicContact CE1-CD1 3.48Å; F887-I891 VanDerWaalsContact CE1-CD1 3.48Å; F887-I891 HydrophobicContact CE1-CG1 4.36Å; F887-I891 HydrophobicContact CZ-CD1 4.08Å; F887-I891 PolarHBondContact O-N 2.71Å; F887-T937 VanDerWaalsContact CE1-C 3.46Å; F887-T937 VanDerWaalsContact CZ-C 3.4Å; F887-K938 HydrophobicContact CD1-CB 4.33Å; F887-K938 HydrophobicContact CD2-CB 4.25Å; F887-K938 HydrophobicContact CD2-CG 4.06Å; F887-K938 HydrophobicContact CE1-CB 4.39Å; F887-K938 VanDerWaalsContact CE1-N 3.32Å; F887-K938 HydrophobicContact CE2-CB 4.3Å; F887-K938 HydrophobicContact CE2-CG 4.31Å; F887-K938 HydrophobicContact CG-CB 4.27Å; F887-K938 HydrophobicContact CG-CG 4.38Å; F887-K938 HydrophobicContact CZ-CB 4.38Å; F887-I941 HydrophobicContact CE2-CB 4.41Å; F887-I941 HydrophobicContact CE2-CG1 3.97Å; F887-I941 HydrophobicContact CZ-CG1 4.02Å
888	Q	97.5	Very high	95.9	Very high	82 Å²	82	47.1 Å²	47.1	38%	0.383	24%	0.237	S	C	.	.	H	α-helix	trans	-66.6	-30.8	175.7	-67.3	-60.4	-32.2	0	0	113	E884 E885 A886 I891 Q892	E884-Q888 HydrophobicContact CG-CG 4.38Å; E884-Q888 WeakPolarHBondContact O-CB 3.45Å; E884-Q888 VanDerWaalsContact O-CG 3.28Å; E884-Q888 WeakPolarHBondContact O-CG 3.2Å; E884-Q888 PolarHBondContact O-N 2.77Å; E884-Q888 PolarHBondContact OE1-NE2 3.03Å; E885-Q888 PolarHBondContact O-N 2.9Å; A886-Q888 PolarHBondContact O-N 3.28Å; Q888-I891 PolarHBondContact O-N 3.07Å; Q888-Q892 WeakPolarHBondContact O-CB 3.32Å; Q888-Q892 PolarHBondContact O-N 2.72Å
889	K	95.9	Very high	96.1	Very high	60 Å²	60	48.5 Å²	48.5	26%	0.261	24%	0.239	S	C	.	.	H	α-helix	trans	-61.9	-45.1	168.9	-73.7	172.1	-169.7	164.6	0	111.7	E885 A886 F887 I891 Q892 A893	E885-K889 WeakPolarHBondContact O-CG 3.18Å; E885-K889 PolarHBondContact O-N 3.42Å; E885-K889 WeakPolarHBondContact OE1-CE 3.14Å; E885-K889 IonicContact OE1-NZ 2.36Å; E885-K889 PolarHBondContact OE1-NZ 3.05Å; A886-K889 WeakPolarHBondContact O-CB 3.49Å; A886-K889 PolarHBondContact O-N 3.46Å; F887-K889 VanDerWaalsContact C-N 3.34Å; F887-K889 PolarHBondContact O-N 2.8Å; K889-I891 PolarHBondContact O-N 3.47Å; K889-Q892 PolarHBondContact O-N 3.29Å; K889-A893 VanDerWaalsContact O-CB 3.24Å; K889-A893 WeakPolarHBondContact O-CB 3.29Å; K889-A893 PolarHBondContact O-N 3.06Å
890	H	97.9	Very high	96.2	Very high	15 Å²	15	51 Å²	51	7%	0.069	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-40.2	174.8	-70.2	-79.9	0	0	0	112.4	L815 Q818 I819 A886 F887 A893 L894	L815-H890 HydrophobicContact CD1-CB 4.09Å; Q818-H890 HydrophobicContact CG-CB 4.05Å; Q818-H890 WeakPolarHBondContact CG-O 3.3Å; Q818-H890 PolarHBondContact O-ND1 2.93Å; I819-H890 HydrophobicContact CG1-CB 3.76Å; A886-H890 PolarHBondContact O-CD2 3.24Å; A886-H890 PolarHBondContact O-N 3.33Å; A886-H890 VanDerWaalsContact O-N 3.12Å; F887-H890 PolarHBondContact O-N 2.76Å; H890-A893 PolarHBondContact O-N 3.33Å; H890-L894 PolarHBondContact O-N 3.46Å
891	I	98.2	Very high	96.3	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-58.8	-50.2	172.7	-78.2	175.1	0	0	0	111.4	L815 F887 Q888 K889 L894 A895 L933 K934	L815-I891 HydrophobicContact CD1-CG1 3.87Å; L815-I891 HydrophobicContact CD2-CD1 4.14Å; L815-I891 HydrophobicContact CD2-CG1 3.67Å; L815-I891 HydrophobicContact CG-CG1 4.46Å; F887-I891 HydrophobicContact CD1-CD1 3.98Å; F887-I891 HydrophobicContact CE1-CD1 3.48Å; F887-I891 VanDerWaalsContact CE1-CD1 3.48Å; F887-I891 HydrophobicContact CE1-CG1 4.36Å; F887-I891 HydrophobicContact CZ-CD1 4.08Å; F887-I891 PolarHBondContact O-N 2.71Å; Q888-I891 PolarHBondContact O-N 3.07Å; K889-I891 PolarHBondContact O-N 3.47Å; I891-L894 PolarHBondContact O-N 3.24Å; I891-A895 WeakPolarHBondContact O-CB 3.33Å; I891-A895 PolarHBondContact O-N 3.32Å; I891-L933 HydrophobicContact CG1-CD1 4.43Å; I891-L933 HydrophobicContact CG2-CG 4.35Å; I891-K934 HydrophobicContact CG2-CG 4.13Å
892	Q	97.2	Very high	96.4	Very high	75 Å²	75	47.2 Å²	47.2	35%	0.35	23%	0.233	S	C	.	.	H	α-helix	trans	-67.5	-37	-179.2	-178.8	65.6	-5.5	0	0	111.9	Q888 K889 A895 I896	Q888-Q892 WeakPolarHBondContact O-CB 3.32Å; Q888-Q892 PolarHBondContact O-N 2.72Å; K889-Q892 PolarHBondContact O-N 3.29Å; Q892-A895 PolarHBondContact O-N 2.91Å; Q892-I896 HydrophobicContact CG-CD1 3.95Å; Q892-I896 VanDerWaalsContact O-CG1 3.29Å; Q892-I896 WeakPolarHBondContact O-CG1 3.35Å; Q892-I896 PolarHBondContact O-N 2.85Å
893	A	96.7	Very high	96.5	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-45.2	175.4	0	0	0	0	0	112.2	A140 K889 H890 R897	A140-A893 HydrophobicContact CB-CB 4.42Å; A140-A893 WeakPolarHBondContact CB-O 3.39Å; K889-A893 VanDerWaalsContact O-CB 3.24Å; K889-A893 WeakPolarHBondContact O-CB 3.29Å; K889-A893 PolarHBondContact O-N 3.06Å; H890-A893 PolarHBondContact O-N 3.33Å; A893-R897 WeakPolarHBondContact O-CB 3.44Å; A893-R897 VanDerWaalsContact O-CG 3.27Å; A893-R897 WeakPolarHBondContact O-CG 3.24Å; A893-R897 PolarHBondContact O-N 3.04Å
894	L	97.8	Very high	96.4	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.063	22%	0.224	C	C	.	.	H	α-helix	trans	-68	-41.4	175	178.7	60.1	0	0	0	111.6	E814 L815 Q818 H890 I891 I896 R897 R898 L933	E814-L894 HydrophobicContact CB-CD1 4.29Å; E814-L894 HydrophobicContact CB-CD2 3.81Å; L815-L894 HydrophobicContact CB-CD2 4.18Å; Q818-L894 HydrophobicContact CB-CB 4.31Å; Q818-L894 HydrophobicContact CG-CB 4.05Å; H890-L894 PolarHBondContact O-N 3.46Å; I891-L894 PolarHBondContact O-N 3.24Å; L894-I896 VanDerWaalsContact C-N 3.32Å; L894-I896 PolarHBondContact O-N 3.17Å; L894-R897 PolarHBondContact O-N 3.46Å; L894-R898 HydrophobicContact CD1-CG 3.98Å; L894-R898 HydrophobicContact CG-CG 4.37Å; L894-R898 WeakPolarHBondContact O-CB 3.2Å; L894-R898 WeakPolarHBondContact O-CG 3.22Å; L894-R898 PolarHBondContact O-N 3.39Å; L894-L933 HydrophobicContact CB-CD2 3.99Å; L894-L933 HydrophobicContact CD2-CD1 3.84Å; L894-L933 HydrophobicContact CD2-CD2 3.79Å; L894-L933 HydrophobicContact CD2-CG 4.49Å; L894-L933 HydrophobicContact CG-CD2 3.75Å
895	A	97.9	Very high	96.5	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.017	21%	0.205	C	C	.	.	H	α-helix	trans	-56.1	-45	175.6	0	0	0	0	0	112	I891 Q892 R898 L899 V930 L933	I891-A895 WeakPolarHBondContact O-CB 3.33Å; I891-A895 PolarHBondContact O-N 3.32Å; Q892-A895 PolarHBondContact O-N 2.91Å; A895-R898 PolarHBondContact O-N 2.94Å; A895-L899 WeakPolarHBondContact O-CB 3.46Å; A895-L899 WeakPolarHBondContact O-CG 3.1Å; A895-L899 PolarHBondContact O-N 3.28Å; A895-V930 HydrophobicContact CB-CG1 3.54Å; A895-L933 HydrophobicContact CB-CD2 4.3Å
896	I	95.9	Very high	96.5	Very high	26 Å²	26	38.7 Å²	38.7	13%	0.133	19%	0.187	C	C	.	.	H	α-helix	trans	-68.5	-42.8	176.4	-66.1	164.1	0	0	0	111.1	A140 S159 Q892 L894 R898 L899 D900	A140-I896 HydrophobicContact CB-CB 3.74Å; A140-I896 HydrophobicContact CB-CD1 4.4Å; A140-I896 HydrophobicContact CB-CG2 3.6Å; S159-I896 WeakPolarHBondContact OG-CD1 3.13Å; Q892-I896 HydrophobicContact CG-CD1 3.95Å; Q892-I896 VanDerWaalsContact O-CG1 3.29Å; Q892-I896 WeakPolarHBondContact O-CG1 3.35Å; Q892-I896 PolarHBondContact O-N 2.85Å; L894-I896 VanDerWaalsContact C-N 3.32Å; L894-I896 PolarHBondContact O-N 3.17Å; I896-R898 PolarHBondContact O-N 2.84Å; I896-L899 PolarHBondContact O-N 3Å; I896-D900 PolarHBondContact O-N 3.4Å
897	R	94.4	Very high	96.7	Very high	85 Å²	85	38.7 Å²	38.7	32%	0.321	19%	0.188	S	C	.	.	H	α-helix	trans	-60	-29.5	175.5	-76.5	171.6	171.1	-171.7	-3.6	112.9	A140 G141 A893 L894	A140-R897 HydrophobicContact CB-CG 4.13Å; A140-R897 PolarHBondContact O-NE 2.89Å; G141-R897 PolarHBondContact O-NH2 2.57Å; A893-R897 WeakPolarHBondContact O-CB 3.44Å; A893-R897 VanDerWaalsContact O-CG 3.27Å; A893-R897 WeakPolarHBondContact O-CG 3.24Å; A893-R897 PolarHBondContact O-N 3.04Å; L894-R897 PolarHBondContact O-N 3.46Å
898	R	95.8	Very high	96.7	Very high	33 Å²	33	39.1 Å²	39.1	13%	0.125	19%	0.19	C	C	.	.	H	α-helix	trans	-85.9	-37.9	177	-70.8	-63.2	-57.1	-92.6	-12.7	113.8	E814 L894 A895 I896 D926 E929 V930	E814-R898 IonicContact OE1-NH1 3.65Å; E814-R898 IonicContact OE2-CZ 3.65Å; E814-R898 IonicContact OE2-NH1 3.35Å; E814-R898 PolarHBondContact OE2-NH1 3.28Å; L894-R898 HydrophobicContact CD1-CG 3.98Å; L894-R898 HydrophobicContact CG-CG 4.37Å; L894-R898 WeakPolarHBondContact O-CB 3.2Å; L894-R898 WeakPolarHBondContact O-CG 3.22Å; L894-R898 PolarHBondContact O-N 3.39Å; A895-R898 PolarHBondContact O-N 2.94Å; I896-R898 PolarHBondContact O-N 2.84Å; R898-D926 IonicContact CZ-OD1 2.71Å; R898-D926 VanDerWaalsContact CZ-OD1 3.23Å; R898-D926 IonicContact NE-OD1 2.8Å; R898-D926 PolarHBondContact NE-OD1 2.82Å; R898-D926 IonicContact NH2-OD1 3.07Å; R898-D926 PolarHBondContact NH2-OD1 3.21Å; R898-E929 IonicContact CZ-OE2 3.2Å; R898-E929 VanDerWaalsContact CZ-OE2 3.24Å; R898-E929 IonicContact NH1-OE2 2.62Å; R898-E929 PolarHBondContact NH1-OE2 3.44Å; R898-E929 IonicContact NH2-OE2 3.83Å; R898-E929 PolarHBondContact NH2-OE2 3.46Å; R898-V930 HydrophobicContact CB-CG2 3.6Å; R898-V930 HydrophobicContact CG-CG2 4.25Å
899	L	96.9	Very high	96.7	Very high	69 Å²	69	35.3 Å²	35.3	36%	0.361	17%	0.172	S	C	.	.	H	α-helix	trans	-86	-4.5	-179	-64.8	175.4	0	0	0	114.5	A895 I896 K901 D926 V930	A895-L899 WeakPolarHBondContact O-CB 3.46Å; A895-L899 WeakPolarHBondContact O-CG 3.1Å; A895-L899 PolarHBondContact O-N 3.28Å; I896-L899 PolarHBondContact O-N 3Å; L899-K901 PolarHBondContact O-N 2.99Å; L899-D926 HydrophobicContact CD2-CB 4.11Å; L899-V930 HydrophobicContact CD1-CG1 3.94Å; L899-V930 HydrophobicContact CD2-CG2 4.46Å; L899-V930 HydrophobicContact CG-CB 4.46Å; L899-V930 HydrophobicContact CG-CG1 4.34Å; L899-V930 HydrophobicContact CG-CG2 4.22Å
900	D	93.8	Very high	96.8	Very high	53 Å²	53	35.3 Å²	35.3	28%	0.283	18%	0.183	S	C	.	.			trans	-50.7	114.6	175.6	-178.5	28.7	0	0	0	111.5	I896 K903	I896-D900 PolarHBondContact O-N 3.4Å; D900-K903 IonicContact OD1-NZ 3.98Å; D900-K903 PolarHBondContact OD1-NZ 3.23Å
