A0A3Q0KHN7_SCHMA Loading...

Putative exostosin-3

AlphaFold DB , UniProt , Accession A0A3Q0KHN7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 930 aa.

						>A0A3Q0KHN7_SCHMA|A0A3Q0KHN7
MQNYYLLIRQNRKFLIVCTCLLTIIFLYIIISLWNPYPSVTSHGLTSVDYLTRKEIPHQENNGNLLLNSASTLPFLIDELMRINHSVHDELIDLHQRRKELVDTNTVLQNQVERLRSILVEHSRQIIRLRATLDSYKQTISDNTASSAVFYSKWPVVYLKLNNESINYPVTSSSNELCTIESCINWNRCRFIRFLKFCTDYYGSNNTISFDKLLQSSPHFTERCNIENNSCLKLTFGVEGAQKCIEESELTSTNLPTCIVLFFNALELDQIYRKYNYSTNHLNFLLVAYSFPENTFRRGFDFLLPINYDILCKYSKKICSISSPLSLLPGRRSLLLSFNVGILSKSRLAQNHSSLDNLVIEHLKMLDNDSHKKNESTSFISISINKNSNELESCWSNKYKEFLSRNSLSDTDWFPCEDSSSLLRKSTFGLIMTGAKNSYLSLGLRIQLINCLANGAIPVFIGNNDIYSDEAINSELLSKVIIRVPRPRVEELPALLQSLPEAHIVEIRRQGQILFQRYLKDKSSQLTTLLLAVSRRLGFPQPPAPQWSSLPVYKEFQPPKQYPIHKENNFQVDLDDFLGPIGPQQSSISYQSNYTGPGGSARLASVSFYGGISDVVNPLWLFPSTPWEPPLPSDAAFVPYGSTNHGLRPINHTINLAGYEFNMNLGGMYPYEQFTIVVLTYDRFNLLCQTLESFLNLPYLHSILVVWNNPVPPNPDLSWPQLHVPIKVIRSQNNSLNNRFLPYDLIETDAILSIDDDIQLRHDEIVFGFRVWREHRDQLVGFPARAHFWNGSDSSWFYNSDYMCEFSMILTGAAFFHKYYTFAYTWEMSPDIRNMVNNYFNCEDIAMNFLLAHITRKPPIKVTLHWSFDCVYCGSTLHDRSDHYAARSRCINWLTSHYGYNPLMYSQYRADSVLFKTRIPLGKQKCYKYI
					

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(Predicted Aligned Error values between residue pairs)

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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	53.1	Low	63.6	Low	210 Å²	210	144.6 Å²	144.6	100%	1.034	67%	0.667	S	S	*	*				0	-56.4	0	-79.5	-69	-126.8	0	0	113.2	N3 Y4 Y5	M1-N3 PolarHBondContact O-N 3.47Å; M1-Y4 WeakPolarHBondContact O-CB 3.2Å; M1-Y4 PolarHBondContact O-N 2.96Å; M1-Y4 VanDerWaalsContact O-N 3.13Å; M1-Y5 PolarHBondContact O-N 2.79Å
2	Q	60.2	Low	64.2	Low	169 Å²	169	147 Å²	147	79%	0.79	67%	0.666	S	S	*	*	H	α-helix	trans	-58.6	-42.4	-176.3	-86.2	176.6	-23.2	0	0	115.4	Y4 Y5 L6	Q2-Y4 VanDerWaalsContact C-N 3.26Å; Q2-Y4 PolarHBondContact O-N 2.99Å; Q2-Y5 PolarHBondContact O-N 2.93Å; Q2-Y5 VanDerWaalsContact O-N 3.13Å; Q2-L6 PolarHBondContact O-N 2.77Å; Q2-L6 VanDerWaalsContact O-N 3.11Å
3	N	64.8	Low	65	Low	141 Å²	141	149.5 Å²	149.5	75%	0.754	67%	0.674	S	S	*	*	H	α-helix	trans	-61.6	-34.1	176.4	-80	-7.6	0	0	0	113	M1 L7	M1-N3 PolarHBondContact O-N 3.47Å; N3-L7 WeakPolarHBondContact O-CB 3.09Å; N3-L7 PolarHBondContact O-N 2.83Å; N3-L7 VanDerWaalsContact O-N 3.11Å
4	Y	60.2	Low	65.9	Low	173 Å²	173	148.6 Å²	148.6	68%	0.678	67%	0.669	S	S	*	*	H	α-helix	trans	-67.1	-38.6	176.2	-121.8	-88.5	0	0	0	111.4	M1 Q2 L7 I8	M1-Y4 WeakPolarHBondContact O-CB 3.2Å; M1-Y4 PolarHBondContact O-N 2.96Å; M1-Y4 VanDerWaalsContact O-N 3.13Å; Q2-Y4 VanDerWaalsContact C-N 3.26Å; Q2-Y4 PolarHBondContact O-N 2.99Å; Y4-L7 PolarHBondContact O-N 2.97Å; Y4-I8 HydrophobicContact CD1-CD1 4.2Å; Y4-I8 VanDerWaalsContact O-CG1 3.3Å; Y4-I8 WeakPolarHBondContact O-CG1 3.38Å; Y4-I8 PolarHBondContact O-N 3.35Å
5	Y	60.1	Low	66.6	Low	182 Å²	182	145.1 Å²	145.1	71%	0.714	66%	0.658	S	S	*	*	H	α-helix	trans	-68.7	-39.7	179.4	-132.3	-87.5	0	0	0	112.4	M1 Q2 R9	M1-Y5 PolarHBondContact O-N 2.79Å; Q2-Y5 PolarHBondContact O-N 2.93Å; Q2-Y5 VanDerWaalsContact O-N 3.13Å; Y5-R9 WeakPolarHBondContact O-CB 3.31Å; Y5-R9 PolarHBondContact O-N 3.42Å
6	L	65.1	Low	67.4	Low	102 Å²	102	141.8 Å²	141.8	53%	0.534	65%	0.647	S	S	.	*	H	α-helix	trans	-65	-41.9	174.3	-93.9	154.8	0	0	0	111.9	Q2 R9 Q10	Q2-L6 PolarHBondContact O-N 2.77Å; Q2-L6 VanDerWaalsContact O-N 3.11Å; L6-R9 PolarHBondContact O-N 3.2Å; L6-Q10 PolarHBondContact O-N 2.88Å
7	L	65.2	Low	68.2	Low	103 Å²	103	138.2 Å²	138.2	54%	0.539	64%	0.637	S	S	.	*	H	α-helix	trans	-62.2	-43.7	177.2	-151.4	91.8	0	0	0	111.6	N3 Y4 R9 N11	N3-L7 WeakPolarHBondContact O-CB 3.09Å; N3-L7 PolarHBondContact O-N 2.83Å; N3-L7 VanDerWaalsContact O-N 3.11Å; Y4-L7 PolarHBondContact O-N 2.97Å; L7-R9 VanDerWaalsContact C-N 3.33Å; L7-R9 PolarHBondContact O-N 3.37Å; L7-N11 VanDerWaalsContact O-CB 3.28Å; L7-N11 WeakPolarHBondContact O-CB 3.45Å; L7-N11 PolarHBondContact O-N 2.82Å; L7-N11 PolarHBondContact O-ND2 3.43Å
8	I	61.3	Low	68.9	Low	81 Å²	81	133.4 Å²	133.4	42%	0.415	62%	0.621	S	S	.	*	H	α-helix	trans	-65.5	-36.2	175.7	-68.5	164.8	0	0	0	111.1	Y4 N11 R12	Y4-I8 HydrophobicContact CD1-CD1 4.2Å; Y4-I8 VanDerWaalsContact O-CG1 3.3Å; Y4-I8 WeakPolarHBondContact O-CG1 3.38Å; Y4-I8 PolarHBondContact O-N 3.35Å; I8-N11 CarbonylContact O-C 3.53Å; I8-R12 WeakPolarHBondContact O-CA 3.3Å; I8-R12 WeakPolarHBondContact O-CB 3.47Å; I8-R12 PolarHBondContact O-N 2.95Å
9	R	66.4	Low	69.6	Low	203 Å²	203	130.1 Å²	130.1	77%	0.766	61%	0.611	S	S	*	*	H	α-helix	trans	-73.1	-42.1	-179.1	-148.6	178.4	-173.6	-179.6	1.8	112.2	Y5 L6 L7 R12	Y5-R9 WeakPolarHBondContact O-CB 3.31Å; Y5-R9 PolarHBondContact O-N 3.42Å; L6-R9 PolarHBondContact O-N 3.2Å; L7-R9 VanDerWaalsContact C-N 3.33Å; L7-R9 PolarHBondContact O-N 3.37Å; R9-R12 PolarHBondContact O-N 2.9Å
10	Q	69.6	Low	70.3	Confident	155 Å²	155	126.7 Å²	126.7	72%	0.724	60%	0.601	S	S	*	*	H	α-helix	trans	-66.7	-39.2	174.4	-80.6	-178.5	-20.6	0	0	111.5	L6 R12	L6-Q10 PolarHBondContact O-N 2.88Å; Q10-R12 PolarHBondContact O-N 2.91Å
11	N	73.5	Confident	71	Confident	72 Å²	72	124.9 Å²	124.9	39%	0.385	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.2	14	180	-67.7	-39.7	0	0	0	113.7	L7 I8 K13 F14 L15	L7-N11 VanDerWaalsContact O-CB 3.28Å; L7-N11 WeakPolarHBondContact O-CB 3.45Å; L7-N11 PolarHBondContact O-N 2.82Å; L7-N11 PolarHBondContact O-ND2 3.43Å; I8-N11 CarbonylContact O-C 3.53Å; N11-K13 VanDerWaalsContact C-N 3.27Å; N11-K13 PolarHBondContact O-N 3.44Å; N11-F14 HydrophobicContact CB-CB 4.2Å; N11-F14 CarbonylContact O-C 3.37Å; N11-F14 WeakPolarHBondContact O-CA 3.31Å; N11-F14 WeakPolarHBondContact O-CB 3.45Å; N11-F14 PolarHBondContact O-N 3.29Å; N11-L15 WeakPolarHBondContact O-CB 3.4Å; N11-L15 PolarHBondContact O-N 2.87Å
12	R	70.7	Confident	72.6	Confident	173 Å²	173	120.4 Å²	120.4	65%	0.653	58%	0.575	S	S	*	*	H	α-helix	trans	-58.7	-39.8	-175.9	-159.7	-179.2	-175.3	-170.1	2	112.1	I8 R9 Q10 L15 I16	I8-R12 WeakPolarHBondContact O-CA 3.3Å; I8-R12 WeakPolarHBondContact O-CB 3.47Å; I8-R12 PolarHBondContact O-N 2.95Å; R9-R12 PolarHBondContact O-N 2.9Å; Q10-R12 PolarHBondContact O-N 2.91Å; R12-L15 PolarHBondContact O-N 2.9Å; R12-I16 HydrophobicContact CG-CD1 4.29Å; R12-I16 WeakPolarHBondContact O-CB 3.19Å; R12-I16 WeakPolarHBondContact O-CD1 3.32Å; R12-I16 WeakPolarHBondContact O-CG1 3.39Å; R12-I16 PolarHBondContact O-N 2.83Å
13	K	75.4	Confident	73.7	Confident	179 Å²	179	116 Å²	116	78%	0.778	56%	0.56	S	S	*	*	H	α-helix	trans	-63.9	-43.4	173.2	-70.4	-171.4	178.9	-176.7	0	111.5	N11 I16 V17	N11-K13 VanDerWaalsContact C-N 3.27Å; N11-K13 PolarHBondContact O-N 3.44Å; K13-I16 PolarHBondContact O-N 2.79Å; K13-V17 VanDerWaalsContact O-CG2 3.28Å; K13-V17 WeakPolarHBondContact O-CG2 3.45Å; K13-V17 PolarHBondContact O-N 2.83Å
14	F	77.1	Confident	74.6	Confident	138 Å²	138	114.3 Å²	114.3	61%	0.605	55%	0.55	S	S	*	.	H	α-helix	trans	-65.6	-39.6	178.3	-166.3	-94	0	0	0	112.2	N11 V17 C18	N11-F14 HydrophobicContact CB-CB 4.2Å; N11-F14 CarbonylContact O-C 3.37Å; N11-F14 WeakPolarHBondContact O-CA 3.31Å; N11-F14 WeakPolarHBondContact O-CB 3.45Å; N11-F14 PolarHBondContact O-N 3.29Å; F14-V17 PolarHBondContact O-N 2.89Å; F14-C18 WeakPolarHBondContact O-CB 3.32Å; F14-C18 PolarHBondContact O-N 2.7Å
15	L	76.5	Confident	75.9	Confident	96 Å²	96	110.3 Å²	110.3	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-67.8	-39.4	177.7	-151.8	103.4	0	0	0	111.4	N11 R12 T19	N11-L15 WeakPolarHBondContact O-CB 3.4Å; N11-L15 PolarHBondContact O-N 2.87Å; R12-L15 PolarHBondContact O-N 2.9Å; L15-T19 WeakPolarHBondContact O-CB 3.33Å; L15-T19 WeakPolarHBondContact O-CG2 3.24Å; L15-T19 PolarHBondContact O-N 3.33Å; L15-T19 PolarHBondContact O-OG1 3.4Å
16	I	79.1	Confident	76.9	Confident	92 Å²	92	108.2 Å²	108.2	47%	0.472	53%	0.534	S	S	.	.	H	α-helix	trans	-64.7	-42.2	173.6	-68.3	165	0	0	0	110.5	R12 K13 T19 C20	R12-I16 HydrophobicContact CG-CD1 4.29Å; R12-I16 WeakPolarHBondContact O-CB 3.19Å; R12-I16 WeakPolarHBondContact O-CD1 3.32Å; R12-I16 WeakPolarHBondContact O-CG1 3.39Å; R12-I16 PolarHBondContact O-N 2.83Å; K13-I16 PolarHBondContact O-N 2.79Å; I16-T19 VanDerWaalsContact CA-OG1 3.29Å; I16-T19 WeakPolarHBondContact CA-OG1 3.28Å; I16-T19 PolarHBondContact O-N 3.23Å; I16-T19 PolarHBondContact O-OG1 3.41Å; I16-C20 WeakPolarHBondContact O-CB 3.43Å; I16-C20 PolarHBondContact O-N 2.86Å; I16-C20 PolarHBondContact O-SG 3.23Å
17	V	81.3	Confident	77.5	Confident	81 Å²	81	108 Å²	108	49%	0.491	53%	0.533	S	S	.	.	H	α-helix	trans	-66.8	-43.9	176.9	171.4	0	0	0	0	111.4	K13 F14 T19 C20 L21	K13-V17 VanDerWaalsContact O-CG2 3.28Å; K13-V17 WeakPolarHBondContact O-CG2 3.45Å; K13-V17 PolarHBondContact O-N 2.83Å; F14-V17 PolarHBondContact O-N 2.89Å; V17-T19 PolarHBondContact O-N 3.39Å; V17-C20 PolarHBondContact O-N 3.19Å; V17-L21 HydrophobicContact CG1-CD1 3.91Å; V17-L21 WeakPolarHBondContact O-CB 3.24Å; V17-L21 PolarHBondContact O-N 2.88Å
18	C	81.4	Confident	78.2	Confident	51 Å²	51	111 Å²	111	35%	0.345	54%	0.538	S	S	.	.	H	α-helix	trans	-62.8	-41.3	175.3	-91.6	0	0	0	0	112.3	F14 L21 L22	F14-C18 WeakPolarHBondContact O-CB 3.32Å; F14-C18 PolarHBondContact O-N 2.7Å; C18-L21 PolarHBondContact O-N 3.49Å; C18-L22 VanDerWaalsContact O-CB 3.28Å; C18-L22 WeakPolarHBondContact O-CB 3.31Å; C18-L22 WeakPolarHBondContact O-CG 3.3Å; C18-L22 PolarHBondContact O-N 3.47Å
19	T	81.4	Confident	78.9	Confident	70 Å²	70	110.9 Å²	110.9	43%	0.429	54%	0.537	S	S	.	.	H	α-helix	trans	-67.2	-40.3	175.8	45.9	0	0	0	0	111.2	L15 I16 V17 L22 T23	L15-T19 WeakPolarHBondContact O-CB 3.33Å; L15-T19 WeakPolarHBondContact O-CG2 3.24Å; L15-T19 PolarHBondContact O-N 3.33Å; L15-T19 PolarHBondContact O-OG1 3.4Å; I16-T19 VanDerWaalsContact CA-OG1 3.29Å; I16-T19 WeakPolarHBondContact CA-OG1 3.28Å; I16-T19 PolarHBondContact O-N 3.23Å; I16-T19 PolarHBondContact O-OG1 3.41Å; V17-T19 PolarHBondContact O-N 3.39Å; T19-L22 PolarHBondContact O-N 2.81Å; T19-T23 WeakPolarHBondContact O-CG2 3.43Å; T19-T23 PolarHBondContact O-N 2.83Å; T19-T23 PolarHBondContact O-OG1 2.88Å; T19-T23 VanDerWaalsContact O-OG1 3.05Å
20	C	82.8	Confident	79.1	Confident	62 Å²	62	104.6 Å²	104.6	42%	0.419	52%	0.518	S	S	.	.	H	α-helix	trans	-61.9	-45.9	172.8	-71.3	0	0	0	0	112	I16 V17 T23 I24	I16-C20 WeakPolarHBondContact O-CB 3.43Å; I16-C20 PolarHBondContact O-N 2.86Å; I16-C20 PolarHBondContact O-SG 3.23Å; V17-C20 PolarHBondContact O-N 3.19Å; C20-T23 VanDerWaalsContact C-OG1 3.31Å; C20-T23 VanDerWaalsContact CA-OG1 3.26Å; C20-T23 WeakPolarHBondContact CA-OG1 3.38Å; C20-T23 PolarHBondContact O-N 3.38Å; C20-T23 PolarHBondContact O-OG1 2.97Å; C20-I24 WeakPolarHBondContact O-CB 3.34Å; C20-I24 VanDerWaalsContact O-CG1 3.25Å; C20-I24 WeakPolarHBondContact O-CG1 3.41Å; C20-I24 PolarHBondContact O-N 2.91Å
21	L	86.3	Confident	79	Confident	90 Å²	90	101.8 Å²	101.8	47%	0.471	51%	0.507	S	S	.	.	H	α-helix	trans	-61.6	-45.1	175.7	-87.3	161.4	0	0	0	111.7	V17 C18 T23 I24 I25	V17-L21 HydrophobicContact CG1-CD1 3.91Å; V17-L21 WeakPolarHBondContact O-CB 3.24Å; V17-L21 PolarHBondContact O-N 2.88Å; C18-L21 PolarHBondContact O-N 3.49Å; L21-T23 VanDerWaalsContact C-N 3.33Å; L21-T23 PolarHBondContact O-N 3.22Å; L21-I24 PolarHBondContact O-N 3.48Å; L21-I25 WeakPolarHBondContact O-CB 3.4Å; L21-I25 VanDerWaalsContact O-CG1 3.22Å; L21-I25 WeakPolarHBondContact O-CG1 3.34Å; L21-I25 PolarHBondContact O-N 3.48Å
22	L	85.4	Confident	78.6	Confident	115 Å²	115	101.5 Å²	101.5	60%	0.602	51%	0.511	S	S	*	.	H	α-helix	trans	-62	-40.7	175.1	-83.8	161.4	0	0	0	111.4	C18 T19 I25 F26	C18-L22 VanDerWaalsContact O-CB 3.28Å; C18-L22 WeakPolarHBondContact O-CB 3.31Å; C18-L22 WeakPolarHBondContact O-CG 3.3Å; C18-L22 PolarHBondContact O-N 3.47Å; T19-L22 PolarHBondContact O-N 2.81Å; L22-I25 PolarHBondContact O-N 2.99Å; L22-F26 WeakPolarHBondContact O-CB 3.4Å; L22-F26 PolarHBondContact O-N 3.36Å
23	T	84.1	Confident	78.1	Confident	77 Å²	77	99.8 Å²	99.8	47%	0.472	51%	0.514	S	S	.	.	H	α-helix	trans	-67.5	-35.7	174.7	51.3	0	0	0	0	112.5	T19 C20 L21 F26 L27	T19-T23 WeakPolarHBondContact O-CG2 3.43Å; T19-T23 PolarHBondContact O-N 2.83Å; T19-T23 PolarHBondContact O-OG1 2.88Å; T19-T23 VanDerWaalsContact O-OG1 3.05Å; C20-T23 VanDerWaalsContact C-OG1 3.31Å; C20-T23 VanDerWaalsContact CA-OG1 3.26Å; C20-T23 WeakPolarHBondContact CA-OG1 3.38Å; C20-T23 PolarHBondContact O-N 3.38Å; C20-T23 PolarHBondContact O-OG1 2.97Å; L21-T23 VanDerWaalsContact C-N 3.33Å; L21-T23 PolarHBondContact O-N 3.22Å; T23-F26 PolarHBondContact O-N 3.01Å; T23-L27 VanDerWaalsContact O-CB 3.23Å; T23-L27 WeakPolarHBondContact O-CB 3.31Å; T23-L27 WeakPolarHBondContact O-CD1 3.33Å; T23-L27 WeakPolarHBondContact O-CG 3.24Å; T23-L27 PolarHBondContact O-N 3.37Å
24	I	84.8	Confident	76.9	Confident	106 Å²	106	101.8 Å²	101.8	54%	0.544	52%	0.517	S	S	.	.	H	α-helix	trans	-68	-43.4	174.9	-70.6	164.9	0	0	0	110.2	C20 L21 F26 L27 Y28	C20-I24 WeakPolarHBondContact O-CB 3.34Å; C20-I24 VanDerWaalsContact O-CG1 3.25Å; C20-I24 WeakPolarHBondContact O-CG1 3.41Å; C20-I24 PolarHBondContact O-N 2.91Å; L21-I24 PolarHBondContact O-N 3.48Å; I24-F26 VanDerWaalsContact C-N 3.33Å; I24-L27 PolarHBondContact O-N 2.92Å; I24-Y28 VanDerWaalsContact O-CB 3.25Å; I24-Y28 WeakPolarHBondContact O-CB 3.33Å; I24-Y28 PolarHBondContact O-N 3.19Å
25	I	85.7	Confident	75.3	Confident	89 Å²	89	99.3 Å²	99.3	46%	0.456	51%	0.51	S	S	.	.	H	α-helix	trans	-63.5	-42.3	175.2	-68.6	163.9	0	0	0	109.9	L21 L22 Y28 I29	L21-I25 WeakPolarHBondContact O-CB 3.4Å; L21-I25 VanDerWaalsContact O-CG1 3.22Å; L21-I25 WeakPolarHBondContact O-CG1 3.34Å; L21-I25 PolarHBondContact O-N 3.48Å; L22-I25 PolarHBondContact O-N 2.99Å; I25-Y28 CarbonylContact O-C 3.46Å; I25-Y28 PolarHBondContact O-N 3.45Å; I25-I29 HydrophobicContact CG2-CD1 3.78Å; I25-I29 HydrophobicContact CG2-CG1 4.39Å; I25-I29 WeakPolarHBondContact O-CB 3.3Å; I25-I29 VanDerWaalsContact O-CG1 3.24Å; I25-I29 WeakPolarHBondContact O-CG1 3.3Å; I25-I29 PolarHBondContact O-N 3.47Å
26	F	81.1	Confident	73.8	Confident	138 Å²	138	99.7 Å²	99.7	61%	0.605	52%	0.518	S	S	*	.	H	α-helix	trans	-67.6	-40.9	178.2	-161.1	-99.9	0	0	0	111.6	L22 T23 I24 Y28 I29 I30	L22-F26 WeakPolarHBondContact O-CB 3.4Å; L22-F26 PolarHBondContact O-N 3.36Å; T23-F26 PolarHBondContact O-N 3.01Å; I24-F26 VanDerWaalsContact C-N 3.33Å; F26-Y28 VanDerWaalsContact C-N 3.34Å; F26-I29 PolarHBondContact O-N 2.99Å; F26-I30 HydrophobicContact CD1-CD1 3.55Å; F26-I30 HydrophobicContact CD1-CG1 4.25Å; F26-I30 HydrophobicContact CE1-CD1 3.5Å; F26-I30 HydrophobicContact CE1-CG1 4.21Å; F26-I30 WeakPolarHBondContact O-CB 3.46Å; F26-I30 VanDerWaalsContact O-CG1 3.28Å; F26-I30 WeakPolarHBondContact O-CG1 3.43Å; F26-I30 PolarHBondContact O-N 2.95Å
27	L	79.4	Confident	72	Confident	98 Å²	98	104.5 Å²	104.5	51%	0.513	53%	0.532	S	S	.	.	H	α-helix	trans	-62.4	-41.1	170.4	-89.3	155.3	0	0	0	111.1	T23 I24 I30 I31	T23-L27 VanDerWaalsContact O-CB 3.23Å; T23-L27 WeakPolarHBondContact O-CB 3.31Å; T23-L27 WeakPolarHBondContact O-CD1 3.33Å; T23-L27 WeakPolarHBondContact O-CG 3.24Å; T23-L27 PolarHBondContact O-N 3.37Å; I24-L27 PolarHBondContact O-N 2.92Å; L27-I30 PolarHBondContact O-N 3.29Å; L27-I31 VanDerWaalsContact O-CB 3.31Å; L27-I31 WeakPolarHBondContact O-CB 3.46Å; L27-I31 WeakPolarHBondContact O-CD1 3.43Å; L27-I31 WeakPolarHBondContact O-CG1 3.48Å; L27-I31 PolarHBondContact O-N 2.91Å
28	Y	78.9	Confident	70.3	Confident	165 Å²	165	105.2 Å²	105.2	65%	0.647	54%	0.538	S	S	*	.	H	α-helix	trans	-66	-39.8	176.5	-172.7	-91.8	0	0	0	111.7	I24 I25 F26 I31 S32	I24-Y28 VanDerWaalsContact O-CB 3.25Å; I24-Y28 WeakPolarHBondContact O-CB 3.33Å; I24-Y28 PolarHBondContact O-N 3.19Å; I25-Y28 CarbonylContact O-C 3.46Å; I25-Y28 PolarHBondContact O-N 3.45Å; F26-Y28 VanDerWaalsContact C-N 3.34Å; Y28-I31 CarbonylContact O-C 3.49Å; Y28-I31 PolarHBondContact O-N 2.9Å; Y28-S32 WeakPolarHBondContact O-CB 3.49Å; Y28-S32 PolarHBondContact O-N 3.42Å
29	I	75.8	Confident	68.1	Low	78 Å²	78	108.4 Å²	108.4	40%	0.4	56%	0.561	S	S	.	*	H	α-helix	trans	-66.5	-42.9	174.2	-71.3	166.3	0	0	0	110.1	I25 F26 S32 L33	I25-I29 HydrophobicContact CG2-CD1 3.78Å; I25-I29 HydrophobicContact CG2-CG1 4.39Å; I25-I29 WeakPolarHBondContact O-CB 3.3Å; I25-I29 VanDerWaalsContact O-CG1 3.24Å; I25-I29 WeakPolarHBondContact O-CG1 3.3Å; I25-I29 PolarHBondContact O-N 3.47Å; F26-I29 PolarHBondContact O-N 2.99Å; I29-S32 CarbonylContact O-C 3.57Å; I29-S32 PolarHBondContact O-N 3.18Å; I29-L33 HydrophobicContact CG2-CD1 3.52Å; I29-L33 HydrophobicContact CG2-CG 4.27Å; I29-L33 VanDerWaalsContact O-CB 3.27Å; I29-L33 WeakPolarHBondContact O-CB 3.44Å; I29-L33 VanDerWaalsContact O-CG 3.3Å; I29-L33 WeakPolarHBondContact O-CG 3.43Å; I29-L33 PolarHBondContact O-N 3.11Å
30	I	70.8	Confident	65.9	Low	71 Å²	71	109.7 Å²	109.7	36%	0.364	57%	0.568	S	S	.	*	H	α-helix	trans	-61	-47.1	173.4	-71.9	169.2	0	0	0	109.7	F26 L27 S32 L33 W34	F26-I30 HydrophobicContact CD1-CD1 3.55Å; F26-I30 HydrophobicContact CD1-CG1 4.25Å; F26-I30 HydrophobicContact CE1-CD1 3.5Å; F26-I30 HydrophobicContact CE1-CG1 4.21Å; F26-I30 WeakPolarHBondContact O-CB 3.46Å; F26-I30 VanDerWaalsContact O-CG1 3.28Å; F26-I30 WeakPolarHBondContact O-CG1 3.43Å; F26-I30 PolarHBondContact O-N 2.95Å; L27-I30 PolarHBondContact O-N 3.29Å; I30-S32 VanDerWaalsContact C-N 3.27Å; I30-S32 PolarHBondContact O-N 2.72Å; I30-L33 PolarHBondContact O-N 3.07Å; I30-W34 WeakPolarHBondContact O-CB 3.43Å; I30-W34 PolarHBondContact O-N 3.06Å
31	I	68.7	Low	63.5	Low	96 Å²	96	113.8 Å²	113.8	49%	0.492	59%	0.592	S	S	.	*	H	α-helix	trans	-62.4	-36.5	177.3	-69.7	161.7	0	0	0	110.8	L27 Y28 W34 N35	L27-I31 VanDerWaalsContact O-CB 3.31Å; L27-I31 WeakPolarHBondContact O-CB 3.46Å; L27-I31 WeakPolarHBondContact O-CD1 3.43Å; L27-I31 WeakPolarHBondContact O-CG1 3.48Å; L27-I31 PolarHBondContact O-N 2.91Å; Y28-I31 CarbonylContact O-C 3.49Å; Y28-I31 PolarHBondContact O-N 2.9Å; I31-W34 CarbonylContact O-C 3.53Å; I31-N35 WeakPolarHBondContact O-CB 3.33Å; I31-N35 PolarHBondContact O-N 3.46Å
32	S	63	Low	60.9	Low	67 Å²	67	113.6 Å²	113.6	47%	0.469	60%	0.598	S	S	.	*	H	α-helix	trans	-75	-32.3	177.7	-168.8	0	0	0	0	112.6	Y28 I29 I30 N35	Y28-S32 WeakPolarHBondContact O-CB 3.49Å; Y28-S32 PolarHBondContact O-N 3.42Å; I29-S32 CarbonylContact O-C 3.57Å; I29-S32 PolarHBondContact O-N 3.18Å; I30-S32 VanDerWaalsContact C-N 3.27Å; I30-S32 PolarHBondContact O-N 2.72Å; S32-N35 PolarHBondContact O-N 3.49Å
33	L	60.2	Low	58.3	Low	137 Å²	137	116.5 Å²	116.5	72%	0.717	61%	0.608	S	S	*	*	H	α-helix	trans	-80.9	-30.1	175.1	-75.9	164.2	0	0	0	111.8	I29 I30	I29-L33 HydrophobicContact CG2-CD1 3.52Å; I29-L33 HydrophobicContact CG2-CG 4.27Å; I29-L33 VanDerWaalsContact O-CB 3.27Å; I29-L33 WeakPolarHBondContact O-CB 3.44Å; I29-L33 VanDerWaalsContact O-CG 3.3Å; I29-L33 WeakPolarHBondContact O-CG 3.43Å; I29-L33 PolarHBondContact O-N 3.11Å; I30-L33 PolarHBondContact O-N 3.07Å
34	W	50.7	Low	55.6	Low	221 Å²	221	116.6 Å²	116.6	84%	0.837	62%	0.624	S	S	*	*	S	Bend	trans	-81	0.4	166.7	-97.1	46.4	0	0	0	112.9	I30 I31 P36	I30-W34 WeakPolarHBondContact O-CB 3.43Å; I30-W34 PolarHBondContact O-N 3.06Å; I31-W34 CarbonylContact O-C 3.53Å; W34-P36 WeakPolarHBondContact O-CD 3.43Å
35	N	44.2	Very low	52.9	Low	85 Å²	85	119.6 Å²	119.6	46%	0.455	64%	0.64	S	S	.	*			trans	-93.5	87.5	162.8	-106.7	-28.9	0	0	0	107.7	I31 S32 Y37	I31-N35 WeakPolarHBondContact O-CB 3.33Å; I31-N35 PolarHBondContact O-N 3.46Å; S32-N35 PolarHBondContact O-N 3.49Å; N35-Y37 HydrophobicContact CB-CD2 4.24Å; N35-Y37 HydrophobicContact CB-CE2 4.43Å; N35-Y37 PolarHBondContact O-N 2.93Å
36	P	45.4	Very low	50.2	Low	105 Å²	105	121.5 Å²	121.5	68%	0.682	66%	0.656	S	S	*	*			trans	-65.7	95.1	161	31.9	-32.8	0	0	0	105.8	W34 P38	W34-P36 WeakPolarHBondContact O-CD 3.43Å; P36-P38 WeakPolarHBondContact O-CD 3.29Å
37	Y	41.4	Very low	47.8	Very low	193 Å²	193	120.2 Å²	120.2	76%	0.757	66%	0.664	S	S	*	*			trans	-85.1	89.8	147.4	-82	-86.1	0	0	0	106	N35 S39	N35-Y37 HydrophobicContact CB-CD2 4.24Å; N35-Y37 HydrophobicContact CB-CE2 4.43Å; N35-Y37 PolarHBondContact O-N 2.93Å; Y37-S39 VanDerWaalsContact C-N 3.3Å; Y37-S39 PolarHBondContact O-N 3.34Å
38	P	44.2	Very low	45.5	Very low	95 Å²	95	121.6 Å²	121.6	62%	0.617	68%	0.677	S	S	*	*			trans	-65	107.4	151.6	29.4	-27.4	0	0	0	104.9	P36 V40	P36-P38 WeakPolarHBondContact O-CD 3.29Å; P38-V40 HydrophobicContact CB-CG2 4.27Å; P38-V40 PolarHBondContact O-N 2.99Å
39	S	36.5	Very low	43.2	Very low	119 Å²	119	120.5 Å²	120.5	83%	0.832	68%	0.682	S	S	*	*			trans	-63.5	70.6	156.3	56.1	0	0	0	0	107.9	Y37	Y37-S39 VanDerWaalsContact C-N 3.3Å; Y37-S39 PolarHBondContact O-N 3.34Å
40	V	34.7	Very low	41	Very low	96 Å²	96	127.8 Å²	127.8	58%	0.582	71%	0.706	S	S	*	*			trans	-117.8	102.9	163.7	-178.6	0	0	0	0	104.9	P38 S42	P38-V40 HydrophobicContact CB-CG2 4.27Å; P38-V40 PolarHBondContact O-N 2.99Å; V40-S42 PolarHBondContact O-N 3.4Å
41	T	32.4	Very low	39.2	Very low	149 Å²	149	132 Å²	132	91%	0.914	73%	0.729	S	S	*	*			trans	-46.9	87.9	148.9	43.7	0	0	0	0	108.7
42	S	31.3	Very low	37.4	Very low	85 Å²	85	133.4 Å²	133.4	59%	0.594	74%	0.741	S	S	*	*			trans	-132	112	163.9	59.9	0	0	0	0	108.1	V40	V40-S42 PolarHBondContact O-N 3.4Å
43	H	30.5	Very low	35.8	Very low	177 Å²	177	141.4 Å²	141.4	82%	0.819	76%	0.762	S	S	*	*			trans	5.9	116.8	148.6	-66.6	-77.6	0	0	0	115.5	L45	H43-L45 PolarHBondContact O-N 2.93Å; H43-L45 VanDerWaalsContact O-N 3.08Å
44	G	28.9	Very low	34.4	Very low	78 Å²	78	143.4 Å²	143.4	80%	0.804	76%	0.764	S	S	*	*			trans	-51	111.4	179.1	0	0	0	0	0	112.4
45	L	28.1	Very low	33.4	Very low	169 Å²	169	141.8 Å²	141.8	89%	0.885	77%	0.766	S	S	*	*			trans	-100	90.3	157.8	-82.2	153.7	0	0	0	106.1	H43 S47	H43-L45 PolarHBondContact O-N 2.93Å; H43-L45 VanDerWaalsContact O-N 3.08Å; L45-S47 PolarHBondContact O-N 2.82Å
46	T	28.7	Very low	32.9	Very low	129 Å²	129	144.9 Å²	144.9	79%	0.791	78%	0.781	S	S	*	*			trans	-55.8	105.9	163.6	45.2	0	0	0	0	108.1	V48	T46-V48 PolarHBondContact O-N 3Å
47	S	30.2	Very low	32.2	Very low	111 Å²	111	144.9 Å²	144.9	78%	0.776	78%	0.781	S	S	*	*			trans	-66.8	113.7	165.3	55.2	0	0	0	0	107.7	L45 D49	L45-S47 PolarHBondContact O-N 2.82Å; S47-D49 PolarHBondContact O-N 2.81Å
48	V	31.6	Very low	31.7	Very low	128 Å²	128	144.7 Å²	144.7	78%	0.776	79%	0.787	S	S	*	*			trans	-57.5	114.9	171.5	174.7	0	0	0	0	108.2	T46 Y50	T46-V48 PolarHBondContact O-N 3Å; V48-Y50 PolarHBondContact O-N 2.92Å
49	D	30.7	Very low	31.3	Very low	141 Å²	141	148.5 Å²	148.5	75%	0.754	80%	0.796	S	S	*	*			trans	-52.9	124.6	165.1	-93.8	-35.8	0	0	0	108.8	S47 L51	S47-D49 PolarHBondContact O-N 2.81Å; D49-L51 PolarHBondContact O-N 3.29Å
50	Y	29.1	Very low	31.1	Very low	231 Å²	231	151.2 Å²	151.2	91%	0.906	80%	0.796	S	S	*	*			trans	-57.2	103.8	161	-89.2	-95.2	0	0	0	107.2	V48 T52	V48-Y50 PolarHBondContact O-N 2.92Å; Y50-T52 PolarHBondContact O-N 3.19Å
51	L	31.8	Very low	31.1	Very low	161 Å²	161	153.8 Å²	153.8	84%	0.843	81%	0.806	S	S	*	*			trans	-54.1	98.1	176.9	-81.3	159.6	0	0	0	110.1	D49 R53	D49-L51 PolarHBondContact O-N 3.29Å; L51-R53 VanDerWaalsContact C-N 3.33Å; L51-R53 PolarHBondContact O-N 3.01Å
52	T	32.5	Very low	31.3	Very low	124 Å²	124	153.7 Å²	153.7	76%	0.761	80%	0.8	S	S	*	*			trans	-59.5	100.4	151.5	46	0	0	0	0	107.6	Y50 K54	Y50-T52 PolarHBondContact O-N 3.19Å; T52-K54 VanDerWaalsContact C-N 3.31Å; T52-K54 PolarHBondContact O-N 3.44Å
53	R	28.8	Very low	31.5	Very low	236 Å²	236	152.7 Å²	152.7	89%	0.891	80%	0.803	S	S	*	*			trans	23.1	63.9	141.5	-146.6	-176.2	-61.7	-141.9	2.8	114.5	L51	L51-R53 VanDerWaalsContact C-N 3.33Å; L51-R53 PolarHBondContact O-N 3.01Å
54	K	31.5	Very low	31.9	Very low	179 Å²	179	150.9 Å²	150.9	78%	0.778	80%	0.8	S	S	*	*			trans	-99.4	102.6	166.3	-116.4	-179.4	179.7	177.9	0	106.6	T52 I56	T52-K54 VanDerWaalsContact C-N 3.31Å; T52-K54 PolarHBondContact O-N 3.44Å; K54-I56 PolarHBondContact O-N 3.42Å; K54-I56 VanDerWaalsContact O-N 3.11Å
55	E	29.9	Very low	32.3	Very low	187 Å²	187	154.2 Å²	154.2	87%	0.874	80%	0.798	S	S	*	*			trans	-53.7	110	165.9	-67.5	170.8	168.4	0	0	107.7
56	I	32.4	Very low	33	Very low	149 Å²	149	152.2 Å²	152.2	76%	0.764	79%	0.788	S	S	*	*			trans	-105.1	126	168.6	-62.9	177.9	0	0	0	106.3	K54	K54-I56 PolarHBondContact O-N 3.42Å; K54-I56 VanDerWaalsContact O-N 3.11Å
57	P	32.1	Very low	33.5	Very low	105 Å²	105	153.1 Å²	153.1	68%	0.682	79%	0.787	S	S	*	*			trans	-68.7	148.1	-167.2	27.3	-34.9	0	0	0	112.1	Q59	P57-Q59 PolarHBondContact O-N 2.92Å
58	H	30.1	Very low	34.3	Very low	189 Å²	189	153 Å²	153	88%	0.875	78%	0.777	S	S	*	*			trans	-42.1	105.8	164.7	-69.9	-81.5	0	0	0	111.1
59	Q	34.7	Very low	35.3	Very low	176 Å²	176	149.9 Å²	149.9	82%	0.822	76%	0.762	S	S	*	*			trans	-108.8	101.2	150.6	-86.4	-171.9	-22.9	0	0	107	P57 N61	P57-Q59 PolarHBondContact O-N 2.92Å; Q59-N61 PolarHBondContact O-N 3.16Å
60	E	33.6	Very low	36.5	Very low	175 Å²	175	147.6 Å²	147.6	82%	0.818	76%	0.762	S	S	*	*			trans	-54.2	84.4	160.5	-67.4	176.7	152	0	0	108.9
61	N	34.3	Very low	38.2	Very low	150 Å²	150	141 Å²	141	80%	0.802	75%	0.75	S	S	*	*			trans	-96.4	102.8	155	-96.6	-12.1	0	0	0	106.9	Q59 G63	Q59-N61 PolarHBondContact O-N 3.16Å; N61-G63 PolarHBondContact O-N 3Å
62	N	36.5	Very low	39.5	Very low	148 Å²	148	136.5 Å²	136.5	79%	0.791	73%	0.729	S	S	*	*			trans	-52.5	72.2	163.4	-74.8	-31.8	0	0	0	110.4	N64	N62-N64 PolarHBondContact O-N 3.03Å
63	G	35.8	Very low	41.1	Very low	64 Å²	64	135.7 Å²	135.7	66%	0.66	72%	0.72	S	S	*	*			trans	-86.7	91.6	162.7	0	0	0	0	0	106.8	N61 L65	N61-G63 PolarHBondContact O-N 3Å; G63-L65 PolarHBondContact O-N 3.41Å
64	N	37.7	Very low	43.3	Very low	138 Å²	138	128.5 Å²	128.5	74%	0.738	70%	0.704	S	S	*	*			trans	-42.3	98.6	178.4	-69.9	-33.8	0	0	0	111.6	N62 L66	N62-N64 PolarHBondContact O-N 3.03Å; N64-L66 PolarHBondContact O-N 2.86Å
65	L	38.2	Very low	45.5	Very low	148 Å²	148	126.4 Å²	126.4	78%	0.775	70%	0.695	S	S	*	*			trans	-65.7	91	157.9	-116.4	120.1	0	0	0	105.5	G63 L67	G63-L65 PolarHBondContact O-N 3.41Å; L65-L67 HydrophobicContact CD2-CD1 4.28Å; L65-L67 HydrophobicContact CD2-CG 4.08Å; L65-L67 PolarHBondContact O-N 2.9Å
66	L	41.9	Very low	47.5	Very low	128 Å²	128	122 Å²	122	67%	0.67	68%	0.677	S	S	*	*			trans	-67.4	79.9	164.2	-70.1	161.3	0	0	0	106.6	N64 N68	N64-L66 PolarHBondContact O-N 2.86Å; L66-N68 HydrophobicContact CB-CB 4.25Å; L66-N68 WeakPolarHBondContact CD2-ND2 3.35Å; L66-N68 PolarHBondContact O-N 3.19Å
67	L	41.3	Very low	49.7	Very low	148 Å²	148	119 Å²	119	78%	0.775	66%	0.661	S	S	*	*			trans	-65.9	57.2	154.9	-79.5	155.8	0	0	0	107.7	L65	L65-L67 HydrophobicContact CD2-CD1 4.28Å; L65-L67 HydrophobicContact CD2-CG 4.08Å; L65-L67 PolarHBondContact O-N 2.9Å
68	N	45.1	Very low	52	Low	107 Å²	107	118.9 Å²	118.9	57%	0.572	66%	0.655	S	S	*	*			trans	-96.2	115.3	-175.2	-85.7	4.3	0	0	0	108.7	L66	L66-N68 HydrophobicContact CB-CB 4.25Å; L66-N68 WeakPolarHBondContact CD2-ND2 3.35Å; L66-N68 PolarHBondContact O-N 3.19Å
69	S	53	Low	54.3	Low	64 Å²	64	112.3 Å²	112.3	45%	0.448	63%	0.625	S	S	.	*			trans	89.1	116.7	169.8	80.9	0	0	0	0	115.6	S71 T72	S69-S71 WeakPolarHBondContact CB-OG 3.46Å; S69-S71 PolarHBondContact O-N 3.05Å; S69-S71 PolarHBondContact OG-OG 3.29Å; S69-T72 PolarHBondContact O-N 3.08Å; S69-T72 PolarHBondContact O-OG1 2.72Å
70	A	56.1	Low	56.5	Low	92 Å²	92	109.3 Å²	109.3	76%	0.76	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.1	-13.9	164	0	0	0	0	0	113.3	T72 P74	A70-T72 VanDerWaalsContact C-N 3.31Å; A70-T72 PolarHBondContact O-N 2.95Å; A70-P74 WeakPolarHBondContact O-CD 3.5Å
71	S	64.3	Low	58.7	Low	94 Å²	94	106.1 Å²	106.1	66%	0.657	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-19.3	172.6	40.1	0	0	0	0	114.8	S69	S69-S71 WeakPolarHBondContact CB-OG 3.46Å; S69-S71 PolarHBondContact O-N 3.05Å; S69-S71 PolarHBondContact OG-OG 3.29Å
72	T	59.8	Low	60.9	Low	66 Å²	66	107 Å²	107	41%	0.405	59%	0.592	S	S	.	*	S	Bend	trans	-95.6	-16.4	179.3	54.9	0	0	0	0	113.8	S69 A70 F75 L76	S69-T72 PolarHBondContact O-N 3.08Å; S69-T72 PolarHBondContact O-OG1 2.72Å; A70-T72 VanDerWaalsContact C-N 3.31Å; A70-T72 PolarHBondContact O-N 2.95Å; T72-F75 WeakPolarHBondContact O-CB 3.41Å; T72-F75 PolarHBondContact O-N 2.87Å; T72-L76 PolarHBondContact O-N 3.22Å
73	L	67.2	Low	63.1	Low	107 Å²	107	104.2 Å²	104.2	56%	0.56	58%	0.577	S	S	*	*	H	α-helix	trans	-61.3	-42.8	-179.4	-170.5	72.5	0	0	0	113.3	F75 L76 I77	L73-F75 VanDerWaalsContact C-N 3.3Å; L73-F75 PolarHBondContact O-N 3.33Å; L73-L76 PolarHBondContact O-N 3.44Å; L73-I77 HydrophobicContact CG-CD1 4.01Å; L73-I77 VanDerWaalsContact O-CG1 3.31Å; L73-I77 WeakPolarHBondContact O-CG1 2.92Å; L73-I77 PolarHBondContact O-N 3.28Å
74	P	73.7	Confident	65.4	Low	85 Å²	85	106.4 Å²	106.4	55%	0.552	57%	0.573	S	S	*	*	H	α-helix	trans	-62	-39.2	175	-21.2	33.3	0	0	0	112	A70 I77 D78	A70-P74 WeakPolarHBondContact O-CD 3.5Å; P74-I77 PolarHBondContact O-N 3.06Å; P74-D78 VanDerWaalsContact O-CB 3.3Å; P74-D78 WeakPolarHBondContact O-CB 3.34Å; P74-D78 PolarHBondContact O-N 3.03Å
75	F	77.2	Confident	67.4	Low	134 Å²	134	105.7 Å²	105.7	59%	0.588	57%	0.565	S	S	*	*	H	α-helix	trans	-65.5	-42.7	177.9	179.9	-94.5	0	0	0	112	T72 L73 D78 E79	T72-F75 WeakPolarHBondContact O-CB 3.41Å; T72-F75 PolarHBondContact O-N 2.87Å; L73-F75 VanDerWaalsContact C-N 3.3Å; L73-F75 PolarHBondContact O-N 3.33Å; F75-D78 PolarHBondContact O-N 3.38Å; F75-E79 HydrophobicContact CE1-CG 4Å; F75-E79 HydrophobicContact CZ-CG 3.99Å; F75-E79 WeakPolarHBondContact O-CB 2.85Å; F75-E79 PolarHBondContact O-N 3.49Å
76	L	73.4	Confident	69.7	Low	94 Å²	94	102 Å²	102	49%	0.492	55%	0.552	S	S	.	*	H	α-helix	trans	-66.3	-39.1	176.5	-82.6	162.6	0	0	0	112.6	T72 L73 L80	T72-L76 PolarHBondContact O-N 3.22Å; L73-L76 PolarHBondContact O-N 3.44Å; L76-L80 VanDerWaalsContact O-CB 3.31Å; L76-L80 WeakPolarHBondContact O-CB 3.32Å; L76-L80 WeakPolarHBondContact O-CG 3.23Å; L76-L80 PolarHBondContact O-N 3.46Å
77	I	79	Confident	71.7	Confident	86 Å²	86	99.4 Å²	99.4	44%	0.441	54%	0.541	S	S	.	.	H	α-helix	trans	-65.6	-43.2	174.6	-69.1	169	0	0	0	110.2	L73 P74 L80 M81	L73-I77 HydrophobicContact CG-CD1 4.01Å; L73-I77 VanDerWaalsContact O-CG1 3.31Å; L73-I77 WeakPolarHBondContact O-CG1 2.92Å; L73-I77 PolarHBondContact O-N 3.28Å; P74-I77 PolarHBondContact O-N 3.06Å; I77-L80 PolarHBondContact O-N 3.36Å; I77-M81 HydrophobicContact CG2-CG 4.42Å; I77-M81 HydrophobicContact CG2-SD 4.18Å; I77-M81 WeakPolarHBondContact O-CB 3.28Å; I77-M81 WeakPolarHBondContact O-CG 3.27Å; I77-M81 PolarHBondContact O-N 3.03Å
78	D	79.6	Confident	73.8	Confident	103 Å²	103	97.6 Å²	97.6	55%	0.551	53%	0.528	S	S	*	.	H	α-helix	trans	-64.6	-44.3	178.7	-161.4	55.9	0	0	0	111.5	P74 F75 M81 R82	P74-D78 VanDerWaalsContact O-CB 3.3Å; P74-D78 WeakPolarHBondContact O-CB 3.34Å; P74-D78 PolarHBondContact O-N 3.03Å; F75-D78 PolarHBondContact O-N 3.38Å; D78-M81 PolarHBondContact O-N 3.37Å; D78-R82 WeakPolarHBondContact O-CB 3.41Å; D78-R82 PolarHBondContact O-N 2.95Å
79	E	78.4	Confident	75.7	Confident	51 Å²	51	97.1 Å²	97.1	24%	0.238	53%	0.526	C	S	.	.	H	α-helix	trans	-63	-42.9	172.7	-88.4	-64.5	142.9	0	0	112	F75 M81 R82 I83	F75-E79 HydrophobicContact CE1-CG 4Å; F75-E79 HydrophobicContact CZ-CG 3.99Å; F75-E79 WeakPolarHBondContact O-CB 2.85Å; F75-E79 PolarHBondContact O-N 3.49Å; E79-M81 VanDerWaalsContact C-N 3.33Å; E79-M81 PolarHBondContact O-N 2.94Å; E79-R82 PolarHBondContact O-N 3.38Å; E79-R82 IonicContact OE1-CZ 3.5Å; E79-R82 IonicContact OE1-NE 3.81Å; E79-R82 IonicContact OE1-NH1 3.39Å; E79-R82 PolarHBondContact OE1-NH1 2.89Å; E79-R82 IonicContact OE1-NH2 3.99Å; E79-I83 WeakPolarHBondContact O-CB 3.21Å; E79-I83 WeakPolarHBondContact O-CG1 3.35Å; E79-I83 PolarHBondContact O-N 3Å
80	L	80.1	Confident	77.4	Confident	113 Å²	113	99.6 Å²	99.6	59%	0.592	53%	0.53	S	S	*	.	H	α-helix	trans	-61.6	-41.1	174.8	-88.7	161.3	0	0	0	112.1	L76 I77 N84	L76-L80 VanDerWaalsContact O-CB 3.31Å; L76-L80 WeakPolarHBondContact O-CB 3.32Å; L76-L80 WeakPolarHBondContact O-CG 3.23Å; L76-L80 PolarHBondContact O-N 3.46Å; I77-L80 PolarHBondContact O-N 3.36Å; L80-N84 VanDerWaalsContact O-CB 3.24Å; L80-N84 WeakPolarHBondContact O-CB 3.28Å; L80-N84 PolarHBondContact O-N 3.23Å
81	M	80.5	Confident	78.9	Confident	109 Å²	109	99.4 Å²	99.4	54%	0.537	52%	0.516	S	S	.	.	H	α-helix	trans	-65.6	-39.8	175.4	-77.2	-174.5	58.8	0	0	111.6	I77 D78 E79 N84 H85	I77-M81 HydrophobicContact CG2-CG 4.42Å; I77-M81 HydrophobicContact CG2-SD 4.18Å; I77-M81 WeakPolarHBondContact O-CB 3.28Å; I77-M81 WeakPolarHBondContact O-CG 3.27Å; I77-M81 PolarHBondContact O-N 3.03Å; D78-M81 PolarHBondContact O-N 3.37Å; E79-M81 VanDerWaalsContact C-N 3.33Å; E79-M81 PolarHBondContact O-N 2.94Å; M81-N84 PolarHBondContact O-N 2.77Å; M81-H85 PolarHBondContact O-N 3.2Å
82	R	81.1	Confident	79.9	Confident	167 Å²	167	98.9 Å²	98.9	63%	0.63	51%	0.505	S	S	*	.	H	α-helix	trans	-67	-43.3	177	-159.5	-177.7	101.1	175.9	4.6	111.9	D78 E79 H85 S86	D78-R82 WeakPolarHBondContact O-CB 3.41Å; D78-R82 PolarHBondContact O-N 2.95Å; E79-R82 PolarHBondContact O-N 3.38Å; E79-R82 IonicContact OE1-CZ 3.5Å; E79-R82 IonicContact OE1-NE 3.81Å; E79-R82 IonicContact OE1-NH1 3.39Å; E79-R82 PolarHBondContact OE1-NH1 2.89Å; E79-R82 IonicContact OE1-NH2 3.99Å; R82-H85 PolarHBondContact O-N 3.32Å; R82-S86 WeakPolarHBondContact O-CB 3.49Å; R82-S86 PolarHBondContact O-N 3.28Å
83	I	81.2	Confident	81.4	Confident	91 Å²	91	98.5 Å²	98.5	47%	0.467	50%	0.5	S	S	.	.	H	α-helix	trans	-62.9	-45	173.8	-68.3	165.1	0	0	0	109.8	E79 H85 S86 V87	E79-I83 WeakPolarHBondContact O-CB 3.21Å; E79-I83 WeakPolarHBondContact O-CG1 3.35Å; E79-I83 PolarHBondContact O-N 3Å; I83-H85 PolarHBondContact O-N 2.9Å; I83-S86 PolarHBondContact O-N 3.33Å; I83-V87 HydrophobicContact CG2-CG2 4.16Å; I83-V87 WeakPolarHBondContact O-CB 3.46Å; I83-V87 VanDerWaalsContact O-CG2 3.28Å; I83-V87 WeakPolarHBondContact O-CG2 3.48Å; I83-V87 PolarHBondContact O-N 2.83Å
84	N	84.6	Confident	82.4	Confident	110 Å²	110	97.8 Å²	97.8	59%	0.588	50%	0.496	S	S	*	.	H	α-helix	trans	-64.2	-41.8	179.3	-167.3	22.6	0	0	0	112	L80 M81 H88	L80-N84 VanDerWaalsContact O-CB 3.24Å; L80-N84 WeakPolarHBondContact O-CB 3.28Å; L80-N84 PolarHBondContact O-N 3.23Å; M81-N84 PolarHBondContact O-N 2.77Å; N84-H88 VanDerWaalsContact O-CB 3.24Å; N84-H88 WeakPolarHBondContact O-CB 3.25Å; N84-H88 PolarHBondContact O-N 2.94Å
85	H	80.8	Confident	83	Confident	123 Å²	123	99.1 Å²	99.1	57%	0.569	50%	0.495	S	S	*	.	H	α-helix	trans	-60	-49	170.9	-98.9	73.5	0	0	0	111.4	M81 R82 I83 V87 H88 D89	M81-H85 PolarHBondContact O-N 3.2Å; R82-H85 PolarHBondContact O-N 3.32Å; I83-H85 PolarHBondContact O-N 2.9Å; H85-V87 VanDerWaalsContact C-N 3.35Å; H85-V87 PolarHBondContact O-N 3.4Å; H85-H88 PolarHBondContact O-N 2.9Å; H85-D89 WeakPolarHBondContact O-CB 3.48Å; H85-D89 VanDerWaalsContact O-CG 3.3Å; H85-D89 PolarHBondContact O-N 3.02Å
86	S	85.2	Confident	83.6	Confident	71 Å²	71	98.3 Å²	98.3	50%	0.497	49%	0.493	S	S	.	.	H	α-helix	trans	-59.4	-43.7	179.5	-172.6	0	0	0	0	112.5	R82 I83 E90	R82-S86 WeakPolarHBondContact O-CB 3.49Å; R82-S86 PolarHBondContact O-N 3.28Å; I83-S86 PolarHBondContact O-N 3.33Å; S86-E90 VanDerWaalsContact O-CB 3.3Å; S86-E90 WeakPolarHBondContact O-CB 3.27Å; S86-E90 PolarHBondContact O-N 3.05Å
87	V	84.3	Confident	84.5	Confident	72 Å²	72	100.3 Å²	100.3	44%	0.436	49%	0.494	S	S	.	.	H	α-helix	trans	-68.5	-39	178.2	170.9	0	0	0	0	110.5	I83 H85 E90 L91	I83-V87 HydrophobicContact CG2-CG2 4.16Å; I83-V87 WeakPolarHBondContact O-CB 3.46Å; I83-V87 VanDerWaalsContact O-CG2 3.28Å; I83-V87 WeakPolarHBondContact O-CG2 3.48Å; I83-V87 PolarHBondContact O-N 2.83Å; H85-V87 VanDerWaalsContact C-N 3.35Å; H85-V87 PolarHBondContact O-N 3.4Å; V87-E90 PolarHBondContact O-N 3.04Å; V87-L91 VanDerWaalsContact O-CB 3.31Å; V87-L91 WeakPolarHBondContact O-CB 3.36Å; V87-L91 PolarHBondContact O-N 3.36Å
88	H	84.4	Confident	85.1	Confident	111 Å²	111	104.6 Å²	104.6	51%	0.514	51%	0.505	S	S	.	.	H	α-helix	trans	-65.4	-45.6	177.5	-166	72.9	0	0	0	111.8	N84 H85 E90 L91 I92	N84-H88 VanDerWaalsContact O-CB 3.24Å; N84-H88 WeakPolarHBondContact O-CB 3.25Å; N84-H88 PolarHBondContact O-N 2.94Å; H85-H88 PolarHBondContact O-N 2.9Å; H88-E90 VanDerWaalsContact C-N 3.34Å; H88-E90 PolarHBondContact O-N 3.38Å; H88-L91 PolarHBondContact O-N 3Å; H88-I92 WeakPolarHBondContact O-CG1 3.22Å; H88-I92 PolarHBondContact O-N 3.38Å
89	D	85.6	Confident	85.6	Confident	96 Å²	96	106.3 Å²	106.3	51%	0.513	51%	0.507	S	S	.	.	H	α-helix	trans	-61.7	-42.4	176.2	-70.3	-20.4	0	0	0	111.2	H85 I92 D93	H85-D89 WeakPolarHBondContact O-CB 3.48Å; H85-D89 VanDerWaalsContact O-CG 3.3Å; H85-D89 PolarHBondContact O-N 3.02Å; D89-I92 PolarHBondContact O-N 3Å; D89-D93 PolarHBondContact O-N 2.87Å
90	E	88.8	Confident	86.2	Confident	117 Å²	117	109.7 Å²	109.7	55%	0.547	52%	0.523	S	S	.	.	H	α-helix	trans	-66	-37.2	175.7	-166.3	178.3	-167.9	0	0	112	S86 V87 H88 D93 L94	S86-E90 VanDerWaalsContact O-CB 3.3Å; S86-E90 WeakPolarHBondContact O-CB 3.27Å; S86-E90 PolarHBondContact O-N 3.05Å; V87-E90 PolarHBondContact O-N 3.04Å; H88-E90 VanDerWaalsContact C-N 3.34Å; H88-E90 PolarHBondContact O-N 3.38Å; E90-D93 PolarHBondContact O-N 2.86Å; E90-L94 HydrophobicContact CG-CD1 4.41Å; E90-L94 WeakPolarHBondContact O-CB 3.35Å; E90-L94 WeakPolarHBondContact O-CG 3.34Å; E90-L94 PolarHBondContact O-N 2.93Å
91	L	87.1	Confident	86.7	Confident	88 Å²	88	110 Å²	110	46%	0.461	53%	0.525	S	S	.	.	H	α-helix	trans	-66.5	-39.2	176.6	-152	106.2	0	0	0	111.6	V87 H88 H95	V87-L91 VanDerWaalsContact O-CB 3.31Å; V87-L91 WeakPolarHBondContact O-CB 3.36Å; V87-L91 PolarHBondContact O-N 3.36Å; H88-L91 PolarHBondContact O-N 3Å; L91-H95 WeakPolarHBondContact O-CB 3.1Å; L91-H95 PolarHBondContact O-N 2.71Å; L91-H95 PolarHBondContact O-ND1 3.3Å
92	I	86.6	Confident	87.2	Confident	82 Å²	82	108.4 Å²	108.4	42%	0.421	52%	0.521	S	S	.	.	H	α-helix	trans	-63.9	-47.8	174.7	-69.3	168.8	0	0	0	110.2	H88 D89 L94 H95 Q96	H88-I92 WeakPolarHBondContact O-CG1 3.22Å; H88-I92 PolarHBondContact O-N 3.38Å; D89-I92 PolarHBondContact O-N 3Å; I92-L94 PolarHBondContact O-N 3.16Å; I92-H95 PolarHBondContact O-N 3.18Å; I92-Q96 PolarHBondContact O-N 3.31Å
93	D	89.8	Confident	87.7	Confident	58 Å²	58	104.4 Å²	104.4	31%	0.31	51%	0.512	S	S	.	.	H	α-helix	trans	-59.8	-43.7	177.1	-177.8	55.1	0	0	0	111.6	D89 E90 H95 Q96 R97	D89-D93 PolarHBondContact O-N 2.87Å; E90-D93 PolarHBondContact O-N 2.86Å; D93-H95 PolarHBondContact O-N 2.64Å; D93-Q96 PolarHBondContact O-N 2.88Å; D93-R97 PolarHBondContact O-N 3.41Å; D93-R97 IonicContact OD1-CZ 3.1Å; D93-R97 IonicContact OD1-NH2 3.58Å; D93-R97 IonicContact OD2-CZ 3.86Å; D93-R97 IonicContact OD2-NE 3.18Å; D93-R97 IonicContact OD2-NH1 3.01Å; D93-R97 PolarHBondContact OD2-NH1 2.67Å; D93-R97 IonicContact OD2-NH2 3.77Å; D93-R97 PolarHBondContact OD2-NH2 3.07Å
94	L	88.6	Confident	88.2	Confident	92 Å²	92	103.6 Å²	103.6	48%	0.482	51%	0.511	S	S	.	.	H	α-helix	trans	-63.3	-40	175.3	-78.5	170.5	0	0	0	112.6	E90 I92 R98	E90-L94 HydrophobicContact CG-CD1 4.41Å; E90-L94 WeakPolarHBondContact O-CB 3.35Å; E90-L94 WeakPolarHBondContact O-CG 3.34Å; E90-L94 PolarHBondContact O-N 2.93Å; I92-L94 PolarHBondContact O-N 3.16Å; L94-R98 WeakPolarHBondContact O-CB 3.45Å; L94-R98 PolarHBondContact O-N 3.29Å
95	H	86.9	Confident	88.5	Confident	113 Å²	113	102.5 Å²	102.5	52%	0.523	51%	0.506	S	S	.	.	H	α-helix	trans	-66.7	-38.9	175.8	-81	21.2	0	0	0	112	L91 I92 D93 R98 K99	L91-H95 WeakPolarHBondContact O-CB 3.1Å; L91-H95 PolarHBondContact O-N 2.71Å; L91-H95 PolarHBondContact O-ND1 3.3Å; I92-H95 PolarHBondContact O-N 3.18Å; D93-H95 PolarHBondContact O-N 2.64Å; H95-R98 PolarHBondContact O-N 2.76Å; H95-K99 PolarHBondContact O-N 3.23Å
96	Q	89.2	Confident	89	Confident	117 Å²	117	99.6 Å²	99.6	55%	0.547	50%	0.497	S	S	.	.	H	α-helix	trans	-62.3	-51.2	173.1	-106.9	176.2	-27.3	0	0	111.8	I92 D93 R98 K99 E100	I92-Q96 PolarHBondContact O-N 3.31Å; D93-Q96 PolarHBondContact O-N 2.88Å; Q96-R98 VanDerWaalsContact C-N 3.31Å; Q96-R98 PolarHBondContact O-N 3.47Å; Q96-K99 WeakPolarHBondContact O-CB 3.21Å; Q96-K99 PolarHBondContact O-N 3.01Å; Q96-E100 PolarHBondContact O-N 3.02Å
97	R	92.1	Very high	89.4	Confident	136 Å²	136	100 Å²	100	51%	0.513	50%	0.496	S	S	.	.	H	α-helix	trans	-58.6	-40.7	176.4	-79.6	-178.2	179.7	134.1	14.2	112.9	D93 K99 E100 L101	D93-R97 PolarHBondContact O-N 3.41Å; D93-R97 IonicContact OD1-CZ 3.1Å; D93-R97 IonicContact OD1-NH2 3.58Å; D93-R97 IonicContact OD2-CZ 3.86Å; D93-R97 IonicContact OD2-NE 3.18Å; D93-R97 IonicContact OD2-NH1 3.01Å; D93-R97 PolarHBondContact OD2-NH1 2.67Å; D93-R97 IonicContact OD2-NH2 3.77Å; D93-R97 PolarHBondContact OD2-NH2 3.07Å; R97-K99 VanDerWaalsContact C-N 3.31Å; R97-K99 PolarHBondContact O-N 3.41Å; R97-E100 PolarHBondContact O-N 2.83Å; R97-L101 WeakPolarHBondContact O-CB 3.31Å; R97-L101 WeakPolarHBondContact O-CG 3.28Å; R97-L101 PolarHBondContact O-N 3.31Å
98	R	91.7	Very high	89.8	Confident	176 Å²	176	101.2 Å²	101.2	66%	0.664	50%	0.499	S	S	*	.	H	α-helix	trans	-60.6	-42.8	175.6	-178.8	-178	174.3	-170.3	-0.8	111	L94 H95 Q96 L101 V102	L94-R98 WeakPolarHBondContact O-CB 3.45Å; L94-R98 PolarHBondContact O-N 3.29Å; H95-R98 PolarHBondContact O-N 2.76Å; Q96-R98 VanDerWaalsContact C-N 3.31Å; Q96-R98 PolarHBondContact O-N 3.47Å; R98-L101 PolarHBondContact O-N 3.34Å; R98-V102 VanDerWaalsContact O-CG2 3.31Å; R98-V102 WeakPolarHBondContact O-CG2 3Å; R98-V102 PolarHBondContact O-N 2.9Å
99	K	89.9	Confident	90.1	Very high	139 Å²	139	101 Å²	101	60%	0.604	50%	0.499	S	S	*	.	H	α-helix	trans	-63.9	-46.5	178.3	-171.1	176.8	178.4	178.8	0	111.4	H95 Q96 R97 L101 V102 D103	H95-K99 PolarHBondContact O-N 3.23Å; Q96-K99 WeakPolarHBondContact O-CB 3.21Å; Q96-K99 PolarHBondContact O-N 3.01Å; R97-K99 VanDerWaalsContact C-N 3.31Å; R97-K99 PolarHBondContact O-N 3.41Å; K99-L101 VanDerWaalsContact C-N 3.34Å; K99-L101 PolarHBondContact O-N 3.33Å; K99-V102 PolarHBondContact O-N 3.42Å; K99-V102 VanDerWaalsContact O-N 3.16Å; K99-D103 PolarHBondContact O-N 2.53Å
100	E	92	Very high	90.4	Very high	122 Å²	122	101.3 Å²	101.3	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-60.2	-41.2	175.8	-69.1	175.8	175.9	0	0	112.6	Q96 R97 D103 T104	Q96-E100 PolarHBondContact O-N 3.02Å; R97-E100 PolarHBondContact O-N 2.83Å; E100-D103 PolarHBondContact O-N 3.37Å; E100-T104 WeakPolarHBondContact O-CB 3.3Å; E100-T104 VanDerWaalsContact O-CG2 3.3Å; E100-T104 WeakPolarHBondContact O-CG2 3.27Å; E100-T104 PolarHBondContact O-N 3.03Å; E100-T104 PolarHBondContact O-OG1 3.17Å
101	L	90.9	Very high	90.7	Very high	119 Å²	119	100.9 Å²	100.9	62%	0.623	50%	0.498	S	S	*	.	H	α-helix	trans	-64.8	-37.6	175.4	-80.5	165	0	0	0	112.5	R97 R98 K99 T104 N105	R97-L101 WeakPolarHBondContact O-CB 3.31Å; R97-L101 WeakPolarHBondContact O-CG 3.28Å; R97-L101 PolarHBondContact O-N 3.31Å; R98-L101 PolarHBondContact O-N 3.34Å; K99-L101 VanDerWaalsContact C-N 3.34Å; K99-L101 PolarHBondContact O-N 3.33Å; L101-T104 WeakPolarHBondContact CA-OG1 3.27Å; L101-T104 PolarHBondContact O-OG1 2.88Å; L101-N105 VanDerWaalsContact O-CB 3.24Å; L101-N105 WeakPolarHBondContact O-CB 3.49Å; L101-N105 PolarHBondContact O-N 3.25Å
102	V	91.3	Very high	90.9	Very high	77 Å²	77	99.7 Å²	99.7	47%	0.467	50%	0.495	S	S	.	.	H	α-helix	trans	-67.9	-46.5	175.3	170.4	0	0	0	0	110.4	R98 K99 T104 N105 T106	R98-V102 VanDerWaalsContact O-CG2 3.31Å; R98-V102 WeakPolarHBondContact O-CG2 3Å; R98-V102 PolarHBondContact O-N 2.9Å; K99-V102 PolarHBondContact O-N 3.42Å; K99-V102 VanDerWaalsContact O-N 3.16Å; V102-T104 PolarHBondContact O-N 3.43Å; V102-N105 PolarHBondContact O-N 2.86Å; V102-T106 WeakPolarHBondContact O-CG2 3.11Å; V102-T106 PolarHBondContact O-N 2.76Å
103	D	91.1	Very high	90.9	Very high	82 Å²	82	101.7 Å²	101.7	44%	0.439	50%	0.502	S	S	.	.	H	α-helix	trans	-61.2	-45.7	179.4	-68.6	-18.7	0	0	0	110.9	K99 E100 N105 T106 V107	K99-D103 PolarHBondContact O-N 2.53Å; E100-D103 PolarHBondContact O-N 3.37Å; D103-N105 PolarHBondContact O-N 2.87Å; D103-T106 PolarHBondContact O-N 3.37Å; D103-T106 PolarHBondContact O-OG1 2.76Å; D103-V107 WeakPolarHBondContact O-CG2 3.03Å; D103-V107 PolarHBondContact O-N 3.38Å
104	T	91.6	Very high	90.9	Very high	74 Å²	74	107.8 Å²	107.8	45%	0.454	52%	0.521	S	S	.	.	H	α-helix	trans	-63.8	-38.3	175.7	51.3	0	0	0	0	113.1	E100 L101 V102 V107 L108	E100-T104 WeakPolarHBondContact O-CB 3.3Å; E100-T104 VanDerWaalsContact O-CG2 3.3Å; E100-T104 WeakPolarHBondContact O-CG2 3.27Å; E100-T104 PolarHBondContact O-N 3.03Å; E100-T104 PolarHBondContact O-OG1 3.17Å; L101-T104 WeakPolarHBondContact CA-OG1 3.27Å; L101-T104 PolarHBondContact O-OG1 2.88Å; V102-T104 PolarHBondContact O-N 3.43Å; T104-V107 PolarHBondContact O-N 3.25Å; T104-L108 WeakPolarHBondContact O-CB 3.48Å; T104-L108 WeakPolarHBondContact O-CG 3.23Å; T104-L108 PolarHBondContact O-N 2.73Å
105	N	91.3	Very high	91	Very high	87 Å²	87	108.9 Å²	108.9	47%	0.465	53%	0.527	S	S	.	.	H	α-helix	trans	-65.3	-40.7	176	-163.2	-4.4	0	0	0	111.4	L101 V102 D103 V107 L108 Q109	L101-N105 VanDerWaalsContact O-CB 3.24Å; L101-N105 WeakPolarHBondContact O-CB 3.49Å; L101-N105 PolarHBondContact O-N 3.25Å; V102-N105 PolarHBondContact O-N 2.86Å; D103-N105 PolarHBondContact O-N 2.87Å; N105-V107 PolarHBondContact O-N 2.96Å; N105-L108 PolarHBondContact O-N 2.99Å; N105-Q109 WeakPolarHBondContact O-CB 3.45Å; N105-Q109 VanDerWaalsContact O-CG 3.3Å; N105-Q109 WeakPolarHBondContact O-CG 3.44Å; N105-Q109 PolarHBondContact O-N 2.67Å
106	T	91.1	Very high	91	Very high	62 Å²	62	111.4 Å²	111.4	38%	0.38	53%	0.532	S	S	.	.	H	α-helix	trans	-64.1	-39.9	174.8	61.8	0	0	0	0	112.5	V102 D103 Q109 N110	V102-T106 WeakPolarHBondContact O-CG2 3.11Å; V102-T106 PolarHBondContact O-N 2.76Å; D103-T106 PolarHBondContact O-N 3.37Å; D103-T106 PolarHBondContact O-OG1 2.76Å; T106-Q109 PolarHBondContact O-N 3.33Å; T106-N110 PolarHBondContact O-N 3.24Å; T106-N110 PolarHBondContact O-ND2 3.14Å
107	V	93	Very high	90.6	Very high	79 Å²	79	109.7 Å²	109.7	48%	0.479	53%	0.533	S	S	.	.	H	α-helix	trans	-63.3	-44.2	174.8	173	0	0	0	0	111.3	D103 T104 N105 N110 Q111	D103-V107 WeakPolarHBondContact O-CG2 3.03Å; D103-V107 PolarHBondContact O-N 3.38Å; T104-V107 PolarHBondContact O-N 3.25Å; N105-V107 PolarHBondContact O-N 2.96Å; V107-N110 PolarHBondContact O-N 2.71Å; V107-Q111 WeakPolarHBondContact O-CG 3.47Å; V107-Q111 PolarHBondContact O-N 3.25Å
108	L	91.9	Very high	90.3	Very high	98 Å²	98	106.5 Å²	106.5	51%	0.513	53%	0.525	S	S	.	.	H	α-helix	trans	-63.9	-41.3	176.4	-79.4	164.3	0	0	0	112	T104 N105 Q111 V112	T104-L108 WeakPolarHBondContact O-CB 3.48Å; T104-L108 WeakPolarHBondContact O-CG 3.23Å; T104-L108 PolarHBondContact O-N 2.73Å; N105-L108 PolarHBondContact O-N 2.99Å; L108-Q111 PolarHBondContact O-N 3.02Å; L108-V112 WeakPolarHBondContact O-CG2 3.4Å; L108-V112 PolarHBondContact O-N 2.81Å
109	Q	92.3	Very high	90	Very high	106 Å²	106	103.9 Å²	103.9	50%	0.495	52%	0.524	S	S	.	.	H	α-helix	trans	-59.4	-46.9	174.9	-76.2	177.3	-6.6	0	0	111.4	N105 T106 Q111 V112 E113	N105-Q109 WeakPolarHBondContact O-CB 3.45Å; N105-Q109 VanDerWaalsContact O-CG 3.3Å; N105-Q109 WeakPolarHBondContact O-CG 3.44Å; N105-Q109 PolarHBondContact O-N 2.67Å; T106-Q109 PolarHBondContact O-N 3.33Å; Q109-Q111 VanDerWaalsContact C-N 3.31Å; Q109-Q111 PolarHBondContact O-N 3.32Å; Q109-V112 PolarHBondContact O-N 2.84Å; Q109-E113 WeakPolarHBondContact O-CG 3.41Å; Q109-E113 PolarHBondContact O-N 3.45Å
110	N	92.2	Very high	89.4	Confident	103 Å²	103	100.4 Å²	100.4	55%	0.551	51%	0.514	S	S	*	.	H	α-helix	trans	-60.4	-39.1	175.7	-71.4	-27.5	0	0	0	112.4	T106 V107 R114	T106-N110 PolarHBondContact O-N 3.24Å; T106-N110 PolarHBondContact O-ND2 3.14Å; V107-N110 PolarHBondContact O-N 2.71Å; N110-R114 WeakPolarHBondContact O-CB 3.37Å; N110-R114 PolarHBondContact O-N 3.31Å
111	Q	93.6	Very high	88.6	Confident	108 Å²	108	97.2 Å²	97.2	51%	0.505	50%	0.499	S	S	.	.	H	α-helix	trans	-66.6	-42.3	175.4	-74.8	-178.7	-8.5	0	0	112.4	V107 L108 Q109 R114 L115	V107-Q111 WeakPolarHBondContact O-CG 3.47Å; V107-Q111 PolarHBondContact O-N 3.25Å; L108-Q111 PolarHBondContact O-N 3.02Å; Q109-Q111 VanDerWaalsContact C-N 3.31Å; Q109-Q111 PolarHBondContact O-N 3.32Å; Q111-R114 PolarHBondContact O-N 3.33Å; Q111-L115 WeakPolarHBondContact O-CB 3.39Å; Q111-L115 WeakPolarHBondContact O-CG 3.47Å; Q111-L115 PolarHBondContact O-N 3.11Å
112	V	91.8	Very high	88.2	Confident	64 Å²	64	96.5 Å²	96.5	39%	0.388	49%	0.492	S	S	.	.	H	α-helix	trans	-63.5	-42	177.2	169.4	0	0	0	0	110.9	L108 Q109 L115 R116	L108-V112 WeakPolarHBondContact O-CG2 3.4Å; L108-V112 PolarHBondContact O-N 2.81Å; Q109-V112 PolarHBondContact O-N 2.84Å; V112-L115 PolarHBondContact O-N 3.13Å; V112-R116 HydrophobicContact CG1-CG 4.48Å; V112-R116 WeakPolarHBondContact O-CB 3.24Å; V112-R116 VanDerWaalsContact O-CG 3.29Å; V112-R116 WeakPolarHBondContact O-CG 3.25Å; V112-R116 PolarHBondContact O-N 2.78Å
113	E	87.1	Confident	87.5	Confident	123 Å²	123	95.3 Å²	95.3	58%	0.575	49%	0.487	S	S	*	.	H	α-helix	trans	-63.5	-42.8	175.5	-73.4	-176	174	0	0	112	Q109 R116 S117	Q109-E113 WeakPolarHBondContact O-CG 3.41Å; Q109-E113 PolarHBondContact O-N 3.45Å; E113-R116 PolarHBondContact O-N 2.03Å; E113-S117 PolarHBondContact O-N 2.67Å