901	K	95.7	Very high	96.8	Very high	94 Å²	94	38.6 Å²	38.6	41%	0.409	20%	0.197	S	C	.	.			trans	-69.8	135	-171.2	-59.7	-175.4	-61.8	-79.3	0	110	T87 D89 L899 K903	T87-K901 WeakPolarHBondContact O-CE 3.34Å; T87-K901 PolarHBondContact O-NZ 2.8Å; D89-K901 IonicContact OD1-NZ 3.55Å; D89-K901 PolarHBondContact OD1-NZ 3.09Å; D89-K901 WeakPolarHBondContact OD2-CB 3.39Å; D89-K901 WeakPolarHBondContact OD2-CE 3.31Å; D89-K901 WeakPolarHBondContact OD2-CG 3.32Å; D89-K901 PolarHBondContact OD2-N 3.16Å; D89-K901 IonicContact OD2-NZ 2.76Å; D89-K901 PolarHBondContact OD2-NZ 3.38Å; L899-K901 PolarHBondContact O-N 2.99Å; K901-K903 WeakPolarHBondContact O-CD 3.17Å; K901-K903 PolarHBondContact O-N 3.37Å; K901-K903 VanDerWaalsContact O-N 3.12Å; K901-K903 PolarHBondContact O-NZ 3.31Å
902	P	96.9	Very high	96.8	Very high	36 Å²	36	39.2 Å²	39.2	23%	0.234	20%	0.199	C	C	.	.			trans	-53.3	122.3	171.6	-27.3	36.3	0	0	0	111	F572 K904 A907 E908 K911	F572-P902 WeakPolarHBondContact CE1-O 3.31Å; F572-P902 HydrophobicContact CZ-CB 4.38Å; F572-P902 WeakPolarHBondContact CZ-O 3.14Å; P902-K904 VanDerWaalsContact C-N 3.34Å; P902-A907 HydrophobicContact CB-CB 4.22Å; P902-E908 HydrophobicContact CB-CB 3.69Å; P902-E908 HydrophobicContact CB-CG 4.41Å; P902-E908 HydrophobicContact CG-CB 3.92Å; P902-E908 HydrophobicContact CG-CG 4.17Å; P902-K911 HydrophobicContact CG-CD 3.81Å
903	K	95.9	Very high	96.9	Very high	19 Å²	19	36.5 Å²	36.5	8%	0.083	19%	0.186	C	C	.	.	S	Bend	trans	-84.3	-9.4	-177.4	-54.4	-62.6	-174.8	-83.4	0	113	D89 K432 F572 D900 K901	D89-K903 IonicContact OD2-NZ 3.24Å; D89-K903 PolarHBondContact OD2-NZ 3.1Å; K432-K903 WeakPolarHBondContact CB-O 3.44Å; F572-K903 VanDerWaalsContact CE1-C 3.46Å; D900-K903 IonicContact OD1-NZ 3.98Å; D900-K903 PolarHBondContact OD1-NZ 3.23Å; K901-K903 WeakPolarHBondContact O-CD 3.17Å; K901-K903 PolarHBondContact O-N 3.37Å; K901-K903 VanDerWaalsContact O-N 3.12Å; K901-K903 PolarHBondContact O-NZ 3.31Å
904	K	96.1	Very high	96.9	Very high	82 Å²	82	37.9 Å²	37.9	36%	0.357	20%	0.2	S	C	.	.	S	Bend	trans	-150.1	153.5	178.9	64.7	-174.4	-156.7	145	0	112.7	D431 F572 P902 S906 A907 E908	D431-K904 HydrophobicContact CB-CB 3.89Å; D431-K904 HydrophobicContact CB-CD 3.82Å; D431-K904 WeakPolarHBondContact OD2-CD 3.49Å; D431-K904 IonicContact OD2-NZ 3.24Å; F572-K904 VanDerWaalsContact CE1-CA 3.49Å; F572-K904 VanDerWaalsContact CZ-C 3.49Å; P902-K904 VanDerWaalsContact C-N 3.34Å; K904-S906 VanDerWaalsContact C-N 3.33Å; K904-S906 WeakPolarHBondContact CE-OG 3.41Å; K904-S906 PolarHBondContact NZ-OG 2.94Å; K904-S906 PolarHBondContact O-N 3.47Å; K904-A907 HydrophobicContact CG-CB 3.98Å; K904-A907 WeakPolarHBondContact O-CB 3.24Å; K904-A907 PolarHBondContact O-N 3.4Å; K904-E908 PolarHBondContact O-N 2.91Å
905	L	97.8	Very high	96.9	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.058	20%	0.202	C	C	.	.	H	α-helix	trans	-49.6	-48.3	-177.2	-177.8	69.5	0	0	0	113.2	D569 F572 K576 H735 A907 E908 C909	D569-L905 HydrophobicContact CB-CD1 4.32Å; F572-L905 HydrophobicContact CD2-CB 3.82Å; F572-L905 HydrophobicContact CD2-CD1 4.08Å; F572-L905 HydrophobicContact CE2-CB 4.28Å; F572-L905 HydrophobicContact CE2-CD1 4.43Å; F572-L905 HydrophobicContact CG-CB 4.42Å; K576-L905 HydrophobicContact CB-CD2 4.35Å; H735-L905 WeakPolarHBondContact NE2-CD1 3.5Å; L905-A907 PolarHBondContact O-N 2.99Å; L905-E908 PolarHBondContact O-N 3.44Å; L905-E908 VanDerWaalsContact O-N 3.11Å; L905-C909 WeakPolarHBondContact O-CB 3.38Å; L905-C909 PolarHBondContact O-N 2.98Å
906	S	96.7	Very high	96.9	Very high	32 Å²	32	38.3 Å²	38.3	22%	0.224	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-26.6	-179.8	47.7	0	0	0	0	113.8	K904 A910	K904-S906 VanDerWaalsContact C-N 3.33Å; K904-S906 WeakPolarHBondContact CE-OG 3.41Å; K904-S906 PolarHBondContact NZ-OG 2.94Å; K904-S906 PolarHBondContact O-N 3.47Å; S906-A910 WeakPolarHBondContact O-CB 3.27Å; S906-A910 PolarHBondContact O-N 2.83Å
907	A	97.1	Very high	96.9	Very high	22 Å²	22	40.1 Å²	40.1	18%	0.182	21%	0.211	C	C	.	.	H	α-helix	trans	-81.8	-32.2	175.5	0	0	0	0	0	112.7	P902 K904 L905 K911	P902-A907 HydrophobicContact CB-CB 4.22Å; K904-A907 HydrophobicContact CG-CB 3.98Å; K904-A907 WeakPolarHBondContact O-CB 3.24Å; K904-A907 PolarHBondContact O-N 3.4Å; L905-A907 PolarHBondContact O-N 2.99Å; A907-K911 PolarHBondContact O-N 2.96Å
908	E	98.3	Very high	97	Very high	9 Å²	9	38.7 Å²	38.7	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-72.9	-45.8	173.6	-169.5	-176.5	-140.1	0	0	110.6	K567 K571 F572 H735 P902 K904 L905 A910 K911 Y912	K567-E908 IonicContact NZ-OE1 3.92Å; K567-E908 PolarHBondContact NZ-OE1 2.68Å; K567-E908 IonicContact NZ-OE2 2.82Å; K567-E908 PolarHBondContact NZ-OE2 2.79Å; K571-E908 WeakPolarHBondContact CD-OE1 3.44Å; K571-E908 IonicContact NZ-OE1 2.72Å; K571-E908 PolarHBondContact NZ-OE1 2.69Å; F572-E908 HydrophobicContact CE2-CB 4.23Å; F572-E908 HydrophobicContact CZ-CB 4.42Å; H735-E908 WeakPolarHBondContact CE1-CB 3.47Å; H735-E908 WeakPolarHBondContact CE1-CG 3.39Å; H735-E908 IonicContact CE1-OE2 3.39Å; H735-E908 PolarHBondContact CE1-OE2 3.48Å; H735-E908 IonicContact NE2-OE2 2.96Å; H735-E908 PolarHBondContact NE2-OE2 2.74Å; P902-E908 HydrophobicContact CB-CB 3.69Å; P902-E908 HydrophobicContact CB-CG 4.41Å; P902-E908 HydrophobicContact CG-CB 3.92Å; P902-E908 HydrophobicContact CG-CG 4.17Å; K904-E908 PolarHBondContact O-N 2.91Å; L905-E908 PolarHBondContact O-N 3.44Å; L905-E908 VanDerWaalsContact O-N 3.11Å; E908-A910 PolarHBondContact O-N 3.27Å; E908-K911 WeakPolarHBondContact O-CB 3.06Å; E908-K911 PolarHBondContact O-N 3.43Å; E908-Y912 HydrophobicContact CG-CD2 4.15Å; E908-Y912 HydrophobicContact CG-CE2 3.52Å; E908-Y912 PolarHBondContact O-N 3.31Å; E908-Y912 VanDerWaalsContact O-N 3.14Å; E908-Y912 PolarHBondContact OE1-OH 2.84Å; E908-Y912 VanDerWaalsContact OE1-OH 3.08Å
909	C	97.9	Very high	97	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-54.9	-39.9	174.2	-174.8	0	0	0	0	111.6	C578 H735 L905 K911 Y912 W913	C578-C909 HydrophobicContact CB-CB 4.16Å; H735-C909 PolarHBondContact CE1-N 3.23Å; L905-C909 WeakPolarHBondContact O-CB 3.38Å; L905-C909 PolarHBondContact O-N 2.98Å; C909-K911 PolarHBondContact O-N 2.82Å; C909-Y912 PolarHBondContact O-N 2.93Å; C909-W913 VanDerWaalsContact O-CB 3.26Å; C909-W913 WeakPolarHBondContact O-CB 3.2Å; C909-W913 PolarHBondContact O-N 2.71Å
910	A	97.8	Very high	96.9	Very high	60 Å²	60	35.7 Å²	35.7	50%	0.496	20%	0.199	S	C	.	.	H	α-helix	trans	-63.1	-37.7	175.1	0	0	0	0	0	113.8	S906 E908 G914	S906-A910 WeakPolarHBondContact O-CB 3.27Å; S906-A910 PolarHBondContact O-N 2.83Å; E908-A910 PolarHBondContact O-N 3.27Å; A910-G914 PolarHBondContact O-N 2.89Å
911	K	97.6	Very high	97.1	Very high	84 Å²	84	34.4 Å²	34.4	37%	0.365	19%	0.191	S	C	.	.	H	α-helix	trans	-64.1	-48.1	175.1	-67.7	-177.1	71.8	166.8	0	110.7	P902 A907 E908 C909 G914 E915 D926	P902-K911 HydrophobicContact CG-CD 3.81Å; A907-K911 PolarHBondContact O-N 2.96Å; E908-K911 WeakPolarHBondContact O-CB 3.06Å; E908-K911 PolarHBondContact O-N 3.43Å; C909-K911 PolarHBondContact O-N 2.82Å; K911-G914 PolarHBondContact O-N 2.92Å; K911-E915 PolarHBondContact O-N 2.69Å; K911-D926 WeakPolarHBondContact CE-OD2 3.42Å; K911-D926 IonicContact NZ-OD2 3.61Å; K911-D926 PolarHBondContact NZ-OD2 2.95Å
912	Y	98.5	Very high	97.1	Very high	16 Å²	16	30.4 Å²	30.4	6%	0.063	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-40.2	177.3	-62.2	-35.1	0	0	0	112.8	S551 P553 K567 H735 E908 C909 G914 E915 I916 F923	S551-Y912 PolarHBondContact O-OH 3.12Å; P553-Y912 HydrophobicContact CG-CD1 3.86Å; P553-Y912 HydrophobicContact CG-CD2 3.51Å; P553-Y912 HydrophobicContact CG-CE1 4.21Å; P553-Y912 HydrophobicContact CG-CE2 3.89Å; P553-Y912 HydrophobicContact CG-CG 3.49Å; P553-Y912 VanDerWaalsContact CG-CG 3.49Å; K567-Y912 HydrophobicContact CD-CE2 3.57Å; K567-Y912 PolarHBondContact NZ-OH 2.93Å; H735-Y912 AromaticContact CE1-CE2 3.71Å; H735-Y912 AromaticContact ND1-CD2 3.91Å; E908-Y912 HydrophobicContact CG-CD2 4.15Å; E908-Y912 HydrophobicContact CG-CE2 3.52Å; E908-Y912 PolarHBondContact O-N 3.31Å; E908-Y912 VanDerWaalsContact O-N 3.14Å; E908-Y912 PolarHBondContact OE1-OH 2.84Å; E908-Y912 VanDerWaalsContact OE1-OH 3.08Å; C909-Y912 PolarHBondContact O-N 2.93Å; Y912-G914 VanDerWaalsContact C-N 3.32Å; Y912-G914 PolarHBondContact O-N 3.42Å; Y912-E915 PolarHBondContact O-N 2.91Å; Y912-I916 WeakPolarHBondContact O-CG1 3.48Å; Y912-I916 PolarHBondContact O-N 3.33Å; Y912-I916 VanDerWaalsContact O-N 3.14Å; Y912-F923 HydrophobicContact CD1-CB 4.44Å; Y912-F923 AromaticContact CD1-CD1 3.79Å; Y912-F923 HydrophobicContact CD1-CD1 3.79Å; Y912-F923 HydrophobicContact CD1-CE1 4.45Å; Y912-F923 HydrophobicContact CD1-CG 4.38Å; Y912-F923 HydrophobicContact CE1-CB 4.43Å; Y912-F923 HydrophobicContact CG-CD1 4.47Å
913	W	98.5	Very high	97.1	Very high	19 Å²	19	30.5 Å²	30.5	7%	0.072	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-39.7	177.2	-167.3	-120.3	0	0	0	111.8	N580 E582 Y633 E731 L733 C909 E915 I916 I917	N580-W913 HydrophobicContact CB-CD2 3.89Å; N580-W913 HydrophobicContact CB-CE3 3.76Å; N580-W913 HydrophobicContact CB-CH2 3.89Å; N580-W913 HydrophobicContact CB-CZ2 4Å; N580-W913 HydrophobicContact CB-CZ3 3.77Å; E582-W913 HydrophobicContact CB-CH2 4.04Å; E582-W913 HydrophobicContact CB-CZ2 4.02Å; Y633-W913 AromaticContact CD2-CZ2 3.83Å; Y633-W913 HydrophobicContact CD2-CZ2 3.83Å; Y633-W913 AromaticContact CD2-NE1 3.93Å; Y633-W913 AromaticContact CE2-CE2 3.7Å; Y633-W913 AromaticContact CE2-CZ2 3.78Å; Y633-W913 HydrophobicContact CE2-CZ2 3.78Å; Y633-W913 AromaticContact CE2-NE1 3.34Å; Y633-W913 VanDerWaalsContact CE2-NE1 3.34Å; E731-W913 WeakPolarHBondContact O-CH2 3.07Å; L733-W913 HydrophobicContact CB-CE3 3.57Å; L733-W913 HydrophobicContact CB-CZ3 3.73Å; L733-W913 HydrophobicContact CD2-CB 4.27Å; L733-W913 HydrophobicContact CD2-CE3 4.2Å; C909-W913 VanDerWaalsContact O-CB 3.26Å; C909-W913 WeakPolarHBondContact O-CB 3.2Å; C909-W913 PolarHBondContact O-N 2.71Å; W913-E915 PolarHBondContact O-N 3.33Å; W913-I916 HydrophobicContact CE3-CB 4.32Å; W913-I916 HydrophobicContact CE3-CD1 4.35Å; W913-I916 HydrophobicContact CE3-CG2 4.19Å; W913-I916 HydrophobicContact CZ3-CG2 4Å; W913-I916 PolarHBondContact O-N 2.86Å; W913-I916 VanDerWaalsContact O-N 3.13Å; W913-I917 HydrophobicContact CD2-CG2 3.83Å; W913-I917 HydrophobicContact CE3-CG2 4.45Å; W913-I917 HydrophobicContact CG-CG2 4.24Å; W913-I917 HydrophobicContact CH2-CG2 4.24Å; W913-I917 HydrophobicContact CZ2-CG2 3.59Å; W913-I917 WeakPolarHBondContact O-CG1 3.16Å; W913-I917 PolarHBondContact O-N 3.25Å