114	R	90.2	Very high	86.7	Confident	186 Å²	186	93.7 Å²	93.7	70%	0.702	48%	0.475	S	S	*	.	H	α-helix	trans	-60.7	-46.4	174.4	-173.1	178.7	-179	-175.4	1.1	112.1	N110 Q111 S117 I118	N110-R114 WeakPolarHBondContact O-CB 3.37Å; N110-R114 PolarHBondContact O-N 3.31Å; Q111-R114 PolarHBondContact O-N 3.33Å; R114-S117 WeakPolarHBondContact O-CB 3.49Å; R114-S117 PolarHBondContact O-N 2.64Å; R114-I118 HydrophobicContact CG-CD1 4.12Å; R114-I118 WeakPolarHBondContact O-CG1 3.47Å; R114-I118 PolarHBondContact O-N 2.9Å
115	L	89.9	Confident	86.1	Confident	116 Å²	116	94 Å²	94	61%	0.607	47%	0.471	S	S	*	.	H	α-helix	trans	-64.1	-39.5	177.7	-75.2	171.8	0	0	0	112.1	Q111 V112 S117 I118 L119	Q111-L115 WeakPolarHBondContact O-CB 3.39Å; Q111-L115 WeakPolarHBondContact O-CG 3.47Å; Q111-L115 PolarHBondContact O-N 3.11Å; V112-L115 PolarHBondContact O-N 3.13Å; L115-S117 VanDerWaalsContact C-N 3.35Å; L115-I118 PolarHBondContact O-N 2.71Å; L115-L119 WeakPolarHBondContact O-CB 3.23Å; L115-L119 PolarHBondContact O-N 3.45Å
116	R	86.6	Confident	85.6	Confident	165 Å²	165	93.9 Å²	93.9	62%	0.623	47%	0.47	S	S	*	.	H	α-helix	trans	-61.7	-42.6	174	-77	174.3	177.3	174.4	0.9	111.6	V112 E113 L119 V120	V112-R116 HydrophobicContact CG1-CG 4.48Å; V112-R116 WeakPolarHBondContact O-CB 3.24Å; V112-R116 VanDerWaalsContact O-CG 3.29Å; V112-R116 WeakPolarHBondContact O-CG 3.25Å; V112-R116 PolarHBondContact O-N 2.78Å; E113-R116 PolarHBondContact O-N 2.03Å; R116-L119 PolarHBondContact O-N 2.96Å; R116-V120 VanDerWaalsContact O-CG2 3.32Å; R116-V120 WeakPolarHBondContact O-CG2 3.48Å; R116-V120 PolarHBondContact O-N 3.44Å
117	S	80.8	Confident	84.9	Confident	81 Å²	81	92.4 Å²	92.4	57%	0.566	46%	0.459	S	S	*	.	H	α-helix	trans	-60.8	-46.5	175.7	-170.8	0	0	0	0	111.9	E113 R114 L115 V120 E121	E113-S117 PolarHBondContact O-N 2.67Å; R114-S117 WeakPolarHBondContact O-CB 3.49Å; R114-S117 PolarHBondContact O-N 2.64Å; L115-S117 VanDerWaalsContact C-N 3.35Å; S117-V120 PolarHBondContact O-N 2.78Å; S117-E121 PolarHBondContact O-N 3.25Å
118	I	85.8	Confident	84.2	Confident	69 Å²	69	90 Å²	90	35%	0.354	44%	0.442	S	S	.	.	H	α-helix	trans	-64.1	-42.4	178.1	-66.1	165.2	0	0	0	111	R114 L115 V120 E121 H122	R114-I118 HydrophobicContact CG-CD1 4.12Å; R114-I118 WeakPolarHBondContact O-CG1 3.47Å; R114-I118 PolarHBondContact O-N 2.9Å; L115-I118 PolarHBondContact O-N 2.71Å; I118-V120 VanDerWaalsContact C-N 3.34Å; I118-V120 PolarHBondContact O-N 3.49Å; I118-E121 PolarHBondContact O-N 3.08Å; I118-H122 WeakPolarHBondContact O-CB 3.31Å; I118-H122 PolarHBondContact O-N 3.21Å
119	L	84.6	Confident	83.8	Confident	122 Å²	122	90.7 Å²	90.7	64%	0.639	45%	0.445	S	S	*	.	H	α-helix	trans	-61.3	-43.9	178.1	-179.4	67	0	0	0	111.5	L115 R116 S123	L115-L119 WeakPolarHBondContact O-CB 3.23Å; L115-L119 PolarHBondContact O-N 3.45Å; R116-L119 PolarHBondContact O-N 2.96Å; L119-S123 VanDerWaalsContact O-CB 3.23Å; L119-S123 WeakPolarHBondContact O-CB 3.45Å; L119-S123 PolarHBondContact O-N 3.11Å; L119-S123 PolarHBondContact O-OG 3.38Å
120	V	77.2	Confident	83.3	Confident	66 Å²	66	92.8 Å²	92.8	40%	0.4	45%	0.449	S	S	.	.	H	α-helix	trans	-61.4	-47.9	176.4	170.2	0	0	0	0	110.1	R116 S117 I118 S123 R124	R116-V120 VanDerWaalsContact O-CG2 3.32Å; R116-V120 WeakPolarHBondContact O-CG2 3.48Å; R116-V120 PolarHBondContact O-N 3.44Å; S117-V120 PolarHBondContact O-N 2.78Å; I118-V120 VanDerWaalsContact C-N 3.34Å; I118-V120 PolarHBondContact O-N 3.49Å; V120-S123 PolarHBondContact O-N 2.99Å; V120-S123 PolarHBondContact O-OG 3.44Å; V120-R124 VanDerWaalsContact O-CG 3.28Å; V120-R124 WeakPolarHBondContact O-CG 3.25Å; V120-R124 PolarHBondContact O-N 3.08Å
121	E	75.5	Confident	82.8	Confident	55 Å²	55	88.2 Å²	88.2	26%	0.257	43%	0.425	S	S	.	.	H	α-helix	trans	-58.8	-52.3	178.1	-177.6	57.9	-156.6	0	0	112.4	S117 I118 S123 R124 Q125	S117-E121 PolarHBondContact O-N 3.25Å; I118-E121 PolarHBondContact O-N 3.08Å; E121-S123 VanDerWaalsContact C-N 3.3Å; E121-S123 PolarHBondContact O-N 3.39Å; E121-R124 WeakPolarHBondContact O-CB 3.49Å; E121-R124 PolarHBondContact O-N 3.24Å; E121-R124 VanDerWaalsContact O-N 3.17Å; E121-Q125 WeakPolarHBondContact O-CG 3.31Å; E121-Q125 PolarHBondContact O-N 2.9Å; E121-Q125 PolarHBondContact OE1-NE2 3.2Å
122	H	82.2	Confident	82.4	Confident	104 Å²	104	84.2 Å²	84.2	48%	0.481	41%	0.408	S	S	.	.	H	α-helix	trans	-61.8	-37.8	177.8	-73.4	-174.8	0	0	0	112.3	I118 R124 Q125 I126	I118-H122 WeakPolarHBondContact O-CB 3.31Å; I118-H122 PolarHBondContact O-N 3.21Å; H122-R124 VanDerWaalsContact C-N 3.3Å; H122-R124 PolarHBondContact O-N 3.43Å; H122-Q125 PolarHBondContact O-N 3.35Å; H122-I126 WeakPolarHBondContact O-CB 3.06Å; H122-I126 VanDerWaalsContact O-CG1 3.25Å; H122-I126 WeakPolarHBondContact O-CG1 3.41Å; H122-I126 PolarHBondContact O-N 3.32Å
123	S	78	Confident	82.2	Confident	51 Å²	51	85.9 Å²	85.9	36%	0.357	41%	0.414	S	S	.	.	H	α-helix	trans	-62.1	-40.1	177.5	75.4	0	0	0	0	111.8	L119 V120 E121 I126 I127	L119-S123 VanDerWaalsContact O-CB 3.23Å; L119-S123 WeakPolarHBondContact O-CB 3.45Å; L119-S123 PolarHBondContact O-N 3.11Å; L119-S123 PolarHBondContact O-OG 3.38Å; V120-S123 PolarHBondContact O-N 2.99Å; V120-S123 PolarHBondContact O-OG 3.44Å; E121-S123 VanDerWaalsContact C-N 3.3Å; E121-S123 PolarHBondContact O-N 3.39Å; S123-I126 PolarHBondContact O-N 3.23Å; S123-I127 WeakPolarHBondContact O-CD1 3.25Å; S123-I127 VanDerWaalsContact O-CG1 3.24Å; S123-I127 WeakPolarHBondContact O-CG1 3.36Å; S123-I127 PolarHBondContact O-N 3.03Å; S123-I127 VanDerWaalsContact O-N 3.08Å
124	R	74.2	Confident	82.1	Confident	49 Å²	49	84.1 Å²	84.1	19%	0.185	41%	0.408	C	S	.	.	H	α-helix	trans	-68.2	-45.4	178.4	-70.4	176.2	-176.2	176.3	0.4	112	V120 E121 H122 I126 I127 R128 D573 D576 F577	V120-R124 VanDerWaalsContact O-CG 3.28Å; V120-R124 WeakPolarHBondContact O-CG 3.25Å; V120-R124 PolarHBondContact O-N 3.08Å; E121-R124 WeakPolarHBondContact O-CB 3.49Å; E121-R124 PolarHBondContact O-N 3.24Å; E121-R124 VanDerWaalsContact O-N 3.17Å; H122-R124 VanDerWaalsContact C-N 3.3Å; H122-R124 PolarHBondContact O-N 3.43Å; R124-I126 VanDerWaalsContact C-N 3.33Å; R124-I126 PolarHBondContact O-N 3.44Å; R124-I127 WeakPolarHBondContact O-CB 3.4Å; R124-I127 PolarHBondContact O-N 3.13Å; R124-I127 VanDerWaalsContact O-N 3.11Å; R124-R128 PolarHBondContact O-N 2.82Å; R124-D573 IonicContact CZ-OD1 3.82Å; R124-D573 IonicContact NH1-OD1 3.43Å; R124-D573 PolarHBondContact NH1-OD1 2.58Å; R124-D576 HydrophobicContact CB-CB 3.64Å; R124-D576 VanDerWaalsContact CB-CG 3.46Å; R124-D576 WeakPolarHBondContact CB-OD2 3.42Å; R124-D576 WeakPolarHBondContact CD-OD2 3.29Å; R124-D576 HydrophobicContact CG-CB 4.32Å; R124-F577 HydrophobicContact CG-CE2 4.24Å; R124-F577 HydrophobicContact CG-CZ 3.88Å
125	Q	78.1	Confident	81.8	Confident	80 Å²	80	75.3 Å²	75.3	37%	0.374	38%	0.375	S	S	.	.	H	α-helix	trans	-59.9	-42	175.4	-68.4	179	6.5	0	0	112.1	E121 H122 I127 R128 L129	E121-Q125 WeakPolarHBondContact O-CG 3.31Å; E121-Q125 PolarHBondContact O-N 2.9Å; E121-Q125 PolarHBondContact OE1-NE2 3.2Å; H122-Q125 PolarHBondContact O-N 3.35Å; Q125-I127 VanDerWaalsContact C-N 3.32Å; Q125-I127 PolarHBondContact O-N 3.24Å; Q125-R128 PolarHBondContact O-N 2.92Å; Q125-L129 WeakPolarHBondContact O-CB 3.27Å; Q125-L129 VanDerWaalsContact O-CG 3.31Å; Q125-L129 WeakPolarHBondContact O-CG 3.46Å; Q125-L129 PolarHBondContact O-N 3.34Å
126	I	82.2	Confident	81.7	Confident	84 Å²	84	74.8 Å²	74.8	43%	0.431	37%	0.366	S	S	.	.	H	α-helix	trans	-61.8	-41.3	175.5	-72.1	167.7	0	0	0	111	H122 S123 R124 L129 R130	H122-I126 WeakPolarHBondContact O-CB 3.06Å; H122-I126 VanDerWaalsContact O-CG1 3.25Å; H122-I126 WeakPolarHBondContact O-CG1 3.41Å; H122-I126 PolarHBondContact O-N 3.32Å; S123-I126 PolarHBondContact O-N 3.23Å; R124-I126 VanDerWaalsContact C-N 3.33Å; R124-I126 PolarHBondContact O-N 3.44Å; I126-L129 PolarHBondContact O-N 3.47Å; I126-R130 VanDerWaalsContact O-CG 3.3Å; I126-R130 WeakPolarHBondContact O-CG 3.49Å; I126-R130 PolarHBondContact O-N 2.85Å
127	I	76.4	Confident	81.8	Confident	32 Å²	32	73.2 Å²	73.2	16%	0.164	36%	0.364	C	S	.	.	H	α-helix	trans	-61.7	-50.1	177.1	-73.9	164.1	0	0	0	110.1	S123 R124 Q125 L129 R130 A131 Y659 M663	S123-I127 WeakPolarHBondContact O-CD1 3.25Å; S123-I127 VanDerWaalsContact O-CG1 3.24Å; S123-I127 WeakPolarHBondContact O-CG1 3.36Å; S123-I127 PolarHBondContact O-N 3.03Å; S123-I127 VanDerWaalsContact O-N 3.08Å; R124-I127 WeakPolarHBondContact O-CB 3.4Å; R124-I127 PolarHBondContact O-N 3.13Å; R124-I127 VanDerWaalsContact O-N 3.11Å; Q125-I127 VanDerWaalsContact C-N 3.32Å; Q125-I127 PolarHBondContact O-N 3.24Å; I127-L129 VanDerWaalsContact C-N 3.34Å; I127-L129 PolarHBondContact O-N 3.1Å; I127-R130 WeakPolarHBondContact O-CB 3.46Å; I127-R130 PolarHBondContact O-N 3.15Å; I127-R130 VanDerWaalsContact O-N 3.1Å; I127-A131 PolarHBondContact O-N 3.35Å; I127-Y659 HydrophobicContact CD1-CE2 4.27Å; I127-Y659 HydrophobicContact CG2-CE2 3.99Å; I127-Y659 WeakPolarHBondContact CG2-OH 3.17Å; I127-M663 HydrophobicContact CG2-CE 3.54Å; I127-M663 HydrophobicContact CG2-SD 3.28Å; I127-M663 WeakPolarHBondContact CG2-SD 3.23Å; I127-M663 WeakPolarHBondContact O-CE 3.19Å
128	R	77.3	Confident	81.8	Confident	28 Å²	28	72.6 Å²	72.6	11%	0.106	35%	0.352	C	S	.	.	H	α-helix	trans	-60	-41.9	177.3	-170	-174.1	-172.2	179	11.1	112.9	R124 Q125 R130 A131 T132 D575 N696	R124-R128 PolarHBondContact O-N 2.82Å; Q125-R128 PolarHBondContact O-N 2.92Å; R128-R130 VanDerWaalsContact C-N 3.31Å; R128-R130 PolarHBondContact O-N 3.01Å; R128-A131 PolarHBondContact O-N 2.71Å; R128-T132 WeakPolarHBondContact O-CB 3.24Å; R128-T132 PolarHBondContact O-N 3.29Å; R128-T132 PolarHBondContact O-OG1 2.89Å; R128-D575 VanDerWaalsContact CD-O 3.32Å; R128-D575 WeakPolarHBondContact CD-O 3.44Å; R128-D575 IonicContact CZ-OD2 2.81Å; R128-D575 PolarHBondContact NE-O 2.9Å; R128-D575 VanDerWaalsContact NH1-CG 3.26Å; R128-D575 IonicContact NH1-OD2 3.19Å; R128-D575 PolarHBondContact NH1-OD2 3.16Å; R128-D575 IonicContact NH2-OD1 2.92Å; R128-D575 IonicContact NH2-OD2 2.95Å; R128-D575 PolarHBondContact NH2-OD2 3.27Å; R128-N696 PolarHBondContact NH2-O 2.92Å
129	L	82.8	Confident	81.5	Confident	112 Å²	112	70.1 Å²	70.1	59%	0.586	34%	0.34	S	S	*	.	H	α-helix	trans	-62.3	-39.1	175.3	-76.3	170.3	0	0	0	111.5	Q125 I126 I127 T132 L133	Q125-L129 WeakPolarHBondContact O-CB 3.27Å; Q125-L129 VanDerWaalsContact O-CG 3.31Å; Q125-L129 WeakPolarHBondContact O-CG 3.46Å; Q125-L129 PolarHBondContact O-N 3.34Å; I126-L129 PolarHBondContact O-N 3.47Å; I127-L129 VanDerWaalsContact C-N 3.34Å; I127-L129 PolarHBondContact O-N 3.1Å; L129-T132 PolarHBondContact O-N 3.43Å; L129-L133 WeakPolarHBondContact O-CB 3.42Å; L129-L133 WeakPolarHBondContact O-CG 2.94Å; L129-L133 PolarHBondContact O-N 2.99Å
130	R	83.7	Confident	81.5	Confident	151 Å²	151	69.3 Å²	69.3	57%	0.57	34%	0.335	S	S	*	.	H	α-helix	trans	-63.2	-48.9	173.1	-73.6	172.2	-178.4	-178.4	1.3	111.7	I126 I127 R128 T132 L133 D134	I126-R130 VanDerWaalsContact O-CG 3.3Å; I126-R130 WeakPolarHBondContact O-CG 3.49Å; I126-R130 PolarHBondContact O-N 2.85Å; I127-R130 WeakPolarHBondContact O-CB 3.46Å; I127-R130 PolarHBondContact O-N 3.15Å; I127-R130 VanDerWaalsContact O-N 3.1Å; R128-R130 VanDerWaalsContact C-N 3.31Å; R128-R130 PolarHBondContact O-N 3.01Å; R130-T132 PolarHBondContact O-N 3.08Å; R130-L133 PolarHBondContact O-N 2.78Å; R130-D134 WeakPolarHBondContact O-CB 3.32Å; R130-D134 VanDerWaalsContact O-CG 3.25Å; R130-D134 PolarHBondContact O-N 3.37Å
131	A	81.6	Confident	81.6	Confident	6 Å²	6	68.8 Å²	68.8	5%	0.05	33%	0.334	C	S	.	.	H	α-helix	trans	-55	-43.7	175.2	0	0	0	0	0	111.7	I127 R128 D134 S135 P580 M663	I127-A131 PolarHBondContact O-N 3.35Å; R128-A131 PolarHBondContact O-N 2.71Å; A131-D134 PolarHBondContact O-N 3.39Å; A131-S135 WeakPolarHBondContact O-CB 3.33Å; A131-S135 PolarHBondContact O-N 2.9Å; A131-P580 HydrophobicContact CB-CB 4.42Å; A131-M663 HydrophobicContact CB-CE 3.54Å; A131-M663 HydrophobicContact CB-SD 3.88Å
132	T	84.8	Confident	81.5	Confident	24 Å²	24	67.6 Å²	67.6	15%	0.147	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-50.4	178.5	-59	0	0	0	0	110.6	R128 L129 R130 D134 S135 Y136	R128-T132 WeakPolarHBondContact O-CB 3.24Å; R128-T132 PolarHBondContact O-N 3.29Å; R128-T132 PolarHBondContact O-OG1 2.89Å; L129-T132 PolarHBondContact O-N 3.43Å; R130-T132 PolarHBondContact O-N 3.08Å; T132-D134 VanDerWaalsContact C-N 3.32Å; T132-D134 PolarHBondContact O-N 2.75Å; T132-S135 WeakPolarHBondContact O-CA 3.28Å; T132-S135 VanDerWaalsContact O-CB 3.26Å; T132-S135 WeakPolarHBondContact O-CB 3.11Å; T132-S135 PolarHBondContact O-N 3.25Å; T132-S135 VanDerWaalsContact O-N 3.09Å; T132-Y136 HydrophobicContact CG2-CD2 3.81Å; T132-Y136 HydrophobicContact CG2-CE2 3.6Å; T132-Y136 VanDerWaalsContact O-CD2 3.23Å; T132-Y136 WeakPolarHBondContact O-CD2 3.09Å; T132-Y136 PolarHBondContact O-N 3.4Å
133	L	87.3	Confident	81.1	Confident	100 Å²	100	68.4 Å²	68.4	52%	0.524	34%	0.338	S	S	.	.	H	α-helix	trans	-58.1	-42.2	176.3	-77.1	172.7	0	0	0	112.5	L129 R130 S135 Y136 K137	L129-L133 WeakPolarHBondContact O-CB 3.42Å; L129-L133 WeakPolarHBondContact O-CG 2.94Å; L129-L133 PolarHBondContact O-N 2.99Å; R130-L133 PolarHBondContact O-N 2.78Å; L133-S135 VanDerWaalsContact C-N 3.3Å; L133-Y136 PolarHBondContact O-N 3.43Å; L133-K137 WeakPolarHBondContact O-CB 3.48Å; L133-K137 VanDerWaalsContact O-CG 3.29Å; L133-K137 WeakPolarHBondContact O-CG 3.45Å; L133-K137 PolarHBondContact O-N 2.79Å
134	D	84.3	Confident	80.8	Confident	85 Å²	85	70.5 Å²	70.5	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-66.8	-35.6	177	-66.7	-21.1	0	0	0	111.1	R130 A131 T132 K137 Q138	R130-D134 WeakPolarHBondContact O-CB 3.32Å; R130-D134 VanDerWaalsContact O-CG 3.25Å; R130-D134 PolarHBondContact O-N 3.37Å; A131-D134 PolarHBondContact O-N 3.39Å; T132-D134 VanDerWaalsContact C-N 3.32Å; T132-D134 PolarHBondContact O-N 2.75Å; D134-K137 PolarHBondContact O-N 2.78Å; D134-K137 IonicContact OD1-NZ 3.24Å; D134-Q138 WeakPolarHBondContact O-CB 3.26Å; D134-Q138 PolarHBondContact O-N 2.78Å
135	S	84.9	Confident	80.3	Confident	1 Å²	1	70 Å²	70	1%	0.007	35%	0.354	C	S	.	.	H	α-helix	trans	-59.4	-51.5	171.3	-169.3	0	0	0	0	111.8	A131 T132 L133 Q138 T139 R648	A131-S135 WeakPolarHBondContact O-CB 3.33Å; A131-S135 PolarHBondContact O-N 2.9Å; T132-S135 WeakPolarHBondContact O-CA 3.28Å; T132-S135 VanDerWaalsContact O-CB 3.26Å; T132-S135 WeakPolarHBondContact O-CB 3.11Å; T132-S135 PolarHBondContact O-N 3.25Å; T132-S135 VanDerWaalsContact O-N 3.09Å; L133-S135 VanDerWaalsContact C-N 3.3Å; S135-Q138 PolarHBondContact O-N 2.8Å; S135-T139 PolarHBondContact O-N 3.01Å; S135-T139 PolarHBondContact O-OG1 2.94Å; S135-T139 VanDerWaalsContact O-OG1 3.05Å; S135-R648 PolarHBondContact O-NH2 3.15Å
136	Y	87.5	Confident	79.1	Confident	105 Å²	105	70.9 Å²	70.9	41%	0.412	37%	0.37	S	S	.	.	H	α-helix	trans	-61.3	-45.4	176.7	-83.5	-84.4	0	0	0	112.6	T132 L133 Q138 T139 I140 G582 P583	T132-Y136 HydrophobicContact CG2-CD2 3.81Å; T132-Y136 HydrophobicContact CG2-CE2 3.6Å; T132-Y136 VanDerWaalsContact O-CD2 3.23Å; T132-Y136 WeakPolarHBondContact O-CD2 3.09Å; T132-Y136 PolarHBondContact O-N 3.4Å; L133-Y136 PolarHBondContact O-N 3.43Å; Y136-Q138 VanDerWaalsContact C-N 3.33Å; Y136-Q138 PolarHBondContact O-N 3.3Å; Y136-T139 PolarHBondContact O-N 3.1Å; Y136-I140 VanDerWaalsContact O-CG1 3.29Å; Y136-I140 WeakPolarHBondContact O-CG1 3.42Å; Y136-I140 PolarHBondContact O-N 2.95Å; Y136-G582 PolarHBondContact OH-O 3.48Å; Y136-P583 HydrophobicContact CD1-CB 3.9Å; Y136-P583 HydrophobicContact CD1-CG 3.95Å; Y136-P583 HydrophobicContact CE1-CB 3.54Å; Y136-P583 HydrophobicContact CE1-CG 4.05Å; Y136-P583 HydrophobicContact CG-CG 4.37Å
137	K	87.7	Confident	77.4	Confident	132 Å²	132	72 Å²	72	57%	0.574	39%	0.385	S	S	*	.	H	α-helix	trans	-59	-44.8	177.5	-76.3	173.6	-176.3	172.3	0	111.4	L133 D134 I140 S141	L133-K137 WeakPolarHBondContact O-CB 3.48Å; L133-K137 VanDerWaalsContact O-CG 3.29Å; L133-K137 WeakPolarHBondContact O-CG 3.45Å; L133-K137 PolarHBondContact O-N 2.79Å; D134-K137 PolarHBondContact O-N 2.78Å; D134-K137 IonicContact OD1-NZ 3.24Å; K137-I140 PolarHBondContact O-N 3.5Å; K137-S141 WeakPolarHBondContact O-CB 3.32Å; K137-S141 PolarHBondContact O-N 3.24Å
138	Q	81.4	Confident	75.9	Confident	69 Å²	69	74.6 Å²	74.6	32%	0.322	41%	0.411	S	S	.	.	H	α-helix	trans	-67.1	-41.4	178.4	-172.4	65.1	31.7	0	0	111.6	D134 S135 Y136 I140 S141 D142 R648	D134-Q138 WeakPolarHBondContact O-CB 3.26Å; D134-Q138 PolarHBondContact O-N 2.78Å; S135-Q138 PolarHBondContact O-N 2.8Å; Y136-Q138 VanDerWaalsContact C-N 3.33Å; Y136-Q138 PolarHBondContact O-N 3.3Å; Q138-I140 VanDerWaalsContact C-N 3.3Å; Q138-I140 PolarHBondContact O-N 2.99Å; Q138-S141 CarbonylContact O-C 3.57Å; Q138-S141 WeakPolarHBondContact O-CA 3.09Å; Q138-S141 VanDerWaalsContact O-CB 3.32Å; Q138-S141 WeakPolarHBondContact O-CB 3.48Å; Q138-S141 PolarHBondContact O-N 3.29Å; Q138-S141 VanDerWaalsContact O-N 3.09Å; Q138-D142 PolarHBondContact NE2-OD1 3.4Å; Q138-D142 VanDerWaalsContact NE2-OD1 3.16Å; Q138-D142 WeakPolarHBondContact O-CB 3.42Å; Q138-D142 VanDerWaalsContact O-CG 3.31Å; Q138-D142 PolarHBondContact O-N 3.27Å; Q138-R648 VanDerWaalsContact CG-CZ 3.44Å
139	T	80.7	Confident	74.5	Confident	17 Å²	17	75.4 Å²	75.4	10%	0.104	42%	0.419	C	S	.	.	H	α-helix	trans	-62.4	-38.9	175.7	-58.3	0	0	0	0	111.5	S135 Y136 D142 N143 P583	S135-T139 PolarHBondContact O-N 3.01Å; S135-T139 PolarHBondContact O-OG1 2.94Å; S135-T139 VanDerWaalsContact O-OG1 3.05Å; Y136-T139 PolarHBondContact O-N 3.1Å; T139-D142 PolarHBondContact O-N 2.93Å; T139-N143 WeakPolarHBondContact O-CB 3.4Å; T139-N143 PolarHBondContact O-N 2.78Å; T139-N143 PolarHBondContact O-ND2 3.17Å; T139-P583 HydrophobicContact CG2-CG 3.86Å; T139-P583 WeakPolarHBondContact OG1-CG 3.12Å
140	I	83.3	Confident	72.6	Confident	104 Å²	104	78.6 Å²	78.6	53%	0.533	43%	0.429	S	S	.	.	H	α-helix	trans	-63.7	-43.4	171.9	-67.5	165.5	0	0	0	110.3	Y136 K137 Q138 N143 T144	Y136-I140 VanDerWaalsContact O-CG1 3.29Å; Y136-I140 WeakPolarHBondContact O-CG1 3.42Å; Y136-I140 PolarHBondContact O-N 2.95Å; K137-I140 PolarHBondContact O-N 3.5Å; Q138-I140 VanDerWaalsContact C-N 3.3Å; Q138-I140 PolarHBondContact O-N 2.99Å; I140-N143 PolarHBondContact O-N 2.84Å; I140-T144 HydrophobicContact CG2-CG2 4.16Å; I140-T144 WeakPolarHBondContact O-CB 3.36Å; I140-T144 VanDerWaalsContact O-CG2 3.24Å; I140-T144 WeakPolarHBondContact O-CG2 3.28Å; I140-T144 PolarHBondContact O-N 3.12Å; I140-T144 PolarHBondContact O-OG1 3.15Å
141	S	79.4	Confident	70.8	Confident	55 Å²	55	77.3 Å²	77.3	39%	0.385	43%	0.425	S	S	.	.	H	α-helix	trans	-59.2	-48.2	175.3	-171.3	0	0	0	0	111.7	K137 Q138 N143 T144 A145	K137-S141 WeakPolarHBondContact O-CB 3.32Å; K137-S141 PolarHBondContact O-N 3.24Å; Q138-S141 CarbonylContact O-C 3.57Å; Q138-S141 WeakPolarHBondContact O-CA 3.09Å; Q138-S141 VanDerWaalsContact O-CB 3.32Å; Q138-S141 WeakPolarHBondContact O-CB 3.48Å; Q138-S141 PolarHBondContact O-N 3.29Å; Q138-S141 VanDerWaalsContact O-N 3.09Å; S141-N143 VanDerWaalsContact C-N 3.32Å; S141-N143 PolarHBondContact O-N 3.39Å; S141-T144 WeakPolarHBondContact CA-OG1 3.43Å; S141-T144 PolarHBondContact O-N 2.95Å; S141-T144 PolarHBondContact O-OG1 3.05Å; S141-T144 VanDerWaalsContact O-OG1 3.1Å; S141-A145 WeakPolarHBondContact O-CB 3.37Å; S141-A145 PolarHBondContact O-N 3.03Å
142	D	74.6	Confident	69.1	Low	30 Å²	30	79.2 Å²	79.2	16%	0.16	44%	0.437	C	S	.	.	H	α-helix	trans	-63.1	-38.6	179.5	-69.4	-21.8	0	0	0	111.5	Q138 T139 H645 G646	Q138-D142 PolarHBondContact NE2-OD1 3.4Å; Q138-D142 VanDerWaalsContact NE2-OD1 3.16Å; Q138-D142 WeakPolarHBondContact O-CB 3.42Å; Q138-D142 VanDerWaalsContact O-CG 3.31Å; Q138-D142 PolarHBondContact O-N 3.27Å; T139-D142 PolarHBondContact O-N 2.93Å; D142-H645 IonicContact OD1-ND1 3.76Å; D142-G646 PolarHBondContact OD2-N 3.5Å
143	N	73.2	Confident	67.4	Low	122 Å²	122	84.5 Å²	84.5	65%	0.652	46%	0.459	S	S	*	.	H	α-helix	trans	-73.1	-32.6	176.7	-72.3	-24.1	0	0	0	113.2	T139 I140 S141	T139-N143 WeakPolarHBondContact O-CB 3.4Å; T139-N143 PolarHBondContact O-N 2.78Å; T139-N143 PolarHBondContact O-ND2 3.17Å; I140-N143 PolarHBondContact O-N 2.84Å; S141-N143 VanDerWaalsContact C-N 3.32Å; S141-N143 PolarHBondContact O-N 3.39Å
144	T	71.7	Confident	65.2	Low	95 Å²	95	81.4 Å²	81.4	58%	0.583	44%	0.44	S	S	*	.	H	α-helix	trans	-85.4	-28.1	-179	52.2	0	0	0	0	112.9	I140 S141 S146	I140-T144 HydrophobicContact CG2-CG2 4.16Å; I140-T144 WeakPolarHBondContact O-CB 3.36Å; I140-T144 VanDerWaalsContact O-CG2 3.24Å; I140-T144 WeakPolarHBondContact O-CG2 3.28Å; I140-T144 PolarHBondContact O-N 3.12Å; I140-T144 PolarHBondContact O-OG1 3.15Å; S141-T144 WeakPolarHBondContact CA-OG1 3.43Å; S141-T144 PolarHBondContact O-N 2.95Å; S141-T144 PolarHBondContact O-OG1 3.05Å; S141-T144 VanDerWaalsContact O-OG1 3.1Å; T144-S146 PolarHBondContact O-N 3.29Å; T144-S146 PolarHBondContact O-OG 3.46Å
145	A	64.3	Low	63.3	Low	37 Å²	37	79 Å²	79	31%	0.306	43%	0.429	S	S	.	.			trans	-67.5	20.3	177	0	0	0	0	0	114.3	S141 S147	S141-A145 WeakPolarHBondContact O-CB 3.37Å; S141-A145 PolarHBondContact O-N 3.03Å; A145-S147 PolarHBondContact O-N 3.05Å
146	S	51.5	Low	61.6	Low	99 Å²	99	81.5 Å²	81.5	69%	0.692	44%	0.444	S	S	*	.			trans	-50	1.9	179.5	61.9	0	0	0	0	117.3	T144 A148	T144-S146 PolarHBondContact O-N 3.29Å; T144-S146 PolarHBondContact O-OG 3.46Å; S146-A148 VanDerWaalsContact C-N 3.34Å; S146-A148 PolarHBondContact O-N 3.32Å
147	S	47.7	Very low	59.3	Low	108 Å²	108	79.8 Å²	79.8	76%	0.755	45%	0.445	S	S	*	.	S	Bend	trans	-63.5	92.9	163.3	-53.4	0	0	0	0	109.9	A145	A145-S147 PolarHBondContact O-N 3.05Å
148	A	44.2	Very low	57.3	Low	86 Å²	86	80.9 Å²	80.9	71%	0.711	45%	0.446	S	S	*	.	S	Bend	trans	91.5	2.8	157.8	0	0	0	0	0	120.7	S146 F150	S146-A148 VanDerWaalsContact C-N 3.34Å; S146-A148 PolarHBondContact O-N 3.32Å; A148-F150 PolarHBondContact O-N 2.6Å; A148-F150 VanDerWaalsContact O-N 3.15Å
149	V	47.2	Very low	55.6	Low	46 Å²	46	83.2 Å²	83.2	28%	0.279	46%	0.46	S	S	.	.			trans	-89.8	80.9	169.2	-159.3	0	0	0	0	110.7	Y151 S642	V149-Y151 HydrophobicContact CB-CD2 4.4Å; V149-Y151 HydrophobicContact CB-CE2 4.43Å; V149-Y151 HydrophobicContact CG1-CD1 4.39Å; V149-Y151 HydrophobicContact CG1-CD2 3.26Å; V149-Y151 HydrophobicContact CG1-CE1 4.28Å; V149-Y151 HydrophobicContact CG1-CE2 3.13Å; V149-Y151 HydrophobicContact CG1-CG 3.9Å; V149-Y151 PolarHBondContact O-N 3.37Å; V149-S642 VanDerWaalsContact CG2-CB 3.49Å
150	F	42.8	Very low	54.1	Low	178 Å²	178	91.5 Å²	91.5	78%	0.781	50%	0.495	S	S	*	.			trans	-69.1	66.8	163.8	-80.2	-89	0	0	0	109.8	A148 S152 V157	A148-F150 PolarHBondContact O-N 2.6Å; A148-F150 VanDerWaalsContact O-N 3.15Å; F150-S152 PolarHBondContact O-N 3.16Å; F150-V157 HydrophobicContact CD1-CG2 4.48Å
151	Y	47.9	Very low	52.5	Low	125 Å²	125	91.1 Å²	91.1	49%	0.49	49%	0.493	S	S	.	.			trans	-72.4	89.5	149	-64.6	-57.6	0	0	0	105	V149 K153	V149-Y151 HydrophobicContact CB-CD2 4.4Å; V149-Y151 HydrophobicContact CB-CE2 4.43Å; V149-Y151 HydrophobicContact CG1-CD1 4.39Å; V149-Y151 HydrophobicContact CG1-CD2 3.26Å; V149-Y151 HydrophobicContact CG1-CE1 4.28Å; V149-Y151 HydrophobicContact CG1-CE2 3.13Å; V149-Y151 HydrophobicContact CG1-CG 3.9Å; V149-Y151 PolarHBondContact O-N 3.37Å; Y151-K153 PolarHBondContact O-N 3.39Å
152	S	44.1	Very low	51.1	Low	45 Å²	45	95.3 Å²	95.3	32%	0.315	51%	0.511	S	S	.	.			trans	-64.2	94.9	164.1	59.7	0	0	0	0	105.9	F150 W154	F150-S152 PolarHBondContact O-N 3.16Å; S152-W154 PolarHBondContact O-N 3.18Å; S152-W154 VanDerWaalsContact O-N 3.09Å
153	K	49.5	Very low	49.9	Very low	136 Å²	136	99 Å²	99	59%	0.591	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-49	123.8	163.2	-76.1	-173.9	178.7	-177.5	0	104.7	Y151	Y151-K153 PolarHBondContact O-N 3.39Å
154	W	42.6	Very low	48.9	Very low	34 Å²	34	102.9 Å²	102.9	13%	0.129	55%	0.545	C	S	.	.	S	Bend	trans	-50.1	135.2	178.7	-157.5	82.7	0	0	0	108.8	S152 R193 F194 P543 Y590 L621	S152-W154 PolarHBondContact O-N 3.18Å; S152-W154 VanDerWaalsContact O-N 3.09Å; W154-R193 HydrophobicContact CH2-CB 3.75Å; W154-R193 HydrophobicContact CH2-CG 4.46Å; W154-R193 HydrophobicContact CZ2-CB 3.6Å; W154-F194 AromaticContact CH2-CD1 3.88Å; W154-F194 HydrophobicContact CH2-CD1 3.88Å; W154-F194 HydrophobicContact CH2-CE1 4.23Å; W154-F194 HydrophobicContact CZ2-CD1 4.07Å; W154-P543 HydrophobicContact CH2-CB 4.49Å; W154-P543 HydrophobicContact CH2-CG 3.87Å; W154-P543 HydrophobicContact CZ3-CB 4.38Å; W154-P543 HydrophobicContact CZ3-CG 3.93Å; W154-Y590 VanDerWaalsContact CB-CB 3.46Å; W154-Y590 HydrophobicContact CB-CD2 3.94Å; W154-Y590 HydrophobicContact CB-CG 3.76Å; W154-Y590 HydrophobicContact CG-CG 4.36Å; W154-L621 HydrophobicContact CZ2-CD2 4.46Å