914	G	97.8	Very high	97.1	Very high	29 Å²	29	33.3 Å²	33.3	30%	0.299	19%	0.187	S	C	.	.	H	α-helix	trans	-57.2	-42.7	173.4	0	0	0	0	0	113.6	A910 K911 Y912 I916 S918	A910-G914 PolarHBondContact O-N 2.89Å; K911-G914 PolarHBondContact O-N 2.92Å; Y912-G914 VanDerWaalsContact C-N 3.32Å; Y912-G914 PolarHBondContact O-N 3.42Å; G914-I916 VanDerWaalsContact C-N 3.34Å; G914-I916 PolarHBondContact O-N 2.97Å; G914-S918 VanDerWaalsContact O-CB 3.25Å; G914-S918 WeakPolarHBondContact O-CB 3.36Å; G914-S918 PolarHBondContact O-N 2.73Å; G914-S918 PolarHBondContact O-OG 2.71Å
915	E	98.2	Very high	97.2	Very high	22 Å²	22	30.6 Å²	30.6	10%	0.103	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-33.4	175.3	-70.3	-55.6	133.2	0	0	113.2	K911 Y912 W913 S918 Q919 Q920 Y921 N922 F923 R925	K911-E915 PolarHBondContact O-N 2.69Å; Y912-E915 PolarHBondContact O-N 2.91Å; W913-E915 PolarHBondContact O-N 3.33Å; E915-S918 PolarHBondContact O-OG 3.4Å; E915-Q919 PolarHBondContact O-N 3.41Å; E915-Q920 PolarHBondContact O-N 3.27Å; E915-Q920 VanDerWaalsContact O-N 3.08Å; E915-Q920 WeakPolarHBondContact OE2-CB 3.5Å; E915-Y921 PolarHBondContact O-N 3.21Å; E915-N922 WeakPolarHBondContact OE2-CA 3.19Å; E915-N922 WeakPolarHBondContact OE2-CB 3.45Å; E915-N922 PolarHBondContact OE2-N 2.81Å; E915-F923 HydrophobicContact CB-CD1 3.86Å; E915-F923 HydrophobicContact CB-CE1 3.8Å; E915-F923 HydrophobicContact CG-CD1 4.18Å; E915-R925 VanDerWaalsContact CD-NH2 3.25Å; E915-R925 IonicContact OE1-CZ 2.68Å; E915-R925 IonicContact OE1-NE 3.09Å; E915-R925 PolarHBondContact OE1-NE 2.7Å; E915-R925 IonicContact OE1-NH2 3.99Å; E915-R925 PolarHBondContact OE1-NH2 3.32Å; E915-R925 IonicContact OE2-CZ 3.34Å; E915-R925 IonicContact OE2-NE 2.74Å; E915-R925 IonicContact OE2-NH2 2.69Å; E915-R925 PolarHBondContact OE2-NH2 3.25Å
916	I	98.1	Very high	97.1	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-74.7	-54.4	179.4	-69.4	164.6	0	0	0	111	W565 E731 L733 Y912 W913 G914 S918 Q919 Y921 F923	W565-I916 HydrophobicContact CB-CD1 3.78Å; W565-I916 HydrophobicContact CD2-CD1 4.31Å; W565-I916 HydrophobicContact CD2-CG1 4.41Å; W565-I916 HydrophobicContact CG-CD1 3.61Å; W565-I916 HydrophobicContact CG-CG1 4.1Å; E731-I916 HydrophobicContact CG-CG2 3.68Å; L733-I916 HydrophobicContact CB-CD1 3.93Å; L733-I916 HydrophobicContact CD1-CD1 4.05Å; L733-I916 HydrophobicContact CD2-CD1 4.1Å; L733-I916 HydrophobicContact CG-CD1 4.24Å; Y912-I916 WeakPolarHBondContact O-CG1 3.48Å; Y912-I916 PolarHBondContact O-N 3.33Å; Y912-I916 VanDerWaalsContact O-N 3.14Å; W913-I916 HydrophobicContact CE3-CB 4.32Å; W913-I916 HydrophobicContact CE3-CD1 4.35Å; W913-I916 HydrophobicContact CE3-CG2 4.19Å; W913-I916 HydrophobicContact CZ3-CG2 4Å; W913-I916 PolarHBondContact O-N 2.86Å; W913-I916 VanDerWaalsContact O-N 3.13Å; G914-I916 VanDerWaalsContact C-N 3.34Å; G914-I916 PolarHBondContact O-N 2.97Å; I916-S918 VanDerWaalsContact C-N 3.29Å; I916-S918 PolarHBondContact O-N 3.47Å; I916-Q919 WeakPolarHBondContact O-CA 3.29Å; I916-Q919 WeakPolarHBondContact O-CG 3.44Å; I916-Q919 PolarHBondContact O-N 2.94Å; I916-Y921 HydrophobicContact CB-CE1 4.46Å; I916-Y921 HydrophobicContact CG1-CD1 4.25Å; I916-Y921 HydrophobicContact CG1-CE1 4.39Å; I916-Y921 HydrophobicContact CG2-CE1 4.45Å; I916-F923 HydrophobicContact CD1-CE1 4.28Å; I916-F923 HydrophobicContact CD1-CZ 4.23Å; I916-F923 HydrophobicContact CG1-CE1 3.99Å; I916-F923 HydrophobicContact CG1-CZ 3.95Å
917	I	96.1	Very high	97.1	Very high	65 Å²	65	34.3 Å²	34.3	33%	0.333	19%	0.192	S	C	.	.	H	α-helix	trans	-68.6	-28.2	-176.3	68.9	-174.5	0	0	0	112.9	R770 W913 Q919	R770-I917 PolarHBondContact NH2-O 2.71Å; W913-I917 HydrophobicContact CD2-CG2 3.83Å; W913-I917 HydrophobicContact CE3-CG2 4.45Å; W913-I917 HydrophobicContact CG-CG2 4.24Å; W913-I917 HydrophobicContact CH2-CG2 4.24Å; W913-I917 HydrophobicContact CZ2-CG2 3.59Å; W913-I917 WeakPolarHBondContact O-CG1 3.16Å; W913-I917 PolarHBondContact O-N 3.25Å; I917-Q919 VanDerWaalsContact C-N 3.25Å
918	S	95.1	Very high	97.2	Very high	55 Å²	55	36.2 Å²	36.2	39%	0.385	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-5.7	170.8	68.2	0	0	0	0	113.7	G914 E915 I916 Q920	G914-S918 VanDerWaalsContact O-CB 3.25Å; G914-S918 WeakPolarHBondContact O-CB 3.36Å; G914-S918 PolarHBondContact O-N 2.73Å; G914-S918 PolarHBondContact O-OG 2.71Å; E915-S918 PolarHBondContact O-OG 3.4Å; I916-S918 VanDerWaalsContact C-N 3.29Å; I916-S918 PolarHBondContact O-N 3.47Å; S918-Q920 PolarHBondContact O-N 3Å; S918-Q920 VanDerWaalsContact O-N 3.16Å
919	Q	96.1	Very high	97.2	Very high	26 Å²	26	35.9 Å²	35.9	12%	0.121	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	29.2	-176.2	-56.2	-157.8	-17.3	0	0	114.9	E731 E915 I916 I917 Y921	E731-Q919 PolarHBondContact OE2-NE2 2.86Å; E731-Q919 VanDerWaalsContact OE2-NE2 3.09Å; E915-Q919 PolarHBondContact O-N 3.41Å; I916-Q919 WeakPolarHBondContact O-CA 3.29Å; I916-Q919 WeakPolarHBondContact O-CG 3.44Å; I916-Q919 PolarHBondContact O-N 2.94Å; I917-Q919 VanDerWaalsContact C-N 3.25Å; Q919-Y921 VanDerWaalsContact C-CE2 3.45Å; Q919-Y921 VanDerWaalsContact CA-CE2 3.49Å; Q919-Y921 HydrophobicContact CB-CE2 3.7Å; Q919-Y921 HydrophobicContact CG-CE2 4.36Å; Q919-Y921 VanDerWaalsContact CG-OH 3.32Å; Q919-Y921 WeakPolarHBondContact CG-OH 3.4Å; Q919-Y921 VanDerWaalsContact O-CD2 3.29Å; Q919-Y921 WeakPolarHBondContact O-CD2 3.38Å; Q919-Y921 VanDerWaalsContact O-CE2 3.22Å; Q919-Y921 WeakPolarHBondContact O-CE2 3.49Å
920	Q	95.6	Very high	97.2	Very high	13 Å²	13	36 Å²	36	6%	0.061	20%	0.197	C	C	.	.			trans	-86.3	-35.1	173.7	-62.5	-166.9	50.9	0	0	111.6	E915 S918 N922 K1010	E915-Q920 PolarHBondContact O-N 3.27Å; E915-Q920 VanDerWaalsContact O-N 3.08Å; E915-Q920 WeakPolarHBondContact OE2-CB 3.5Å; S918-Q920 PolarHBondContact O-N 3Å; S918-Q920 VanDerWaalsContact O-N 3.16Å; Q920-N922 PolarHBondContact O-N 3.12Å; Q920-K1010 HydrophobicContact CG-CD 4.22Å
921	Y	97.1	Very high	97.2	Very high	25 Å²	25	36.1 Å²	36.1	10%	0.098	20%	0.198	C	C	.	.			trans	55.1	25.3	177.3	-45.6	-75.3	0	0	0	115.1	K563 W565 E731 E915 I916 Q919 F923 K1012	K563-Y921 PolarHBondContact NZ-OH 2.88Å; W565-Y921 AromaticContact CE2-CD1 3.86Å; W565-Y921 AromaticContact CE2-CE1 3.84Å; W565-Y921 AromaticContact CH2-CD1 3.93Å; W565-Y921 HydrophobicContact CH2-CD1 3.93Å; W565-Y921 HydrophobicContact CH2-CE1 4.49Å; W565-Y921 HydrophobicContact CH2-CG 4.32Å; W565-Y921 AromaticContact CZ2-CD1 3.28Å; W565-Y921 HydrophobicContact CZ2-CD1 3.28Å; W565-Y921 AromaticContact CZ2-CE1 3.46Å; W565-Y921 HydrophobicContact CZ2-CE1 3.46Å; W565-Y921 VanDerWaalsContact CZ2-CE1 3.46Å; W565-Y921 HydrophobicContact CZ2-CG 4.02Å; W565-Y921 AromaticContact NE1-CE1 3.81Å; E731-Y921 VanDerWaalsContact OE1-CE1 3.29Å; E731-Y921 WeakPolarHBondContact OE1-CE1 3.23Å; E731-Y921 PolarHBondContact OE1-OH 2.95Å; E731-Y921 VanDerWaalsContact OE1-OH 3.07Å; E731-Y921 PolarHBondContact OE2-OH 3.1Å; E915-Y921 PolarHBondContact O-N 3.21Å; I916-Y921 HydrophobicContact CB-CE1 4.46Å; I916-Y921 HydrophobicContact CG1-CD1 4.25Å; I916-Y921 HydrophobicContact CG1-CE1 4.39Å; I916-Y921 HydrophobicContact CG2-CE1 4.45Å; Q919-Y921 VanDerWaalsContact C-CE2 3.45Å; Q919-Y921 VanDerWaalsContact CA-CE2 3.49Å; Q919-Y921 HydrophobicContact CB-CE2 3.7Å; Q919-Y921 HydrophobicContact CG-CE2 4.36Å; Q919-Y921 VanDerWaalsContact CG-OH 3.32Å; Q919-Y921 WeakPolarHBondContact CG-OH 3.4Å; Q919-Y921 VanDerWaalsContact O-CD2 3.29Å; Q919-Y921 WeakPolarHBondContact O-CD2 3.38Å; Q919-Y921 VanDerWaalsContact O-CE2 3.22Å; Q919-Y921 WeakPolarHBondContact O-CE2 3.49Å; Y921-F923 PolarHBondContact O-N 2.82Å; Y921-F923 VanDerWaalsContact O-N 3.15Å; Y921-K1012 HydrophobicContact CE2-CD 4.34Å
922	N	97	Very high	97.3	Very high	11 Å²	11	34.6 Å²	34.6	6%	0.059	19%	0.192	C	C	.	.			trans	-89	72.9	-179	-170.8	10.4	0	0	0	110.6	E915 Q920 D924 R925	E915-N922 WeakPolarHBondContact OE2-CA 3.19Å; E915-N922 WeakPolarHBondContact OE2-CB 3.45Å; E915-N922 PolarHBondContact OE2-N 2.81Å; Q920-N922 PolarHBondContact O-N 3.12Å; N922-D924 PolarHBondContact O-N 2.78Å; N922-D924 VanDerWaalsContact O-N 3.16Å; N922-R925 HydrophobicContact CB-CB 4.3Å; N922-R925 WeakPolarHBondContact O-CB 3.47Å; N922-R925 PolarHBondContact O-N 3.01Å; N922-R925 PolarHBondContact OD1-N 2.73Å
923	F	97	Very high	97.3	Very high	37 Å²	37	33.9 Å²	33.9	16%	0.162	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.9	-176.3	-56.5	-53.7	0	0	0	114.4	V552 P553 W565 Y912 E915 I916 Y921	V552-F923 HydrophobicContact CB-CB 3.82Å; V552-F923 HydrophobicContact CB-CD2 4.32Å; V552-F923 HydrophobicContact CB-CG 4.35Å; V552-F923 HydrophobicContact CG1-CB 3.83Å; V552-F923 HydrophobicContact CG2-CB 4.45Å; V552-F923 HydrophobicContact CG2-CD2 4.49Å; P553-F923 HydrophobicContact CB-CE2 4.15Å; P553-F923 HydrophobicContact CB-CZ 4.08Å; P553-F923 HydrophobicContact CG-CD1 4.44Å; P553-F923 HydrophobicContact CG-CE1 4.24Å; P553-F923 HydrophobicContact CG-CE2 4.5Å; P553-F923 HydrophobicContact CG-CZ 4.27Å; P553-F923 WeakPolarHBondContact O-CE2 3.2Å; W565-F923 HydrophobicContact CD2-CZ 4.23Å; W565-F923 AromaticContact CE3-CE2 3.81Å; W565-F923 HydrophobicContact CE3-CE2 3.81Å; W565-F923 AromaticContact CE3-CZ 3.89Å; W565-F923 HydrophobicContact CE3-CZ 3.89Å; W565-F923 HydrophobicContact CH2-CE2 4.26Å; W565-F923 HydrophobicContact CH2-CZ 4.49Å; W565-F923 AromaticContact CZ3-CE2 3.64Å; W565-F923 HydrophobicContact CZ3-CE2 3.64Å; W565-F923 HydrophobicContact CZ3-CZ 4.05Å; Y912-F923 HydrophobicContact CD1-CB 4.44Å; Y912-F923 AromaticContact CD1-CD1 3.79Å; Y912-F923 HydrophobicContact CD1-CD1 3.79Å; Y912-F923 HydrophobicContact CD1-CE1 4.45Å; Y912-F923 HydrophobicContact CD1-CG 4.38Å; Y912-F923 HydrophobicContact CE1-CB 4.43Å; Y912-F923 HydrophobicContact CG-CD1 4.47Å; E915-F923 HydrophobicContact CB-CD1 3.86Å; E915-F923 HydrophobicContact CB-CE1 3.8Å; E915-F923 HydrophobicContact CG-CD1 4.18Å; I916-F923 HydrophobicContact CD1-CE1 4.28Å; I916-F923 HydrophobicContact CD1-CZ 4.23Å; I916-F923 HydrophobicContact CG1-CE1 3.99Å; I916-F923 HydrophobicContact CG1-CZ 3.95Å; Y921-F923 PolarHBondContact O-N 2.82Å; Y921-F923 VanDerWaalsContact O-N 3.15Å