155	P	44	Very low	48	Very low	36 Å²	36	102.5 Å²	102.5	23%	0.234	55%	0.547	C	S	.	.	S	Bend	cis	-89.7	152.8	7.9	40.3	-42	0	0	0	114.6	R193	P155-R193 HydrophobicContact CB-CG 3.73Å; P155-R193 VanDerWaalsContact CB-NE 3.33Å
156	V	47.7	Very low	47.7	Very low	53 Å²	53	105 Å²	105	32%	0.321	55%	0.554	S	S	.	*			trans	-20	129.5	163.5	-161.4	0	0	0	0	113.5	Y158 Y594	V156-Y158 PolarHBondContact O-N 3.06Å; V156-Y594 WeakPolarHBondContact CG1-OH 3.49Å; V156-Y594 WeakPolarHBondContact CG2-OH 3.15Å
157	V	40.7	Very low	48.3	Very low	69 Å²	69	105 Å²	105	42%	0.418	55%	0.546	S	S	.	.			trans	-30.2	112	163.8	177.8	0	0	0	0	108.7	F150 L159	F150-V157 HydrophobicContact CD1-CG2 4.48Å; V157-L159 HydrophobicContact CG1-CD2 4.02Å; V157-L159 HydrophobicContact CG1-CG 4.14Å; V157-L159 PolarHBondContact O-N 3.36Å
158	Y	44.3	Very low	49	Very low	154 Å²	154	106 Å²	106	60%	0.604	53%	0.534	S	S	*	.			trans	-62.1	92	162	-75.6	-88.7	0	0	0	104.6	V156 K160 R193	V156-Y158 PolarHBondContact O-N 3.06Å; Y158-K160 PolarHBondContact O-N 3.1Å; Y158-R193 PolarHBondContact OH-NH2 3.47Å
159	L	45.7	Very low	49.7	Very low	119 Å²	119	107.2 Å²	107.2	62%	0.623	54%	0.535	S	S	*	.			trans	-63.2	92.4	163.5	-74.7	172	0	0	0	103.8	V157 L161 F191	V157-L159 HydrophobicContact CG1-CD2 4.02Å; V157-L159 HydrophobicContact CG1-CG 4.14Å; V157-L159 PolarHBondContact O-N 3.36Å; L159-L161 PolarHBondContact O-N 2.95Å; L159-F191 VanDerWaalsContact O-CE1 3.26Å; L159-F191 WeakPolarHBondContact O-CE1 3.39Å
160	K	49.4	Very low	50.3	Low	190 Å²	190	107.9 Å²	107.9	83%	0.826	54%	0.539	S	S	*	.			trans	-64.5	85.1	164.7	-130.6	-173.9	-176.9	-175.1	0	104	Y158 N162	Y158-K160 PolarHBondContact O-N 3.1Å; K160-N162 VanDerWaalsContact C-N 3.31Å; K160-N162 PolarHBondContact O-N 3.38Å
161	L	49.2	Very low	51	Low	96 Å²	96	102.1 Å²	102.1	50%	0.503	52%	0.519	S	S	.	.			trans	-61.7	104.4	170.8	-91.5	139.8	0	0	0	104.6	L159 N163 F191	L159-L161 PolarHBondContact O-N 2.95Å; L161-N163 PolarHBondContact O-N 3.45Å; L161-F191 HydrophobicContact CD1-CZ 4.35Å
162	N	49.9	Very low	51.2	Low	143 Å²	143	100 Å²	100	77%	0.765	52%	0.522	S	S	*	.	S	Bend	trans	-64.5	82.1	160.9	-83.8	-2.6	0	0	0	105.9	K160	K160-N162 VanDerWaalsContact C-N 3.31Å; K160-N162 PolarHBondContact O-N 3.38Å
163	N	50.4	Low	51.6	Low	107 Å²	107	100.5 Å²	100.5	57%	0.572	53%	0.526	S	S	*	.			trans	161.2	114.5	151.8	-84.4	-14.9	0	0	0	109.8	L161 S165	L161-N163 PolarHBondContact O-N 3.45Å; N163-S165 PolarHBondContact O-N 2.94Å
164	E	51.8	Low	51.9	Low	204 Å²	204	97.2 Å²	97.2	95%	0.953	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	4.4	165.9	-66	-177.8	152.8	0	0	113.3
165	S	54	Low	52.6	Low	88 Å²	88	102.3 Å²	102.3	62%	0.615	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-9.1	-169.4	58.7	0	0	0	0	116.3	N163 N167	N163-S165 PolarHBondContact O-N 2.94Å; S165-N167 PolarHBondContact O-N 3.45Å
166	I	57.3	Low	53.6	Low	90 Å²	90	106.8 Å²	106.8	46%	0.462	57%	0.567	S	S	.	*			trans	-86.8	95.7	175.9	-54	176.1	0	0	0	108.3	R190	I166-R190 PolarHBondContact O-NH1 3.26Å; I166-R190 PolarHBondContact O-NH2 3.43Å
167	N	63.4	Low	54.7	Low	99 Å²	99	110.5 Å²	110.5	53%	0.529	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-89.8	127.8	164.7	-81.5	-24.9	0	0	0	108.8	S165	S165-N167 PolarHBondContact O-N 3.45Å
168	Y	62.3	Low	56.5	Low	127 Å²	127	107.8 Å²	107.8	50%	0.498	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-65.5	129	167.1	-72.8	-73.3	0	0	0	108.2	V170 W186 N187	Y168-V170 PolarHBondContact O-N 3.29Å; Y168-W186 HydrophobicContact CD2-CB 4.03Å; Y168-W186 HydrophobicContact CG-CB 4.48Å; Y168-N187 PolarHBondContact N-OD1 3.05Å; Y168-N187 PolarHBondContact O-ND2 3.38Å
169	P	60.1	Low	58.4	Low	112 Å²	112	103.4 Å²	103.4	73%	0.727	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-64	119.8	174.3	26.1	-31.3	0	0	0	108.2	T171	P169-T171 PolarHBondContact O-N 3.44Å
170	V	59.4	Low	60.3	Low	61 Å²	61	98.7 Å²	98.7	37%	0.37	53%	0.533	S	S	.	.			trans	-83.7	107.1	166.2	-177.2	0	0	0	0	105.4	Y168 S172 N185	Y168-V170 PolarHBondContact O-N 3.29Å; V170-S172 PolarHBondContact O-N 3.03Å; V170-S172 VanDerWaalsContact O-N 3.11Å; V170-N185 HydrophobicContact CG2-CB 4.37Å
171	T	56.2	Low	61.9	Low	56 Å²	56	97.6 Å²	97.6	34%	0.344	53%	0.531	S	S	.	.			trans	-67.5	110.3	176	42.1	0	0	0	0	108.7	P169 S173 S182	P169-T171 PolarHBondContact O-N 3.44Å; T171-S173 VanDerWaalsContact C-N 3.28Å; T171-S182 WeakPolarHBondContact OG1-CB 3.49Å; T171-S182 PolarHBondContact OG1-O 2.85Å; T171-S182 VanDerWaalsContact OG1-O 3.06Å
172	S	53.7	Low	63.5	Low	80 Å²	80	94.1 Å²	94.1	56%	0.559	52%	0.515	S	S	*	.			trans	-87.3	3.5	169.2	56.9	0	0	0	0	112.7	V170 S174	V170-S172 PolarHBondContact O-N 3.03Å; V170-S172 VanDerWaalsContact O-N 3.11Å; S172-S174 PolarHBondContact O-N 2.64Å; S172-S174 VanDerWaalsContact O-N 3.09Å
173	S	51.8	Low	65.1	Low	57 Å²	57	87.8 Å²	87.8	40%	0.399	48%	0.482	S	S	.	.			trans	-61.6	115.4	-171.9	55	0	0	0	0	111.2	T171 N175 E176	T171-S173 VanDerWaalsContact C-N 3.28Å; S173-N175 PolarHBondContact O-N 3.09Å; S173-E176 PolarHBondContact O-N 3.41Å
174	S	56.5	Low	66.8	Low	66 Å²	66	82.9 Å²	82.9	46%	0.462	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	1.8	-174.5	54.5	0	0	0	0	115.6	S172 N280	S172-S174 PolarHBondContact O-N 2.64Å; S172-S174 VanDerWaalsContact O-N 3.09Å; S174-N280 WeakPolarHBondContact O-CB 3.4Å; S174-N280 PolarHBondContact O-ND2 3.48Å
175	N	56.4	Low	68.5	Low	142 Å²	142	73.5 Å²	73.5	76%	0.759	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-8	-176.5	-80.2	-7.2	0	0	0	114.8	S173	S173-N175 PolarHBondContact O-N 3.09Å
176	E	65.1	Low	69.9	Low	130 Å²	130	72.4 Å²	72.4	61%	0.607	39%	0.394	S	S	*	.	S	Bend	trans	-98.5	142	177.7	-68.2	-169.2	172.5	0	0	111.4	S173 C178	S173-E176 PolarHBondContact O-N 3.41Å; E176-C178 PolarHBondContact O-N 3.05Å
177	L	71.5	Confident	71.1	Confident	130 Å²	130	69.3 Å²	69.3	68%	0.681	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-64.3	125	173.9	-74.4	166.3	0	0	0	109.5	T179	L177-T179 PolarHBondContact O-N 3.44Å
178	C	78	Confident	72.2	Confident	12 Å²	12	65.5 Å²	65.5	8%	0.081	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-59	131	175.3	-88.6	0	0	0	0	112.5	E176 C183 N283 F300	E176-C178 PolarHBondContact O-N 3.05Å; C178-C183 WeakPolarHBondContact CA-SG 3.4Å; C178-C183 HydrophobicContact CB-CB 3.78Å; C178-C183 WeakPolarHBondContact CB-SG 3.3Å; C178-C183 WeakPolarHBondContact SG-CB 3.28Å; C178-C183 CovalentContact SG-SG 2.03Å; C178-C183 PolarHBondContact SG-SG 3.22Å; C178-N283 VanDerWaalsContact SG-CA 3.59Å; C178-N283 PolarHBondContact SG-OD1 3.27Å; C178-F300 HydrophobicContact CB-CD1 4.39Å; C178-F300 HydrophobicContact CB-CE1 3.92Å; C178-F300 HydrophobicContact CB-CE2 4.34Å; C178-F300 HydrophobicContact CB-CZ 3.89Å
179	T	84.7	Confident	73.3	Confident	63 Å²	63	59.9 Å²	59.9	39%	0.387	34%	0.336	S	S	.	.			trans	-120.8	169.4	170.1	73.9	0	0	0	0	109.7	L177 E181 S182 C183 F300	L177-T179 PolarHBondContact O-N 3.44Å; T179-E181 PolarHBondContact O-N 3.33Å; T179-E181 PolarHBondContact OG1-N 3.47Å; T179-S182 PolarHBondContact N-OG 3.14Å; T179-S182 PolarHBondContact O-N 2.76Å; T179-S182 PolarHBondContact OG1-N 2.95Å; T179-S182 PolarHBondContact OG1-OG 2.89Å; T179-C183 PolarHBondContact O-N 3.39Å; T179-C183 VanDerWaalsContact O-N 3.07Å; T179-F300 VanDerWaalsContact C-CD2 3.45Å; T179-F300 VanDerWaalsContact O-CE2 3.28Å; T179-F300 WeakPolarHBondContact O-CE2 3.28Å
180	I	85.9	Confident	74.1	Confident	20 Å²	20	57.4 Å²	57.4	10%	0.103	31%	0.312	C	S	.	.	H	α-helix	trans	-57.1	-33.2	173	-67.7	160.6	0	0	0	110.9	I184 W186 G299 F300 R536 L537	I180-I184 HydrophobicContact CG2-CG1 4.49Å; I180-I184 WeakPolarHBondContact O-CB 3.42Å; I180-I184 WeakPolarHBondContact O-CG1 3.23Å; I180-W186 HydrophobicContact CG2-CH2 4.22Å; I180-W186 HydrophobicContact CG2-CZ2 3.62Å; I180-W186 WeakPolarHBondContact O-CZ2 3.49Å; I180-W186 PolarHBondContact O-NE1 2.91Å; I180-W186 VanDerWaalsContact O-NE1 3.08Å; I180-G299 WeakPolarHBondContact CD1-O 3.39Å; I180-G299 WeakPolarHBondContact CG1-O 3.37Å; I180-F300 HydrophobicContact CG1-CD2 4.26Å; I180-R536 HydrophobicContact CD1-CG 3.26Å; I180-R536 HydrophobicContact CG1-CG 4.07Å; I180-L537 HydrophobicContact CG2-CD2 3.71Å
181	E	83.1	Confident	74.8	Confident	166 Å²	166	59.9 Å²	59.9	78%	0.776	32%	0.318	S	S	*	.	H	α-helix	trans	-78.5	-37.2	-177.1	-63.1	176.4	177.2	0	0	111.7	T179	T179-E181 PolarHBondContact O-N 3.33Å; T179-E181 PolarHBondContact OG1-N 3.47Å
182	S	80.9	Confident	75.9	Confident	24 Å²	24	58.3 Å²	58.3	17%	0.168	31%	0.307	C	S	.	.	H	α-helix	trans	-89.9	-37.2	-172	63.7	0	0	0	0	114.8	T171 T179	T171-S182 WeakPolarHBondContact OG1-CB 3.49Å; T171-S182 PolarHBondContact OG1-O 2.85Å; T171-S182 VanDerWaalsContact OG1-O 3.06Å; T179-S182 PolarHBondContact N-OG 3.14Å; T179-S182 PolarHBondContact O-N 2.76Å; T179-S182 PolarHBondContact OG1-N 2.95Å; T179-S182 PolarHBondContact OG1-OG 2.89Å
183	C	83.8	Confident	77.1	Confident	10 Å²	10	59.4 Å²	59.4	7%	0.068	30%	0.299	C	S	.	.	H	α-helix	trans	-105.5	-9.7	-169.9	-65.2	0	0	0	0	115	C178 T179 F300	C178-C183 WeakPolarHBondContact CA-SG 3.4Å; C178-C183 HydrophobicContact CB-CB 3.78Å; C178-C183 WeakPolarHBondContact CB-SG 3.3Å; C178-C183 WeakPolarHBondContact SG-CB 3.28Å; C178-C183 CovalentContact SG-SG 2.03Å; C178-C183 PolarHBondContact SG-SG 3.22Å; T179-C183 PolarHBondContact O-N 3.39Å; T179-C183 VanDerWaalsContact O-N 3.07Å; C183-F300 HydrophobicContact CB-CE2 4.15Å; C183-F300 HydrophobicContact CB-CZ 3.89Å
184	I	87.1	Confident	78.8	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.015	29%	0.285	C	S	.	.	S	Bend	trans	-82	130.2	173.4	-57.3	-61	0	0	0	109.3	I180 W186 T257 L285 F300 L537	I180-I184 HydrophobicContact CG2-CG1 4.49Å; I180-I184 WeakPolarHBondContact O-CB 3.42Å; I180-I184 WeakPolarHBondContact O-CG1 3.23Å; I184-W186 VanDerWaalsContact C-N 3.26Å; I184-W186 HydrophobicContact CB-CD2 4.44Å; I184-W186 HydrophobicContact CB-CZ2 4.21Å; I184-W186 HydrophobicContact CG2-CD2 4.05Å; I184-W186 HydrophobicContact CG2-CE3 4.46Å; I184-W186 HydrophobicContact CG2-CG 4.4Å; I184-W186 HydrophobicContact CG2-CZ2 4.22Å; I184-W186 PolarHBondContact O-N 3.39Å; I184-T257 HydrophobicContact CD1-CG2 3.93Å; I184-L285 HydrophobicContact CD1-CD1 4.02Å; I184-L285 HydrophobicContact CD1-CD2 4.21Å; I184-L285 HydrophobicContact CD1-CG 4.09Å; I184-F300 HydrophobicContact CD1-CE2 4.4Å; I184-L537 HydrophobicContact CD1-CD2 4.39Å; I184-L537 HydrophobicContact CG1-CD2 4.11Å
185	N	86.4	Confident	80.4	Confident	7 Å²	7	54.7 Å²	54.7	4%	0.037	26%	0.263	C	S	.	.			trans	-75.8	80.8	172.1	-175.2	1.2	0	0	0	109.8	V170 N187 R188 T253 L255 T257	V170-N185 HydrophobicContact CG2-CB 4.37Å; N185-N187 PolarHBondContact O-N 3.18Å; N185-N187 VanDerWaalsContact O-N 3.08Å; N185-N187 WeakPolarHBondContact OD1-CB 3.42Å; N185-N187 PolarHBondContact OD1-N 2.8Å; N185-N187 PolarHBondContact OD1-ND2 3.45Å; N185-R188 WeakPolarHBondContact ND2-CG 3.34Å; N185-R188 WeakPolarHBondContact O-CB 3.43Å; N185-R188 PolarHBondContact O-N 2.89Å; N185-T253 PolarHBondContact ND2-O 3.18Å; N185-L255 PolarHBondContact ND2-O 2.81Å; N185-T257 PolarHBondContact N-OG1 3.5Å
186	W	84.8	Confident	82.1	Confident	65 Å²	65	50.6 Å²	50.6	25%	0.246	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-59.9	-20	-179	-69.5	104.1	0	0	0	113.9	Y168 I180 I184 R188 C189 R190 L537 F539	Y168-W186 HydrophobicContact CD2-CB 4.03Å; Y168-W186 HydrophobicContact CG-CB 4.48Å; I180-W186 HydrophobicContact CG2-CH2 4.22Å; I180-W186 HydrophobicContact CG2-CZ2 3.62Å; I180-W186 WeakPolarHBondContact O-CZ2 3.49Å; I180-W186 PolarHBondContact O-NE1 2.91Å; I180-W186 VanDerWaalsContact O-NE1 3.08Å; I184-W186 VanDerWaalsContact C-N 3.26Å; I184-W186 HydrophobicContact CB-CD2 4.44Å; I184-W186 HydrophobicContact CB-CZ2 4.21Å; I184-W186 HydrophobicContact CG2-CD2 4.05Å; I184-W186 HydrophobicContact CG2-CE3 4.46Å; I184-W186 HydrophobicContact CG2-CG 4.4Å; I184-W186 HydrophobicContact CG2-CZ2 4.22Å; I184-W186 PolarHBondContact O-N 3.39Å; W186-R188 PolarHBondContact O-N 2.87Å; W186-C189 HydrophobicContact CE3-CB 4.06Å; W186-C189 PolarHBondContact O-N 3.45Å; W186-C189 VanDerWaalsContact O-N 3.09Å; W186-R190 WeakPolarHBondContact O-CG 3.25Å; W186-R190 PolarHBondContact O-N 2.83Å; W186-L537 HydrophobicContact CH2-CB 4.39Å; W186-L537 HydrophobicContact CH2-CD2 4.14Å; W186-L537 HydrophobicContact CZ2-CD2 4.44Å; W186-F539 HydrophobicContact CZ3-CE2 4.29Å; W186-F539 HydrophobicContact CZ3-CZ 4.2Å
187	N	82.7	Confident	83.4	Confident	26 Å²	26	44.6 Å²	44.6	14%	0.139	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-61.9	-32.3	174.9	-57	-47.6	0	0	0	111.6	Y168 N185 C189 R190	Y168-N187 PolarHBondContact N-OD1 3.05Å; Y168-N187 PolarHBondContact O-ND2 3.38Å; N185-N187 PolarHBondContact O-N 3.18Å; N185-N187 VanDerWaalsContact O-N 3.08Å; N185-N187 WeakPolarHBondContact OD1-CB 3.42Å; N185-N187 PolarHBondContact OD1-N 2.8Å; N185-N187 PolarHBondContact OD1-ND2 3.45Å; N187-C189 VanDerWaalsContact C-N 3.34Å; N187-R190 PolarHBondContact OD1-NH2 2.8Å
188	R	85.3	Confident	84.2	Confident	19 Å²	19	38.4 Å²	38.4	7%	0.072	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-81.1	-13.8	176.5	-67.4	-60	-53.8	-137.4	4	114.2	N185 W186 C224 N225 S230 N254	N185-R188 WeakPolarHBondContact ND2-CG 3.34Å; N185-R188 WeakPolarHBondContact O-CB 3.43Å; N185-R188 PolarHBondContact O-N 2.89Å; W186-R188 PolarHBondContact O-N 2.87Å; R188-C224 PolarHBondContact NH2-O 2.82Å; R188-N225 PolarHBondContact NH2-O 2.93Å; R188-S230 PolarHBondContact NE-O 3.06Å; R188-S230 PolarHBondContact NH2-O 3.4Å; R188-S230 PolarHBondContact NH2-OG 3.48Å; R188-N254 WeakPolarHBondContact CD-O 3.41Å; R188-N254 PolarHBondContact NH1-O 2.72Å
189	C	85.3	Confident	84.6	Confident	9 Å²	9	38 Å²	38	6%	0.061	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-101.3	7.2	179.9	-51.1	0	0	0	0	112.1	W186 N187 I192 C231 F539	W186-C189 HydrophobicContact CE3-CB 4.06Å; W186-C189 PolarHBondContact O-N 3.45Å; W186-C189 VanDerWaalsContact O-N 3.09Å; N187-C189 VanDerWaalsContact C-N 3.34Å; C189-I192 HydrophobicContact CB-CD1 4.35Å; C189-C231 HydrophobicContact CB-CB 3.81Å; C189-C231 WeakPolarHBondContact CB-SG 3.26Å; C189-C231 WeakPolarHBondContact SG-CB 3.09Å; C189-C231 CovalentContact SG-SG 2.04Å; C189-C231 PolarHBondContact SG-SG 2.68Å; C189-F539 HydrophobicContact CB-CZ 3.94Å
190	R	77.7	Confident	84	Confident	60 Å²	60	39.3 Å²	39.3	23%	0.226	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	145.3	174.7	-65.6	-176.9	176.1	-179.2	-2.7	110.8	I166 W186 N187 I192	I166-R190 PolarHBondContact O-NH1 3.26Å; I166-R190 PolarHBondContact O-NH2 3.43Å; W186-R190 WeakPolarHBondContact O-CG 3.25Å; W186-R190 PolarHBondContact O-N 2.83Å; N187-R190 PolarHBondContact OD1-NH2 2.8Å; R190-I192 PolarHBondContact O-N 3.21Å; R190-I192 VanDerWaalsContact O-N 3.08Å
191	F	74.2	Confident	83	Confident	113 Å²	113	40.6 Å²	40.6	50%	0.496	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	14.8	173.1	-45.6	-63.6	0	0	0	116.4	L159 L161	L159-F191 VanDerWaalsContact O-CE1 3.26Å; L159-F191 WeakPolarHBondContact O-CE1 3.39Å; L161-F191 HydrophobicContact CD1-CZ 4.35Å
192	I	78.9	Confident	82	Confident	22 Å²	22	38.6 Å²	38.6	11%	0.113	17%	0.17	C	C	.	.			trans	-86.3	139.6	172.1	72.4	-175.9	0	0	0	110.6	C189 R190 N229 C231 F539	C189-I192 HydrophobicContact CB-CD1 4.35Å; R190-I192 PolarHBondContact O-N 3.21Å; R190-I192 VanDerWaalsContact O-N 3.08Å; I192-N229 HydrophobicContact CG2-CB 4.03Å; I192-N229 WeakPolarHBondContact CG2-O 3.38Å; I192-C231 HydrophobicContact CD1-CB 3.67Å; I192-F539 HydrophobicContact CD1-CD1 4.08Å; I192-F539 HydrophobicContact CD1-CE1 3.54Å; I192-F539 HydrophobicContact CD1-CE2 4.15Å; I192-F539 HydrophobicContact CD1-CZ 3.61Å; I192-F539 HydrophobicContact CG1-CD1 4.02Å; I192-F539 HydrophobicContact CG1-CE1 3.49Å; I192-F539 VanDerWaalsContact CG1-CE1 3.49Å; I192-F539 HydrophobicContact CG1-CZ 4.05Å
193	R	78.9	Confident	80.7	Confident	104 Å²	104	38.5 Å²	38.5	39%	0.392	17%	0.173	S	C	.	.	S	Bend	trans	-79.6	-30.2	179.5	-61.6	178.1	-178.8	-169.1	7.4	112.7	W154 P155 Y158 P540	W154-R193 HydrophobicContact CH2-CB 3.75Å; W154-R193 HydrophobicContact CH2-CG 4.46Å; W154-R193 HydrophobicContact CZ2-CB 3.6Å; P155-R193 HydrophobicContact CB-CG 3.73Å; P155-R193 VanDerWaalsContact CB-NE 3.33Å; Y158-R193 PolarHBondContact OH-NH2 3.47Å; R193-P540 WeakPolarHBondContact O-CG 3.44Å
194	F	87.6	Confident	79.5	Confident	24 Å²	24	40.9 Å²	40.9	11%	0.105	19%	0.19	C	C	.	.	S	Bend	trans	-155.6	165.4	176.8	58.9	-92.2	0	0	0	107.5	W154 K196 P218 P540 P542	W154-F194 AromaticContact CH2-CD1 3.88Å; W154-F194 HydrophobicContact CH2-CD1 3.88Å; W154-F194 HydrophobicContact CH2-CE1 4.23Å; W154-F194 HydrophobicContact CZ2-CD1 4.07Å; F194-K196 HydrophobicContact CD2-CD 4.39Å; F194-K196 HydrophobicContact CE2-CD 3.8Å; F194-K196 HydrophobicContact CZ-CD 4.33Å; F194-K196 PolarHBondContact O-N 2.83Å; F194-P218 HydrophobicContact CE2-CB 4.48Å; F194-P218 VanDerWaalsContact CE2-O 3.28Å; F194-P218 WeakPolarHBondContact CE2-O 3.41Å; F194-P540 WeakPolarHBondContact CB-O 3.28Å; F194-P542 HydrophobicContact CD1-CB 4.41Å; F194-P542 HydrophobicContact CD2-CB 3.95Å; F194-P542 HydrophobicContact CE1-CB 4.35Å; F194-P542 HydrophobicContact CE2-CB 3.88Å; F194-P542 HydrophobicContact CG-CB 4.2Å; F194-P542 HydrophobicContact CZ-CB 4.07Å
195	L	90.8	Very high	78.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.226	C	C	.	.			trans	-61.7	128.5	-173.1	-177.2	61.4	0	0	0	112.2	F197 H219 C231 L232 V533 L537 F539	L195-F197 HydrophobicContact CB-CE2 4.42Å; L195-F197 HydrophobicContact CD2-CD2 4.44Å; L195-F197 HydrophobicContact CD2-CE1 4.36Å; L195-F197 HydrophobicContact CD2-CE2 3.36Å; L195-F197 HydrophobicContact CD2-CZ 3.32Å; L195-F197 HydrophobicContact CG-CD2 4.16Å; L195-F197 HydrophobicContact CG-CE2 3.49Å; L195-F197 VanDerWaalsContact CG-CE2 3.49Å; L195-F197 HydrophobicContact CG-CZ 3.89Å; L195-H219 PolarHBondContact O-ND1 3.04Å; L195-C231 HydrophobicContact CD1-CB 3.92Å; L195-L232 HydrophobicContact CD1-CD1 4.12Å; L195-L232 HydrophobicContact CD1-CG 4.19Å; L195-L232 HydrophobicContact CD2-CD1 4.27Å; L195-V533 HydrophobicContact CD2-CB 4.15Å; L195-V533 HydrophobicContact CD2-CG1 3.58Å; L195-L537 HydrophobicContact CD1-CD1 4.06Å; L195-L537 HydrophobicContact CD2-CD1 4.39Å; L195-F539 HydrophobicContact CB-CB 4.1Å; L195-F539 HydrophobicContact CB-CD2 4.04Å; L195-F539 HydrophobicContact CB-CG 4.17Å; L195-F539 HydrophobicContact CD1-CD2 3.88Å; L195-F539 HydrophobicContact CD1-CE2 4.05Å; L195-F539 HydrophobicContact CG-CD2 4.44Å
196	K	91.7	Very high	76.8	Confident	55 Å²	55	51.4 Å²	51.4	24%	0.239	25%	0.246	C	C	.	.			trans	-115.9	133.3	176.5	-68.9	-65.5	-166.4	166.9	0	112	F194 P218 H219 C231 L232	F194-K196 HydrophobicContact CD2-CD 4.39Å; F194-K196 HydrophobicContact CE2-CD 3.8Å; F194-K196 HydrophobicContact CZ-CD 4.33Å; F194-K196 PolarHBondContact O-N 2.83Å; K196-P218 PolarHBondContact NZ-O 3.38Å; K196-H219 CarbonylContact C-O 3.58Å; K196-H219 VanDerWaalsContact CA-O 3.26Å; K196-H219 WeakPolarHBondContact CA-O 3.27Å; K196-C231 PolarHBondContact O-N 2.79Å; K196-L232 PolarHBondContact O-N 2.82Å
197	F	91.3	Very high	75.6	Confident	5 Å²	5	48.4 Å²	48.4	2%	0.022	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.4	176.9	-62	-103.1	0	0	0	110.3	L195 H219 F220 T221 L232 L234 I259 L530 V533	L195-F197 HydrophobicContact CB-CE2 4.42Å; L195-F197 HydrophobicContact CD2-CD2 4.44Å; L195-F197 HydrophobicContact CD2-CE1 4.36Å; L195-F197 HydrophobicContact CD2-CE2 3.36Å; L195-F197 HydrophobicContact CD2-CZ 3.32Å; L195-F197 HydrophobicContact CG-CD2 4.16Å; L195-F197 HydrophobicContact CG-CE2 3.49Å; L195-F197 VanDerWaalsContact CG-CE2 3.49Å; L195-F197 HydrophobicContact CG-CZ 3.89Å; F197-H219 HydrophobicContact CD2-CB 3.95Å; F197-H219 HydrophobicContact CE2-CB 4.32Å; F197-H219 PolarHBondContact N-O 2.97Å; F197-F220 CarbonylContact O-C 3.29Å; F197-F220 WeakPolarHBondContact O-CA 3.34Å; F197-T221 PolarHBondContact O-N 3.1Å; F197-L232 VanDerWaalsContact CA-O 3.3Å; F197-L232 WeakPolarHBondContact CA-O 3.21Å; F197-L232 HydrophobicContact CD1-CB 3.82Å; F197-L232 HydrophobicContact CD1-CD1 4.27Å; F197-L232 HydrophobicContact CE1-CB 4.03Å; F197-L232 HydrophobicContact CE1-CD1 3.61Å; F197-L232 HydrophobicContact CE1-CG 4.45Å; F197-L232 HydrophobicContact CZ-CD1 4.06Å; F197-L234 HydrophobicContact CD1-CB 4.42Å; F197-I259 HydrophobicContact CD1-CG2 4.08Å; F197-I259 HydrophobicContact CE1-CD1 4.46Å; F197-I259 HydrophobicContact CE1-CG2 4.01Å; F197-L530 HydrophobicContact CD2-CD2 3.88Å; F197-L530 HydrophobicContact CE1-CD2 4.3Å; F197-L530 HydrophobicContact CE2-CD2 3.32Å; F197-L530 HydrophobicContact CZ-CD2 3.55Å; F197-V533 HydrophobicContact CE1-CG1 4.43Å; F197-V533 HydrophobicContact CZ-CB 4.32Å; F197-V533 HydrophobicContact CZ-CG1 3.99Å
198	C	90.2	Very high	74.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	161.7	165.9	64.9	0	0	0	0	110.2	T221 C224 L232 K233 L234	C198-T221 WeakPolarHBondContact CA-O 3.43Å; C198-T221 HydrophobicContact CB-CG2 3.81Å; C198-C224 HydrophobicContact CB-CB 3.91Å; C198-C224 WeakPolarHBondContact CB-SG 3.23Å; C198-C224 WeakPolarHBondContact SG-CA 3.39Å; C198-C224 WeakPolarHBondContact SG-CB 3.21Å; C198-C224 CovalentContact SG-SG 2.02Å; C198-C224 PolarHBondContact SG-SG 3.41Å; C198-L232 PolarHBondContact N-O 3.39Å; C198-K233 WeakPolarHBondContact O-CA 3.31Å; C198-L234 PolarHBondContact O-N 2.89Å
199	T	85.1	Confident	73.8	Confident	4 Å²	4	51.7 Å²	51.7	3%	0.025	26%	0.256	C	S	.	.			trans	-142.7	134.8	168.2	-163.9	0	0	0	0	110.2	Y202 F220 L234	T199-Y202 HydrophobicContact CG2-CE1 4.26Å; T199-F220 HydrophobicContact CG2-CE2 3.65Å; T199-F220 HydrophobicContact CG2-CZ 4.12Å; T199-L234 WeakPolarHBondContact CB-O 3.22Å; T199-L234 PolarHBondContact OG1-O 3.16Å
200	D	73.5	Confident	73.4	Confident	89 Å²	89	51.4 Å²	51.4	48%	0.476	25%	0.254	S	S	.	.			trans	-102	1.8	176.5	-58.2	-40.1	0	0	0	111.8	C224 K233	D200-C224 PolarHBondContact OD1-SG 3.32Å; D200-K233 VanDerWaalsContact OD2-CE 3.27Å; D200-K233 WeakPolarHBondContact OD2-CE 3.34Å; D200-K233 IonicContact OD2-NZ 3.61Å; D200-K233 PolarHBondContact OD2-NZ 2.81Å
201	Y	64.3	Low	73.3	Confident	47 Å²	47	48.9 Å²	48.9	18%	0.184	25%	0.245	C	C	.	.			trans	-130.8	121.3	-164.9	-175.5	-97	0	0	0	112.9	G203 F236 E239	Y201-G203 VanDerWaalsContact CE1-N 3.35Å; Y201-G203 VanDerWaalsContact CE1-O 3.31Å; Y201-G203 WeakPolarHBondContact CE1-O 3.25Å; Y201-G203 PolarHBondContact OH-O 3.2Å; Y201-F236 HydrophobicContact CD1-CD2 4.41Å; Y201-E239 PolarHBondContact OH-OE2 3.09Å
202	Y	60.9	Low	73.6	Confident	124 Å²	124	50.3 Å²	50.3	49%	0.486	25%	0.251	S	S	.	.			trans	-117.7	52.4	178.4	-56.8	-74.1	0	0	0	110.8	T199 D211	T199-Y202 HydrophobicContact CG2-CE1 4.26Å; Y202-D211 HydrophobicContact CD1-CB 4.36Å
203	G	54.2	Low	73.9	Confident	22 Å²	22	51.5 Å²	51.5	23%	0.227	26%	0.257	C	S	.	.			trans	-112.2	91.7	-171.2	0	0	0	0	0	114.2	Y201 T207	Y201-G203 VanDerWaalsContact CE1-N 3.35Å; Y201-G203 VanDerWaalsContact CE1-O 3.31Å; Y201-G203 WeakPolarHBondContact CE1-O 3.25Å; Y201-G203 PolarHBondContact OH-O 3.2Å; G203-T207 PolarHBondContact O-OG1 2.87Å
204	S	58.9	Low	74.1	Confident	61 Å²	61	46.7 Å²	46.7	43%	0.427	24%	0.24	S	C	.	.	S	Bend	trans	141.5	157.1	156.4	72.1	0	0	0	0	113.2	N206 T207 I208	S204-N206 VanDerWaalsContact C-N 3.29Å; S204-N206 PolarHBondContact O-N 3.39Å; S204-T207 PolarHBondContact N-OG1 3.01Å; S204-T207 PolarHBondContact O-N 3.41Å; S204-T207 PolarHBondContact O-OG1 2.99Å; S204-T207 WeakPolarHBondContact OG-CG2 3.5Å; S204-T207 PolarHBondContact OG-N 2.84Å; S204-T207 PolarHBondContact OG-OG1 2.68Å; S204-I208 WeakPolarHBondContact O-CG1 3.36Å; S204-I208 PolarHBondContact O-N 2.76Å
205	N	56.7	Low	74	Confident	143 Å²	143	50 Å²	50	77%	0.765	26%	0.255	S	S	*	.	H	α-helix	trans	-60.8	-33.3	177.9	-83	-10.3	0	0	0	114.4
206	N	60.1	Low	73.8	Confident	87 Å²	87	54.4 Å²	54.4	47%	0.465	29%	0.286	S	S	.	.	H	α-helix	trans	-74.5	-37.6	177.9	-80.5	-18.3	0	0	0	111.3	S204 S209	S204-N206 VanDerWaalsContact C-N 3.29Å; S204-N206 PolarHBondContact O-N 3.39Å; N206-S209 PolarHBondContact O-OG 3.39Å