924	D	95.6	Very high	97.2	Very high	79 Å²	79	38.4 Å²	38.4	42%	0.422	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	16.1	174.8	-163.6	46.4	0	0	0	112.9	N922 D926 N927 I928	N922-D924 PolarHBondContact O-N 2.78Å; N922-D924 VanDerWaalsContact O-N 3.16Å; D924-D926 VanDerWaalsContact C-N 3.29Å; D924-D926 PolarHBondContact O-N 3.33Å; D924-D926 VanDerWaalsContact O-N 3.13Å; D924-N927 PolarHBondContact O-N 3.14Å; D924-N927 VanDerWaalsContact O-N 3.15Å; D924-N927 PolarHBondContact OD1-ND2 3.33Å; D924-I928 HydrophobicContact CB-CD1 4.18Å; D924-I928 PolarHBondContact O-N 3.47Å
925	R	96.9	Very high	97.2	Very high	25 Å²	25	41.6 Å²	41.6	9%	0.094	22%	0.223	C	C	.	.	H	α-helix	trans	-46.5	-48.5	-174	179.9	-174.6	-61.1	-77	-2.7	113.6	E915 N922 N927 I928 E929	E915-R925 VanDerWaalsContact CD-NH2 3.25Å; E915-R925 IonicContact OE1-CZ 2.68Å; E915-R925 IonicContact OE1-NE 3.09Å; E915-R925 PolarHBondContact OE1-NE 2.7Å; E915-R925 IonicContact OE1-NH2 3.99Å; E915-R925 PolarHBondContact OE1-NH2 3.32Å; E915-R925 IonicContact OE2-CZ 3.34Å; E915-R925 IonicContact OE2-NE 2.74Å; E915-R925 IonicContact OE2-NH2 2.69Å; E915-R925 PolarHBondContact OE2-NH2 3.25Å; N922-R925 HydrophobicContact CB-CB 4.3Å; N922-R925 WeakPolarHBondContact O-CB 3.47Å; N922-R925 PolarHBondContact O-N 3.01Å; N922-R925 PolarHBondContact OD1-N 2.73Å; R925-N927 VanDerWaalsContact C-N 3.32Å; R925-N927 PolarHBondContact O-N 3.11Å; R925-I928 PolarHBondContact O-N 3.28Å; R925-E929 WeakPolarHBondContact CD-OE1 3.44Å; R925-E929 WeakPolarHBondContact CD-OE2 3.42Å; R925-E929 HydrophobicContact CG-CG 3.95Å; R925-E929 VanDerWaalsContact CG-OE1 3.29Å; R925-E929 WeakPolarHBondContact CG-OE1 3.33Å; R925-E929 WeakPolarHBondContact CG-OE2 3.42Å; R925-E929 IonicContact CZ-OE1 3.2Å; R925-E929 IonicContact NH1-OE1 2.74Å; R925-E929 PolarHBondContact NH1-OE1 3.17Å; R925-E929 VanDerWaalsContact O-CB 3.3Å; R925-E929 WeakPolarHBondContact O-CB 3.32Å; R925-E929 PolarHBondContact O-N 2.9Å
926	D	96.7	Very high	97.2	Very high	28 Å²	28	40.9 Å²	40.9	15%	0.15	22%	0.22	C	C	.	.	H	α-helix	trans	-65.5	-36.4	-172	-61.5	-53	0	0	0	112.1	R898 L899 K911 D924 V930	R898-D926 IonicContact CZ-OD1 2.71Å; R898-D926 VanDerWaalsContact CZ-OD1 3.23Å; R898-D926 IonicContact NE-OD1 2.8Å; R898-D926 PolarHBondContact NE-OD1 2.82Å; R898-D926 IonicContact NH2-OD1 3.07Å; R898-D926 PolarHBondContact NH2-OD1 3.21Å; L899-D926 HydrophobicContact CD2-CB 4.11Å; K911-D926 WeakPolarHBondContact CE-OD2 3.42Å; K911-D926 IonicContact NZ-OD2 3.61Å; K911-D926 PolarHBondContact NZ-OD2 2.95Å; D924-D926 VanDerWaalsContact C-N 3.29Å; D924-D926 PolarHBondContact O-N 3.33Å; D924-D926 VanDerWaalsContact O-N 3.13Å; D926-V930 WeakPolarHBondContact O-CB 3.36Å; D926-V930 WeakPolarHBondContact O-CG2 3.32Å; D926-V930 PolarHBondContact O-N 3.05Å
927	N	96.6	Very high	97.2	Very high	93 Å²	93	44 Å²	44	50%	0.497	24%	0.24	S	C	.	.	H	α-helix	trans	-69.1	-44.8	175.6	-68.8	-43.3	0	0	0	111.1	D924 R925 A931	D924-N927 PolarHBondContact O-N 3.14Å; D924-N927 VanDerWaalsContact O-N 3.15Å; D924-N927 PolarHBondContact OD1-ND2 3.33Å; R925-N927 VanDerWaalsContact C-N 3.32Å; R925-N927 PolarHBondContact O-N 3.11Å; N927-A931 WeakPolarHBondContact O-CB 3.46Å; N927-A931 PolarHBondContact O-N 3.17Å
928	I	98.1	Very high	97.3	Very high	62 Å²	62	43.1 Å²	43.1	32%	0.318	23%	0.233	S	C	.	.	H	α-helix	trans	-64.6	-47.8	179.6	-64.4	167.2	0	0	0	111.3	T807 D924 R925 H932	T807-I928 HydrophobicContact CG2-CG2 4.04Å; D924-I928 HydrophobicContact CB-CD1 4.18Å; D924-I928 PolarHBondContact O-N 3.47Å; R925-I928 PolarHBondContact O-N 3.28Å; I928-H932 PolarHBondContact O-N 3.12Å; I928-H932 VanDerWaalsContact O-N 3.17Å
929	E	98.4	Very high	97.4	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-72.5	-38.9	-178.4	-75.4	178.4	-174.6	0	0	111.7	T807 N810 M811 R898 R925 H932 L933	T807-E929 HydrophobicContact CG2-CG 3.93Å; N810-E929 PolarHBondContact ND2-OE1 3.37Å; M811-E929 HydrophobicContact CE-CB 3.97Å; M811-E929 HydrophobicContact CE-CG 4.46Å; M811-E929 HydrophobicContact CG-CB 4.11Å; M811-E929 WeakPolarHBondContact CG-O 3.43Å; M811-E929 HydrophobicContact SD-CB 3.89Å; M811-E929 VanDerWaalsContact SD-O 3.41Å; R898-E929 IonicContact CZ-OE2 3.2Å; R898-E929 VanDerWaalsContact CZ-OE2 3.24Å; R898-E929 IonicContact NH1-OE2 2.62Å; R898-E929 PolarHBondContact NH1-OE2 3.44Å; R898-E929 IonicContact NH2-OE2 3.83Å; R898-E929 PolarHBondContact NH2-OE2 3.46Å; R925-E929 WeakPolarHBondContact CD-OE1 3.44Å; R925-E929 WeakPolarHBondContact CD-OE2 3.42Å; R925-E929 HydrophobicContact CG-CG 3.95Å; R925-E929 VanDerWaalsContact CG-OE1 3.29Å; R925-E929 WeakPolarHBondContact CG-OE1 3.33Å; R925-E929 WeakPolarHBondContact CG-OE2 3.42Å; R925-E929 IonicContact CZ-OE1 3.2Å; R925-E929 IonicContact NH1-OE1 2.74Å; R925-E929 PolarHBondContact NH1-OE1 3.17Å; R925-E929 VanDerWaalsContact O-CB 3.3Å; R925-E929 WeakPolarHBondContact O-CB 3.32Å; R925-E929 PolarHBondContact O-N 2.9Å; E929-H932 PolarHBondContact O-N 3.44Å; E929-L933 WeakPolarHBondContact O-CB 3.19Å; E929-L933 PolarHBondContact O-N 3.44Å
930	V	98.4	Very high	97.5	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.024	25%	0.248	C	C	.	.	H	α-helix	trans	-72.9	-27.4	176.1	175.3	0	0	0	0	112.6	A895 R898 L899 D926 K934	A895-V930 HydrophobicContact CB-CG1 3.54Å; R898-V930 HydrophobicContact CB-CG2 3.6Å; R898-V930 HydrophobicContact CG-CG2 4.25Å; L899-V930 HydrophobicContact CD1-CG1 3.94Å; L899-V930 HydrophobicContact CD2-CG2 4.46Å; L899-V930 HydrophobicContact CG-CB 4.46Å; L899-V930 HydrophobicContact CG-CG1 4.34Å; L899-V930 HydrophobicContact CG-CG2 4.22Å; D926-V930 WeakPolarHBondContact O-CB 3.36Å; D926-V930 WeakPolarHBondContact O-CG2 3.32Å; D926-V930 PolarHBondContact O-N 3.05Å; V930-K934 WeakPolarHBondContact O-CG 3.23Å; V930-K934 PolarHBondContact O-N 3.18Å
931	A	98.3	Very high	97.6	Very high	63 Å²	63	46.5 Å²	46.5	52%	0.521	25%	0.245	S	C	.	.	H	α-helix	trans	-64.2	-43.5	168.2	0	0	0	0	0	111.5	N927	N927-A931 WeakPolarHBondContact O-CB 3.46Å; N927-A931 PolarHBondContact O-N 3.17Å
932	H	98.5	Very high	97.5	Very high	53 Å²	53	45.5 Å²	45.5	25%	0.245	24%	0.241	C	C	.	.	H	α-helix	trans	-67	-43.5	175.6	-171.8	81.8	0	0	0	112.3	T807 N808 I928 E929 K934 T935	T807-H932 HydrophobicContact CG2-CB 3.84Å; N808-H932 PolarHBondContact OD1-NE2 3.01Å; I928-H932 PolarHBondContact O-N 3.12Å; I928-H932 VanDerWaalsContact O-N 3.17Å; E929-H932 PolarHBondContact O-N 3.44Å; H932-K934 PolarHBondContact O-N 2.67Å; H932-T935 WeakPolarHBondContact O-CB 3.43Å; H932-T935 PolarHBondContact O-N 3.2Å; H932-T935 PolarHBondContact O-OG1 3.34Å
933	L	98.5	Very high	97.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-50	-43.8	177.4	177.5	59.5	0	0	0	112.4	M811 L815 I891 L894 A895 E929 T935 L936	M811-L933 HydrophobicContact CG-CB 4.26Å; M811-L933 HydrophobicContact SD-CB 3.78Å; M811-L933 HydrophobicContact SD-CD1 4.25Å; M811-L933 HydrophobicContact SD-CD2 4.31Å; M811-L933 HydrophobicContact SD-CG 4.33Å; L815-L933 HydrophobicContact CB-CD1 3.96Å; L815-L933 HydrophobicContact CD1-CD1 4.35Å; L815-L933 HydrophobicContact CD2-CD1 3.94Å; L815-L933 HydrophobicContact CG-CD1 4.31Å; I891-L933 HydrophobicContact CG1-CD1 4.43Å; I891-L933 HydrophobicContact CG2-CG 4.35Å; L894-L933 HydrophobicContact CB-CD2 3.99Å; L894-L933 HydrophobicContact CD2-CD1 3.84Å; L894-L933 HydrophobicContact CD2-CD2 3.79Å; L894-L933 HydrophobicContact CD2-CG 4.49Å; L894-L933 HydrophobicContact CG-CD2 3.75Å; A895-L933 HydrophobicContact CB-CD2 4.3Å; E929-L933 WeakPolarHBondContact O-CB 3.19Å; E929-L933 PolarHBondContact O-N 3.44Å; L933-T935 PolarHBondContact O-N 3.48Å; L933-T935 VanDerWaalsContact O-N 3.17Å; L933-L936 HydrophobicContact CD1-CD1 4.27Å; L933-L936 WeakPolarHBondContact O-CB 3.43Å; L933-L936 PolarHBondContact O-N 3.16Å; L933-L936 VanDerWaalsContact O-N 3.11Å
934	K	97.9	Very high	97.6	Very high	114 Å²	114	48.4 Å²	48.4	50%	0.496	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-3.4	-180	-70.6	178.3	177.9	-172.8	0	114.5	I891 V930 H932	I891-K934 HydrophobicContact CG2-CG 4.13Å; V930-K934 WeakPolarHBondContact O-CG 3.23Å; V930-K934 PolarHBondContact O-N 3.18Å; H932-K934 PolarHBondContact O-N 2.67Å
935	T	98.1	Very high	97.6	Very high	96 Å²	96	44.9 Å²	44.9	59%	0.589	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-9	171	69.7	0	0	0	0	113.7	H932 L933	H932-T935 WeakPolarHBondContact O-CB 3.43Å; H932-T935 PolarHBondContact O-N 3.2Å; H932-T935 PolarHBondContact O-OG1 3.34Å; L933-T935 PolarHBondContact O-N 3.48Å; L933-T935 VanDerWaalsContact O-N 3.17Å
936	L	98.3	Very high	97.5	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.042	25%	0.248	C	C	.	.			trans	-71.5	137	178.1	-63.5	-177.2	0	0	0	110.7	M811 L812 L815 L933 N940	M811-L936 HydrophobicContact CB-CD1 3.82Å; L812-L936 HydrophobicContact CD2-CD1 4.14Å; L812-L936 HydrophobicContact CD2-CD2 3.98Å; L815-L936 HydrophobicContact CD2-CB 4.22Å; L815-L936 HydrophobicContact CD2-CD1 4.15Å; L933-L936 HydrophobicContact CD1-CD1 4.27Å; L933-L936 WeakPolarHBondContact O-CB 3.43Å; L933-L936 PolarHBondContact O-N 3.16Å; L933-L936 VanDerWaalsContact O-N 3.11Å; L936-N940 HydrophobicContact CD2-CB 4.44Å
937	T	97.9	Very high	97.5	Very high	67 Å²	67	50.9 Å²	50.9	41%	0.411	26%	0.259	S	S	.	.			trans	-107.2	164.3	175.4	69.4	0	0	0	0	111	F887 E939 N940 I941	F887-T937 VanDerWaalsContact CE1-C 3.46Å; F887-T937 VanDerWaalsContact CZ-C 3.4Å; T937-E939 PolarHBondContact O-N 3.11Å; T937-N940 WeakPolarHBondContact CB-OD1 3.37Å; T937-N940 PolarHBondContact N-OD1 2.57Å; T937-N940 WeakPolarHBondContact O-CB 3.33Å; T937-N940 PolarHBondContact O-N 2.92Å; T937-N940 PolarHBondContact OG1-N 2.74Å; T937-N940 PolarHBondContact OG1-OD1 3.28Å; T937-I941 PolarHBondContact O-N 3.5Å