207	T	59.8	Low	73.7	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.018	28%	0.281	C	S	.	.	H	α-helix	trans	-67.8	-39.3	177.2	59.4	0	0	0	0	111.4	G203 S204 S209 F210 D211 F236 F263	G203-T207 PolarHBondContact O-OG1 2.87Å; S204-T207 PolarHBondContact N-OG1 3.01Å; S204-T207 PolarHBondContact O-N 3.41Å; S204-T207 PolarHBondContact O-OG1 2.99Å; S204-T207 WeakPolarHBondContact OG-CG2 3.5Å; S204-T207 PolarHBondContact OG-N 2.84Å; S204-T207 PolarHBondContact OG-OG1 2.68Å; T207-S209 PolarHBondContact O-N 2.82Å; T207-F210 CarbonylContact O-C 3.51Å; T207-F210 WeakPolarHBondContact O-CA 3.26Å; T207-F210 WeakPolarHBondContact O-CB 3.25Å; T207-F210 PolarHBondContact O-N 2.84Å; T207-D211 VanDerWaalsContact C-OD2 3.24Å; T207-D211 PolarHBondContact O-N 3.13Å; T207-F236 HydrophobicContact CG2-CB 3.66Å; T207-F236 HydrophobicContact CG2-CD1 4.03Å; T207-F236 HydrophobicContact CG2-CD2 3.94Å; T207-F236 HydrophobicContact CG2-CG 3.61Å; T207-F263 HydrophobicContact CG2-CE2 4.06Å
208	I	59	Low	73.7	Confident	75 Å²	75	54.7 Å²	54.7	39%	0.385	30%	0.295	S	S	.	.	H	α-helix	trans	-50.2	-37.8	-180	-71.3	166.4	0	0	0	112.6	S204 D211 K212	S204-I208 WeakPolarHBondContact O-CG1 3.36Å; S204-I208 PolarHBondContact O-N 2.76Å; I208-D211 PolarHBondContact N-OD2 2.91Å; I208-K212 PolarHBondContact O-N 3.5Å
209	S	70.7	Confident	73.8	Confident	39 Å²	39	55.1 Å²	55.1	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-71	-36.4	178.1	70	0	0	0	0	113.5	N206 T207 K522	N206-S209 PolarHBondContact O-OG 3.39Å; T207-S209 PolarHBondContact O-N 2.82Å; S209-K522 PolarHBondContact OG-NZ 3.48Å
210	F	76.4	Confident	74.1	Confident	3 Å²	3	56.3 Å²	56.3	1%	0.013	30%	0.301	C	S	.	.	H	α-helix	trans	-76.8	-35.8	179.1	-153.5	-102.3	0	0	0	110.6	T207 K212 L213 L214 L234 F236 L261 F263 L526	T207-F210 CarbonylContact O-C 3.51Å; T207-F210 WeakPolarHBondContact O-CA 3.26Å; T207-F210 WeakPolarHBondContact O-CB 3.25Å; T207-F210 PolarHBondContact O-N 2.84Å; F210-K212 PolarHBondContact O-N 2.8Å; F210-L213 PolarHBondContact O-N 3.38Å; F210-L214 HydrophobicContact CD1-CD1 3.47Å; F210-L214 VanDerWaalsContact CD1-CD1 3.47Å; F210-L214 HydrophobicContact CD1-CG 4Å; F210-L214 HydrophobicContact CE1-CD1 3.89Å; F210-L214 HydrophobicContact CE1-CD2 4.45Å; F210-L214 HydrophobicContact CE1-CG 4.19Å; F210-L214 WeakPolarHBondContact O-CB 3.43Å; F210-L214 WeakPolarHBondContact O-CG 3.22Å; F210-L214 PolarHBondContact O-N 2.71Å; F210-L234 HydrophobicContact CE1-CD2 4.44Å; F210-F236 AromaticContact CD1-CE1 3.7Å; F210-F236 HydrophobicContact CD1-CE1 3.7Å; F210-F236 AromaticContact CD1-CZ 3.97Å; F210-F236 HydrophobicContact CD1-CZ 3.97Å; F210-F236 HydrophobicContact CE1-CE1 4.23Å; F210-L261 HydrophobicContact CD1-CD2 4.38Å; F210-L261 HydrophobicContact CE1-CD2 4.05Å; F210-L261 HydrophobicContact CZ-CD1 4.49Å; F210-L261 HydrophobicContact CZ-CD2 4.18Å; F210-F263 HydrophobicContact CB-CZ 4.16Å; F210-F263 HydrophobicContact CD2-CE1 4.33Å; F210-F263 HydrophobicContact CD2-CZ 4.28Å; F210-F263 HydrophobicContact CG-CZ 4.1Å; F210-L526 HydrophobicContact CD1-CD1 4.49Å; F210-L526 HydrophobicContact CE1-CD1 3.54Å; F210-L526 HydrophobicContact CE1-CG 4.5Å; F210-L526 HydrophobicContact CE2-CB 3.82Å; F210-L526 HydrophobicContact CE2-CD1 4.17Å; F210-L526 HydrophobicContact CE2-CG 4.44Å; F210-L526 HydrophobicContact CZ-CB 3.84Å; F210-L526 HydrophobicContact CZ-CD1 3.34Å; F210-L526 HydrophobicContact CZ-CG 4.07Å
211	D	75.5	Confident	74.7	Confident	7 Å²	7	53.3 Å²	53.3	4%	0.037	29%	0.286	C	S	.	.	H	α-helix	trans	-59.2	-45.4	176.4	-61	-23.5	0	0	0	111.2	Y202 T207 I208 L213 L214 Q215 F236	Y202-D211 HydrophobicContact CD1-CB 4.36Å; T207-D211 VanDerWaalsContact C-OD2 3.24Å; T207-D211 PolarHBondContact O-N 3.13Å; I208-D211 PolarHBondContact N-OD2 2.91Å; D211-L213 PolarHBondContact O-N 3.42Å; D211-L214 PolarHBondContact O-N 2.7Å; D211-Q215 WeakPolarHBondContact O-CB 3.24Å; D211-Q215 VanDerWaalsContact O-CG 3.24Å; D211-Q215 WeakPolarHBondContact O-CG 3.17Å; D211-Q215 PolarHBondContact O-N 3.16Å; D211-F236 WeakPolarHBondContact OD1-CE2 3.14Å
212	K	81.6	Confident	75.5	Confident	143 Å²	143	58.2 Å²	58.2	62%	0.622	31%	0.311	S	S	*	.	H	α-helix	trans	-61.9	-41.6	175.9	-72.1	-178.4	179.7	-174.9	0	112.6	I208 F210 Q215 S216	I208-K212 PolarHBondContact O-N 3.5Å; F210-K212 PolarHBondContact O-N 2.8Å; K212-Q215 PolarHBondContact O-N 3.38Å; K212-S216 PolarHBondContact O-N 3.1Å; K212-S216 VanDerWaalsContact O-N 3.15Å
213	L	84.8	Confident	76.5	Confident	46 Å²	46	60.4 Å²	60.4	24%	0.241	32%	0.318	C	S	.	.	H	α-helix	trans	-66.5	-41.7	177.5	-69.7	172.6	0	0	0	111.1	F210 D211 S216 S217 K522 L526	F210-L213 PolarHBondContact O-N 3.38Å; D211-L213 PolarHBondContact O-N 3.42Å; L213-S216 PolarHBondContact O-N 3.4Å; L213-S216 PolarHBondContact O-OG 3.05Å; L213-S217 PolarHBondContact O-N 3.33Å; L213-K522 HydrophobicContact CD1-CB 3.92Å; L213-L526 HydrophobicContact CB-CD2 3.69Å
214	L	84.1	Confident	77.9	Confident	4 Å²	4	60 Å²	60	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-47.1	174.2	-76.5	161.9	0	0	0	111.8	F210 D211 S216 S217 F220 L234 F236 L526	F210-L214 HydrophobicContact CD1-CD1 3.47Å; F210-L214 VanDerWaalsContact CD1-CD1 3.47Å; F210-L214 HydrophobicContact CD1-CG 4Å; F210-L214 HydrophobicContact CE1-CD1 3.89Å; F210-L214 HydrophobicContact CE1-CD2 4.45Å; F210-L214 HydrophobicContact CE1-CG 4.19Å; F210-L214 WeakPolarHBondContact O-CB 3.43Å; F210-L214 WeakPolarHBondContact O-CG 3.22Å; F210-L214 PolarHBondContact O-N 2.71Å; D211-L214 PolarHBondContact O-N 2.7Å; L214-S216 PolarHBondContact O-N 3.14Å; L214-S217 WeakPolarHBondContact O-CA 3.41Å; L214-S217 WeakPolarHBondContact O-CB 3.13Å; L214-S217 PolarHBondContact O-N 3.15Å; L214-F220 HydrophobicContact CB-CD2 4.45Å; L214-F220 WeakPolarHBondContact O-CB 2.69Å; L214-L234 HydrophobicContact CD1-CD2 3.34Å; L214-L234 HydrophobicContact CD2-CD2 3.73Å; L214-L234 HydrophobicContact CG-CD2 4.18Å; L214-F236 HydrophobicContact CD1-CZ 3.95Å; L214-L526 HydrophobicContact CD2-CD1 3.52Å; L214-L526 HydrophobicContact CD2-CD2 3.99Å; L214-L526 HydrophobicContact CD2-CG 4.38Å; L214-L526 HydrophobicContact CG-CD1 4.11Å; L214-L526 HydrophobicContact CG-CD2 3.94Å
215	Q	84.5	Confident	78.9	Confident	93 Å²	93	59.6 Å²	59.6	44%	0.435	31%	0.305	S	S	.	.	H	α-helix	trans	-59.4	-31.6	178.5	-75.7	172.6	-9	0	0	112.6	D211 K212 S217 F220	D211-Q215 WeakPolarHBondContact O-CB 3.24Å; D211-Q215 VanDerWaalsContact O-CG 3.24Å; D211-Q215 WeakPolarHBondContact O-CG 3.17Å; D211-Q215 PolarHBondContact O-N 3.16Å; K212-Q215 PolarHBondContact O-N 3.38Å; Q215-S217 VanDerWaalsContact C-N 3.3Å; Q215-F220 HydrophobicContact CB-CD1 4.37Å; Q215-F220 HydrophobicContact CB-CE1 4.38Å; Q215-F220 HydrophobicContact CG-CD1 4.13Å; Q215-F220 HydrophobicContact CG-CE1 3.69Å; Q215-F220 HydrophobicContact CG-CZ 3.96Å
216	S	86.8	Confident	79.7	Confident	93 Å²	93	57.5 Å²	57.5	65%	0.65	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-12.3	173.3	72	0	0	0	0	114.2	K212 L213 L214	K212-S216 PolarHBondContact O-N 3.1Å; K212-S216 VanDerWaalsContact O-N 3.15Å; L213-S216 PolarHBondContact O-N 3.4Å; L213-S216 PolarHBondContact O-OG 3.05Å; L214-S216 PolarHBondContact O-N 3.14Å
217	S	90.4	Very high	80.3	Confident	19 Å²	19	61.2 Å²	61.2	13%	0.133	31%	0.307	C	S	.	.	S	Bend	trans	-80.2	136.9	-178.3	-177.9	0	0	0	0	111	L213 L214 Q215 H219 F220	L213-S217 PolarHBondContact O-N 3.33Å; L214-S217 WeakPolarHBondContact O-CA 3.41Å; L214-S217 WeakPolarHBondContact O-CB 3.13Å; L214-S217 PolarHBondContact O-N 3.15Å; Q215-S217 VanDerWaalsContact C-N 3.3Å; S217-H219 PolarHBondContact O-N 3.46Å; S217-H219 VanDerWaalsContact O-N 3.08Å; S217-H219 PolarHBondContact OG-N 3.36Å; S217-F220 WeakPolarHBondContact O-CB 3.49Å; S217-F220 PolarHBondContact O-N 3.37Å
218	P	90	Very high	81.1	Confident	47 Å²	47	63.7 Å²	63.7	31%	0.305	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.5	172.5	30.4	-41.6	0	0	0	112.7	F194 K196 F220 P542 W620	F194-P218 HydrophobicContact CE2-CB 4.48Å; F194-P218 VanDerWaalsContact CE2-O 3.28Å; F194-P218 WeakPolarHBondContact CE2-O 3.41Å; K196-P218 PolarHBondContact NZ-O 3.38Å; P218-F220 PolarHBondContact O-N 2.78Å; P218-P542 HydrophobicContact CB-CB 3.86Å; P218-P542 HydrophobicContact CB-CG 4.25Å; P218-P542 HydrophobicContact CG-CB 3.67Å; P218-P542 HydrophobicContact CG-CG 3.5Å; P218-W620 HydrophobicContact CG-CH2 3.91Å; P218-W620 HydrophobicContact CG-CZ3 3.73Å
219	H	91.9	Very high	82.1	Confident	8 Å²	8	64 Å²	64	4%	0.037	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.8	176.7	-73	-79.5	0	0	0	113.2	L195 K196 F197 S217 L530 Q541 P542	L195-H219 PolarHBondContact O-ND1 3.04Å; K196-H219 CarbonylContact C-O 3.58Å; K196-H219 VanDerWaalsContact CA-O 3.26Å; K196-H219 WeakPolarHBondContact CA-O 3.27Å; F197-H219 HydrophobicContact CD2-CB 3.95Å; F197-H219 HydrophobicContact CE2-CB 4.32Å; F197-H219 PolarHBondContact N-O 2.97Å; S217-H219 PolarHBondContact O-N 3.46Å; S217-H219 VanDerWaalsContact O-N 3.08Å; S217-H219 PolarHBondContact OG-N 3.36Å; H219-L530 HydrophobicContact CB-CD1 4.32Å; H219-Q541 PolarHBondContact NE2-OE1 3.06Å; H219-P542 WeakPolarHBondContact CE1-CD 3.31Å; H219-P542 WeakPolarHBondContact NE2-CD 3.23Å
220	F	91.5	Very high	82.9	Confident	30 Å²	30	62.1 Å²	62.1	13%	0.132	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	151.8	-173.7	-177.3	-103.9	0	0	0	113.5	F197 T199 L214 Q215 S217 P218 E222	F197-F220 CarbonylContact O-C 3.29Å; F197-F220 WeakPolarHBondContact O-CA 3.34Å; T199-F220 HydrophobicContact CG2-CE2 3.65Å; T199-F220 HydrophobicContact CG2-CZ 4.12Å; L214-F220 HydrophobicContact CB-CD2 4.45Å; L214-F220 WeakPolarHBondContact O-CB 2.69Å; Q215-F220 HydrophobicContact CB-CD1 4.37Å; Q215-F220 HydrophobicContact CB-CE1 4.38Å; Q215-F220 HydrophobicContact CG-CD1 4.13Å; Q215-F220 HydrophobicContact CG-CE1 3.69Å; Q215-F220 HydrophobicContact CG-CZ 3.96Å; S217-F220 WeakPolarHBondContact O-CB 3.49Å; S217-F220 PolarHBondContact O-N 3.37Å; P218-F220 PolarHBondContact O-N 2.78Å; F220-E222 HydrophobicContact CE1-CG 4.34Å
221	T	87.5	Confident	83.6	Confident	26 Å²	26	62 Å²	62	16%	0.16	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	143.7	168.1	-167.1	0	0	0	0	110.1	F197 C198 R223 N228	F197-T221 PolarHBondContact O-N 3.1Å; C198-T221 WeakPolarHBondContact CA-O 3.43Å; C198-T221 HydrophobicContact CB-CG2 3.81Å; T221-R223 PolarHBondContact O-N 3.05Å; T221-N228 HydrophobicContact CG2-CB 4.15Å
222	E	79.7	Confident	84.4	Confident	149 Å²	149	61.6 Å²	61.6	70%	0.696	31%	0.307	S	S	*	.	S	Bend	trans	-69.4	-32.7	-166.2	-69.4	-175	173.3	0	0	115	F220	F220-E222 HydrophobicContact CE1-CG 4.34Å
223	R	81.9	Confident	84.9	Confident	171 Å²	171	55.5 Å²	55.5	65%	0.645	28%	0.28	S	S	*	.			trans	-130.1	146.6	-177.5	-55.8	-178.8	179.4	174.5	-1	111.8	T221 N225 N228	T221-R223 PolarHBondContact O-N 3.05Å; R223-N225 PolarHBondContact O-N 3.24Å; R223-N225 PolarHBondContact O-OD1 3.47Å; R223-N228 WeakPolarHBondContact CB-ND2 3.21Å; R223-N228 PolarHBondContact N-ND2 3.38Å; R223-N228 WeakPolarHBondContact O-CB 3.39Å; R223-N228 PolarHBondContact O-ND2 2.86Å
224	C	84.5	Confident	85.2	Confident	14 Å²	14	53.6 Å²	53.6	10%	0.095	27%	0.271	C	S	.	.			trans	-81.8	16.2	177	-65	0	0	0	0	115.1	R188 C198 D200 P256	R188-C224 PolarHBondContact NH2-O 2.82Å; C198-C224 HydrophobicContact CB-CB 3.91Å; C198-C224 WeakPolarHBondContact CB-SG 3.23Å; C198-C224 WeakPolarHBondContact SG-CA 3.39Å; C198-C224 WeakPolarHBondContact SG-CB 3.21Å; C198-C224 CovalentContact SG-SG 2.02Å; C198-C224 PolarHBondContact SG-SG 3.41Å; D200-C224 PolarHBondContact OD1-SG 3.32Å; C224-P256 HydrophobicContact CB-CG 4.27Å
225	N	79.7	Confident	85.4	Confident	52 Å²	52	53.7 Å²	53.7	28%	0.278	27%	0.271	S	S	.	.	S	Bend	trans	-70.3	164.1	178.8	62.7	-21	0	0	0	112	R188 R223 E227 N228	R188-N225 PolarHBondContact NH2-O 2.93Å; R223-N225 PolarHBondContact O-N 3.24Å; R223-N225 PolarHBondContact O-OD1 3.47Å; N225-E227 VanDerWaalsContact C-N 3.28Å; N225-E227 PolarHBondContact ND2-OE2 3.45Å; N225-E227 VanDerWaalsContact ND2-OE2 3.15Å; N225-E227 PolarHBondContact O-N 2.87Å; N225-N228 PolarHBondContact O-N 3.4Å; N225-N228 VanDerWaalsContact OD1-CB 3.23Å; N225-N228 WeakPolarHBondContact OD1-CB 3.15Å; N225-N228 PolarHBondContact OD1-ND2 3.12Å
226	I	72.7	Confident	85.6	Confident	99 Å²	99	49.6 Å²	49.6	51%	0.508	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-59.7	-39.7	-179.7	-65	167.3	0	0	0	111.2	N228 N229 N254	I226-N228 VanDerWaalsContact C-N 3.25Å; I226-N228 PolarHBondContact O-N 2.91Å; I226-N229 PolarHBondContact O-N 3.06Å; I226-N229 PolarHBondContact O-OD1 2.77Å; I226-N254 HydrophobicContact CD1-CB 4.21Å
227	E	73.4	Confident	85.7	Confident	164 Å²	164	45.5 Å²	45.5	77%	0.766	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-61.1	-30.2	-176.6	-60.4	170.3	166.2	0	0	113.8	N225 N229	N225-E227 VanDerWaalsContact C-N 3.28Å; N225-E227 PolarHBondContact ND2-OE2 3.45Å; N225-E227 VanDerWaalsContact ND2-OE2 3.15Å; N225-E227 PolarHBondContact O-N 2.87Å; E227-N229 VanDerWaalsContact C-N 3.3Å; E227-N229 PolarHBondContact O-N 3.29Å
228	N	76.9	Confident	85.7	Confident	55 Å²	55	46.1 Å²	46.1	29%	0.294	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-83.9	-1.2	-177.4	-78.7	-7.9	0	0	0	114.1	T221 R223 N225 I226 S230	T221-N228 HydrophobicContact CG2-CB 4.15Å; R223-N228 WeakPolarHBondContact CB-ND2 3.21Å; R223-N228 PolarHBondContact N-ND2 3.38Å; R223-N228 WeakPolarHBondContact O-CB 3.39Å; R223-N228 PolarHBondContact O-ND2 2.86Å; N225-N228 PolarHBondContact O-N 3.4Å; N225-N228 VanDerWaalsContact OD1-CB 3.23Å; N225-N228 WeakPolarHBondContact OD1-CB 3.15Å; N225-N228 PolarHBondContact OD1-ND2 3.12Å; I226-N228 VanDerWaalsContact C-N 3.25Å; I226-N228 PolarHBondContact O-N 2.91Å; N228-S230 PolarHBondContact O-N 3.48Å; N228-S230 VanDerWaalsContact O-N 3.15Å
229	N	79.1	Confident	85.6	Confident	81 Å²	81	49.1 Å²	49.1	43%	0.433	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	40.7	178.6	-64.9	-31.9	0	0	0	114	I192 I226 E227	I192-N229 HydrophobicContact CG2-CB 4.03Å; I192-N229 WeakPolarHBondContact CG2-O 3.38Å; I226-N229 PolarHBondContact O-N 3.06Å; I226-N229 PolarHBondContact O-OD1 2.77Å; E227-N229 VanDerWaalsContact C-N 3.3Å; E227-N229 PolarHBondContact O-N 3.29Å
230	S	88.3	Confident	85.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.237	C	C	.	.			trans	-74.6	124.5	172.6	58.5	0	0	0	0	110.6	R188 N228	R188-S230 PolarHBondContact NE-O 3.06Å; R188-S230 PolarHBondContact NH2-O 3.4Å; R188-S230 PolarHBondContact NH2-OG 3.48Å; N228-S230 PolarHBondContact O-N 3.48Å; N228-S230 VanDerWaalsContact O-N 3.15Å
231	C	90.1	Very high	85.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-82.9	-43.2	177	170.8	0	0	0	0	111.2	C189 I192 L195 K196 P256	C189-C231 HydrophobicContact CB-CB 3.81Å; C189-C231 WeakPolarHBondContact CB-SG 3.26Å; C189-C231 WeakPolarHBondContact SG-CB 3.09Å; C189-C231 CovalentContact SG-SG 2.04Å; C189-C231 PolarHBondContact SG-SG 2.68Å; I192-C231 HydrophobicContact CD1-CB 3.67Å; L195-C231 HydrophobicContact CD1-CB 3.92Å; K196-C231 PolarHBondContact O-N 2.79Å; C231-P256 WeakPolarHBondContact O-CB 3.32Å
232	L	92.9	Very high	85.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	149.7	179.7	-60.9	179.4	0	0	0	111.8	L195 K196 F197 C198 T257 I259 L285 V533 L537	L195-L232 HydrophobicContact CD1-CD1 4.12Å; L195-L232 HydrophobicContact CD1-CG 4.19Å; L195-L232 HydrophobicContact CD2-CD1 4.27Å; K196-L232 PolarHBondContact O-N 2.82Å; F197-L232 VanDerWaalsContact CA-O 3.3Å; F197-L232 WeakPolarHBondContact CA-O 3.21Å; F197-L232 HydrophobicContact CD1-CB 3.82Å; F197-L232 HydrophobicContact CD1-CD1 4.27Å; F197-L232 HydrophobicContact CE1-CB 4.03Å; F197-L232 HydrophobicContact CE1-CD1 3.61Å; F197-L232 HydrophobicContact CE1-CG 4.45Å; F197-L232 HydrophobicContact CZ-CD1 4.06Å; C198-L232 PolarHBondContact N-O 3.39Å; L232-T257 VanDerWaalsContact CA-O 3.32Å; L232-T257 WeakPolarHBondContact CA-O 3.37Å; L232-I259 HydrophobicContact CB-CG2 4.28Å; L232-L285 HydrophobicContact CD1-CD1 4.1Å; L232-L285 HydrophobicContact CD2-CD1 4.22Å; L232-V533 HydrophobicContact CD1-CG1 3.7Å; L232-L537 HydrophobicContact CD1-CD1 3.87Å; L232-L537 HydrophobicContact CD2-CD1 4.48Å; L232-L537 HydrophobicContact CG-CD1 4.38Å
233	K	91.5	Very high	85.6	Confident	14 Å²	14	46.6 Å²	46.6	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.4	171	172.1	175.5	173.6	178.6	0	109.7	C198 D200 T235 E247 P256 T257 C258 I259	C198-K233 WeakPolarHBondContact O-CA 3.31Å; D200-K233 VanDerWaalsContact OD2-CE 3.27Å; D200-K233 WeakPolarHBondContact OD2-CE 3.34Å; D200-K233 IonicContact OD2-NZ 3.61Å; D200-K233 PolarHBondContact OD2-NZ 2.81Å; K233-T235 HydrophobicContact CG-CG2 4.04Å; K233-E247 IonicContact NZ-OE1 3.39Å; K233-E247 PolarHBondContact NZ-OE1 2.86Å; K233-E247 IonicContact NZ-OE2 3.44Å; K233-E247 PolarHBondContact NZ-OE2 3.33Å; K233-P256 HydrophobicContact CB-CB 4.28Å; K233-P256 HydrophobicContact CB-CG 3.77Å; K233-T257 PolarHBondContact N-O 3.31Å; K233-C258 CarbonylContact O-C 3.57Å; K233-C258 WeakPolarHBondContact O-CA 3.45Å; K233-I259 PolarHBondContact O-N 3.34Å
234	L	91.3	Very high	85.9	Confident	7 Å²	7	38.6 Å²	38.6	4%	0.037	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.2	179.3	178.8	61.7	0	0	0	110.5	F197 C198 T199 F210 L214 F236 I259 L261	F197-L234 HydrophobicContact CD1-CB 4.42Å; C198-L234 PolarHBondContact O-N 2.89Å; T199-L234 WeakPolarHBondContact CB-O 3.22Å; T199-L234 PolarHBondContact OG1-O 3.16Å; F210-L234 HydrophobicContact CE1-CD2 4.44Å; L214-L234 HydrophobicContact CD1-CD2 3.34Å; L214-L234 HydrophobicContact CD2-CD2 3.73Å; L214-L234 HydrophobicContact CG-CD2 4.18Å; L234-F236 HydrophobicContact CD2-CE1 4.41Å; L234-F236 HydrophobicContact CD2-CZ 3.97Å; L234-F236 HydrophobicContact CG-CE1 4.35Å; L234-F236 HydrophobicContact CG-CE2 4.43Å; L234-F236 HydrophobicContact CG-CZ 3.96Å; L234-I259 WeakPolarHBondContact CA-O 3.3Å; L234-I259 HydrophobicContact CB-CG2 4.04Å; L234-I259 HydrophobicContact CD1-CG2 3.85Å; L234-L261 HydrophobicContact CD1-CB 4.2Å
235	T	89.5	Confident	86	Confident	5 Å²	5	38 Å²	38	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	169.2	175.2	72.2	0	0	0	0	110.8	K233 G240 C244 I259 V260 L261	K233-T235 HydrophobicContact CG-CG2 4.04Å; T235-G240 PolarHBondContact OG1-O 2.91Å; T235-C244 PolarHBondContact OG1-SG 3.03Å; T235-I259 PolarHBondContact N-O 2.86Å; T235-V260 WeakPolarHBondContact O-CA 3.37Å; T235-V260 WeakPolarHBondContact OG1-CG2 3.17Å; T235-L261 PolarHBondContact O-N 3Å
236	F	88.8	Confident	86.2	Confident	7 Å²	7	41.2 Å²	41.2	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	139	-171.1	-55.9	-84.1	0	0	0	112.1	Y201 T207 F210 D211 L214 L234 G240 L261 F263	Y201-F236 HydrophobicContact CD1-CD2 4.41Å; T207-F236 HydrophobicContact CG2-CB 3.66Å; T207-F236 HydrophobicContact CG2-CD1 4.03Å; T207-F236 HydrophobicContact CG2-CD2 3.94Å; T207-F236 HydrophobicContact CG2-CG 3.61Å; F210-F236 AromaticContact CD1-CE1 3.7Å; F210-F236 HydrophobicContact CD1-CE1 3.7Å; F210-F236 AromaticContact CD1-CZ 3.97Å; F210-F236 HydrophobicContact CD1-CZ 3.97Å; F210-F236 HydrophobicContact CE1-CE1 4.23Å; D211-F236 WeakPolarHBondContact OD1-CE2 3.14Å; L214-F236 HydrophobicContact CD1-CZ 3.95Å; L234-F236 HydrophobicContact CD2-CE1 4.41Å; L234-F236 HydrophobicContact CD2-CZ 3.97Å; L234-F236 HydrophobicContact CG-CE1 4.35Å; L234-F236 HydrophobicContact CG-CE2 4.43Å; L234-F236 HydrophobicContact CG-CZ 3.96Å; F236-G240 WeakPolarHBondContact O-CA 3.44Å; F236-G240 PolarHBondContact O-N 2.95Å; F236-G240 VanDerWaalsContact O-N 3.16Å; F236-L261 WeakPolarHBondContact CA-O 3.49Å; F236-L261 HydrophobicContact CD1-CB 3.89Å; F236-L261 HydrophobicContact CD1-CD2 3.87Å; F236-L261 HydrophobicContact CE1-CB 4.18Å; F236-L261 HydrophobicContact CE1-CD2 3.81Å; F236-F263 AromaticContact CD1-CE2 3.78Å; F236-F263 HydrophobicContact CD1-CE2 3.78Å; F236-F263 HydrophobicContact CD1-CZ 4.2Å; F236-F263 HydrophobicContact CE1-CE2 4.29Å; F236-F263 HydrophobicContact CE1-CZ 4.28Å
237	G	88.6	Confident	86.5	Confident	8 Å²	8	38.7 Å²	38.7	8%	0.082	19%	0.189	C	C	.	.	H	α-helix	trans	62.5	-162.9	169.8	0	0	0	0	0	115.3	G240 A241 L261	G237-G240 PolarHBondContact O-N 3.38Å; G237-A241 PolarHBondContact O-N 3.05Å; G237-L261 PolarHBondContact N-O 2.98Å
238	V	89.6	Confident	86.4	Confident	32 Å²	32	33 Å²	33	19%	0.194	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-44.7	-175.4	-178.8	0	0	0	0	111.9	A241 Q242 E267 I271	V238-A241 WeakPolarHBondContact O-CB 3.31Å; V238-A241 PolarHBondContact O-N 3.1Å; V238-Q242 WeakPolarHBondContact O-CG 3.48Å; V238-Q242 PolarHBondContact O-N 2.93Å; V238-E267 HydrophobicContact CG2-CB 3.73Å; V238-E267 HydrophobicContact CG2-CG 4.03Å; V238-I271 HydrophobicContact CB-CD1 4.34Å; V238-I271 HydrophobicContact CG1-CD1 3.68Å; V238-I271 HydrophobicContact CG1-CG1 4.35Å
239	E	87.4	Confident	86	Confident	110 Å²	110	36.7 Å²	36.7	51%	0.514	18%	0.183	S	C	.	.	H	α-helix	trans	-63.6	-43.2	179.4	-66.5	-179.3	-169.2	0	0	111.7	Y201 A241 Q242 K243	Y201-E239 PolarHBondContact OH-OE2 3.09Å; E239-A241 VanDerWaalsContact C-N 3.33Å; E239-A241 PolarHBondContact O-N 2.87Å; E239-Q242 PolarHBondContact O-N 2.78Å; E239-K243 WeakPolarHBondContact O-CG 3.41Å; E239-K243 PolarHBondContact O-N 3.19Å; E239-K243 VanDerWaalsContact O-N 3.16Å
240	G	87.8	Confident	85.1	Confident	2 Å²	2	38.1 Å²	38.1	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-41.9	175	0	0	0	0	0	112.1	T235 F236 G237 C244	T235-G240 PolarHBondContact OG1-O 2.91Å; F236-G240 WeakPolarHBondContact O-CA 3.44Å; F236-G240 PolarHBondContact O-N 2.95Å; F236-G240 VanDerWaalsContact O-N 3.16Å; G237-G240 PolarHBondContact O-N 3.38Å; G240-C244 PolarHBondContact O-N 3.29Å; G240-C244 VanDerWaalsContact O-N 3.12Å; G240-C244 PolarHBondContact O-SG 2.9Å
241	A	89.9	Confident	83.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-44.8	175.9	0	0	0	0	0	112.6	G237 V238 E239 K243 C244 I245 V260 F262 I271	G237-A241 PolarHBondContact O-N 3.05Å; V238-A241 WeakPolarHBondContact O-CB 3.31Å; V238-A241 PolarHBondContact O-N 3.1Å; E239-A241 VanDerWaalsContact C-N 3.33Å; E239-A241 PolarHBondContact O-N 2.87Å; A241-K243 PolarHBondContact O-N 3.45Å; A241-C244 PolarHBondContact O-N 2.83Å; A241-I245 VanDerWaalsContact O-CG1 3.3Å; A241-I245 WeakPolarHBondContact O-CG1 3.28Å; A241-I245 PolarHBondContact O-N 2.95Å; A241-V260 HydrophobicContact CB-CG1 4.1Å; A241-F262 HydrophobicContact CB-CZ 3.83Å; A241-I271 HydrophobicContact CB-CD1 3.82Å; A241-I271 HydrophobicContact CB-CG1 4.03Å
242	Q	88.3	Confident	82.3	Confident	65 Å²	65	46.9 Å²	46.9	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-60.1	-45.4	179.8	-74.6	177.2	-5.4	0	0	111.8	V238 E239 C244 I245 E246 I271	V238-Q242 WeakPolarHBondContact O-CG 3.48Å; V238-Q242 PolarHBondContact O-N 2.93Å; E239-Q242 PolarHBondContact O-N 2.78Å; Q242-C244 VanDerWaalsContact C-N 3.32Å; Q242-C244 PolarHBondContact O-N 3.34Å; Q242-I245 WeakPolarHBondContact O-CB 3.14Å; Q242-I245 PolarHBondContact O-N 3.29Å; Q242-E246 WeakPolarHBondContact O-CG 3.25Å; Q242-E246 PolarHBondContact O-N 3.37Å; Q242-I271 HydrophobicContact CG-CD1 4.34Å
243	K	85.9	Confident	81	Confident	92 Å²	92	49.7 Å²	49.7	40%	0.4	26%	0.263	S	S	.	.	H	α-helix	trans	-60.1	-42	174.6	-70.4	178.5	-179.7	177.7	0	112.3	E239 A241 I245 E246 E247	E239-K243 WeakPolarHBondContact O-CG 3.41Å; E239-K243 PolarHBondContact O-N 3.19Å; E239-K243 VanDerWaalsContact O-N 3.16Å; A241-K243 PolarHBondContact O-N 3.45Å; K243-I245 VanDerWaalsContact C-N 3.3Å; K243-I245 PolarHBondContact O-N 3.35Å; K243-E246 PolarHBondContact O-N 3.13Å; K243-E247 WeakPolarHBondContact O-CB 3.21Å; K243-E247 WeakPolarHBondContact O-CG 3.33Å; K243-E247 PolarHBondContact O-N 2.86Å
244	C	88.1	Confident	80.2	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.02	28%	0.282	C	S	.	.	H	α-helix	trans	-66.5	-32.3	178	-70.2	0	0	0	0	113	T235 G240 A241 Q242 S248 C258 V260 F284	T235-C244 PolarHBondContact OG1-SG 3.03Å; G240-C244 PolarHBondContact O-N 3.29Å; G240-C244 VanDerWaalsContact O-N 3.12Å; G240-C244 PolarHBondContact O-SG 2.9Å; A241-C244 PolarHBondContact O-N 2.83Å; Q242-C244 VanDerWaalsContact C-N 3.32Å; Q242-C244 PolarHBondContact O-N 3.34Å; C244-S248 VanDerWaalsContact O-CB 3.28Å; C244-S248 WeakPolarHBondContact O-CB 3.35Å; C244-S248 PolarHBondContact O-N 3Å; C244-S248 PolarHBondContact O-OG 2.77Å; C244-C258 HydrophobicContact CB-CB 3.51Å; C244-C258 WeakPolarHBondContact CB-SG 3.23Å; C244-C258 WeakPolarHBondContact SG-CB 3.19Å; C244-C258 CovalentContact SG-SG 2.03Å; C244-C258 PolarHBondContact SG-SG 3.44Å; C244-V260 HydrophobicContact CB-CG2 4.33Å; C244-F284 HydrophobicContact CB-CD1 4.1Å; C244-F284 HydrophobicContact CB-CE1 4.18Å; C244-F284 HydrophobicContact CB-CG 4.29Å; C244-F284 HydrophobicContact CB-CZ 4.4Å
245	I	86	Confident	79.7	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.015	30%	0.296	C	S	.	.	H	α-helix	trans	-66.5	-50.9	172.7	-65.7	163.7	0	0	0	109.6	A241 Q242 K243 E247 S248 E249 Y275 L282 F284	A241-I245 VanDerWaalsContact O-CG1 3.3Å; A241-I245 WeakPolarHBondContact O-CG1 3.28Å; A241-I245 PolarHBondContact O-N 2.95Å; Q242-I245 WeakPolarHBondContact O-CB 3.14Å; Q242-I245 PolarHBondContact O-N 3.29Å; K243-I245 VanDerWaalsContact C-N 3.3Å; K243-I245 PolarHBondContact O-N 3.35Å; I245-E247 VanDerWaalsContact C-N 3.33Å; I245-E247 PolarHBondContact O-N 3.08Å; I245-S248 PolarHBondContact O-N 2.86Å; I245-S248 VanDerWaalsContact O-N 3.07Å; I245-S248 PolarHBondContact O-OG 2.78Å; I245-E249 PolarHBondContact O-N 2.81Å; I245-E249 VanDerWaalsContact O-N 3.14Å; I245-Y275 HydrophobicContact CD1-CE2 3.65Å; I245-L282 HydrophobicContact CD1-CD2 4Å; I245-L282 HydrophobicContact CG1-CD2 4.28Å; I245-F284 HydrophobicContact CD1-CE1 4.5Å; I245-F284 HydrophobicContact CD1-CZ 4.3Å; I245-F284 HydrophobicContact CG1-CE1 3.5Å; I245-F284 VanDerWaalsContact CG1-CE1 3.5Å; I245-F284 HydrophobicContact CG1-CZ 3.73Å
246	E	83.7	Confident	79.6	Confident	119 Å²	119	55.8 Å²	55.8	56%	0.556	30%	0.296	S	S	*	.	H	α-helix	trans	-57.8	-43.4	177.3	-68.7	168.3	-170.9	0	0	112.1	Q242 K243 S248 E249 L250	Q242-E246 WeakPolarHBondContact O-CG 3.25Å; Q242-E246 PolarHBondContact O-N 3.37Å; K243-E246 PolarHBondContact O-N 3.13Å; E246-S248 VanDerWaalsContact C-N 3.32Å; E246-S248 PolarHBondContact O-N 3.22Å; E246-E249 PolarHBondContact O-N 2.69Å; E246-L250 PolarHBondContact O-N 2.81Å
247	E	79.3	Confident	79.7	Confident	46 Å²	46	56 Å²	56	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-67.5	-30.4	176.4	-75.3	176.8	-159.7	0	0	112.8	K233 K243 I245 L250 L255	K233-E247 IonicContact NZ-OE1 3.39Å; K233-E247 PolarHBondContact NZ-OE1 2.86Å; K233-E247 IonicContact NZ-OE2 3.44Å; K233-E247 PolarHBondContact NZ-OE2 3.33Å; K243-E247 WeakPolarHBondContact O-CB 3.21Å; K243-E247 WeakPolarHBondContact O-CG 3.33Å; K243-E247 PolarHBondContact O-N 2.86Å; I245-E247 VanDerWaalsContact C-N 3.33Å; I245-E247 PolarHBondContact O-N 3.08Å; E247-L250 PolarHBondContact O-N 3.38Å; E247-L250 VanDerWaalsContact O-O 3.1Å; E247-L255 HydrophobicContact CB-CD1 4.26Å; E247-L255 HydrophobicContact CG-CD1 4.25Å
248	S	72	Confident	79.8	Confident	44 Å²	44	56 Å²	56	31%	0.308	30%	0.297	S	S	.	.	H	α-helix	trans	-75.3	-25.2	177.2	73.5	0	0	0	0	113.4	C244 I245 E246	C244-S248 VanDerWaalsContact O-CB 3.28Å; C244-S248 WeakPolarHBondContact O-CB 3.35Å; C244-S248 PolarHBondContact O-N 3Å; C244-S248 PolarHBondContact O-OG 2.77Å; I245-S248 PolarHBondContact O-N 2.86Å; I245-S248 VanDerWaalsContact O-N 3.07Å; I245-S248 PolarHBondContact O-OG 2.78Å; E246-S248 VanDerWaalsContact C-N 3.32Å; E246-S248 PolarHBondContact O-N 3.22Å
249	E	68.8	Low	80	Confident	132 Å²	132	54.6 Å²	54.6	62%	0.617	29%	0.288	S	S	*	.	H	α-helix	trans	-77.6	-27.1	174.3	-68.9	179.8	-177.5	0	0	111.8	I245 E246 T251	I245-E249 PolarHBondContact O-N 2.81Å; I245-E249 VanDerWaalsContact O-N 3.14Å; E246-E249 PolarHBondContact O-N 2.69Å; E249-T251 PolarHBondContact O-N 3.45Å
250	L	60.2	Low	80.3	Confident	112 Å²	112	49.3 Å²	49.3	59%	0.586	26%	0.264	S	S	*	.	S	Bend	trans	-72	111.5	168.2	-67.5	154.8	0	0	0	107.9	E246 E247 S252	E246-L250 PolarHBondContact O-N 2.81Å; E247-L250 PolarHBondContact O-N 3.38Å; E247-L250 VanDerWaalsContact O-O 3.1Å; L250-S252 PolarHBondContact O-N 3.02Å
251	T	55.3	Low	80.5	Confident	127 Å²	127	49.2 Å²	49.2	78%	0.779	26%	0.263	S	S	*	.			trans	-66.3	27.3	-179.7	49.8	0	0	0	0	114.8	E249 T253	E249-T251 PolarHBondContact O-N 3.45Å; T251-T253 PolarHBondContact O-N 2.95Å; T251-T253 VanDerWaalsContact O-N 3.14Å
252	S	62.5	Low	80.6	Confident	56 Å²	56	49.2 Å²	49.2	39%	0.392	26%	0.263	S	S	.	.			trans	-71.3	105.4	177.8	-179.2	0	0	0	0	110.5	L250 N254 L255	L250-S252 PolarHBondContact O-N 3.02Å; S252-N254 PolarHBondContact O-N 3.31Å; S252-N254 PolarHBondContact OG-N 2.75Å; S252-L255 PolarHBondContact O-N 2.88Å
253	T	66.1	Low	80.4	Confident	59 Å²	59	48.3 Å²	48.3	36%	0.362	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-5.8	169.9	53.1	0	0	0	0	113.3	N185 T251	N185-T253 PolarHBondContact ND2-O 3.18Å; T251-T253 PolarHBondContact O-N 2.95Å; T251-T253 VanDerWaalsContact O-N 3.14Å
254	N	74.4	Confident	80.4	Confident	87 Å²	87	45.4 Å²	45.4	47%	0.465	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-8.6	-174.6	-71.8	-12.6	0	0	0	114.2	R188 I226 S252	R188-N254 WeakPolarHBondContact CD-O 3.41Å; R188-N254 PolarHBondContact NH1-O 2.72Å; I226-N254 HydrophobicContact CD1-CB 4.21Å; S252-N254 PolarHBondContact O-N 3.31Å; S252-N254 PolarHBondContact OG-N 2.75Å
255	L	82	Confident	80.4	Confident	62 Å²	62	45.2 Å²	45.2	33%	0.325	25%	0.245	S	C	.	.	S	Bend	trans	-92	137.7	-179	-70.4	171.5	0	0	0	111.9	N185 E247 S252	N185-L255 PolarHBondContact ND2-O 2.81Å; E247-L255 HydrophobicContact CB-CD1 4.26Å; E247-L255 HydrophobicContact CG-CD1 4.25Å; S252-L255 PolarHBondContact O-N 2.88Å
256	P	87.8	Confident	80.5	Confident	5 Å²	5	48 Å²	48	3%	0.032	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-64.2	147.1	173.2	28.5	-35.8	0	0	0	111.2	C224 C231 K233 C258	C224-P256 HydrophobicContact CB-CG 4.27Å; C231-P256 WeakPolarHBondContact O-CB 3.32Å; K233-P256 HydrophobicContact CB-CB 4.28Å; K233-P256 HydrophobicContact CB-CG 3.77Å; P256-C258 PolarHBondContact O-N 3.46Å
257	T	90	Very high	80.8	Confident	13 Å²	13	45.3 Å²	45.3	8%	0.08	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	135.6	176.4	-60.8	0	0	0	0	110.4	I184 N185 L232 K233	I184-T257 HydrophobicContact CD1-CG2 3.93Å; N185-T257 PolarHBondContact N-OG1 3.5Å; L232-T257 VanDerWaalsContact CA-O 3.32Å; L232-T257 WeakPolarHBondContact CA-O 3.37Å; K233-T257 PolarHBondContact N-O 3.31Å
258	C	91.8	Very high	81.4	Confident	8 Å²	8	43.1 Å²	43.1	5%	0.054	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	147.2	176.5	-81.6	0	0	0	0	112.9	K233 C244 P256 V260 F284 L285	K233-C258 CarbonylContact O-C 3.57Å; K233-C258 WeakPolarHBondContact O-CA 3.45Å; C244-C258 HydrophobicContact CB-CB 3.51Å; C244-C258 WeakPolarHBondContact CB-SG 3.23Å; C244-C258 WeakPolarHBondContact SG-CB 3.19Å; C244-C258 CovalentContact SG-SG 2.03Å; C244-C258 PolarHBondContact SG-SG 3.44Å; P256-C258 PolarHBondContact O-N 3.46Å; C258-V260 HydrophobicContact CB-CG2 4.45Å; C258-F284 HydrophobicContact CB-CB 3.7Å; C258-F284 HydrophobicContact CB-CG 4.21Å; C258-F284 WeakPolarHBondContact O-CB 3.48Å; C258-L285 PolarHBondContact O-N 2.75Å
259	I	93.4	Very high	82.2	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.3	159.7	-178.3	168.2	0	0	0	107.5	F197 L232 K233 L234 T235 L285 V287 V533	F197-I259 HydrophobicContact CD1-CG2 4.08Å; F197-I259 HydrophobicContact CE1-CD1 4.46Å; F197-I259 HydrophobicContact CE1-CG2 4.01Å; L232-I259 HydrophobicContact CB-CG2 4.28Å; K233-I259 PolarHBondContact O-N 3.34Å; L234-I259 WeakPolarHBondContact CA-O 3.3Å; L234-I259 HydrophobicContact CB-CG2 4.04Å; L234-I259 HydrophobicContact CD1-CG2 3.85Å; T235-I259 PolarHBondContact N-O 2.86Å; I259-L285 CarbonylContact C-O 3.47Å; I259-L285 WeakPolarHBondContact CA-O 3.24Å; I259-L285 HydrophobicContact CB-CB 3.98Å; I259-L285 HydrophobicContact CB-CD1 4.34Å; I259-L285 HydrophobicContact CD1-CB 4.27Å; I259-L285 HydrophobicContact CD1-CD1 4.25Å; I259-L285 HydrophobicContact CG1-CB 3.82Å; I259-L285 HydrophobicContact CG1-CD1 4.49Å; I259-V287 HydrophobicContact CD1-CG2 3.7Å; I259-V287 HydrophobicContact CG1-CG2 3.62Å; I259-V533 HydrophobicContact CD1-CG1 4.45Å; I259-V533 HydrophobicContact CD1-CG2 3.85Å
260	V	93	Very high	83.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.7	-173.2	-168.1	0	0	0	0	109.9	T235 A241 C244 C258 F262 F284 L285 L286 V287	T235-V260 WeakPolarHBondContact O-CA 3.37Å; T235-V260 WeakPolarHBondContact OG1-CG2 3.17Å; A241-V260 HydrophobicContact CB-CG1 4.1Å; C244-V260 HydrophobicContact CB-CG2 4.33Å; C258-V260 HydrophobicContact CB-CG2 4.45Å; V260-F262 HydrophobicContact CB-CE2 3.89Å; V260-F262 HydrophobicContact CG1-CD2 4.15Å; V260-F262 HydrophobicContact CG1-CE2 3.47Å; V260-F262 VanDerWaalsContact CG1-CE2 3.47Å; V260-F262 HydrophobicContact CG1-CZ 3.74Å; V260-F284 HydrophobicContact CB-CD2 4.43Å; V260-F284 HydrophobicContact CB-CE2 4.34Å; V260-F284 HydrophobicContact CG2-CD2 3.49Å; V260-F284 VanDerWaalsContact CG2-CD2 3.49Å; V260-F284 HydrophobicContact CG2-CE2 3.52Å; V260-F284 HydrophobicContact CG2-CG 4.47Å; V260-L285 PolarHBondContact N-O 3.02Å; V260-L286 HydrophobicContact CB-CD2 4.46Å; V260-V287 PolarHBondContact O-N 2.91Å
261	L	92.2	Very high	84.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.8	-179.8	-167	106	0	0	0	111.1	F210 L234 T235 F236 G237 F263 V287 L304 L529	F210-L261 HydrophobicContact CD1-CD2 4.38Å; F210-L261 HydrophobicContact CE1-CD2 4.05Å; F210-L261 HydrophobicContact CZ-CD1 4.49Å; F210-L261 HydrophobicContact CZ-CD2 4.18Å; L234-L261 HydrophobicContact CD1-CB 4.2Å; T235-L261 PolarHBondContact O-N 3Å; F236-L261 WeakPolarHBondContact CA-O 3.49Å; F236-L261 HydrophobicContact CD1-CB 3.89Å; F236-L261 HydrophobicContact CD1-CD2 3.87Å; F236-L261 HydrophobicContact CE1-CB 4.18Å; F236-L261 HydrophobicContact CE1-CD2 3.81Å; G237-L261 PolarHBondContact N-O 2.98Å; L261-F263 HydrophobicContact CD2-CD1 4.01Å; L261-F263 HydrophobicContact CD2-CD2 4.34Å; L261-F263 HydrophobicContact CD2-CE1 3.32Å; L261-F263 HydrophobicContact CD2-CE2 3.72Å; L261-F263 HydrophobicContact CD2-CG 4.49Å; L261-F263 HydrophobicContact CD2-CZ 3.17Å; L261-V287 WeakPolarHBondContact CA-O 3.45Å; L261-V287 HydrophobicContact CD1-CB 3.88Å; L261-V287 HydrophobicContact CD1-CG1 3.6Å; L261-L304 HydrophobicContact CD1-CD1 3.87Å; L261-L304 HydrophobicContact CD1-CD2 4.2Å; L261-L304 HydrophobicContact CG-CD2 4.39Å; L261-L529 HydrophobicContact CD1-CD2 3.52Å
262	F	91.2	Very high	86.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.7	176.6	-64.7	-93.3	0	0	0	110.3	A241 V260 N264 E267 L268 I271 L286 V287 A288	A241-F262 HydrophobicContact CB-CZ 3.83Å; V260-F262 HydrophobicContact CB-CE2 3.89Å; V260-F262 HydrophobicContact CG1-CD2 4.15Å; V260-F262 HydrophobicContact CG1-CE2 3.47Å; V260-F262 VanDerWaalsContact CG1-CE2 3.47Å; V260-F262 HydrophobicContact CG1-CZ 3.74Å; F262-N264 VanDerWaalsContact C-N 3.26Å; F262-E267 HydrophobicContact CD1-CB 3.79Å; F262-E267 HydrophobicContact CE1-CB 4.32Å; F262-L268 HydrophobicContact CB-CB 4.36Å; F262-L268 HydrophobicContact CD1-CB 4.08Å; F262-L268 HydrophobicContact CD2-CB 4.34Å; F262-L268 HydrophobicContact CD2-CD1 3.96Å; F262-L268 HydrophobicContact CE1-CB 4.41Å; F262-L268 HydrophobicContact CE2-CD1 3.72Å; F262-L268 HydrophobicContact CG-CB 4.01Å; F262-L268 HydrophobicContact CG-CD1 4.46Å; F262-L268 HydrophobicContact CZ-CD1 3.99Å; F262-I271 HydrophobicContact CE1-CG1 4.19Å; F262-I271 HydrophobicContact CZ-CG1 4.21Å; F262-L286 HydrophobicContact CE2-CD2 3.77Å; F262-V287 PolarHBondContact N-O 2.97Å; F262-A288 HydrophobicContact CB-CB 4.05Å
263	F	84.3	Confident	87.6	Confident	46 Å²	46	33.5 Å²	33.5	20%	0.202	16%	0.163	C	C	.	.	S	Bend	trans	-83	-5.1	175.1	-62.9	-71.8	0	0	0	113.3	T207 F210 F236 L261 Y289 N406	T207-F263 HydrophobicContact CG2-CE2 4.06Å; F210-F263 HydrophobicContact CB-CZ 4.16Å; F210-F263 HydrophobicContact CD2-CE1 4.33Å; F210-F263 HydrophobicContact CD2-CZ 4.28Å; F210-F263 HydrophobicContact CG-CZ 4.1Å; F236-F263 AromaticContact CD1-CE2 3.78Å; F236-F263 HydrophobicContact CD1-CE2 3.78Å; F236-F263 HydrophobicContact CD1-CZ 4.2Å; F236-F263 HydrophobicContact CE1-CE2 4.29Å; F236-F263 HydrophobicContact CE1-CZ 4.28Å; L261-F263 HydrophobicContact CD2-CD1 4.01Å; L261-F263 HydrophobicContact CD2-CD2 4.34Å; L261-F263 HydrophobicContact CD2-CE1 3.32Å; L261-F263 HydrophobicContact CD2-CE2 3.72Å; L261-F263 HydrophobicContact CD2-CG 4.49Å; L261-F263 HydrophobicContact CD2-CZ 3.17Å; F263-Y289 WeakPolarHBondContact O-CE2 3.29Å; F263-N406 PolarHBondContact O-OD1 3.39Å
264	N	85.6	Confident	88.7	Confident	30 Å²	30	36.5 Å²	36.5	16%	0.16	17%	0.171	C	C	.	.	S	Bend	trans	-140.2	123	-177.8	177.7	2.8	0	0	0	109.2	F262 L266 E267 R405 N406	F262-N264 VanDerWaalsContact C-N 3.26Å; N264-L266 PolarHBondContact O-N 2.86Å; N264-L266 WeakPolarHBondContact OD1-CB 3.28Å; N264-L266 PolarHBondContact OD1-N 2.94Å; N264-E267 HydrophobicContact CB-CG 4.12Å; N264-E267 WeakPolarHBondContact O-CB 3.45Å; N264-E267 PolarHBondContact O-N 2.91Å; N264-E267 VanDerWaalsContact O-N 3.17Å; N264-R405 PolarHBondContact OD1-O 3.44Å; N264-N406 WeakPolarHBondContact CA-OD1 3.15Å
265	A	88	Confident	89	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.6	-25.4	-178.9	0	0	0	0	0	113.1	E267 L268 D269 N406 L408	A265-E267 VanDerWaalsContact C-N 3.32Å; A265-E267 PolarHBondContact O-N 2.89Å; A265-L268 PolarHBondContact O-N 3.49Å; A265-D269 WeakPolarHBondContact O-CB 3.44Å; A265-D269 PolarHBondContact O-N 3.4Å; A265-N406 VanDerWaalsContact CB-O 3.25Å; A265-N406 WeakPolarHBondContact CB-O 3.48Å; A265-N406 PolarHBondContact N-OD1 2.91Å; A265-L408 HydrophobicContact CB-CD1 3.86Å; A265-L408 HydrophobicContact CB-CD2 4.26Å; A265-L408 HydrophobicContact CB-CG 3.82Å
266	L	88.8	Confident	89.1	Confident	62 Å²	62	38.8 Å²	38.8	33%	0.325	18%	0.181	S	C	.	.	H	α-helix	trans	-65.5	-32.9	174.2	-68.4	176.5	0	0	0	113	N264 D269 Q270 R405	N264-L266 PolarHBondContact O-N 2.86Å; N264-L266 WeakPolarHBondContact OD1-CB 3.28Å; N264-L266 PolarHBondContact OD1-N 2.94Å; L266-D269 PolarHBondContact O-N 2.88Å; L266-Q270 VanDerWaalsContact O-CG 3.28Å; L266-Q270 WeakPolarHBondContact O-CG 3.26Å; L266-Q270 PolarHBondContact O-N 3.36Å; L266-R405 HydrophobicContact CD1-CB 4.09Å; L266-R405 HydrophobicContact CD1-CG 3.96Å; L266-R405 WeakPolarHBondContact CG-O 3.41Å; L266-R405 PolarHBondContact N-O 2.88Å
267	E	90.1	Very high	88.9	Confident	61 Å²	61	43.5 Å²	43.5	29%	0.285	20%	0.198	S	C	.	.	H	α-helix	trans	-67.3	-40.3	176.9	-73.6	170.8	-161.3	0	0	111	V238 F262 N264 A265 Q270 I271	V238-E267 HydrophobicContact CG2-CB 3.73Å; V238-E267 HydrophobicContact CG2-CG 4.03Å; F262-E267 HydrophobicContact CD1-CB 3.79Å; F262-E267 HydrophobicContact CE1-CB 4.32Å; N264-E267 HydrophobicContact CB-CG 4.12Å; N264-E267 WeakPolarHBondContact O-CB 3.45Å; N264-E267 PolarHBondContact O-N 2.91Å; N264-E267 VanDerWaalsContact O-N 3.17Å; A265-E267 VanDerWaalsContact C-N 3.32Å; A265-E267 PolarHBondContact O-N 2.89Å; E267-Q270 WeakPolarHBondContact O-CB 3.23Å; E267-Q270 PolarHBondContact O-N 3.39Å; E267-I271 PolarHBondContact O-N 3.41Å
268	L	91.3	Very high	88.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.2	-44	173.7	178.9	62.9	0	0	0	111.1	F262 A265 Q270 I271 Y272 L286 A288 F291	F262-L268 HydrophobicContact CB-CB 4.36Å; F262-L268 HydrophobicContact CD1-CB 4.08Å; F262-L268 HydrophobicContact CD2-CB 4.34Å; F262-L268 HydrophobicContact CD2-CD1 3.96Å; F262-L268 HydrophobicContact CE1-CB 4.41Å; F262-L268 HydrophobicContact CE2-CD1 3.72Å; F262-L268 HydrophobicContact CG-CB 4.01Å; F262-L268 HydrophobicContact CG-CD1 4.46Å; F262-L268 HydrophobicContact CZ-CD1 3.99Å; A265-L268 PolarHBondContact O-N 3.49Å; L268-Q270 VanDerWaalsContact C-N 3.3Å; L268-Q270 PolarHBondContact O-N 3.43Å; L268-I271 WeakPolarHBondContact O-CB 3.38Å; L268-I271 PolarHBondContact O-N 2.62Å; L268-I271 VanDerWaalsContact O-N 3.15Å; L268-Y272 HydrophobicContact CD1-CD2 4.02Å; L268-Y272 HydrophobicContact CD1-CE2 3.57Å; L268-Y272 HydrophobicContact CD2-CE2 4.08Å; L268-Y272 HydrophobicContact CG-CD2 3.9Å; L268-Y272 HydrophobicContact CG-CE2 3.65Å; L268-Y272 WeakPolarHBondContact O-CD2 3.47Å; L268-Y272 PolarHBondContact O-N 2.98Å; L268-Y272 VanDerWaalsContact O-N 3.08Å; L268-L286 HydrophobicContact CD1-CD1 4.33Å; L268-L286 HydrophobicContact CD1-CD2 4.2Å; L268-A288 HydrophobicContact CD2-CB 3.62Å; L268-F291 HydrophobicContact CD2-CD1 3.67Å; L268-F291 HydrophobicContact CD2-CD2 4.48Å; L268-F291 HydrophobicContact CD2-CE1 3.77Å; L268-F291 HydrophobicContact CD2-CG 4.04Å; L268-F291 HydrophobicContact CD2-CZ 4.23Å
269	D	90.2	Very high	87.6	Confident	11 Å²	11	45.6 Å²	45.6	6%	0.059	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-36.5	177	-172.8	53.7	0	0	0	112.4	A265 L266 I271 Y272 R273 Y277 L408	A265-D269 WeakPolarHBondContact O-CB 3.44Å; A265-D269 PolarHBondContact O-N 3.4Å; L266-D269 PolarHBondContact O-N 2.88Å; D269-I271 VanDerWaalsContact C-N 3.33Å; D269-I271 PolarHBondContact O-N 2.86Å; D269-Y272 PolarHBondContact O-N 2.98Å; D269-R273 WeakPolarHBondContact O-CB 3.45Å; D269-R273 VanDerWaalsContact O-CG 3.32Å; D269-R273 WeakPolarHBondContact O-CG 3.49Å; D269-R273 PolarHBondContact O-N 3.03Å; D269-R273 IonicContact OD1-NE 2.67Å; D269-R273 IonicContact OD2-CZ 2.7Å; D269-R273 IonicContact OD2-NE 3.64Å; D269-R273 PolarHBondContact OD2-NE 3.34Å; D269-R273 IonicContact OD2-NH2 2.97Å; D269-R273 PolarHBondContact OD2-NH2 3.15Å; D269-Y277 PolarHBondContact OD1-OH 2.02Å; D269-L408 HydrophobicContact CB-CD2 4.28Å
270	Q	90.7	Very high	86.5	Confident	111 Å²	111	48 Å²	48	52%	0.519	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-41.6	173.2	-76	170.5	3.3	0	0	112.4	L266 E267 L268 K274	L266-Q270 VanDerWaalsContact O-CG 3.28Å; L266-Q270 WeakPolarHBondContact O-CG 3.26Å; L266-Q270 PolarHBondContact O-N 3.36Å; E267-Q270 WeakPolarHBondContact O-CB 3.23Å; E267-Q270 PolarHBondContact O-N 3.39Å; L268-Q270 VanDerWaalsContact C-N 3.3Å; L268-Q270 PolarHBondContact O-N 3.43Å; Q270-K274 PolarHBondContact O-N 3.38Å; Q270-K274 VanDerWaalsContact O-N 3.11Å
271	I	89.6	Confident	85.5	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-50.6	175.1	-67.6	-66.5	0	0	0	109.9	V238 A241 Q242 F262 E267 L268 D269 R273 K274 Y275 L282	V238-I271 HydrophobicContact CB-CD1 4.34Å; V238-I271 HydrophobicContact CG1-CD1 3.68Å; V238-I271 HydrophobicContact CG1-CG1 4.35Å; A241-I271 HydrophobicContact CB-CD1 3.82Å; A241-I271 HydrophobicContact CB-CG1 4.03Å; Q242-I271 HydrophobicContact CG-CD1 4.34Å; F262-I271 HydrophobicContact CE1-CG1 4.19Å; F262-I271 HydrophobicContact CZ-CG1 4.21Å; E267-I271 PolarHBondContact O-N 3.41Å; L268-I271 WeakPolarHBondContact O-CB 3.38Å; L268-I271 PolarHBondContact O-N 2.62Å; L268-I271 VanDerWaalsContact O-N 3.15Å; D269-I271 VanDerWaalsContact C-N 3.33Å; D269-I271 PolarHBondContact O-N 2.86Å; I271-R273 VanDerWaalsContact C-N 3.34Å; I271-R273 PolarHBondContact O-N 3Å; I271-K274 WeakPolarHBondContact O-CB 3.45Å; I271-K274 PolarHBondContact O-N 2.83Å; I271-Y275 WeakPolarHBondContact O-CD2 3.38Å; I271-Y275 PolarHBondContact O-N 3.38Å; I271-L282 HydrophobicContact CG2-CD2 4.01Å
272	Y	90	Very high	85	Confident	1 Å²	1	51.8 Å²	51.8	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-43.5	179	-79.6	-67.7	0	0	0	112.4	L268 D269 K274 Y275 N276 Y277 T279 L282 L286 P292 T295	L268-Y272 HydrophobicContact CD1-CD2 4.02Å; L268-Y272 HydrophobicContact CD1-CE2 3.57Å; L268-Y272 HydrophobicContact CD2-CE2 4.08Å; L268-Y272 HydrophobicContact CG-CD2 3.9Å; L268-Y272 HydrophobicContact CG-CE2 3.65Å; L268-Y272 WeakPolarHBondContact O-CD2 3.47Å; L268-Y272 PolarHBondContact O-N 2.98Å; L268-Y272 VanDerWaalsContact O-N 3.08Å; D269-Y272 PolarHBondContact O-N 2.98Å; Y272-K274 VanDerWaalsContact C-N 3.31Å; Y272-K274 PolarHBondContact O-N 3.21Å; Y272-Y275 CarbonylContact O-C 3.52Å; Y272-Y275 PolarHBondContact O-N 3.01Å; Y272-Y275 VanDerWaalsContact O-N 3.1Å; Y272-N276 PolarHBondContact O-N 3.2Å; Y272-Y277 HydrophobicContact CG-CD1 4.31Å; Y272-Y277 WeakPolarHBondContact O-CA 3.29Å; Y272-Y277 PolarHBondContact O-N 2.89Å; Y272-T279 HydrophobicContact CE1-CG2 4.13Å; Y272-L282 HydrophobicContact CD1-CD1 3.91Å; Y272-L282 HydrophobicContact CE1-CD1 3.43Å; Y272-L282 VanDerWaalsContact CE1-CD1 3.43Å; Y272-L286 VanDerWaalsContact OH-CD1 3.25Å; Y272-L286 WeakPolarHBondContact OH-CD1 3.43Å; Y272-P292 HydrophobicContact CD2-CG 3.78Å; Y272-P292 HydrophobicContact CE2-CG 4.24Å; Y272-P292 HydrophobicContact CG-CG 4.46Å; Y272-T295 HydrophobicContact CD1-CG2 4.18Å; Y272-T295 HydrophobicContact CE1-CG2 4.08Å; Y272-T295 HydrophobicContact CG-CG2 4.45Å; Y272-T295 PolarHBondContact OH-O 3.36Å
273	R	89.4	Confident	84.6	Confident	146 Å²	146	53.3 Å²	53.3	55%	0.551	25%	0.251	S	S	*	.	H	α-helix	trans	-59.6	-39.7	177	-74.7	-179.7	-167.5	-177.4	5.5	112.9	D269 I271 Y275 N276 Y277	D269-R273 WeakPolarHBondContact O-CB 3.45Å; D269-R273 VanDerWaalsContact O-CG 3.32Å; D269-R273 WeakPolarHBondContact O-CG 3.49Å; D269-R273 PolarHBondContact O-N 3.03Å; D269-R273 IonicContact OD1-NE 2.67Å; D269-R273 IonicContact OD2-CZ 2.7Å; D269-R273 IonicContact OD2-NE 3.64Å; D269-R273 PolarHBondContact OD2-NE 3.34Å; D269-R273 IonicContact OD2-NH2 2.97Å; D269-R273 PolarHBondContact OD2-NH2 3.15Å; I271-R273 VanDerWaalsContact C-N 3.34Å; I271-R273 PolarHBondContact O-N 3Å; R273-Y275 PolarHBondContact O-N 3.32Å; R273-N276 PolarHBondContact O-N 3.12Å; R273-Y277 HydrophobicContact CG-CE2 3.92Å; R273-Y277 WeakPolarHBondContact CG-OH 3.44Å; R273-Y277 PolarHBondContact NE-OH 2.82Å
274	K	87.9	Confident	84.8	Confident	121 Å²	121	51.3 Å²	51.3	53%	0.526	24%	0.242	S	C	.	.	H	α-helix	trans	-58.1	-29.9	177.7	-172.7	-179.2	177.7	-169.7	0	112.2	Q270 I271 Y272	Q270-K274 PolarHBondContact O-N 3.38Å; Q270-K274 VanDerWaalsContact O-N 3.11Å; I271-K274 WeakPolarHBondContact O-CB 3.45Å; I271-K274 PolarHBondContact O-N 2.83Å; Y272-K274 VanDerWaalsContact C-N 3.31Å; Y272-K274 PolarHBondContact O-N 3.21Å
275	Y	82	Confident	85.2	Confident	51 Å²	51	49.9 Å²	49.9	20%	0.2	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	25.3	-179.2	-61.1	-82.5	0	0	0	113.1	I245 I271 Y272 R273 Y277 S278 H281	I245-Y275 HydrophobicContact CD1-CE2 3.65Å; I271-Y275 WeakPolarHBondContact O-CD2 3.38Å; I271-Y275 PolarHBondContact O-N 3.38Å; Y272-Y275 CarbonylContact O-C 3.52Å; Y272-Y275 PolarHBondContact O-N 3.01Å; Y272-Y275 VanDerWaalsContact O-N 3.1Å; R273-Y275 PolarHBondContact O-N 3.32Å; Y275-Y277 PolarHBondContact O-N 3.25Å; Y275-Y277 VanDerWaalsContact O-N 3.15Å; Y275-S278 WeakPolarHBondContact O-CB 3.4Å; Y275-S278 PolarHBondContact O-N 2.82Å; Y275-H281 HydrophobicContact CD1-CB 4.4Å; Y275-H281 AromaticContact CD1-CD2 3.88Å
276	N	84.5	Confident	85.5	Confident	147 Å²	147	49.9 Å²	49.9	79%	0.786	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	37.2	179.9	-66.5	-28.3	0	0	0	113.9	Y272 R273 S278	Y272-N276 PolarHBondContact O-N 3.2Å; R273-N276 PolarHBondContact O-N 3.12Å; N276-S278 PolarHBondContact O-N 3.31Å; N276-S278 VanDerWaalsContact O-N 3.12Å
277	Y	82.1	Confident	85.7	Confident	104 Å²	104	47 Å²	47	41%	0.408	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	15.2	-175.7	-60.4	-97.1	0	0	0	114.6	D269 Y272 R273 Y275 P292 T295	D269-Y277 PolarHBondContact OD1-OH 2.02Å; Y272-Y277 HydrophobicContact CG-CD1 4.31Å; Y272-Y277 WeakPolarHBondContact O-CA 3.29Å; Y272-Y277 PolarHBondContact O-N 2.89Å; R273-Y277 HydrophobicContact CG-CE2 3.92Å; R273-Y277 WeakPolarHBondContact CG-OH 3.44Å; R273-Y277 PolarHBondContact NE-OH 2.82Å; Y275-Y277 PolarHBondContact O-N 3.25Å; Y275-Y277 VanDerWaalsContact O-N 3.15Å; Y277-P292 HydrophobicContact CD1-CB 4.39Å; Y277-P292 HydrophobicContact CE1-CB 4.06Å; Y277-P292 HydrophobicContact CE1-CG 4.3Å; Y277-T295 HydrophobicContact CD1-CG2 4.12Å
278	S	79.9	Confident	85.9	Confident	36 Å²	36	44 Å²	44	25%	0.252	21%	0.206	S	C	.	.			trans	-69.9	129.3	171.4	-178	0	0	0	0	110.4	Y275 N276 N280	Y275-S278 WeakPolarHBondContact O-CB 3.4Å; Y275-S278 PolarHBondContact O-N 2.82Å; N276-S278 PolarHBondContact O-N 3.31Å; N276-S278 VanDerWaalsContact O-N 3.12Å; S278-N280 VanDerWaalsContact C-N 3.33Å; S278-N280 WeakPolarHBondContact OG-CB 3.27Å; S278-N280 PolarHBondContact OG-N 3.31Å
279	T	74.2	Confident	85.8	Confident	29 Å²	29	44.3 Å²	44.3	18%	0.178	21%	0.207	C	C	.	.			trans	-86.3	-6.7	175.4	50.2	0	0	0	0	113.2	Y272 H281 L282	Y272-T279 HydrophobicContact CE1-CG2 4.13Å; T279-H281 PolarHBondContact O-N 2.78Å; T279-L282 PolarHBondContact O-N 3.44Å
280	N	70.6	Confident	85.8	Confident	51 Å²	51	44 Å²	44	27%	0.273	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.3	-169.1	-67.7	5.1	0	0	0	114	S174 S278 N283	S174-N280 WeakPolarHBondContact O-CB 3.4Å; S174-N280 PolarHBondContact O-ND2 3.48Å; S278-N280 VanDerWaalsContact C-N 3.33Å; S278-N280 WeakPolarHBondContact OG-CB 3.27Å; S278-N280 PolarHBondContact OG-N 3.31Å; N280-N283 PolarHBondContact O-OD1 2.71Å