938	K	97	Very high	97.5	Very high	46 Å²	46	47.9 Å²	47.9	20%	0.2	24%	0.241	C	C	.	.	H	α-helix	trans	-55.8	-36.5	176.2	-158.9	173.4	81.1	151.2	0	112.5	L879 E880 M882 F887 N940 I941 M942	L879-K938 VanDerWaalsContact O-CD 3.31Å; L879-K938 WeakPolarHBondContact O-CD 3.33Å; L879-K938 VanDerWaalsContact O-CE 3.25Å; L879-K938 WeakPolarHBondContact O-CE 3.26Å; L879-K938 PolarHBondContact O-NZ 3.23Å; E880-K938 PolarHBondContact O-NZ 2.72Å; M882-K938 HydrophobicContact CB-CD 4.4Å; M882-K938 PolarHBondContact O-NZ 2.95Å; F887-K938 HydrophobicContact CD1-CB 4.33Å; F887-K938 HydrophobicContact CD2-CB 4.25Å; F887-K938 HydrophobicContact CD2-CG 4.06Å; F887-K938 HydrophobicContact CE1-CB 4.39Å; F887-K938 VanDerWaalsContact CE1-N 3.32Å; F887-K938 HydrophobicContact CE2-CB 4.3Å; F887-K938 HydrophobicContact CE2-CG 4.31Å; F887-K938 HydrophobicContact CG-CB 4.27Å; F887-K938 HydrophobicContact CG-CG 4.38Å; F887-K938 HydrophobicContact CZ-CB 4.38Å; K938-N940 PolarHBondContact O-N 3.05Å; K938-I941 PolarHBondContact O-N 3.11Å; K938-M942 WeakPolarHBondContact O-CG 3.15Å; K938-M942 PolarHBondContact O-N 3.4Å
939	E	97.1	Very high	97.4	Very high	109 Å²	109	44.9 Å²	44.9	51%	0.509	23%	0.226	S	C	.	.	H	α-helix	trans	-68.5	-31.9	177.7	-168.3	57.9	-149.8	0	0	112.6	T937 I941 M942 Q943 R946	T937-E939 PolarHBondContact O-N 3.11Å; E939-I941 VanDerWaalsContact C-N 3.28Å; E939-I941 PolarHBondContact O-N 2.87Å; E939-M942 PolarHBondContact O-N 3.29Å; E939-Q943 WeakPolarHBondContact O-CB 3.48Å; E939-Q943 PolarHBondContact O-N 3.43Å; E939-R946 IonicContact OE1-NH1 2.7Å; E939-R946 PolarHBondContact OE1-NH1 3.04Å
940	N	97.6	Very high	97.1	Very high	56 Å²	56	45.8 Å²	45.8	30%	0.299	23%	0.231	S	C	.	.	H	α-helix	trans	-65	-35.6	175	-57	120.2	0	0	0	111.8	L812 L936 T937 K938 F944	L812-N940 HydrophobicContact CD2-CB 4.1Å; L936-N940 HydrophobicContact CD2-CB 4.44Å; T937-N940 WeakPolarHBondContact CB-OD1 3.37Å; T937-N940 PolarHBondContact N-OD1 2.57Å; T937-N940 WeakPolarHBondContact O-CB 3.33Å; T937-N940 PolarHBondContact O-N 2.92Å; T937-N940 PolarHBondContact OG1-N 2.74Å; T937-N940 PolarHBondContact OG1-OD1 3.28Å; K938-N940 PolarHBondContact O-N 3.05Å; N940-F944 VanDerWaalsContact O-CB 3.29Å; N940-F944 WeakPolarHBondContact O-CB 3.36Å; N940-F944 PolarHBondContact O-N 2.78Å
941	I	98	Very high	96.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-74.3	-38.9	175.6	-62.9	-63.8	0	0	0	111.2	L812 L815 F816 I819 L879 F887 T937 K938 E939 F944 Y945	L812-I941 HydrophobicContact CD2-CD1 3.86Å; L815-I941 HydrophobicContact CB-CD1 4Å; L815-I941 HydrophobicContact CD2-CD1 3.96Å; L815-I941 HydrophobicContact CD2-CG1 3.95Å; L815-I941 HydrophobicContact CG-CD1 4.05Å; L815-I941 HydrophobicContact CG-CG1 4.28Å; F816-I941 HydrophobicContact CD2-CG2 3.93Å; I819-I941 HydrophobicContact CD1-CG2 4.37Å; L879-I941 HydrophobicContact CD1-CG2 4.5Å; L879-I941 HydrophobicContact CD2-CG2 4.15Å; F887-I941 HydrophobicContact CE2-CB 4.41Å; F887-I941 HydrophobicContact CE2-CG1 3.97Å; F887-I941 HydrophobicContact CZ-CG1 4.02Å; T937-I941 PolarHBondContact O-N 3.5Å; K938-I941 PolarHBondContact O-N 3.11Å; E939-I941 VanDerWaalsContact C-N 3.28Å; E939-I941 PolarHBondContact O-N 2.87Å; I941-F944 PolarHBondContact O-N 3.08Å; I941-Y945 WeakPolarHBondContact O-CB 3.47Å; I941-Y945 PolarHBondContact O-N 3.06Å
942	M	96.5	Very high	96.3	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-62.6	-43.8	172.3	-72.1	-57.3	-62.6	0	0	112.4	E876 L879 E880 K938 E939 Y945 R946	E876-M942 HydrophobicContact CG-CE 4.24Å; L879-M942 HydrophobicContact CB-SD 3.4Å; L879-M942 WeakPolarHBondContact CB-SD 3.27Å; L879-M942 HydrophobicContact CD1-SD 4.08Å; L879-M942 HydrophobicContact CG-SD 4.33Å; E880-M942 HydrophobicContact CG-CE 3.47Å; E880-M942 VanDerWaalsContact CG-CE 3.47Å; E880-M942 HydrophobicContact CG-SD 4.19Å; E880-M942 WeakPolarHBondContact OE1-CE 3.44Å; K938-M942 WeakPolarHBondContact O-CG 3.15Å; K938-M942 PolarHBondContact O-N 3.4Å; E939-M942 PolarHBondContact O-N 3.29Å; M942-Y945 PolarHBondContact O-N 3.25Å; M942-R946 WeakPolarHBondContact O-CB 3.42Å; M942-R946 VanDerWaalsContact O-CG 3.27Å; M942-R946 WeakPolarHBondContact O-CG 3.32Å; M942-R946 PolarHBondContact O-N 2.76Å
943	Q	96.8	Very high	96	Very high	95 Å²	95	51.1 Å²	51.1	44%	0.444	25%	0.249	S	C	.	.	H	α-helix	trans	-62.2	-49.3	175.5	-176.2	179.7	0.2	0	0	111	E939 Y945 R946 E947	E939-Q943 WeakPolarHBondContact O-CB 3.48Å; E939-Q943 PolarHBondContact O-N 3.43Å; Q943-Y945 VanDerWaalsContact C-N 3.32Å; Q943-Y945 PolarHBondContact O-N 3.37Å; Q943-R946 PolarHBondContact O-N 3.36Å; Q943-E947 HydrophobicContact CG-CG 4.28Å; Q943-E947 VanDerWaalsContact CG-OE1 3.31Å; Q943-E947 WeakPolarHBondContact CG-OE1 3.5Å; Q943-E947 PolarHBondContact NE2-OE1 3.02Å; Q943-E947 WeakPolarHBondContact O-CB 3.28Å; Q943-E947 WeakPolarHBondContact O-CG 3.15Å; Q943-E947 PolarHBondContact O-N 3.31Å
944	F	97.4	Very high	95.6	Very high	14 Å²	14	54.9 Å²	54.9	6%	0.061	28%	0.28	C	S	.	.	H	α-helix	trans	-55.3	-45.6	175.9	167.2	-103.2	0	0	0	112.5	T802 L812 L813 F816 N940 I941 E947 R948 L949	T802-F944 HydrophobicContact CG2-CE2 3.89Å; T802-F944 HydrophobicContact CG2-CZ 3.81Å; L812-F944 HydrophobicContact CB-CB 4.41Å; L812-F944 HydrophobicContact CB-CD1 4.33Å; L812-F944 HydrophobicContact CB-CD2 3.81Å; L812-F944 HydrophobicContact CB-CE2 4.08Å; L812-F944 HydrophobicContact CB-CG 3.93Å; L812-F944 HydrophobicContact CB-CZ 4.45Å; L812-F944 HydrophobicContact CD1-CB 4.27Å; L812-F944 HydrophobicContact CD1-CD2 4.05Å; L812-F944 HydrophobicContact CD1-CG 4.39Å; L812-F944 HydrophobicContact CD2-CB 4.28Å; L813-F944 HydrophobicContact CB-CZ 4.25Å; L813-F944 HydrophobicContact CD1-CZ 4.38Å; F816-F944 HydrophobicContact CB-CD1 4.29Å; F816-F944 HydrophobicContact CB-CE1 3.87Å; F816-F944 HydrophobicContact CD2-CD1 4.5Å; F816-F944 HydrophobicContact CG-CE1 4.13Å; N940-F944 VanDerWaalsContact O-CB 3.29Å; N940-F944 WeakPolarHBondContact O-CB 3.36Å; N940-F944 PolarHBondContact O-N 2.78Å; I941-F944 PolarHBondContact O-N 3.08Å; F944-E947 PolarHBondContact O-N 3.37Å; F944-R948 HydrophobicContact CD2-CG 4.21Å; F944-R948 HydrophobicContact CE2-CG 4.3Å; F944-R948 WeakPolarHBondContact O-CB 3.28Å; F944-R948 PolarHBondContact O-N 3.34Å; F944-L949 HydrophobicContact CD1-CD1 4.43Å; F944-L949 HydrophobicContact CE1-CD1 3.86Å; F944-L949 HydrophobicContact CZ-CD1 4.47Å
945	Y	96.5	Very high	95.5	Very high	5 Å²	5	53.7 Å²	53.7	2%	0.02	28%	0.275	C	S	.	.	H	α-helix	trans	-64.6	-46.4	177.3	168.8	-97	0	0	0	112.2	F816 L872 E876 I941 M942 Q943 E947 L949 T950	F816-Y945 AromaticContact CE2-CD2 3.51Å; F816-Y945 HydrophobicContact CE2-CD2 3.51Å; F816-Y945 HydrophobicContact CE2-CE2 4.46Å; F816-Y945 AromaticContact CE2-CG 3.97Å; F816-Y945 HydrophobicContact CE2-CG 3.97Å; F816-Y945 AromaticContact CZ-CD2 3.6Å; F816-Y945 HydrophobicContact CZ-CD2 3.6Å; F816-Y945 HydrophobicContact CZ-CE2 4.23Å; F816-Y945 HydrophobicContact CZ-CG 4.49Å; L872-Y945 PolarHBondContact O-OH 3.38Å; E876-Y945 HydrophobicContact CB-CD1 4.48Å; E876-Y945 HydrophobicContact CB-CE1 3.54Å; E876-Y945 VanDerWaalsContact CD-CE1 3.44Å; E876-Y945 HydrophobicContact CG-CD1 4.35Å; E876-Y945 HydrophobicContact CG-CE1 3.58Å; E876-Y945 PolarHBondContact OE2-OH 3.13Å; I941-Y945 WeakPolarHBondContact O-CB 3.47Å; I941-Y945 PolarHBondContact O-N 3.06Å; M942-Y945 PolarHBondContact O-N 3.25Å; Q943-Y945 VanDerWaalsContact C-N 3.32Å; Q943-Y945 PolarHBondContact O-N 3.37Å; Y945-E947 VanDerWaalsContact C-N 3.34Å; Y945-E947 PolarHBondContact O-N 2.87Å; Y945-L949 HydrophobicContact CD2-CB 3.61Å; Y945-L949 HydrophobicContact CD2-CD1 4.09Å; Y945-L949 HydrophobicContact CD2-CG 4.45Å; Y945-L949 HydrophobicContact CE2-CB 4.01Å; Y945-L949 HydrophobicContact CG-CB 4.41Å; Y945-L949 WeakPolarHBondContact O-CA 3.44Å; Y945-L949 WeakPolarHBondContact O-CB 3.46Å; Y945-L949 PolarHBondContact O-N 3.01Å; Y945-T950 HydrophobicContact CD1-CG2 3.8Å; Y945-T950 HydrophobicContact CE1-CG2 3.17Å; Y945-T950 HydrophobicContact CE2-CG2 4.38Å; Y945-T950 PolarHBondContact O-N 2.97Å
946	R	95.8	Very high	95.3	Very high	96 Å²	96	49.7 Å²	49.7	36%	0.362	25%	0.249	S	C	.	.	H	α-helix	trans	-67.8	-28.2	178	-69.7	172.4	-176.3	147.8	-4.7	113.7	E880 E939 M942 Q943 T950	E880-R946 IonicContact OE1-CZ 2.87Å; E880-R946 IonicContact OE1-NH2 3.52Å; E880-R946 PolarHBondContact OE1-NH2 2.94Å; E939-R946 IonicContact OE1-NH1 2.7Å; E939-R946 PolarHBondContact OE1-NH1 3.04Å; M942-R946 WeakPolarHBondContact O-CB 3.42Å; M942-R946 VanDerWaalsContact O-CG 3.27Å; M942-R946 WeakPolarHBondContact O-CG 3.32Å; M942-R946 PolarHBondContact O-N 2.76Å; Q943-R946 PolarHBondContact O-N 3.36Å; R946-T950 HydrophobicContact CG-CG2 4.41Å; R946-T950 PolarHBondContact O-OG1 2.78Å
947	E	96.1	Very high	95.2	Very high	83 Å²	83	49.7 Å²	49.7	39%	0.388	25%	0.249	S	C	.	.	H	α-helix	trans	-85.7	-27.9	178.5	-76.3	-173.7	-161.7	0	0	114.2	Q943 F944 Y945 K955	Q943-E947 HydrophobicContact CG-CG 4.28Å; Q943-E947 VanDerWaalsContact CG-OE1 3.31Å; Q943-E947 WeakPolarHBondContact CG-OE1 3.5Å; Q943-E947 PolarHBondContact NE2-OE1 3.02Å; Q943-E947 WeakPolarHBondContact O-CB 3.28Å; Q943-E947 WeakPolarHBondContact O-CG 3.15Å; Q943-E947 PolarHBondContact O-N 3.31Å; F944-E947 PolarHBondContact O-N 3.37Å; Y945-E947 VanDerWaalsContact C-N 3.34Å; Y945-E947 PolarHBondContact O-N 2.87Å; E947-K955 WeakPolarHBondContact O-CB 3.48Å; E947-K955 PolarHBondContact O-N 3.31Å
948	R	95.9	Very high	95.1	Very high	30 Å²	30	46.6 Å²	46.6	11%	0.113	23%	0.229	C	C	.	.	H	α-helix	trans	-122.5	-25.4	-170.3	-56.1	-62.4	-171.1	137	10.4	115.6	T802 D803 F944	T802-R948 PolarHBondContact O-NH1 2.85Å; D803-R948 IonicContact OD2-CZ 2.67Å; D803-R948 IonicContact OD2-NH1 2.8Å; D803-R948 PolarHBondContact OD2-NH1 3.08Å; D803-R948 IonicContact OD2-NH2 3.6Å; D803-R948 PolarHBondContact OD2-NH2 3.23Å; F944-R948 HydrophobicContact CD2-CG 4.21Å; F944-R948 HydrophobicContact CE2-CG 4.3Å; F944-R948 WeakPolarHBondContact O-CB 3.28Å; F944-R948 PolarHBondContact O-N 3.34Å