281	H	72.2	Confident	85.8	Confident	79 Å²	79	39.1 Å²	39.1	37%	0.366	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-5.1	177.9	-58.5	-75.2	0	0	0	112.8	Y275 T279 N283	Y275-H281 HydrophobicContact CD1-CB 4.4Å; Y275-H281 AromaticContact CD1-CD2 3.88Å; T279-H281 PolarHBondContact O-N 2.78Å; H281-N283 PolarHBondContact O-N 2.82Å
282	L	81.9	Confident	85.7	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.185	C	C	.	.			trans	-100.6	58.6	-171.1	-58	178.1	0	0	0	110.6	I245 I271 Y272 T279 F284 L286 R297	I245-L282 HydrophobicContact CD1-CD2 4Å; I245-L282 HydrophobicContact CG1-CD2 4.28Å; I271-L282 HydrophobicContact CG2-CD2 4.01Å; Y272-L282 HydrophobicContact CD1-CD1 3.91Å; Y272-L282 HydrophobicContact CE1-CD1 3.43Å; Y272-L282 VanDerWaalsContact CE1-CD1 3.43Å; T279-L282 PolarHBondContact O-N 3.44Å; L282-F284 HydrophobicContact CB-CE1 4.48Å; L282-F284 HydrophobicContact CB-CZ 4.44Å; L282-F284 HydrophobicContact CD2-CE1 4.07Å; L282-F284 HydrophobicContact CD2-CE2 4.43Å; L282-F284 HydrophobicContact CD2-CZ 3.61Å; L282-F284 PolarHBondContact O-N 3.38Å; L282-L286 HydrophobicContact CD1-CD1 4.21Å; L282-R297 PolarHBondContact O-NH1 2.99Å
283	N	83.2	Confident	85.2	Confident	32 Å²	32	44.5 Å²	44.5	17%	0.171	21%	0.208	C	C	.	.			trans	-76.7	32.2	-174.6	-63.4	-13.6	0	0	0	114.4	C178 N280 H281	C178-N283 VanDerWaalsContact SG-CA 3.59Å; C178-N283 PolarHBondContact SG-OD1 3.27Å; N280-N283 PolarHBondContact O-OD1 2.71Å; H281-N283 PolarHBondContact O-N 2.82Å
284	F	88.8	Confident	84.8	Confident	3 Å²	3	44.4 Å²	44.4	1%	0.013	22%	0.219	C	C	.	.	S	Bend	trans	-140.8	163.5	-176.4	51.3	-93.9	0	0	0	110.6	C244 I245 C258 V260 L282 L286 R297 F300	C244-F284 HydrophobicContact CB-CD1 4.1Å; C244-F284 HydrophobicContact CB-CE1 4.18Å; C244-F284 HydrophobicContact CB-CG 4.29Å; C244-F284 HydrophobicContact CB-CZ 4.4Å; I245-F284 HydrophobicContact CD1-CE1 4.5Å; I245-F284 HydrophobicContact CD1-CZ 4.3Å; I245-F284 HydrophobicContact CG1-CE1 3.5Å; I245-F284 VanDerWaalsContact CG1-CE1 3.5Å; I245-F284 HydrophobicContact CG1-CZ 3.73Å; C258-F284 HydrophobicContact CB-CB 3.7Å; C258-F284 HydrophobicContact CB-CG 4.21Å; C258-F284 WeakPolarHBondContact O-CB 3.48Å; V260-F284 HydrophobicContact CB-CD2 4.43Å; V260-F284 HydrophobicContact CB-CE2 4.34Å; V260-F284 HydrophobicContact CG2-CD2 3.49Å; V260-F284 VanDerWaalsContact CG2-CD2 3.49Å; V260-F284 HydrophobicContact CG2-CE2 3.52Å; V260-F284 HydrophobicContact CG2-CG 4.47Å; L282-F284 HydrophobicContact CB-CE1 4.48Å; L282-F284 HydrophobicContact CB-CZ 4.44Å; L282-F284 HydrophobicContact CD2-CE1 4.07Å; L282-F284 HydrophobicContact CD2-CE2 4.43Å; L282-F284 HydrophobicContact CD2-CZ 3.61Å; L282-F284 PolarHBondContact O-N 3.38Å; F284-L286 HydrophobicContact CD2-CD2 3.98Å; F284-L286 HydrophobicContact CE2-CD2 3.54Å; F284-L286 HydrophobicContact CE2-CG 4.44Å; F284-R297 PolarHBondContact O-NH2 2.92Å; F284-F300 WeakPolarHBondContact O-CE1 3.5Å
285	L	93.2	Very high	84.8	Confident	1 Å²	1	39 Å²	39	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	130.7	-175.5	-61.5	170.7	0	0	0	110.4	I184 L232 C258 I259 V260 F300 F302	I184-L285 HydrophobicContact CD1-CD1 4.02Å; I184-L285 HydrophobicContact CD1-CD2 4.21Å; I184-L285 HydrophobicContact CD1-CG 4.09Å; L232-L285 HydrophobicContact CD1-CD1 4.1Å; L232-L285 HydrophobicContact CD2-CD1 4.22Å; C258-L285 PolarHBondContact O-N 2.75Å; I259-L285 CarbonylContact C-O 3.47Å; I259-L285 WeakPolarHBondContact CA-O 3.24Å; I259-L285 HydrophobicContact CB-CB 3.98Å; I259-L285 HydrophobicContact CB-CD1 4.34Å; I259-L285 HydrophobicContact CD1-CB 4.27Å; I259-L285 HydrophobicContact CD1-CD1 4.25Å; I259-L285 HydrophobicContact CG1-CB 3.82Å; I259-L285 HydrophobicContact CG1-CD1 4.49Å; V260-L285 PolarHBondContact N-O 3.02Å; L285-F300 HydrophobicContact CD2-CD1 4.11Å; L285-F300 HydrophobicContact CD2-CD2 3.84Å; L285-F300 HydrophobicContact CD2-CE1 3.99Å; L285-F300 HydrophobicContact CD2-CE2 3.7Å; L285-F300 HydrophobicContact CD2-CG 4.06Å; L285-F300 HydrophobicContact CD2-CZ 3.78Å; L285-F300 WeakPolarHBondContact CD2-O 3.39Å; L285-F300 HydrophobicContact CG-CZ 4.49Å; L285-F302 HydrophobicContact CD1-CE2 4.4Å; L285-F302 HydrophobicContact CD2-CE2 4.29Å
286	L	94.3	Very high	85.2	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.7	175.7	-61.4	167	0	0	0	110.5	V260 F262 L268 Y272 L282 F284 F291 D301 F302	V260-L286 HydrophobicContact CB-CD2 4.46Å; F262-L286 HydrophobicContact CE2-CD2 3.77Å; L268-L286 HydrophobicContact CD1-CD1 4.33Å; L268-L286 HydrophobicContact CD1-CD2 4.2Å; Y272-L286 VanDerWaalsContact OH-CD1 3.25Å; Y272-L286 WeakPolarHBondContact OH-CD1 3.43Å; L282-L286 HydrophobicContact CD1-CD1 4.21Å; F284-L286 HydrophobicContact CD2-CD2 3.98Å; F284-L286 HydrophobicContact CE2-CD2 3.54Å; F284-L286 HydrophobicContact CE2-CG 4.44Å; L286-F291 HydrophobicContact CB-CE1 3.85Å; L286-F291 HydrophobicContact CB-CZ 4.02Å; L286-F291 HydrophobicContact CD1-CE1 4.36Å; L286-D301 WeakPolarHBondContact CB-OD1 3.23Å; L286-D301 PolarHBondContact N-OD1 2.91Å; L286-D301 VanDerWaalsContact N-OD1 3.15Å; L286-F302 PolarHBondContact O-N 3.18Å
287	V	94.4	Very high	85.4	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	118.3	177.4	-170.3	0	0	0	0	109.8	I259 V260 L261 F262 F302 L304 L529	I259-V287 HydrophobicContact CD1-CG2 3.7Å; I259-V287 HydrophobicContact CG1-CG2 3.62Å; V260-V287 PolarHBondContact O-N 2.91Å; L261-V287 WeakPolarHBondContact CA-O 3.45Å; L261-V287 HydrophobicContact CD1-CB 3.88Å; L261-V287 HydrophobicContact CD1-CG1 3.6Å; F262-V287 PolarHBondContact N-O 2.97Å; V287-F302 WeakPolarHBondContact CA-O 3.44Å; V287-F302 HydrophobicContact CB-CB 4.5Å; V287-F302 HydrophobicContact CG1-CB 4.13Å; V287-F302 HydrophobicContact CG2-CB 4.09Å; V287-F302 HydrophobicContact CG2-CD2 4.26Å; V287-L304 HydrophobicContact CG1-CB 3.98Å; V287-L304 HydrophobicContact CG1-CD1 4.05Å; V287-L529 HydrophobicContact CG1-CD1 3.69Å; V287-L529 HydrophobicContact CG1-CD2 3.99Å; V287-L529 HydrophobicContact CG2-CD1 4.18Å
288	A	93.1	Very high	85.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	161.2	-178.6	0	0	0	0	0	112.5	F262 L268 S290 F291 F302 L303 L304	F262-A288 HydrophobicContact CB-CB 4.05Å; L268-A288 HydrophobicContact CD2-CB 3.62Å; A288-S290 VanDerWaalsContact C-N 3.31Å; A288-S290 PolarHBondContact O-N 2.95Å; A288-F291 HydrophobicContact CB-CD2 4.38Å; A288-F291 HydrophobicContact CB-CE2 3.86Å; A288-F291 HydrophobicContact CB-CZ 4.13Å; A288-F302 PolarHBondContact N-O 3.28Å; A288-L303 WeakPolarHBondContact O-CA 3.41Å; A288-L304 PolarHBondContact O-N 3.39Å
289	Y	90	Very high	85.9	Confident	5 Å²	5	34.9 Å²	34.9	2%	0.02	17%	0.172	C	C	.	.	S	Bend	trans	-66.5	-32.5	174.7	-69	-53.6	0	0	0	113.2	F263 L304 I306 I310 L442 R445 Q525	F263-Y289 WeakPolarHBondContact O-CE2 3.29Å; Y289-L304 HydrophobicContact CD1-CB 3.86Å; Y289-L304 HydrophobicContact CD1-CD2 4.09Å; Y289-L304 HydrophobicContact CD1-CG 4.04Å; Y289-L304 WeakPolarHBondContact CD1-O 3.42Å; Y289-L304 HydrophobicContact CE1-CB 4.01Å; Y289-L304 HydrophobicContact CE1-CD2 3.57Å; Y289-L304 HydrophobicContact CE1-CG 3.64Å; Y289-L304 HydrophobicContact CE2-CD2 4.18Å; Y289-I306 HydrophobicContact CD1-CB 4.48Å; Y289-I306 HydrophobicContact CD1-CG1 3.55Å; Y289-I306 HydrophobicContact CE1-CB 4.34Å; Y289-I306 HydrophobicContact CE1-CG1 3.88Å; Y289-I306 HydrophobicContact CG-CG1 4.4Å; Y289-I310 WeakPolarHBondContact OH-CD1 3.45Å; Y289-L442 WeakPolarHBondContact O-CD1 3.46Å; Y289-R445 PolarHBondContact O-NH2 3.35Å; Y289-Q525 PolarHBondContact OH-NE2 3.08Å
290	S	89.9	Confident	86.7	Confident	5 Å²	5	33.7 Å²	33.7	4%	0.035	16%	0.164	C	C	.	.			trans	-150.4	151.7	179.9	-170.1	0	0	0	0	108.9	A288 N406	A288-S290 VanDerWaalsContact C-N 3.31Å; A288-S290 PolarHBondContact O-N 2.95Å; S290-N406 WeakPolarHBondContact CB-O 3.44Å
291	F	90.1	Very high	87.8	Confident	8 Å²	8	31.3 Å²	31.3	4%	0.035	15%	0.151	C	C	.	.			trans	-118.2	149.9	176.4	-76	-105.5	0	0	0	109.7	L268 L286 A288 F296 D301 F302 L303	L268-F291 HydrophobicContact CD2-CD1 3.67Å; L268-F291 HydrophobicContact CD2-CD2 4.48Å; L268-F291 HydrophobicContact CD2-CE1 3.77Å; L268-F291 HydrophobicContact CD2-CG 4.04Å; L268-F291 HydrophobicContact CD2-CZ 4.23Å; L286-F291 HydrophobicContact CB-CE1 3.85Å; L286-F291 HydrophobicContact CB-CZ 4.02Å; L286-F291 HydrophobicContact CD1-CE1 4.36Å; A288-F291 HydrophobicContact CB-CD2 4.38Å; A288-F291 HydrophobicContact CB-CE2 3.86Å; A288-F291 HydrophobicContact CB-CZ 4.13Å; F291-F296 HydrophobicContact CB-CB 3.85Å; F291-F296 HydrophobicContact CB-CD2 4.49Å; F291-F296 HydrophobicContact CD1-CB 4.15Å; F291-F296 AromaticContact CD1-CD2 3.97Å; F291-F296 HydrophobicContact CD1-CD2 3.97Å; F291-F296 HydrophobicContact CD2-CB 4.43Å; F291-F296 AromaticContact CD2-CD2 3.5Å; F291-F296 HydrophobicContact CD2-CD2 3.5Å; F291-F296 HydrophobicContact CD2-CE2 4.2Å; F291-F296 HydrophobicContact CD2-CG 4.36Å; F291-F296 HydrophobicContact CE1-CD2 4.02Å; F291-F296 AromaticContact CE2-CD2 3.57Å; F291-F296 HydrophobicContact CE2-CD2 3.57Å; F291-F296 AromaticContact CE2-CE2 3.9Å; F291-F296 HydrophobicContact CE2-CE2 3.9Å; F291-F296 HydrophobicContact CG-CB 3.89Å; F291-F296 AromaticContact CG-CD2 3.72Å; F291-F296 HydrophobicContact CG-CD2 3.72Å; F291-F296 HydrophobicContact CG-CG 4.28Å; F291-F296 AromaticContact CZ-CD2 3.84Å; F291-F296 HydrophobicContact CZ-CD2 3.84Å; F291-F296 HydrophobicContact CZ-CE2 4.22Å; F291-D301 HydrophobicContact CE1-CB 4.1Å; F291-D301 HydrophobicContact CZ-CB 3.98Å; F291-F302 WeakPolarHBondContact CE2-O 3.43Å; F291-L303 HydrophobicContact CD2-CD2 3.7Å; F291-L303 HydrophobicContact CE2-CD2 3.93Å
292	P	87.4	Confident	88.8	Confident	9 Å²	9	27.6 Å²	27.6	6%	0.058	13%	0.134	C	C	.	.			trans	-56.7	154.5	167.2	-19	26.8	0	0	0	111.5	Y272 Y277 N294 T295 L408	Y272-P292 HydrophobicContact CD2-CG 3.78Å; Y272-P292 HydrophobicContact CE2-CG 4.24Å; Y272-P292 HydrophobicContact CG-CG 4.46Å; Y277-P292 HydrophobicContact CD1-CB 4.39Å; Y277-P292 HydrophobicContact CE1-CB 4.06Å; Y277-P292 HydrophobicContact CE1-CG 4.3Å; P292-N294 PolarHBondContact O-N 3.48Å; P292-T295 HydrophobicContact CB-CG2 3.82Å; P292-T295 VanDerWaalsContact CD-OG1 3.22Å; P292-T295 WeakPolarHBondContact CD-OG1 3.4Å; P292-T295 HydrophobicContact CG-CG2 4.27Å; P292-T295 PolarHBondContact O-N 2.67Å; P292-T295 PolarHBondContact O-OG1 2.83Å; P292-L408 HydrophobicContact CB-CD1 4.41Å; P292-L408 VanDerWaalsContact CD-CD1 3.46Å; P292-L408 HydrophobicContact CG-CD1 3.81Å
293	E	80.6	Confident	89.2	Confident	106 Å²	106	27.8 Å²	27.8	50%	0.495	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	137.1	179.3	-65.9	-166.9	162.4	0	0	111.5	T295	E293-T295 PolarHBondContact O-N 3Å; E293-T295 VanDerWaalsContact O-N 3.09Å
294	N	81.4	Confident	89.6	Confident	145 Å²	145	26.3 Å²	26.3	78%	0.775	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	12.5	179.2	-52.3	-31.9	0	0	0	116.3	P292	P292-N294 PolarHBondContact O-N 3.48Å
295	T	87.6	Confident	89.5	Confident	8 Å²	8	26.8 Å²	26.8	5%	0.049	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-22.4	178.5	62.5	0	0	0	0	114.4	Y272 Y277 P292 E293 R297	Y272-T295 HydrophobicContact CD1-CG2 4.18Å; Y272-T295 HydrophobicContact CE1-CG2 4.08Å; Y272-T295 HydrophobicContact CG-CG2 4.45Å; Y272-T295 PolarHBondContact OH-O 3.36Å; Y277-T295 HydrophobicContact CD1-CG2 4.12Å; P292-T295 HydrophobicContact CB-CG2 3.82Å; P292-T295 VanDerWaalsContact CD-OG1 3.22Å; P292-T295 WeakPolarHBondContact CD-OG1 3.4Å; P292-T295 HydrophobicContact CG-CG2 4.27Å; P292-T295 PolarHBondContact O-N 2.67Å; P292-T295 PolarHBondContact O-OG1 2.83Å; E293-T295 PolarHBondContact O-N 3Å; E293-T295 VanDerWaalsContact O-N 3.09Å; T295-R297 PolarHBondContact O-N 3.29Å
296	F	89.3	Confident	89.2	Confident	17 Å²	17	26.8 Å²	26.8	8%	0.075	13%	0.13	C	C	.	.			trans	-70.2	115.9	-179.3	179.6	-103.8	0	0	0	111.5	F291 R298 D301 L303 Y439 L440 Y467	F291-F296 HydrophobicContact CB-CB 3.85Å; F291-F296 HydrophobicContact CB-CD2 4.49Å; F291-F296 HydrophobicContact CD1-CB 4.15Å; F291-F296 AromaticContact CD1-CD2 3.97Å; F291-F296 HydrophobicContact CD1-CD2 3.97Å; F291-F296 HydrophobicContact CD2-CB 4.43Å; F291-F296 AromaticContact CD2-CD2 3.5Å; F291-F296 HydrophobicContact CD2-CD2 3.5Å; F291-F296 HydrophobicContact CD2-CE2 4.2Å; F291-F296 HydrophobicContact CD2-CG 4.36Å; F291-F296 HydrophobicContact CE1-CD2 4.02Å; F291-F296 AromaticContact CE2-CD2 3.57Å; F291-F296 HydrophobicContact CE2-CD2 3.57Å; F291-F296 AromaticContact CE2-CE2 3.9Å; F291-F296 HydrophobicContact CE2-CE2 3.9Å; F291-F296 HydrophobicContact CG-CB 3.89Å; F291-F296 AromaticContact CG-CD2 3.72Å; F291-F296 HydrophobicContact CG-CD2 3.72Å; F291-F296 HydrophobicContact CG-CG 4.28Å; F291-F296 AromaticContact CZ-CD2 3.84Å; F291-F296 HydrophobicContact CZ-CD2 3.84Å; F291-F296 HydrophobicContact CZ-CE2 4.22Å; F296-R298 HydrophobicContact CE1-CB 4.37Å; F296-R298 PolarHBondContact O-N 2.82Å; F296-D301 HydrophobicContact CD2-CB 3.76Å; F296-D301 HydrophobicContact CE2-CB 3.62Å; F296-D301 WeakPolarHBondContact CE2-O 3.4Å; F296-D301 HydrophobicContact CZ-CB 4.44Å; F296-D301 VanDerWaalsContact CZ-O 3.31Å; F296-D301 WeakPolarHBondContact CZ-O 3.46Å; F296-L303 HydrophobicContact CE2-CD2 4.39Å; F296-L303 HydrophobicContact CE2-CG 4.02Å; F296-L303 HydrophobicContact CZ-CG 4.21Å; F296-Y439 HydrophobicContact CD1-CE2 4.49Å; F296-L440 HydrophobicContact CB-CD1 3.72Å; F296-L440 HydrophobicContact CB-CD2 4.38Å; F296-L440 HydrophobicContact CD1-CD1 4.25Å; F296-L440 HydrophobicContact CD1-CD2 3.63Å; F296-L440 HydrophobicContact CD2-CD2 4.49Å; F296-L440 HydrophobicContact CE1-CD2 3.95Å; F296-L440 HydrophobicContact CG-CD1 4.16Å; F296-L440 HydrophobicContact CG-CD2 3.91Å; F296-Y467 HydrophobicContact CE1-CD2 4.2Å; F296-Y467 AromaticContact CE1-CE2 3.69Å; F296-Y467 HydrophobicContact CE1-CE2 3.69Å; F296-Y467 HydrophobicContact CZ-CE1 4.35Å; F296-Y467 AromaticContact CZ-CE2 3.8Å; F296-Y467 HydrophobicContact CZ-CE2 3.8Å; F296-Y467 AromaticContact CZ-CZ 3.7Å
297	R	89.2	Confident	88.9	Confident	23 Å²	23	26.8 Å²	26.8	9%	0.087	13%	0.13	C	C	.	.			trans	-85.4	96	179.4	-59.8	167	-68.1	-179.2	3.6	109.8	L282 F284 T295 G299 F300 D301	L282-R297 PolarHBondContact O-NH1 2.99Å; F284-R297 PolarHBondContact O-NH2 2.92Å; T295-R297 PolarHBondContact O-N 3.29Å; R297-G299 PolarHBondContact O-N 3.29Å; R297-F300 HydrophobicContact CB-CB 4.02Å; R297-F300 VanDerWaalsContact CZ-CD1 3.42Å; R297-F300 PolarHBondContact O-N 3.34Å; R297-D301 VanDerWaalsContact CB-OD2 3.24Å; R297-D301 WeakPolarHBondContact CB-OD2 3.48Å; R297-D301 WeakPolarHBondContact CG-OD2 3.47Å; R297-D301 IonicContact CZ-OD1 2.66Å; R297-D301 IonicContact CZ-OD2 2.97Å; R297-D301 PolarHBondContact N-OD2 2.83Å; R297-D301 IonicContact NE-OD1 2.87Å; R297-D301 PolarHBondContact NE-OD1 2.74Å; R297-D301 IonicContact NE-OD2 2.98Å; R297-D301 PolarHBondContact NE-OD2 3.17Å; R297-D301 IonicContact NH2-OD1 3.85Å; R297-D301 PolarHBondContact NH2-OD1 2.9Å; R297-D301 IonicContact NH2-OD2 2.98Å; R297-D301 PolarHBondContact O-N 3.37Å
298	R	86.3	Confident	88.6	Confident	185 Å²	185	27.9 Å²	27.9	70%	0.698	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	128.8	-179.4	-175.1	178.6	-178	169.2	2.6	110.6	F296 F300	F296-R298 HydrophobicContact CE1-CB 4.37Å; F296-R298 PolarHBondContact O-N 2.82Å; R298-F300 VanDerWaalsContact C-N 3.26Å; R298-F300 PolarHBondContact O-N 2.9Å
299	G	87	Confident	88.3	Confident	26 Å²	26	31.8 Å²	31.8	27%	0.268	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	2.2	-178.6	0	0	0	0	0	114.1	I180 R297 R536	I180-G299 WeakPolarHBondContact CD1-O 3.39Å; I180-G299 WeakPolarHBondContact CG1-O 3.37Å; R297-G299 PolarHBondContact O-N 3.29Å; G299-R536 WeakPolarHBondContact O-CD 3.25Å
300	F	90.8	Very high	88.1	Confident	4 Å²	4	32.6 Å²	32.6	2%	0.018	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-58.7	170.7	-170	-108.1	0	0	0	109.9	C178 T179 I180 C183 I184 F284 L285 R297 R298 F302 R536	C178-F300 HydrophobicContact CB-CD1 4.39Å; C178-F300 HydrophobicContact CB-CE1 3.92Å; C178-F300 HydrophobicContact CB-CE2 4.34Å; C178-F300 HydrophobicContact CB-CZ 3.89Å; T179-F300 VanDerWaalsContact C-CD2 3.45Å; T179-F300 VanDerWaalsContact O-CE2 3.28Å; T179-F300 WeakPolarHBondContact O-CE2 3.28Å; I180-F300 HydrophobicContact CG1-CD2 4.26Å; C183-F300 HydrophobicContact CB-CE2 4.15Å; C183-F300 HydrophobicContact CB-CZ 3.89Å; I184-F300 HydrophobicContact CD1-CE2 4.4Å; F284-F300 WeakPolarHBondContact O-CE1 3.5Å; L285-F300 HydrophobicContact CD2-CD1 4.11Å; L285-F300 HydrophobicContact CD2-CD2 3.84Å; L285-F300 HydrophobicContact CD2-CE1 3.99Å; L285-F300 HydrophobicContact CD2-CE2 3.7Å; L285-F300 HydrophobicContact CD2-CG 4.06Å; L285-F300 HydrophobicContact CD2-CZ 3.78Å; L285-F300 WeakPolarHBondContact CD2-O 3.39Å; L285-F300 HydrophobicContact CG-CZ 4.49Å; R297-F300 HydrophobicContact CB-CB 4.02Å; R297-F300 VanDerWaalsContact CZ-CD1 3.42Å; R297-F300 PolarHBondContact O-N 3.34Å; R298-F300 VanDerWaalsContact C-N 3.26Å; R298-F300 PolarHBondContact O-N 2.9Å; F300-F302 WeakPolarHBondContact O-CE2 3.46Å; F300-R536 VanDerWaalsContact C-NH1 3.33Å; F300-R536 PolarHBondContact O-NH1 3.01Å
301	D	92.5	Very high	88	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-79.2	157	179.2	-63.4	-38.5	0	0	0	113.2	L286 F291 F296 R297 R536	L286-D301 WeakPolarHBondContact CB-OD1 3.23Å; L286-D301 PolarHBondContact N-OD1 2.91Å; L286-D301 VanDerWaalsContact N-OD1 3.15Å; F291-D301 HydrophobicContact CE1-CB 4.1Å; F291-D301 HydrophobicContact CZ-CB 3.98Å; F296-D301 HydrophobicContact CD2-CB 3.76Å; F296-D301 HydrophobicContact CE2-CB 3.62Å; F296-D301 WeakPolarHBondContact CE2-O 3.4Å; F296-D301 HydrophobicContact CZ-CB 4.44Å; F296-D301 VanDerWaalsContact CZ-O 3.31Å; F296-D301 WeakPolarHBondContact CZ-O 3.46Å; R297-D301 VanDerWaalsContact CB-OD2 3.24Å; R297-D301 WeakPolarHBondContact CB-OD2 3.48Å; R297-D301 WeakPolarHBondContact CG-OD2 3.47Å; R297-D301 IonicContact CZ-OD1 2.66Å; R297-D301 IonicContact CZ-OD2 2.97Å; R297-D301 PolarHBondContact N-OD2 2.83Å; R297-D301 IonicContact NE-OD1 2.87Å; R297-D301 PolarHBondContact NE-OD1 2.74Å; R297-D301 IonicContact NE-OD2 2.98Å; R297-D301 PolarHBondContact NE-OD2 3.17Å; R297-D301 IonicContact NH2-OD1 3.85Å; R297-D301 PolarHBondContact NH2-OD1 2.9Å; R297-D301 IonicContact NH2-OD2 2.98Å; R297-D301 PolarHBondContact O-N 3.37Å; D301-R536 VanDerWaalsContact C-NH1 3.33Å; D301-R536 PolarHBondContact O-NH1 2.91Å
302	F	93.7	Very high	87.9	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.009	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136.2	-178.8	-60.5	-95.3	0	0	0	111.7	L285 L286 V287 A288 F291 F300 L529 A532 V533 R536	L285-F302 HydrophobicContact CD1-CE2 4.4Å; L285-F302 HydrophobicContact CD2-CE2 4.29Å; L286-F302 PolarHBondContact O-N 3.18Å; V287-F302 WeakPolarHBondContact CA-O 3.44Å; V287-F302 HydrophobicContact CB-CB 4.5Å; V287-F302 HydrophobicContact CG1-CB 4.13Å; V287-F302 HydrophobicContact CG2-CB 4.09Å; V287-F302 HydrophobicContact CG2-CD2 4.26Å; A288-F302 PolarHBondContact N-O 3.28Å; F291-F302 WeakPolarHBondContact CE2-O 3.43Å; F300-F302 WeakPolarHBondContact O-CE2 3.46Å; F302-L529 HydrophobicContact CB-CD1 4.03Å; F302-L529 HydrophobicContact CD1-CD1 4.47Å; F302-L529 HydrophobicContact CG-CD1 4.23Å; F302-A532 HydrophobicContact CD1-CB 4Å; F302-A532 HydrophobicContact CE1-CB 3.96Å; F302-V533 HydrophobicContact CD1-CG2 4.21Å; F302-V533 HydrophobicContact CD2-CG2 4.17Å; F302-V533 HydrophobicContact CE1-CB 4.33Å; F302-V533 HydrophobicContact CE1-CG2 3.82Å; F302-V533 HydrophobicContact CE2-CG2 3.77Å; F302-V533 HydrophobicContact CG-CG2 4.37Å; F302-V533 HydrophobicContact CZ-CB 3.97Å; F302-V533 HydrophobicContact CZ-CG1 4.26Å; F302-V533 HydrophobicContact CZ-CG2 3.57Å; F302-R536 HydrophobicContact CE1-CB 4.14Å; F302-R536 VanDerWaalsContact CE1-NH1 3.26Å; F302-R536 HydrophobicContact CZ-CB 3.94Å; F302-R536 HydrophobicContact CZ-CG 4.16Å; F302-R536 VanDerWaalsContact CZ-NH1 3.32Å
303	L	91.4	Very high	87.8	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	124.6	163	-73.9	175.5	0	0	0	108.6	A288 F291 F296 P305 L440 Y467	A288-L303 WeakPolarHBondContact O-CA 3.41Å; F291-L303 HydrophobicContact CD2-CD2 3.7Å; F291-L303 HydrophobicContact CE2-CD2 3.93Å; F296-L303 HydrophobicContact CE2-CD2 4.39Å; F296-L303 HydrophobicContact CE2-CG 4.02Å; F296-L303 HydrophobicContact CZ-CG 4.21Å; L303-P305 VanDerWaalsContact O-CD 3.31Å; L303-P305 WeakPolarHBondContact O-CD 3.48Å; L303-L440 HydrophobicContact CD1-CD2 3.59Å; L303-L440 HydrophobicContact CD2-CD2 4.31Å; L303-L440 HydrophobicContact CG-CD2 4.23Å; L303-Y467 HydrophobicContact CB-CD1 4.12Å; L303-Y467 HydrophobicContact CB-CE1 4.08Å; L303-Y467 HydrophobicContact CD1-CD1 3.45Å; L303-Y467 VanDerWaalsContact CD1-CD1 3.45Å; L303-Y467 HydrophobicContact CD1-CE1 4.05Å; L303-Y467 HydrophobicContact CD1-CG 3.71Å; L303-Y467 HydrophobicContact CG-CD1 4.11Å; L303-Y467 HydrophobicContact CG-CE1 4.22Å
304	L	90.7	Very high	88.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-70	120.9	174.4	-171.8	57.6	0	0	0	108.7	L261 V287 A288 Y289 I306 Q525 L529	L261-L304 HydrophobicContact CD1-CD1 3.87Å; L261-L304 HydrophobicContact CD1-CD2 4.2Å; L261-L304 HydrophobicContact CG-CD2 4.39Å; V287-L304 HydrophobicContact CG1-CB 3.98Å; V287-L304 HydrophobicContact CG1-CD1 4.05Å; A288-L304 PolarHBondContact O-N 3.39Å; Y289-L304 HydrophobicContact CD1-CB 3.86Å; Y289-L304 HydrophobicContact CD1-CD2 4.09Å; Y289-L304 HydrophobicContact CD1-CG 4.04Å; Y289-L304 WeakPolarHBondContact CD1-O 3.42Å; Y289-L304 HydrophobicContact CE1-CB 4.01Å; Y289-L304 HydrophobicContact CE1-CD2 3.57Å; Y289-L304 HydrophobicContact CE1-CG 3.64Å; Y289-L304 HydrophobicContact CE2-CD2 4.18Å; L304-I306 PolarHBondContact O-N 3.21Å; L304-Q525 HydrophobicContact CD1-CG 3.87Å; L304-Q525 HydrophobicContact CG-CG 4.36Å; L304-L529 HydrophobicContact CD1-CD2 4.18Å
305	P	86.8	Confident	88.3	Confident	13 Å²	13	31.5 Å²	31.5	8%	0.084	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-60	132.9	173.7	-22.3	33.7	0	0	0	109.3	L303 L519 Q525 T528	L303-P305 VanDerWaalsContact O-CD 3.31Å; L303-P305 WeakPolarHBondContact O-CD 3.48Å; P305-L519 HydrophobicContact CB-CD2 3.94Å; P305-Q525 WeakPolarHBondContact O-CG 3.08Å; P305-Q525 PolarHBondContact O-NE2 2.7Å; P305-T528 HydrophobicContact CG-CG2 3.68Å
306	I	86.7	Confident	87.7	Confident	1 Å²	1	40 Å²	40	1%	0.005	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-79.4	125.9	174.7	-55.8	161.6	0	0	0	106.8	Y289 L304 L311 L442 I446 I449	Y289-I306 HydrophobicContact CD1-CB 4.48Å; Y289-I306 HydrophobicContact CD1-CG1 3.55Å; Y289-I306 HydrophobicContact CE1-CB 4.34Å; Y289-I306 HydrophobicContact CE1-CG1 3.88Å; Y289-I306 HydrophobicContact CG-CG1 4.4Å; L304-I306 PolarHBondContact O-N 3.21Å; I306-L311 HydrophobicContact CG2-CD1 4.44Å; I306-L311 HydrophobicContact CG2-CD2 4.16Å; I306-L311 HydrophobicContact CG2-CG 4.18Å; I306-L442 HydrophobicContact CD1-CD1 3.33Å; I306-L442 HydrophobicContact CD1-CG 4.04Å; I306-L442 HydrophobicContact CG1-CD1 4.14Å; I306-I446 HydrophobicContact CD1-CD1 3.92Å; I306-I446 HydrophobicContact CD1-CG1 3.35Å; I306-I449 HydrophobicContact CB-CD1 3.7Å; I306-I449 HydrophobicContact CG2-CD1 4.37Å; I306-I449 WeakPolarHBondContact O-CD1 3.35Å
307	N	87.2	Confident	87.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-84.4	150.7	170	67.7	70	0	0	0	111.2	D309 I310 L519 D521 Q525	N307-D309 PolarHBondContact O-N 3.09Å; N307-D309 PolarHBondContact OD1-N 3.1Å; N307-I310 WeakPolarHBondContact ND2-CD1 3.29Å; N307-I310 PolarHBondContact O-N 2.85Å; N307-I310 VanDerWaalsContact OD1-CG1 3.27Å; N307-I310 WeakPolarHBondContact OD1-CG1 3.18Å; N307-I310 PolarHBondContact OD1-N 2.95Å; N307-L519 VanDerWaalsContact CA-O 3.29Å; N307-L519 WeakPolarHBondContact CA-O 3.25Å; N307-D521 VanDerWaalsContact CB-C 3.46Å; N307-D521 VanDerWaalsContact CB-O 3.25Å; N307-D521 WeakPolarHBondContact CB-O 3.4Å; N307-Q525 HydrophobicContact CB-CB 4.19Å; N307-Q525 PolarHBondContact ND2-OE1 3.28Å