949	L	95.6	Very high	95	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123	-28.9	-162.5	-59.7	-179.7	0	0	0	115.1	Y800 F816 L851 F944 Y945 R956	Y800-L949 HydrophobicContact CG-CD2 4.23Å; F816-L949 HydrophobicContact CD1-CD1 3.85Å; F816-L949 HydrophobicContact CD2-CD1 4.32Å; F816-L949 HydrophobicContact CE1-CD1 3.6Å; F816-L949 HydrophobicContact CE2-CD1 4.1Å; F816-L949 HydrophobicContact CG-CD1 4.21Å; F816-L949 HydrophobicContact CZ-CD1 3.74Å; L851-L949 HydrophobicContact CB-CD2 4.41Å; L851-L949 HydrophobicContact CD2-CD1 4.11Å; L851-L949 HydrophobicContact CD2-CD2 4.25Å; F944-L949 HydrophobicContact CD1-CD1 4.43Å; F944-L949 HydrophobicContact CE1-CD1 3.86Å; F944-L949 HydrophobicContact CZ-CD1 4.47Å; Y945-L949 HydrophobicContact CD2-CB 3.61Å; Y945-L949 HydrophobicContact CD2-CD1 4.09Å; Y945-L949 HydrophobicContact CD2-CG 4.45Å; Y945-L949 HydrophobicContact CE2-CB 4.01Å; Y945-L949 HydrophobicContact CG-CB 4.41Å; Y945-L949 WeakPolarHBondContact O-CA 3.44Å; Y945-L949 WeakPolarHBondContact O-CB 3.46Å; Y945-L949 PolarHBondContact O-N 3.01Å; L949-R956 PolarHBondContact O-NE 3.46Å; L949-R956 VanDerWaalsContact O-NE 3.08Å; L949-R956 PolarHBondContact O-NH2 2.68Å
950	T	93.1	Very high	95	Very high	19 Å²	19	39.2 Å²	39.2	12%	0.117	20%	0.196	C	C	.	.	S	Bend	trans	-59.5	154.9	172.7	52.7	0	0	0	0	111.6	Y945 R946 E952 A953 R956	Y945-T950 HydrophobicContact CD1-CG2 3.8Å; Y945-T950 HydrophobicContact CE1-CG2 3.17Å; Y945-T950 HydrophobicContact CE2-CG2 4.38Å; Y945-T950 PolarHBondContact O-N 2.97Å; R946-T950 HydrophobicContact CG-CG2 4.41Å; R946-T950 PolarHBondContact O-OG1 2.78Å; T950-E952 PolarHBondContact O-N 3.03Å; T950-A953 VanDerWaalsContact O-CB 3.24Å; T950-A953 WeakPolarHBondContact O-CB 3.46Å; T950-A953 PolarHBondContact O-N 2.91Å; T950-A953 VanDerWaalsContact O-N 3.08Å; T950-A953 WeakPolarHBondContact OG1-CB 3.27Å; T950-A953 PolarHBondContact OG1-N 2.88Å; T950-R956 WeakPolarHBondContact O-CD 3.33Å; T950-R956 PolarHBondContact O-NE 3.27Å
951	V	89.6	Confident	94.9	Very high	37 Å²	37	36.6 Å²	36.6	22%	0.224	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-33.1	178.8	-178.5	0	0	0	0	112.3	P989 L991	V951-P989 HydrophobicContact CG2-CB 4.12Å; V951-P989 HydrophobicContact CG2-CG 3.69Å; V951-L991 HydrophobicContact CG1-CD2 4.27Å; V951-L991 HydrophobicContact CG2-CD2 4.3Å
952	E	89.4	Confident	94.8	Very high	189 Å²	189	36.7 Å²	36.7	88%	0.883	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	5.3	-179.8	-61.3	176.5	-167.5	0	0	113.4	T950 A954	T950-E952 PolarHBondContact O-N 3.03Å; E952-A954 PolarHBondContact O-N 3.45Å
953	A	93.3	Very high	94.7	Very high	6 Å²	6	36.5 Å²	36.5	5%	0.05	18%	0.181	C	C	.	.			trans	-62.2	124	-178.3	0	0	0	0	0	111.8	T950 K955 R956	T950-A953 VanDerWaalsContact O-CB 3.24Å; T950-A953 WeakPolarHBondContact O-CB 3.46Å; T950-A953 PolarHBondContact O-N 2.91Å; T950-A953 VanDerWaalsContact O-N 3.08Å; T950-A953 WeakPolarHBondContact OG1-CB 3.27Å; T950-A953 PolarHBondContact OG1-N 2.88Å; A953-K955 PolarHBondContact O-N 3.47Å; A953-K955 VanDerWaalsContact O-N 3.16Å; A953-R956 HydrophobicContact CB-CB 4.01Å; A953-R956 VanDerWaalsContact O-CB 3.28Å; A953-R956 WeakPolarHBondContact O-CB 3.31Å; A953-R956 PolarHBondContact O-N 3.32Å
954	A	89.8	Confident	94.6	Very high	80 Å²	80	32.3 Å²	32.3	66%	0.661	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.2	-179.3	0	0	0	0	0	113.3	D778 G779 E952	D778-A954 WeakPolarHBondContact CB-O 3.32Å; G779-A954 PolarHBondContact N-O 3.27Å; E952-A954 PolarHBondContact O-N 3.45Å
955	K	94.9	Very high	94.5	Very high	88 Å²	88	32 Å²	32	38%	0.383	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	37.3	176	-56.3	-174.2	173.8	175.7	0	112	D778 E947 A953	D778-K955 WeakPolarHBondContact OD1-CG 3.47Å; E947-K955 WeakPolarHBondContact O-CB 3.48Å; E947-K955 PolarHBondContact O-N 3.31Å; A953-K955 PolarHBondContact O-N 3.47Å; A953-K955 VanDerWaalsContact O-N 3.16Å
956	R	95.6	Very high	94.4	Very high	13 Å²	13	36 Å²	36	5%	0.049	18%	0.177	C	C	.	.			trans	-74.2	129	169.9	-156.1	179.2	-146	-140.4	2.8	109.4	G779 G780 E869 L949 T950 A953	G779-R956 CarbonylContact C-O 3.52Å; G779-R956 WeakPolarHBondContact CA-O 3.29Å; G779-R956 PolarHBondContact N-O 2.89Å; G780-R956 PolarHBondContact N-O 3.11Å; E869-R956 IonicContact OE1-CZ 3.29Å; E869-R956 IonicContact OE1-NH1 3.36Å; E869-R956 PolarHBondContact OE1-NH1 2.53Å; E869-R956 IonicContact OE1-NH2 3.58Å; E869-R956 PolarHBondContact OE1-NH2 2.93Å; E869-R956 IonicContact OE2-CZ 3.35Å; E869-R956 IonicContact OE2-NH1 3.04Å; E869-R956 PolarHBondContact OE2-NH1 2.68Å; E869-R956 IonicContact OE2-NH2 2.72Å; E869-R956 PolarHBondContact OE2-NH2 3.09Å; L949-R956 PolarHBondContact O-NE 3.46Å; L949-R956 VanDerWaalsContact O-NE 3.08Å; L949-R956 PolarHBondContact O-NH2 2.68Å; T950-R956 WeakPolarHBondContact O-CD 3.33Å; T950-R956 PolarHBondContact O-NE 3.27Å; A953-R956 HydrophobicContact CB-CB 4.01Å; A953-R956 VanDerWaalsContact O-CB 3.28Å; A953-R956 WeakPolarHBondContact O-CB 3.31Å; A953-R956 PolarHBondContact O-N 3.32Å
957	H	95.7	Very high	94.2	Very high	7 Å²	7	37 Å²	37	3%	0.032	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	91	-178	-57.3	138.8	0	0	0	109.3	V776 P777 D778 Y800 Q801	V776-H957 HydrophobicContact CB-CB 3.87Å; V776-H957 HydrophobicContact CG1-CB 3.87Å; V776-H957 PolarHBondContact O-CD2 3.25Å; V776-H957 VanDerWaalsContact O-CD2 3.31Å; P777-H957 PolarHBondContact O-CD2 3.42Å; D778-H957 IonicContact OD1-NE2 3.55Å; D778-H957 PolarHBondContact OD1-NE2 2.89Å; Y800-H957 CarbonylContact C-O 3.53Å; Y800-H957 WeakPolarHBondContact CA-O 3.23Å; Q801-H957 HydrophobicContact CB-CB 3.83Å; Q801-H957 PolarHBondContact N-O 3.03Å; Q801-H957 VanDerWaalsContact O-CB 3.29Å; Q801-H957 WeakPolarHBondContact O-CB 3.47Å; Q801-H957 PolarHBondContact O-ND1 3.23Å
958	K	95.7	Very high	93.7	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124	-170.4	-166.1	178.5	178.4	-171.2	0	112.1	G780 W781 Y782 I798 Y799 Y800 E865 E869 S960	G780-K958 PolarHBondContact O-N 3Å; W781-K958 VanDerWaalsContact CA-O 3.3Å; W781-K958 WeakPolarHBondContact CA-O 3.29Å; W781-K958 HydrophobicContact CB-CB 4.18Å; W781-K958 VanDerWaalsContact CD1-CG 3.49Å; W781-K958 HydrophobicContact CD2-CD 4.1Å; W781-K958 HydrophobicContact CG-CB 4.06Å; W781-K958 HydrophobicContact CG-CD 3.91Å; W781-K958 HydrophobicContact CG-CG 4.18Å; Y782-K958 PolarHBondContact N-O 3.48Å; I798-K958 HydrophobicContact CG2-CD 4.5Å; I798-K958 HydrophobicContact CG2-CG 4.27Å; Y799-K958 WeakPolarHBondContact O-CA 3.39Å; Y800-K958 HydrophobicContact CD1-CB 4.44Å; Y800-K958 HydrophobicContact CD1-CD 4.49Å; Y800-K958 HydrophobicContact CD1-CG 4.19Å; Y800-K958 HydrophobicContact CE1-CB 4.44Å; Y800-K958 HydrophobicContact CE1-CD 3.71Å; Y800-K958 HydrophobicContact CE1-CG 3.86Å; Y800-K958 WeakPolarHBondContact OH-CE 3.22Å; E865-K958 VanDerWaalsContact OE1-CE 3.26Å; E865-K958 WeakPolarHBondContact OE1-CE 3.29Å; E865-K958 IonicContact OE1-NZ 3.5Å; E865-K958 PolarHBondContact OE1-NZ 2.97Å; E865-K958 VanDerWaalsContact OE1-NZ 3.09Å; E865-K958 VanDerWaalsContact OE2-CE 3.27Å; E865-K958 WeakPolarHBondContact OE2-CE 3.1Å; E865-K958 IonicContact OE2-NZ 3.57Å; E865-K958 PolarHBondContact OE2-NZ 3.36Å; E869-K958 IonicContact OE1-NZ 3.09Å; E869-K958 PolarHBondContact OE1-NZ 3.46Å; K958-S960 WeakPolarHBondContact CE-OG 3.47Å
959	V	95.6	Very high	92.7	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.9	168	179.2	0	0	0	0	108.3	L691 M695 V776 Y782 Y799 M1003	L691-V959 HydrophobicContact CD1-CB 4.27Å; L691-V959 HydrophobicContact CD1-CG1 3.78Å; M695-V959 HydrophobicContact SD-CB 4.43Å; M695-V959 HydrophobicContact SD-CG1 4.37Å; M695-V959 HydrophobicContact SD-CG2 4.02Å; V776-V959 HydrophobicContact CG2-CG2 3.57Å; Y782-V959 WeakPolarHBondContact O-CA 3.25Å; Y799-V959 PolarHBondContact N-O 2.9Å; Y799-V959 PolarHBondContact O-N 2.69Å; V959-M1003 HydrophobicContact CG1-CE 4.38Å; V959-M1003 HydrophobicContact CG2-CE 4.42Å
960	S	95.8	Very high	91.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.7	179.9	-52.5	0	0	0	0	109.9	W781 Y782 V783 Y784 E865 K958	W781-S960 PolarHBondContact NE1-OG 2.93Å; Y782-S960 PolarHBondContact O-N 3.02Å; V783-S960 WeakPolarHBondContact CA-O 3.4Å; Y784-S960 PolarHBondContact N-O 2.81Å; E865-S960 VanDerWaalsContact OE1-CB 3.24Å; E865-S960 WeakPolarHBondContact OE1-CB 3.45Å; E865-S960 PolarHBondContact OE1-OG 3.4Å; K958-S960 WeakPolarHBondContact CE-OG 3.47Å
961	V	95.8	Very high	91	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	115.2	173.7	175.7	0	0	0	0	109.2	A687 Y690 L691 L694 Y784 I796 E797 V963	A687-V961 HydrophobicContact CB-CB 4.39Å; A687-V961 HydrophobicContact CB-CG1 4.03Å; Y690-V961 HydrophobicContact CD2-CG1 4.31Å; L691-V961 HydrophobicContact CB-CG2 3.91Å; L691-V961 HydrophobicContact CD1-CG2 4.24Å; L694-V961 HydrophobicContact CD1-CG2 3.77Å; Y784-V961 HydrophobicContact CD1-CG1 4.33Å; Y784-V961 WeakPolarHBondContact O-CA 3.42Å; I796-V961 WeakPolarHBondContact CA-O 3.36Å; I796-V961 WeakPolarHBondContact CG1-O 3.27Å; E797-V961 PolarHBondContact N-O 3.46Å; E797-V961 PolarHBondContact O-N 3.27Å; V961-V963 HydrophobicContact CG1-CG2 4.32Å
962	H	95.1	Very high	90.1	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.4	178.5	-66.3	-178.4	0	0	0	109.9	Y784 Q785 Q786 P861 E865	Y784-H962 PolarHBondContact O-N 2.97Å; Q785-H962 WeakPolarHBondContact CA-O 3.37Å; Q785-H962 HydrophobicContact CB-CB 4.24Å; Q785-H962 HydrophobicContact CG-CB 3.98Å; Q786-H962 PolarHBondContact N-O 3.32Å; P861-H962 HydrophobicContact CB-CB 3.81Å; P861-H962 VanDerWaalsContact CB-CG 3.46Å; P861-H962 HydrophobicContact CG-CB 4.01Å; E865-H962 IonicContact OE1-NE2 2.73Å
963	V	95.9	Very high	88.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	110.4	170.2	-177.2	0	0	0	0	107.7	P683 H686 A687 Y690 Q786 N788 C794 G795 V961	P683-V963 HydrophobicContact CB-CB 4.47Å; P683-V963 HydrophobicContact CB-CG1 4.09Å; H686-V963 HydrophobicContact CB-CG1 4.13Å; H686-V963 HydrophobicContact CB-CG2 3.85Å; A687-V963 HydrophobicContact CB-CG2 4Å; Y690-V963 HydrophobicContact CD2-CG2 4.39Å; Q786-V963 CarbonylContact O-C 3.52Å; Q786-V963 WeakPolarHBondContact O-CA 3.29Å; N788-V963 HydrophobicContact CB-CG1 3.78Å; C794-V963 CarbonylContact C-O 3.58Å; C794-V963 VanDerWaalsContact CA-O 3.23Å; C794-V963 WeakPolarHBondContact CA-O 3.35Å; G795-V963 PolarHBondContact N-O 2.78Å; G795-V963 PolarHBondContact O-N 2.91Å; V961-V963 HydrophobicContact CG1-CG2 4.32Å
964	L	95.1	Very high	87.3	Confident	6 Å²	6	39.8 Å²	39.8	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	151.3	178.7	-50.7	-169.9	0	0	0	110.7	Q785 Q786 R787 N788 P861 M968 C971	Q785-L964 HydrophobicContact CG-CD1 4.34Å; Q785-L964 HydrophobicContact CG-CD2 4.24Å; Q785-L964 HydrophobicContact CG-CG 4.13Å; Q786-L964 PolarHBondContact O-N 2.9Å; R787-L964 HydrophobicContact CB-CB 4.45Å; R787-L964 HydrophobicContact CG-CB 4.17Å; N788-L964 PolarHBondContact N-O 3.48Å; P861-L964 HydrophobicContact CG-CD2 3.95Å; L964-M968 HydrophobicContact CB-CB 4.3Å; L964-M968 HydrophobicContact CB-CG 4.49Å; L964-M968 HydrophobicContact CD1-CG 4.45Å; L964-M968 HydrophobicContact CD2-SD 4.15Å; L964-C971 HydrophobicContact CD1-CB 4.36Å; L964-C971 HydrophobicContact CD2-CB 3.73Å
965	S	94.1	Very high	85.5	Confident	8 Å²	8	38.5 Å²	38.5	6%	0.056	21%	0.213	C	C	.	.			trans	-65.8	159.7	169	56.3	0	0	0	0	112	R787 N792 H793 C794 E967 M968	R787-S965 WeakPolarHBondContact CG-O 3.41Å; N792-S965 WeakPolarHBondContact O-CB 3.46Å; H793-S965 WeakPolarHBondContact O-CA 3.5Å; C794-S965 PolarHBondContact SG-N 3.05Å; S965-E967 PolarHBondContact O-N 3.15Å; S965-E967 VanDerWaalsContact O-N 3.15Å; S965-M968 PolarHBondContact O-N 2.76Å; S965-M968 VanDerWaalsContact O-N 3.1Å; S965-M968 VanDerWaalsContact OG-CB 3.25Å; S965-M968 WeakPolarHBondContact OG-CB 3.49Å
966	R	93.6	Very high	83.4	Confident	89 Å²	89	41 Å²	41	34%	0.336	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44	-46.3	176.9	-178.2	179.8	70.2	-151.8	8.5	113.9	R787 N788 E789 V790 H791	R787-R966 WeakPolarHBondContact CD-O 3.42Å; R787-R966 PolarHBondContact NH1-O 2.76Å; R787-R966 VanDerWaalsContact NH1-O 3.09Å; N788-R966 WeakPolarHBondContact O-CA 3.49Å; N788-R966 PolarHBondContact O-N 3.45Å; N788-R966 VanDerWaalsContact O-N 3.12Å; E789-R966 VanDerWaalsContact O-CD 3.28Å; E789-R966 WeakPolarHBondContact O-CD 3.44Å; E789-R966 WeakPolarHBondContact O-CG 3.33Å; V790-R966 PolarHBondContact O-NH1 3.26Å; H791-R966 PolarHBondContact O-N 3.49Å; H791-R966 VanDerWaalsContact O-N 3.09Å
967	E	91.6	Very high	81.3	Confident	116 Å²	116	46.9 Å²	46.9	54%	0.542	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-1.9	-173.6	-70	156.2	-153.8	0	0	114.2	N792 S965 D969	N792-E967 PolarHBondContact ND2-OE2 3.35Å; N792-E967 WeakPolarHBondContact OD1-CB 3.3Å; N792-E967 PolarHBondContact OD1-N 3.26Å; S965-E967 PolarHBondContact O-N 3.15Å; S965-E967 VanDerWaalsContact O-N 3.15Å; E967-D969 PolarHBondContact O-N 2.87Å
968	M	87.4	Confident	78.9	Confident	37 Å²	37	51.6 Å²	51.6	18%	0.182	28%	0.283	C	S	.	.			trans	-89.4	102.4	179.1	-176	174.2	-59.5	0	0	111.3	C794 A860 L964 S965	C794-M968 WeakPolarHBondContact SG-CE 3.44Å; A860-M968 HydrophobicContact CB-CE 3.68Å; A860-M968 HydrophobicContact CB-SD 3.65Å; L964-M968 HydrophobicContact CB-CB 4.3Å; L964-M968 HydrophobicContact CB-CG 4.49Å; L964-M968 HydrophobicContact CD1-CG 4.45Å; L964-M968 HydrophobicContact CD2-SD 4.15Å; S965-M968 PolarHBondContact O-N 2.76Å; S965-M968 VanDerWaalsContact O-N 3.1Å; S965-M968 VanDerWaalsContact OG-CB 3.25Å; S965-M968 WeakPolarHBondContact OG-CB 3.49Å
969	D	74.1	Confident	76.4	Confident	128 Å²	128	53.8 Å²	53.8	68%	0.684	30%	0.301	S	S	*	.			trans	-70.7	-37.8	-171.5	-90.3	-31	0	0	0	115.2	R787 E967	R787-D969 IonicContact CZ-OD1 3.26Å; R787-D969 VanDerWaalsContact CZ-OD1 3.27Å; R787-D969 IonicContact NH1-OD1 2.61Å; R787-D969 PolarHBondContact NH1-OD1 2.92Å; R787-D969 PolarHBondContact NH2-O 3.06Å; R787-D969 IonicContact NH2-OD1 3.41Å; R787-D969 PolarHBondContact NH2-OD1 3.36Å; E967-D969 PolarHBondContact O-N 2.87Å
970	S	77.1	Confident	73.9	Confident	89 Å²	89	60.5 Å²	60.5	62%	0.622	33%	0.333	S	S	*	.			trans	-148	147.3	174.1	64.2	0	0	0	0	111.1
971	C	75.6	Confident	71.5	Confident	16 Å²	16	65.3 Å²	65.3	11%	0.108	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-93.9	128.8	168.4	-174.7	0	0	0	0	109	H862 L964	H862-C971 PolarHBondContact ND1-SG 2.99Å; L964-C971 HydrophobicContact CD1-CB 4.36Å; L964-C971 HydrophobicContact CD2-CB 3.73Å
972	P	71.1	Confident	69.3	Low	53 Å²	53	70 Å²	70	34%	0.344	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-50.1	150.6	165.3	-29.6	35.2	0	0	0	113	V974	P972-V974 PolarHBondContact O-N 2.85Å
973	I	63.5	Low	67.3	Low	88 Å²	88	76.3 Å²	76.3	45%	0.451	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-66.2	132.7	175.5	-58.6	-179.3	0	0	0	108.8	G975 E976 V994	I973-G975 PolarHBondContact O-N 3.44Å; I973-G975 VanDerWaalsContact O-N 3.08Å; I973-E976 HydrophobicContact CB-CG 3.99Å; I973-E976 HydrophobicContact CG2-CG 4.23Å; I973-E976 PolarHBondContact O-N 3.49Å; I973-E976 VanDerWaalsContact O-N 3.17Å; I973-V994 HydrophobicContact CG2-CG1 4.27Å
974	V	59.4	Low	66.1	Low	12 Å²	12	83.8 Å²	83.8	7%	0.073	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	111.8	-177	-158.6	0	0	0	0	109.3	W781 H862 E865 P972 L991	W781-V974 HydrophobicContact CH2-CB 3.64Å; W781-V974 HydrophobicContact CH2-CG1 3.65Å; W781-V974 HydrophobicContact CH2-CG2 4.27Å; W781-V974 HydrophobicContact CZ2-CB 4.13Å; W781-V974 HydrophobicContact CZ2-CG1 4.13Å; W781-V974 HydrophobicContact CZ2-CG2 4.25Å; H862-V974 HydrophobicContact CB-CB 4.36Å; H862-V974 HydrophobicContact CB-CG1 4.27Å; H862-V974 HydrophobicContact CB-CG2 3.89Å; E865-V974 HydrophobicContact CB-CG1 3.9Å; E865-V974 HydrophobicContact CG-CG1 4.39Å; P972-V974 PolarHBondContact O-N 2.85Å; V974-L991 HydrophobicContact CG1-CD1 3.76Å
975	G	53.5	Low	65.3	Low	53 Å²	53	85.7 Å²	85.7	55%	0.546	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	112.3	-9.7	-177.8	0	0	0	0	0	116	I973	I973-G975 PolarHBondContact O-N 3.44Å; I973-G975 VanDerWaalsContact O-N 3.08Å
976	E	51.1	Low	64.6	Low	142 Å²	142	87 Å²	87	66%	0.664	48%	0.483	S	S	*	.	S	Bend	trans	-86.6	-3.4	-178.3	-70.9	-164	142.8	0	0	115.3	I973	I973-E976 HydrophobicContact CB-CG 3.99Å; I973-E976 HydrophobicContact CG2-CG 4.23Å; I973-E976 PolarHBondContact O-N 3.49Å; I973-E976 VanDerWaalsContact O-N 3.17Å
977	F	50.2	Low	63.8	Low	136 Å²	136	86.2 Å²	86.2	60%	0.596	49%	0.49	S	S	*	.	S	Bend	trans	-102.3	147.6	169.2	-103.3	-106.1	0	0	0	110.6	A979	F977-A979 PolarHBondContact O-N 3.26Å
978	P	44.7	Very low	63.1	Low	106 Å²	106	81.7 Å²	81.7	69%	0.688	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-55	135.8	157.3	28	-33.6	0	0	0	107.3	Q980	P978-Q980 PolarHBondContact O-N 3.04Å
979	A	43.7	Very low	62.5	Low	47 Å²	47	81 Å²	81	39%	0.388	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-49	121.9	169.6	0	0	0	0	0	107.5	F977 N981 A988	F977-A979 PolarHBondContact O-N 3.26Å; A979-N981 PolarHBondContact O-N 2.9Å; A979-A988 HydrophobicContact CB-CB 4.4Å
980	Q	43.2	Very low	62.4	Low	142 Å²	142	80.6 Å²	80.6	66%	0.664	48%	0.477	S	S	*	.			trans	-67	88.5	169.3	-83.1	-173.1	-24.7	0	0	106	P978 D982	P978-Q980 PolarHBondContact O-N 3.04Å; Q980-D982 PolarHBondContact O-N 3.37Å
981	N	44.8	Very low	62.4	Low	102 Å²	102	77.8 Å²	77.8	55%	0.545	46%	0.455	S	S	.	.			trans	-70.2	68.1	168.9	-68.8	-21.5	0	0	0	107.2	A979 V983	A979-N981 PolarHBondContact O-N 2.9Å; N981-V983 PolarHBondContact O-N 2.86Å; N981-V983 VanDerWaalsContact O-N 3.14Å
982	D	51.6	Low	62.1	Low	99 Å²	99	80.1 Å²	80.1	53%	0.529	47%	0.47	S	S	.	.			trans	-46.7	117.1	153.5	-147.1	-25.7	0	0	0	105.7	Q980 N984 L985	Q980-D982 PolarHBondContact O-N 3.37Å; D982-N984 PolarHBondContact O-N 3.43Å; D982-L985 HydrophobicContact CB-CB 4.49Å; D982-L985 HydrophobicContact CB-CD1 3.84Å; D982-L985 HydrophobicContact CB-CG 4.05Å; D982-L985 PolarHBondContact O-N 3.05Å
983	V	53	Low	61.8	Low	134 Å²	134	87 Å²	87	81%	0.812	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-10.4	-144.9	-171.4	0	0	0	0	113.1	N981	N981-V983 PolarHBondContact O-N 2.86Å; N981-V983 VanDerWaalsContact O-N 3.14Å
984	N	69.8	Low	62.2	Low	157 Å²	157	83.9 Å²	83.9	84%	0.84	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-3.7	-179.3	-53.1	-43.4	0	0	0	114	D982	D982-N984 PolarHBondContact O-N 3.43Å
985	L	78.2	Confident	62.6	Low	46 Å²	46	87.7 Å²	87.7	24%	0.241	50%	0.503	C	S	.	.	S	Bend	trans	-95.8	149.9	-175.6	-66.9	-173.7	0	0	0	113.6	E832 D982	E832-L985 HydrophobicContact CG-CD2 3.86Å; D982-L985 HydrophobicContact CB-CB 4.49Å; D982-L985 HydrophobicContact CB-CD1 3.84Å; D982-L985 HydrophobicContact CB-CG 4.05Å; D982-L985 PolarHBondContact O-N 3.05Å
986	A	79.4	Confident	62.9	Low	35 Å²	35	88.9 Å²	88.9	29%	0.289	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-62.5	131.9	173.3	0	0	0	0	0	110.9	R867	R867-A986 PolarHBondContact NH1-O 2.93Å; R867-A986 PolarHBondContact NH2-O 2.82Å
987	P	77.6	Confident	63.4	Low	73 Å²	73	83.7 Å²	83.7	47%	0.474	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-75.1	129.7	-174.3	29.1	-34.8	0	0	0	111.9
988	A	77.1	Confident	63.4	Low	20 Å²	20	82.3 Å²	82.3	17%	0.165	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-62.5	144.7	174.3	0	0	0	0	0	111.4	S866 A870 A979	S866-A988 WeakPolarHBondContact O-CB 3.44Å; A870-A988 HydrophobicContact CB-CB 4.46Å; A979-A988 HydrophobicContact CB-CB 4.4Å
989	P	74.2	Confident	63.6	Low	23 Å²	23	78.8 Å²	78.8	15%	0.149	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-69.1	158.6	169.7	30.5	-34	0	0	0	111.2	E869 V951 L991	E869-P989 HydrophobicContact CB-CG 3.92Å; V951-P989 HydrophobicContact CG2-CB 4.12Å; V951-P989 HydrophobicContact CG2-CG 3.69Å; P989-L991 HydrophobicContact CG-CD2 4.17Å; P989-L991 PolarHBondContact O-N 3.45Å
990	S	72.4	Confident	63.5	Low	119 Å²	119	82 Å²	82	83%	0.832	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-63.3	131	165.8	-56.7	0	0	0	0	109.5
991	L	75.3	Confident	63.4	Low	31 Å²	31	82 Å²	82	16%	0.162	49%	0.488	C	S	.	.			trans	-104.1	144.7	-177.3	-60.6	174.9	0	0	0	110.8	W781 E869 V951 V974 P989	W781-L991 HydrophobicContact CH2-CB 4.19Å; W781-L991 HydrophobicContact CH2-CD1 4.09Å; W781-L991 HydrophobicContact CZ3-CB 3.93Å; E869-L991 HydrophobicContact CB-CD2 4.18Å; E869-L991 HydrophobicContact CG-CD1 4.41Å; E869-L991 HydrophobicContact CG-CD2 3.81Å; V951-L991 HydrophobicContact CG1-CD2 4.27Å; V951-L991 HydrophobicContact CG2-CD2 4.3Å; V974-L991 HydrophobicContact CG1-CD1 3.76Å; P989-L991 HydrophobicContact CG-CD2 4.17Å; P989-L991 PolarHBondContact O-N 3.45Å
992	P	70.1	Confident	63.7	Low	65 Å²	65	82.9 Å²	82.9	42%	0.422	48%	0.483	S	S	.	.			trans	-72.1	165.1	-179.9	30	-34.2	0	0	0	111.8	W781 V994	W781-P992 HydrophobicContact CE3-CG 4.07Å; W781-P992 HydrophobicContact CZ3-CG 4.45Å; W781-P992 WeakPolarHBondContact CZ3-O 3.49Å; P992-V994 PolarHBondContact O-N 3.04Å
993	Q	65.3	Low	63.7	Low	198 Å²	198	79.8 Å²	79.8	93%	0.925	47%	0.466	S	S	*	.			trans	-61.5	137.1	172	-74.9	-171.7	-36.4	0	0	111
994	V	70.8	Confident	63.4	Low	21 Å²	21	78.9 Å²	78.9	13%	0.127	46%	0.461	C	S	.	.			trans	-108.5	142.1	-171.5	63.3	0	0	0	0	112	W781 V783 I973 P992 T996	W781-V994 HydrophobicContact CB-CG2 4.42Å; W781-V994 HydrophobicContact CD2-CB 3.89Å; W781-V994 HydrophobicContact CD2-CG2 3.5Å; W781-V994 VanDerWaalsContact CD2-CG2 3.5Å; W781-V994 HydrophobicContact CE3-CB 3.65Å; W781-V994 HydrophobicContact CE3-CG2 3.84Å; W781-V994 HydrophobicContact CG-CB 4.47Å; W781-V994 HydrophobicContact CG-CG2 3.74Å; W781-V994 HydrophobicContact CH2-CB 4.46Å; W781-V994 HydrophobicContact CZ2-CG2 4.32Å; W781-V994 HydrophobicContact CZ3-CB 3.96Å; W781-V994 HydrophobicContact CZ3-CG2 4.39Å; V783-V994 HydrophobicContact CB-CG2 4.12Å; V783-V994 HydrophobicContact CG2-CG2 3.57Å; I973-V994 HydrophobicContact CG2-CG1 4.27Å; P992-V994 PolarHBondContact O-N 3.04Å; V994-T996 PolarHBondContact O-N 3.16Å; V994-T996 VanDerWaalsContact O-N 3.16Å
995	N	68.3	Low	62.6	Low	93 Å²	93	77.1 Å²	77.1	50%	0.497	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	86.7	170.7	-69	-54.5	0	0	0	109.7	W781 Y782 V783	W781-N995 PolarHBondContact O-N 3.45Å; W781-N995 VanDerWaalsContact O-N 3.12Å; Y782-N995 WeakPolarHBondContact CA-O 3.14Å; Y782-N995 HydrophobicContact CD1-CB 3.72Å; Y782-N995 HydrophobicContact CE1-CB 3.98Å; V783-N995 PolarHBondContact N-O 3.38Å; V783-N995 VanDerWaalsContact N-O 3.1Å
996	T	60.7	Low	61.2	Low	77 Å²	77	78.6 Å²	78.6	47%	0.472	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	130.1	173.5	-43.8	0	0	0	0	110.5	V783 V994	V783-T996 HydrophobicContact CB-CG2 4.44Å; V783-T996 HydrophobicContact CG1-CG2 4.24Å; V994-T996 PolarHBondContact O-N 3.16Å; V994-T996 VanDerWaalsContact O-N 3.16Å
997	T	60.5	Low	59.6	Low	33 Å²	33	77.4 Å²	77.4	20%	0.202	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	137.2	173.4	53	0	0	0	0	110.6	V783	V783-T997 PolarHBondContact O-N 3.25Å; V783-T997 PolarHBondContact O-OG1 3.2Å
998	S	51.6	Low	58	Low	107 Å²	107	77.3 Å²	77.3	75%	0.748	44%	0.441	S	S	*	.			trans	-119.3	134.2	172.7	50.6	0	0	0	0	109.6
999	G	49.1	Very low	56.4	Low	32 Å²	32	79.5 Å²	79.5	33%	0.33	45%	0.449	S	S	.	.	S	Bend	trans	79.6	-178.6	-173.9	0	0	0	0	0	114.6	Y784 Q1001	Y784-G999 WeakPolarHBondContact CE2-O 3.34Å; G999-Q1001 VanDerWaalsContact C-N 3.27Å; G999-Q1001 PolarHBondContact O-N 3.29Å
1000	S	40.6	Very low	54.8	Low	116 Å²	116	81.3 Å²	81.3	81%	0.811	46%	0.455	S	S	*	.	S	Bend	trans	-80.1	36.3	-156.1	-42.9	0	0	0	0	116.7	R1002	S1000-R1002 PolarHBondContact O-N 3.29Å
1001	Q	41.2	Very low	53.3	Low	142 Å²	142	82.3 Å²	82.3	66%	0.664	45%	0.449	S	S	*	.			trans	-77.6	107.3	177.9	-67.6	-169.2	-4.4	0	0	111.4	G999	G999-Q1001 VanDerWaalsContact C-N 3.27Å; G999-Q1001 PolarHBondContact O-N 3.29Å
1002	R	50.9	Low	51.7	Low	119 Å²	119	85.1 Å²	85.1	45%	0.449	46%	0.461	S	S	.	.			trans	-71.4	139.8	174	-61.3	-172.1	-172.5	-176	4.8	110.9	G699 E704 S1000	G699-R1002 PolarHBondContact O-NH2 3.01Å; E704-R1002 IonicContact OE1-NH2 2.86Å; S1000-R1002 PolarHBondContact O-N 3.29Å
1003	M	52.1	Low	50.2	Low	35 Å²	35	85.4 Å²	85.4	17%	0.172	46%	0.456	C	S	.	.			trans	-73.5	149.7	171.3	-59.9	-179	-161.7	0	0	110.6	V774 Y782 V959	V774-M1003 HydrophobicContact CG1-CB 3.86Å; V774-M1003 HydrophobicContact CG1-SD 4.42Å; Y782-M1003 VanDerWaalsContact CB-CE 3.48Å; Y782-M1003 HydrophobicContact CD1-CE 4.04Å; Y782-M1003 HydrophobicContact CD1-SD 4.38Å; Y782-M1003 HydrophobicContact CD2-CE 4.36Å; Y782-M1003 HydrophobicContact CD2-SD 4.33Å; Y782-M1003 HydrophobicContact CG-CE 3.7Å; Y782-M1003 HydrophobicContact CG-SD 4.14Å; V959-M1003 HydrophobicContact CG1-CE 4.38Å; V959-M1003 HydrophobicContact CG2-CE 4.42Å
1004	T	45.4	Very low	48.6	Very low	115 Å²	115	79.5 Å²	79.5	71%	0.706	43%	0.433	S	S	*	.			trans	-113.1	1.8	-160.3	48.7	0	0	0	0	116.3
1005	F	53.4	Low	46.5	Very low	120 Å²	120	84 Å²	84	53%	0.526	46%	0.457	S	S	.	.			trans	-104.4	141	178.9	-56.8	-74.3	0	0	0	110.5	V774 Q775 P777	V774-F1005 CarbonylContact C-O 3.58Å; V774-F1005 WeakPolarHBondContact CA-O 2.91Å; V774-F1005 WeakPolarHBondContact CG1-O 3.48Å; Q775-F1005 HydrophobicContact CB-CB 4.43Å; Q775-F1005 PolarHBondContact N-O 2.9Å; Q775-F1005 VanDerWaalsContact O-CB 3.28Å; Q775-F1005 WeakPolarHBondContact O-CB 3.24Å; P777-F1005 HydrophobicContact CG-CD2 4.14Å; P777-F1005 HydrophobicContact CG-CE2 4.24Å
1006	I	48.4	Very low	44.6	Very low	76 Å²	76	85.7 Å²	85.7	39%	0.39	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-143.5	133.1	-166	-45.9	-179.7	0	0	0	111.8	E697 R772	E697-I1006 HydrophobicContact CG-CD1 4.32Å; R772-I1006 HydrophobicContact CB-CG2 3.34Å; R772-I1006 VanDerWaalsContact CD-CG2 3.5Å; R772-I1006 HydrophobicContact CG-CG2 4.06Å
1007	F	46.7	Very low	42.9	Very low	11 Å²	11	90.8 Å²	90.8	5%	0.048	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-69	158.6	177.1	-82.8	-83.2	0	0	0	113.8	R772 E773 Q775 Q801 M804 V848	R772-F1007 WeakPolarHBondContact CD-O 3.22Å; R772-F1007 WeakPolarHBondContact CG-O 3.39Å; R772-F1007 PolarHBondContact NH1-O 3.47Å; E773-F1007 PolarHBondContact O-N 2.71Å; Q775-F1007 HydrophobicContact CB-CD2 3.59Å; Q775-F1007 HydrophobicContact CB-CE2 3.65Å; Q775-F1007 HydrophobicContact CB-CG 4.05Å; Q775-F1007 HydrophobicContact CB-CZ 4.16Å; Q775-F1007 HydrophobicContact CG-CD1 4.46Å; Q775-F1007 HydrophobicContact CG-CD2 4.1Å; Q775-F1007 HydrophobicContact CG-CE1 4.11Å; Q775-F1007 HydrophobicContact CG-CE2 3.73Å; Q775-F1007 HydrophobicContact CG-CG 4.46Å; Q775-F1007 HydrophobicContact CG-CZ 3.72Å; Q801-F1007 HydrophobicContact CG-CE2 4.42Å; M804-F1007 HydrophobicContact CG-CD1 4.15Å; M804-F1007 HydrophobicContact CG-CE1 4.45Å; V848-F1007 HydrophobicContact CG1-CD2 4.24Å; V848-F1007 HydrophobicContact CG1-CE2 3.98Å; V848-F1007 HydrophobicContact CG1-CZ 4.47Å; V848-F1007 HydrophobicContact CG2-CB 4.05Å; V848-F1007 HydrophobicContact CG2-CD1 4.43Å; V848-F1007 HydrophobicContact CG2-CD2 3.79Å; V848-F1007 HydrophobicContact CG2-CE2 4.3Å; V848-F1007 HydrophobicContact CG2-CG 3.87Å
1008	P	43.6	Very low	41.2	Very low	71 Å²	71	100.4 Å²	100.4	46%	0.461	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-68.6	155	160.5	30.6	-34.9	0	0	0	112.3	M804	M804-P1008 HydrophobicContact CE-CG 4.27Å; M804-P1008 VanDerWaalsContact CE-O 3.24Å; M804-P1008 WeakPolarHBondContact CE-O 3.2Å; M804-P1008 HydrophobicContact SD-CG 3.87Å
1009	L	44	Very low	40	Very low	65 Å²	65	102 Å²	102	34%	0.34	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-72.9	147	170.8	-66.9	172.5	0	0	0	110.9	R770 R772	R770-L1009 HydrophobicContact CB-CD1 4.17Å; R770-L1009 HydrophobicContact CB-CD2 4.12Å; R772-L1009 HydrophobicContact CG-CD2 3.75Å; R772-L1009 HydrophobicContact CG-CG 3.96Å
1010	K	41	Very low	38.9	Very low	61 Å²	61	109.5 Å²	109.5	27%	0.265	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-64.3	135.2	176.3	-178.9	172	173.6	174.1	0	111.4	M804 Q805 Q920	M804-K1010 HydrophobicContact CE-CB 4.1Å; Q805-K1010 HydrophobicContact CB-CD 4.44Å; Q805-K1010 WeakPolarHBondContact O-CD 3.34Å; Q805-K1010 VanDerWaalsContact O-CE 3.22Å; Q805-K1010 WeakPolarHBondContact O-CE 3.31Å; Q805-K1010 PolarHBondContact O-NZ 2.73Å; Q920-K1010 HydrophobicContact CG-CD 4.22Å
1011	I	41.2	Very low	38.3	Very low	140 Å²	140	107.9 Å²	107.9	72%	0.718	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-69.9	135.9	179.7	-59.2	172.9	0	0	0	110.4
1012	K	41.5	Very low	37.7	Very low	91 Å²	91	112.8 Å²	112.8	40%	0.396	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-65.9	129.6	176.5	-63.8	-177.9	177.2	-177.8	0	110.6	Y921 T1014	Y921-K1012 HydrophobicContact CE2-CD 4.34Å; K1012-T1014 PolarHBondContact O-N 3.36Å; K1012-T1014 VanDerWaalsContact O-N 3.12Å
1013	Q	37.8	Very low	37.1	Very low	71 Å²	71	112.5 Å²	112.5	33%	0.332	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-70.3	-9.9	-173.4	-161.5	165.8	-15	0	0	113.8	N1015 L1016	Q1013-N1015 PolarHBondContact O-N 2.76Å; Q1013-N1015 VanDerWaalsContact O-N 3.14Å; Q1013-L1016 PolarHBondContact O-N 2.87Å
1014	T	30.9	Very low	36.3	Very low	73 Å²	73	116.5 Å²	116.5	45%	0.448	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-57.3	-24.1	177.3	49.1	0	0	0	0	114.7	K1012 L1016	K1012-T1014 PolarHBondContact O-N 3.36Å; K1012-T1014 VanDerWaalsContact O-N 3.12Å; T1014-L1016 VanDerWaalsContact C-N 3.27Å; T1014-L1016 PolarHBondContact O-N 2.74Å
1015	N	26.6	Very low	35.8	Very low	115 Å²	115	116.6 Å²	116.6	62%	0.615	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-76.5	-7.5	-175.9	-72.1	12.6	0	0	0	114.4	Q1013	Q1013-N1015 PolarHBondContact O-N 2.76Å; Q1013-N1015 VanDerWaalsContact O-N 3.14Å
1016	L	28.2	Very low	34.7	Very low	129 Å²	129	116.4 Å²	116.4	68%	0.675	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-87.4	-22.5	179.7	-88	159	0	0	0	114.3	Q1013 T1014 W1018	Q1013-L1016 PolarHBondContact O-N 2.87Å; T1014-L1016 VanDerWaalsContact C-N 3.27Å; T1014-L1016 PolarHBondContact O-N 2.74Å; L1016-W1018 VanDerWaalsContact C-N 3.32Å; L1016-W1018 PolarHBondContact O-N 2.7Å
1017	F	25.3	Very low	33.9	Very low	185 Å²	185	118.9 Å²	118.9	81%	0.811	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-5.7	-177.9	-86	-80.5	0	0	0	115
1018	W	25.1	Very low	33	Very low	234 Å²	234	126.1 Å²	126.1	89%	0.886	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	9.7	-179.6	-85	94.1	0	0	0	114.8	L1016	L1016-W1018 VanDerWaalsContact C-N 3.32Å; L1016-W1018 PolarHBondContact O-N 2.7Å
1019	I	26.4	Very low	32.3	Very low	142 Å²	142	130.1 Å²	130.1	73%	0.728	65%	0.649	S	S	*	*	S	Bend	trans	-116.1	-5.4	-177.7	-66.8	177	0	0	0	113
1020	Q	25.4	Very low	31.4	Very low	188 Å²	188	135.1 Å²	135.1	88%	0.879	67%	0.673	S	S	*	*	S	Bend	trans	-120	59.3	173	-71	-168.8	-28.2	0	0	112.3
1021	A	29.1	Very low	30.6	Very low	83 Å²	83	141.3 Å²	141.3	69%	0.686	71%	0.707	S	S	*	*			trans	-148.5	64.5	171.3	0	0	0	0	0	111.2
1022	N	29.2	Very low	29.6	Very low	244 Å²	244	141.4 Å²	141.4	100%	1.305	71%	0.706	S	S	*	*			trans	-153.4	0	166.9	-103.1	-26.2	0	0	0	108.3

Retrieved 1,022 of 1,022 residues in 692.6 ms (Link to these results)

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