308	Y	89.1	Confident	87	Confident	23 Å²	23	44.5 Å²	44.5	9%	0.09	20%	0.204	C	C	.	.	H	α-helix	trans	-67	-35.4	-176	-166.6	-118.5	0	0	0	112.9	I310 L311 C312 I318 C319 I449 A453 F515 L519 K520	Y308-I310 VanDerWaalsContact C-N 3.27Å; Y308-I310 PolarHBondContact O-N 3.11Å; Y308-L311 HydrophobicContact CD2-CD1 4.16Å; Y308-L311 WeakPolarHBondContact O-CA 3.38Å; Y308-L311 WeakPolarHBondContact O-CB 3.14Å; Y308-L311 PolarHBondContact O-N 2.93Å; Y308-C312 PolarHBondContact O-N 3.35Å; Y308-C312 PolarHBondContact O-SG 3.49Å; Y308-I318 HydrophobicContact CE2-CG2 3.89Å; Y308-I318 PolarHBondContact OH-O 3.46Å; Y308-I318 VanDerWaalsContact OH-O 3.1Å; Y308-C319 VanDerWaalsContact CE1-SG 3.59Å; Y308-I449 HydrophobicContact CD2-CG2 3.79Å; Y308-I449 HydrophobicContact CG-CG2 4.35Å; Y308-A453 HydrophobicContact CD1-CB 3.98Å; Y308-A453 HydrophobicContact CD2-CB 3.72Å; Y308-A453 HydrophobicContact CE1-CB 3.74Å; Y308-A453 HydrophobicContact CE2-CB 3.49Å; Y308-A453 VanDerWaalsContact CE2-CB 3.49Å; Y308-A453 HydrophobicContact CG-CB 3.96Å; Y308-A453 VanDerWaalsContact CZ-CB 3.49Å; Y308-F515 AromaticContact CD1-CZ 3.95Å; Y308-F515 HydrophobicContact CD1-CZ 3.95Å; Y308-F515 HydrophobicContact CG-CE2 4.06Å; Y308-F515 AromaticContact CG-CZ 3.95Å; Y308-F515 HydrophobicContact CG-CZ 3.95Å; Y308-L519 PolarHBondContact N-O 3.19Å; Y308-L519 VanDerWaalsContact N-O 3.07Å; Y308-K520 PolarHBondContact N-O 3.31Å
309	D	86.9	Confident	86.6	Confident	82 Å²	82	37.5 Å²	37.5	44%	0.439	18%	0.183	S	C	.	.	H	α-helix	trans	-58.2	-35.3	178	-72.6	-15.9	0	0	0	113.5	N307 L311 C312 K313 K520 D521	N307-D309 PolarHBondContact O-N 3.09Å; N307-D309 PolarHBondContact OD1-N 3.1Å; D309-L311 VanDerWaalsContact C-N 3.31Å; D309-L311 PolarHBondContact O-N 2.85Å; D309-C312 WeakPolarHBondContact O-CB 3.16Å; D309-C312 PolarHBondContact O-N 2.79Å; D309-K313 PolarHBondContact O-N 3.07Å; D309-K520 PolarHBondContact N-O 2.8Å; D309-D521 WeakPolarHBondContact OD2-CB 3.01Å
310	I	86.3	Confident	85.5	Confident	23 Å²	23	40.5 Å²	40.5	12%	0.118	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-42.3	174.2	-74.6	171.3	0	0	0	110.3	Y289 N307 Y308 C312 K313 Y314 F402	Y289-I310 WeakPolarHBondContact OH-CD1 3.45Å; N307-I310 WeakPolarHBondContact ND2-CD1 3.29Å; N307-I310 PolarHBondContact O-N 2.85Å; N307-I310 VanDerWaalsContact OD1-CG1 3.27Å; N307-I310 WeakPolarHBondContact OD1-CG1 3.18Å; N307-I310 PolarHBondContact OD1-N 2.95Å; Y308-I310 VanDerWaalsContact C-N 3.27Å; Y308-I310 PolarHBondContact O-N 3.11Å; I310-C312 VanDerWaalsContact C-N 3.34Å; I310-K313 WeakPolarHBondContact O-CB 3.3Å; I310-K313 PolarHBondContact O-N 3.21Å; I310-Y314 HydrophobicContact CG2-CD2 4.29Å; I310-Y314 HydrophobicContact CG2-CE2 4.06Å; I310-Y314 WeakPolarHBondContact O-CD2 3.39Å; I310-Y314 PolarHBondContact O-N 3.21Å; I310-F402 HydrophobicContact CG2-CE2 3.74Å; I310-F402 HydrophobicContact CG2-CZ 3.85Å
311	L	87.3	Confident	84.2	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-41.9	176.7	-57	174.3	0	0	0	110.6	I306 Y308 D309 K313 Y314 S315 Y399 F402 I446	I306-L311 HydrophobicContact CG2-CD1 4.44Å; I306-L311 HydrophobicContact CG2-CD2 4.16Å; I306-L311 HydrophobicContact CG2-CG 4.18Å; Y308-L311 HydrophobicContact CD2-CD1 4.16Å; Y308-L311 WeakPolarHBondContact O-CA 3.38Å; Y308-L311 WeakPolarHBondContact O-CB 3.14Å; Y308-L311 PolarHBondContact O-N 2.93Å; D309-L311 VanDerWaalsContact C-N 3.31Å; D309-L311 PolarHBondContact O-N 2.85Å; L311-K313 VanDerWaalsContact C-N 3.26Å; L311-K313 PolarHBondContact O-N 2.94Å; L311-Y314 PolarHBondContact O-N 3.4Å; L311-Y314 VanDerWaalsContact O-N 3.15Å; L311-S315 PolarHBondContact O-N 3.17Å; L311-Y399 HydrophobicContact CD2-CE2 4.08Å; L311-F402 HydrophobicContact CD2-CE1 3.81Å; L311-F402 HydrophobicContact CD2-CZ 4.39Å; L311-I446 HydrophobicContact CD1-CG2 3.89Å; L311-I446 HydrophobicContact CD2-CD1 4.16Å; L311-I446 HydrophobicContact CD2-CG1 4.4Å; L311-I446 HydrophobicContact CD2-CG2 4.26Å
312	C	87.5	Confident	82.7	Confident	27 Å²	27	48.8 Å²	48.8	18%	0.182	25%	0.254	C	S	.	.	H	α-helix	trans	-59	-35.4	175.5	-56.1	0	0	0	0	113.2	Y308 D309 I310 Y314 S315 C319	Y308-C312 PolarHBondContact O-N 3.35Å; Y308-C312 PolarHBondContact O-SG 3.49Å; D309-C312 WeakPolarHBondContact O-CB 3.16Å; D309-C312 PolarHBondContact O-N 2.79Å; I310-C312 VanDerWaalsContact C-N 3.34Å; C312-Y314 VanDerWaalsContact C-N 3.31Å; C312-Y314 PolarHBondContact O-N 2.94Å; C312-S315 CarbonylContact O-C 3.59Å; C312-S315 VanDerWaalsContact O-C 3.32Å; C312-C319 WeakPolarHBondContact CA-SG 3.18Å; C312-C319 HydrophobicContact CB-CB 3.65Å; C312-C319 WeakPolarHBondContact CB-SG 3.47Å; C312-C319 WeakPolarHBondContact SG-CB 2.95Å; C312-C319 CovalentContact SG-SG 2.01Å; C312-C319 PolarHBondContact SG-SG 3.32Å
313	K	86.5	Confident	81.4	Confident	144 Å²	144	51.7 Å²	51.7	63%	0.626	27%	0.274	S	S	*	.	H	α-helix	trans	-63.6	-36.7	178	-175.3	-178.8	176.6	-177.5	0	112.2	D309 I310 L311	D309-K313 PolarHBondContact O-N 3.07Å; I310-K313 WeakPolarHBondContact O-CB 3.3Å; I310-K313 PolarHBondContact O-N 3.21Å; L311-K313 VanDerWaalsContact C-N 3.26Å; L311-K313 PolarHBondContact O-N 2.94Å
314	Y	86.5	Confident	80.6	Confident	74 Å²	74	54.9 Å²	54.9	29%	0.29	30%	0.295	S	S	.	.	H	α-helix	trans	-90.9	-22.7	-179	-67.5	-75.5	0	0	0	113.3	I310 L311 C312 F402	I310-Y314 HydrophobicContact CG2-CD2 4.29Å; I310-Y314 HydrophobicContact CG2-CE2 4.06Å; I310-Y314 WeakPolarHBondContact O-CD2 3.39Å; I310-Y314 PolarHBondContact O-N 3.21Å; L311-Y314 PolarHBondContact O-N 3.4Å; L311-Y314 VanDerWaalsContact O-N 3.15Å; C312-Y314 VanDerWaalsContact C-N 3.31Å; C312-Y314 PolarHBondContact O-N 2.94Å; Y314-F402 HydrophobicContact CD1-CB 3.84Å; Y314-F402 HydrophobicContact CD1-CG 4.48Å; Y314-F402 HydrophobicContact CD2-CB 3.89Å; Y314-F402 HydrophobicContact CD2-CD1 4.31Å; Y314-F402 AromaticContact CD2-CD2 3.54Å; Y314-F402 HydrophobicContact CD2-CD2 3.54Å; Y314-F402 HydrophobicContact CD2-CE2 4.14Å; Y314-F402 AromaticContact CD2-CG 3.63Å; Y314-F402 HydrophobicContact CD2-CG 3.63Å; Y314-F402 HydrophobicContact CE1-CB 4.11Å; Y314-F402 HydrophobicContact CE1-CD2 4.45Å; Y314-F402 HydrophobicContact CE2-CB 4.16Å; Y314-F402 AromaticContact CE2-CD2 3.24Å; Y314-F402 HydrophobicContact CE2-CD2 3.24Å; Y314-F402 AromaticContact CE2-CE2 3.79Å; Y314-F402 HydrophobicContact CE2-CE2 3.79Å; Y314-F402 AromaticContact CE2-CG 3.82Å; Y314-F402 HydrophobicContact CE2-CG 3.82Å; Y314-F402 HydrophobicContact CG-CB 3.74Å; Y314-F402 HydrophobicContact CG-CD2 4.28Å; Y314-F402 HydrophobicContact CG-CG 4.01Å; Y314-F402 AromaticContact CZ-CD2 3.75Å
315	S	85.3	Confident	80.2	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.014	30%	0.304	C	S	.	.			trans	-138.5	111.7	172.7	-174.4	0	0	0	0	112.4	L311 C312 K317 E417	L311-S315 PolarHBondContact O-N 3.17Å; C312-S315 CarbonylContact O-C 3.59Å; C312-S315 VanDerWaalsContact O-C 3.32Å; S315-K317 VanDerWaalsContact C-N 3.28Å; S315-K317 PolarHBondContact O-N 3.42Å; S315-E417 WeakPolarHBondContact CB-OE1 3.44Å; S315-E417 WeakPolarHBondContact OG-CG 3.22Å; S315-E417 PolarHBondContact OG-OE1 2.62Å; S315-E417 PolarHBondContact OG-OE2 3.44Å
316	K	75.1	Confident	80.3	Confident	186 Å²	186	59 Å²	59	81%	0.809	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-30.9	174.5	-69.1	-173.1	177.6	-175.7	0	112.6	C319 S320	K316-C319 CarbonylContact O-C 3.48Å; K316-C319 PolarHBondContact O-N 3.14Å; K316-S320 WeakPolarHBondContact O-CA 3.36Å; K316-S320 WeakPolarHBondContact O-CB 3.44Å; K316-S320 PolarHBondContact O-N 2.93Å
317	K	81.9	Confident	80.5	Confident	132 Å²	132	59.2 Å²	59.2	57%	0.574	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-40.8	-177.4	-77.3	-176.1	-179	176.5	0	111.8	S315 C319 S320 E417	S315-K317 VanDerWaalsContact C-N 3.28Å; S315-K317 PolarHBondContact O-N 3.42Å; K317-C319 PolarHBondContact O-N 3.34Å; K317-C319 VanDerWaalsContact O-N 3.14Å; K317-S320 PolarHBondContact O-N 3.03Å; K317-S320 PolarHBondContact O-OG 3.3Å; K317-E417 HydrophobicContact CB-CB 4.03Å; K317-E417 HydrophobicContact CD-CB 4.28Å
318	I	81.3	Confident	80.7	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.015	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-38.3	176.9	-66.5	-179.8	0	0	0	111	Y308 Y399 E417 S420	Y308-I318 HydrophobicContact CE2-CG2 3.89Å; Y308-I318 PolarHBondContact OH-O 3.46Å; Y308-I318 VanDerWaalsContact OH-O 3.1Å; I318-Y399 HydrophobicContact CD1-CD2 4.44Å; I318-Y399 HydrophobicContact CD1-CE1 4.11Å; I318-Y399 HydrophobicContact CD1-CE2 3.88Å; I318-E417 HydrophobicContact CG1-CB 4.41Å; I318-S420 WeakPolarHBondContact CG2-OG 3.41Å; I318-S420 WeakPolarHBondContact O-CB 3.32Å; I318-S420 PolarHBondContact O-OG 3.24Å; I318-S420 VanDerWaalsContact O-OG 3.14Å
319	C	78.3	Confident	80.8	Confident	39 Å²	39	67 Å²	67	26%	0.264	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	16.1	-172.9	-49.5	0	0	0	0	113.8	Y308 C312 K316 K317 I321	Y308-C319 VanDerWaalsContact CE1-SG 3.59Å; C312-C319 WeakPolarHBondContact CA-SG 3.18Å; C312-C319 HydrophobicContact CB-CB 3.65Å; C312-C319 WeakPolarHBondContact CB-SG 3.47Å; C312-C319 WeakPolarHBondContact SG-CB 2.95Å; C312-C319 CovalentContact SG-SG 2.01Å; C312-C319 PolarHBondContact SG-SG 3.32Å; K316-C319 CarbonylContact O-C 3.48Å; K316-C319 PolarHBondContact O-N 3.14Å; K317-C319 PolarHBondContact O-N 3.34Å; K317-C319 VanDerWaalsContact O-N 3.14Å; C319-I321 PolarHBondContact O-N 3.44Å
320	S	63.5	Low	80.9	Confident	89 Å²	89	63.1 Å²	63.1	62%	0.622	35%	0.349	S	S	*	.			trans	-68.6	13.4	-173.3	56.3	0	0	0	0	114.9	K316 K317	K316-S320 WeakPolarHBondContact O-CA 3.36Å; K316-S320 WeakPolarHBondContact O-CB 3.44Å; K316-S320 PolarHBondContact O-N 2.93Å; K317-S320 PolarHBondContact O-N 3.03Å; K317-S320 PolarHBondContact O-OG 3.3Å
321	I	64.1	Low	81.2	Confident	52 Å²	52	66.1 Å²	66.1	27%	0.267	36%	0.359	S	S	.	.			trans	-122.1	112.4	-164.3	-63.7	164.5	0	0	0	109.2	C319	C319-I321 PolarHBondContact O-N 3.44Å
322	S	60.8	Low	81.4	Confident	126 Å²	126	68 Å²	68	88%	0.881	37%	0.365	S	S	*	.			trans	-92.9	-19.6	-171.9	57.2	0	0	0	0	115.2
323	S	67.1	Low	81.6	Confident	62 Å²	62	71 Å²	71	43%	0.434	39%	0.387	S	S	.	.	S	Bend	trans	-75	141.8	-174.3	28.7	0	0	0	0	112.2	R424	S323-R424 VanDerWaalsContact C-NH2 3.35Å; S323-R424 VanDerWaalsContact CB-NH2 3.28Å; S323-R424 PolarHBondContact O-NH2 2.61Å; S323-R424 PolarHBondContact OG-NH1 3.05Å; S323-R424 PolarHBondContact OG-NH2 2.95Å
324	P	73.5	Confident	81.9	Confident	72 Å²	72	65.2 Å²	65.2	47%	0.468	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-59.7	150.3	175.9	25	-33.1	0	0	0	110.9	S326 S896	P324-S326 PolarHBondContact O-N 3.35Å; P324-S896 WeakPolarHBondContact CG-O 3.36Å
325	L	83.1	Confident	82.3	Confident	35 Å²	35	62.4 Å²	62.4	18%	0.183	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-78.1	120.9	179.9	-69.1	160.6	0	0	0	109.6	A453 N454 G899	L325-A453 WeakPolarHBondContact CD1-O 3.49Å; L325-N454 WeakPolarHBondContact CD2-O 3.45Å; L325-G899 VanDerWaalsContact O-CA 3.28Å; L325-G899 WeakPolarHBondContact O-CA 3.42Å
326	S	89.2	Confident	82.8	Confident	64 Å²	64	62.4 Å²	62.4	45%	0.448	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-81.5	141.3	171.3	71	0	0	0	0	110.8	P324 L328 R508 G899	P324-S326 PolarHBondContact O-N 3.35Å; S326-L328 WeakPolarHBondContact CB-O 3.2Å; S326-L328 PolarHBondContact OG-O 2.97Å; S326-R508 PolarHBondContact O-NH2 2.93Å; S326-G899 VanDerWaalsContact CA-O 3.25Å; S326-G899 WeakPolarHBondContact CA-O 3.4Å
327	L	90.6	Very high	83.7	Confident	7 Å²	7	53.7 Å²	53.7	4%	0.037	32%	0.315	C	S	.	.			trans	-81.8	-27.4	170.4	-64	-175.4	0	0	0	112.2	P329 V505 R508 R509 Q512 G899 Y900	L327-P329 CarbonylContact O-C 3.32Å; L327-V505 HydrophobicContact CB-CG1 4.31Å; L327-R508 HydrophobicContact CD2-CB 3.98Å; L327-R509 HydrophobicContact CD1-CB 3.8Å; L327-R509 HydrophobicContact CD1-CG 3.96Å; L327-Q512 HydrophobicContact CD2-CG 4.39Å; L327-G899 PolarHBondContact N-O 3.24Å; L327-Y900 HydrophobicContact CB-CG 4.5Å; L327-Y900 HydrophobicContact CD1-CD1 3.49Å; L327-Y900 VanDerWaalsContact CD1-CD1 3.49Å; L327-Y900 HydrophobicContact CD1-CD2 4.18Å; L327-Y900 HydrophobicContact CD1-CE1 3.76Å; L327-Y900 HydrophobicContact CD1-CE2 4.39Å; L327-Y900 HydrophobicContact CD1-CG 3.72Å; L327-Y900 HydrophobicContact CG-CD1 4.17Å; L327-Y900 HydrophobicContact CG-CG 4.34Å
328	L	91.2	Very high	84.4	Confident	102 Å²	102	47.6 Å²	47.6	53%	0.534	29%	0.289	S	S	.	.			trans	-107.7	143.7	179.2	-65.9	173.6	0	0	0	111.7	S326 V505	S326-L328 WeakPolarHBondContact CB-O 3.2Å; S326-L328 PolarHBondContact OG-O 2.97Å; L328-V505 HydrophobicContact CD2-CG2 3.62Å
329	P	91.2	Very high	85	Confident	84 Å²	84	48 Å²	48	55%	0.545	29%	0.291	S	S	.	.	S	Bend	cis	-63.3	150.4	-9.8	29.1	-35.5	0	0	0	111.8	L327 R331 R508	L327-P329 CarbonylContact O-C 3.32Å; P329-R331 WeakPolarHBondContact CB-O 3.5Å; P329-R331 VanDerWaalsContact CG-O 3.29Å; P329-R331 WeakPolarHBondContact CG-O 3.31Å; P329-R331 PolarHBondContact O-N 3.01Å; P329-R508 PolarHBondContact O-NH1 2.92Å; P329-R508 VanDerWaalsContact O-NH1 3.17Å
330	G	88.3	Confident	85.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.279	C	S	.	.	S	Bend	trans	-62.4	-37.3	179.3	0	0	0	0	0	110.7	E501 I504 R508	G330-E501 PolarHBondContact N-OE1 3.3Å; G330-I504 WeakPolarHBondContact O-CG2 3.49Å; G330-R508 PolarHBondContact O-NH1 2.87Å
331	R	93.2	Very high	87	Confident	87 Å²	87	42 Å²	42	33%	0.328	25%	0.249	S	C	.	.	S	Bend	trans	-95.4	133.1	172.9	-62.5	179	-178.1	-90.9	10.7	110.9	P329 Q497 L499 I504	P329-R331 WeakPolarHBondContact CB-O 3.5Å; P329-R331 VanDerWaalsContact CG-O 3.29Å; P329-R331 WeakPolarHBondContact CG-O 3.31Å; P329-R331 PolarHBondContact O-N 3.01Å; R331-Q497 PolarHBondContact NH2-O 3.48Å; R331-L499 PolarHBondContact NH2-O 2.96Å; R331-I504 HydrophobicContact CG-CD1 3.88Å
332	R	92.1	Very high	88.1	Confident	40 Å²	40	40.1 Å²	40.1	15%	0.151	24%	0.24	C	C	.	.			trans	-104.8	175.1	178	-51.1	-170.2	-171.6	158.2	-23.9	111	L334 L423 R424 K425 S426 T427 N454 G455 R508	R332-L334 VanDerWaalsContact C-N 3.26Å; R332-L334 PolarHBondContact O-N 2.97Å; R332-L423 PolarHBondContact NH1-O 3.45Å; R332-R424 WeakPolarHBondContact CD-O 3.48Å; R332-R424 PolarHBondContact NH1-O 3.07Å; R332-K425 WeakPolarHBondContact CB-O 3.44Å; R332-S426 VanDerWaalsContact CD-O 3.3Å; R332-S426 WeakPolarHBondContact CD-O 3.2Å; R332-S426 PolarHBondContact NH1-O 2.77Å; R332-T427 PolarHBondContact N-OG1 3.32Å; R332-N454 PolarHBondContact NH1-O 2.82Å; R332-N454 PolarHBondContact NH2-O 3.05Å; R332-G455 VanDerWaalsContact NH2-C 3.34Å; R332-G455 PolarHBondContact NH2-O 3.41Å; R332-R508 VanDerWaalsContact CZ-NH2 3.3Å
333	S	91	Very high	88.9	Confident	92 Å²	92	34.8 Å²	34.8	64%	0.643	20%	0.201	S	C	*	.	S	Bend	trans	-58.6	-34.4	-176.4	55.3	0	0	0	0	113.9	K425	S333-K425 PolarHBondContact N-O 2.75Å; S333-K425 PolarHBondContact OG-O 2.94Å
334	L	93.2	Very high	89.2	Confident	22 Å²	22	34.4 Å²	34.4	12%	0.115	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	134.3	171.1	-64.2	172.9	0	0	0	109.2	R332 S378 F379 L422 K425 S426 T427	R332-L334 VanDerWaalsContact C-N 3.26Å; R332-L334 PolarHBondContact O-N 2.97Å; L334-S378 WeakPolarHBondContact CD2-O 3.38Å; L334-F379 CarbonylContact C-O 3.51Å; L334-L422 HydrophobicContact CD1-CD2 4.48Å; L334-K425 HydrophobicContact CD1-CB 4.08Å; L334-K425 HydrophobicContact CG-CB 4.39Å; L334-K425 PolarHBondContact N-O 3.43Å; L334-S426 WeakPolarHBondContact CB-OG 3.25Å; L334-S426 CarbonylContact O-C 3.54Å; L334-S426 WeakPolarHBondContact O-CA 3.3Å; L334-T427 PolarHBondContact O-N 3.36Å; L334-T427 PolarHBondContact O-OG1 3.04Å
335	L	93.8	Very high	88.8	Confident	15 Å²	15	36 Å²	36	8%	0.079	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-59.7	169.6	179.9	69	0	0	0	108.9	F379 F428 P493 L496 Q497	L335-F379 HydrophobicContact CB-CD2 3.84Å; L335-F379 WeakPolarHBondContact CB-O 3.41Å; L335-F379 HydrophobicContact CD2-CD2 4.01Å; L335-F379 HydrophobicContact CD2-CE2 4.09Å; L335-F379 PolarHBondContact N-O 3.49Å; L335-F428 HydrophobicContact CD1-CD2 3.93Å; L335-F428 HydrophobicContact CD1-CE2 3.91Å; L335-F428 HydrophobicContact CG-CD2 4.39Å; L335-F428 WeakPolarHBondContact O-CB 3.36Å; L335-F428 VanDerWaalsContact O-CD2 3.26Å; L335-F428 WeakPolarHBondContact O-CD2 3.41Å; L335-F428 PolarHBondContact O-N 2.98Å; L335-P493 HydrophobicContact CD2-CB 4.29Å; L335-L496 HydrophobicContact CD1-CB 4.27Å; L335-Q497 HydrophobicContact CD1-CG 3.98Å; L335-Q497 HydrophobicContact CD2-CG 3.87Å
336	L	95.4	Very high	87.9	Confident	2 Å²	2	36 Å²	36	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133.5	-171.5	-178.8	69.1	0	0	0	110	F379 I380 S381 F428 L430 L492 L496	L336-F379 PolarHBondContact N-O 3.03Å; L336-I380 HydrophobicContact CB-CG1 4.46Å; L336-I380 WeakPolarHBondContact O-CA 3.25Å; L336-S381 PolarHBondContact O-N 3.03Å; L336-F428 WeakPolarHBondContact CA-O 3.33Å; L336-F428 HydrophobicContact CD1-CB 3.7Å; L336-L430 HydrophobicContact CD1-CB 4.09Å; L336-L430 HydrophobicContact CD1-CD1 4.3Å; L336-L430 HydrophobicContact CD2-CD1 4.37Å; L336-L492 HydrophobicContact CD2-CD2 3.57Å; L336-L492 HydrophobicContact CD2-CG 4.28Å; L336-L496 HydrophobicContact CB-CD1 4.37Å; L336-L496 HydrophobicContact CD1-CD1 4.03Å; L336-L496 HydrophobicContact CD2-CD1 4.33Å; L336-L496 HydrophobicContact CG-CD1 4.49Å
337	S	95.5	Very high	86.3	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.6	168.3	59.1	0	0	0	0	112.7	S381 S426 F428 L430	S337-S381 CarbonylContact C-O 3.53Å; S337-S381 VanDerWaalsContact CA-O 3.22Å; S337-S381 WeakPolarHBondContact CA-O 3.34Å; S337-S426 WeakPolarHBondContact CB-OG 3.28Å; S337-S426 VanDerWaalsContact OG-CB 3.3Å; S337-S426 WeakPolarHBondContact OG-CB 3.35Å; S337-S426 PolarHBondContact OG-OG 2.53Å; S337-F428 PolarHBondContact N-O 3.34Å; S337-F428 VanDerWaalsContact N-O 3.08Å; S337-L430 PolarHBondContact O-N 3.24Å
338	F	95.2	Very high	84.4	Confident	5 Å²	5	50.7 Å²	50.7	2%	0.022	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	109.8	173	-171.7	-133.2	0	0	0	110	V340 S381 I382 S383 I384 W413 L430 M432	F338-V340 HydrophobicContact CD1-CG2 4.25Å; F338-V340 HydrophobicContact CD2-CG1 3.94Å; F338-V340 HydrophobicContact CE1-CG2 3.64Å; F338-V340 HydrophobicContact CE2-CB 4.39Å; F338-V340 HydrophobicContact CE2-CG1 3.45Å; F338-V340 VanDerWaalsContact CE2-CG1 3.45Å; F338-V340 HydrophobicContact CE2-CG2 3.99Å; F338-V340 HydrophobicContact CZ-CB 4.34Å; F338-V340 HydrophobicContact CZ-CG1 3.85Å; F338-V340 HydrophobicContact CZ-CG2 3.51Å; F338-S381 PolarHBondContact N-O 3.01Å; F338-I382 HydrophobicContact CB-CG1 4.21Å; F338-I382 HydrophobicContact CB-CG2 4.44Å; F338-I382 HydrophobicContact CD1-CG2 4.22Å; F338-I382 CarbonylContact O-C 3.39Å; F338-I382 WeakPolarHBondContact O-CA 3.16Å; F338-S383 PolarHBondContact O-N 3.41Å; F338-I384 HydrophobicContact CD1-CD1 4.2Å; F338-I384 HydrophobicContact CD1-CG1 3.99Å; F338-I384 HydrophobicContact CE1-CD1 3.93Å; F338-I384 HydrophobicContact CE1-CG1 3.88Å; F338-W413 HydrophobicContact CE1-CE3 4.17Å; F338-W413 AromaticContact CE1-CZ3 3.89Å; F338-W413 HydrophobicContact CE1-CZ3 3.89Å; F338-W413 AromaticContact CZ-CE3 3.73Å; F338-W413 HydrophobicContact CZ-CE3 3.73Å; F338-W413 AromaticContact CZ-CZ3 3.85Å; F338-W413 HydrophobicContact CZ-CZ3 3.85Å; F338-L430 HydrophobicContact CB-CB 3.71Å; F338-L430 HydrophobicContact CB-CD2 4.01Å; F338-L430 HydrophobicContact CD1-CD2 3.73Å; F338-L430 HydrophobicContact CD2-CB 3.62Å; F338-L430 HydrophobicContact CD2-CD2 4.11Å; F338-L430 HydrophobicContact CD2-CG 4.23Å; F338-L430 VanDerWaalsContact CD2-O 3.26Å; F338-L430 WeakPolarHBondContact CD2-O 3.49Å; F338-L430 HydrophobicContact CE1-CD2 4.11Å; F338-L430 HydrophobicContact CE2-CB 4.32Å; F338-L430 HydrophobicContact CE2-CD2 4.45Å; F338-L430 HydrophobicContact CG-CB 3.77Å; F338-L430 HydrophobicContact CG-CD2 3.7Å; F338-L430 HydrophobicContact CG-CG 4.26Å; F338-L430 HydrophobicContact CZ-CD2 4.43Å; F338-M432 HydrophobicContact CE1-CE 4.33Å; F338-M432 HydrophobicContact CZ-CB 4Å
339	N	94.2	Very high	82.5	Confident	11 Å²	11	46.5 Å²	46.5	6%	0.059	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	105.1	178.4	-174.8	7	0	0	0	110.2	S383 N385 P415 C416 D418 L422	N339-S383 WeakPolarHBondContact CA-O 3.41Å; N339-N385 PolarHBondContact OD1-ND2 2.74Å; N339-P415 WeakPolarHBondContact O-CA 3.41Å; N339-C416 PolarHBondContact O-N 2.92Å; N339-C416 VanDerWaalsContact O-N 3.14Å; N339-C416 PolarHBondContact OD1-SG 2.98Å; N339-D418 PolarHBondContact ND2-OD1 3.42Å; N339-D418 PolarHBondContact ND2-OD2 2.7Å; N339-L422 HydrophobicContact CB-CD1 3.76Å
340	V	93.2	Very high	80.7	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149	-172	-65.2	0	0	0	0	111.8	F338 S383 I384 N385 W413 F414 Q447	F338-V340 HydrophobicContact CD1-CG2 4.25Å; F338-V340 HydrophobicContact CD2-CG1 3.94Å; F338-V340 HydrophobicContact CE1-CG2 3.64Å; F338-V340 HydrophobicContact CE2-CB 4.39Å; F338-V340 HydrophobicContact CE2-CG1 3.45Å; F338-V340 VanDerWaalsContact CE2-CG1 3.45Å; F338-V340 HydrophobicContact CE2-CG2 3.99Å; F338-V340 HydrophobicContact CZ-CB 4.34Å; F338-V340 HydrophobicContact CZ-CG1 3.85Å; F338-V340 HydrophobicContact CZ-CG2 3.51Å; V340-S383 PolarHBondContact N-O 2.78Å; V340-I384 HydrophobicContact CG2-CG1 4.24Å; V340-I384 HydrophobicContact CG2-CG2 4.42Å; V340-N385 PolarHBondContact O-N 2.84Å; V340-W413 HydrophobicContact CG2-CE3 4.07Å; V340-F414 CarbonylContact C-O 3.15Å; V340-F414 VanDerWaalsContact CA-O 3.25Å; V340-F414 WeakPolarHBondContact CA-O 3.26Å; V340-F414 WeakPolarHBondContact CB-O 3.33Å; V340-Q447 HydrophobicContact CG1-CG 4.43Å
341	G	90.9	Very high	79.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	145.2	165.2	0	0	0	0	0	111	N385 W395 F414	G341-N385 WeakPolarHBondContact CA-O 3.16Å; G341-W395 VanDerWaalsContact C-CH2 3.48Å; G341-W395 VanDerWaalsContact CA-CZ2 3.47Å; G341-W395 WeakPolarHBondContact O-CH2 3.29Å; G341-W395 VanDerWaalsContact O-CZ2 3.29Å; G341-W395 WeakPolarHBondContact O-CZ2 3.45Å; G341-F414 PolarHBondContact N-O 3.43Å; G341-F414 PolarHBondContact O-N 3.34Å
342	I	86.6	Confident	78	Confident	12 Å²	12	53.3 Å²	53.3	6%	0.062	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	114.5	175.6	-55.1	-173.5	0	0	0	109.2	S344 I384 N385 K386 W413	I342-S344 PolarHBondContact O-N 2.94Å; I342-S344 VanDerWaalsContact O-N 3.16Å; I342-I384 HydrophobicContact CD1-CG2 4.11Å; I342-I384 HydrophobicContact CG1-CG2 4.43Å; I342-N385 PolarHBondContact N-O 2.93Å; I342-N385 VanDerWaalsContact N-O 3.07Å; I342-K386 HydrophobicContact CD1-CD 3.98Å; I342-K386 HydrophobicContact CD1-CG 3.89Å; I342-K386 HydrophobicContact CG1-CG 4.36Å; I342-W413 HydrophobicContact CD1-CD2 4.28Å; I342-W413 HydrophobicContact CD1-CZ2 4.04Å; I342-W413 HydrophobicContact CG1-CD2 4.27Å; I342-W413 HydrophobicContact CG1-CG 4.12Å
343	L	78.6	Confident	77	Confident	14 Å²	14	53.9 Å²	53.9	7%	0.073	28%	0.279	C	S	.	.			trans	-86.1	85.8	176.4	-174.7	68	0	0	0	109.2	W395 L403 D412 F414	L343-W395 HydrophobicContact CB-CH2 3.94Å; L343-W395 HydrophobicContact CB-CZ3 4.08Å; L343-W395 HydrophobicContact CD1-CZ3 3.96Å; L343-L403 HydrophobicContact CD2-CB 4.2Å; L343-D412 PolarHBondContact N-O 2.81Å; L343-F414 HydrophobicContact CB-CD2 3.99Å; L343-F414 HydrophobicContact CB-CE2 4.04Å; L343-F414 HydrophobicContact CD2-CE2 4.16Å
344	S	72.8	Confident	76.1	Confident	53 Å²	53	54.2 Å²	54.2	37%	0.371	28%	0.281	S	S	.	.			trans	-88.6	121.1	177	-176.6	0	0	0	0	111.4	I342 S346 A349 D410	I342-S344 PolarHBondContact O-N 2.94Å; I342-S344 VanDerWaalsContact O-N 3.16Å; S344-S346 PolarHBondContact OG-O 2.93Å; S344-A349 WeakPolarHBondContact OG-CB 3.23Å; S344-D410 WeakPolarHBondContact CA-O 3.41Å
345	K	66	Low	75.1	Confident	106 Å²	106	56.2 Å²	56.2	46%	0.461	29%	0.292	S	S	.	.			trans	-91.1	-24.6	174.8	-61.6	-176.7	-174.8	174.6	0	113.1	S407 D410	K345-S407 PolarHBondContact NZ-O 3.06Å; K345-D410 WeakPolarHBondContact CB-OD1 3.42Å
346	S	63	Low	74.4	Confident	36 Å²	36	56.1 Å²	56.1	25%	0.252	29%	0.291	S	S	.	.	S	Bend	trans	-121.4	142.3	-177.8	68.4	0	0	0	0	111.9	S344 L348 A349 D410	S344-S346 PolarHBondContact OG-O 2.93Å; S346-L348 PolarHBondContact O-N 2.78Å; S346-A349 WeakPolarHBondContact O-CB 3.39Å; S346-A349 PolarHBondContact O-N 3.03Å; S346-A349 VanDerWaalsContact O-N 3.13Å; S346-A349 PolarHBondContact OG-N 2.85Å; S346-D410 PolarHBondContact OG-OD2 2.71Å; S346-D410 VanDerWaalsContact OG-OD2 3.11Å
347	R	56	Low	73.9	Confident	233 Å²	233	58.9 Å²	58.9	88%	0.879	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-59.7	-29.5	174.5	-67.1	-174.9	-174.2	175.8	1.2	112.3	A349 Q350	R347-A349 VanDerWaalsContact C-N 3.27Å; R347-A349 PolarHBondContact O-N 2.92Å; R347-Q350 PolarHBondContact O-N 2.78Å
348	L	50.9	Low	73.4	Confident	146 Å²	146	63.8 Å²	63.8	76%	0.764	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-66.8	-25.1	178.7	-72.4	161	0	0	0	113.2	S346 Q350 N351	S346-L348 PolarHBondContact O-N 2.78Å; L348-Q350 PolarHBondContact O-N 3.25Å; L348-Q350 VanDerWaalsContact O-N 3.14Å; L348-N351 PolarHBondContact O-N 2.88Å
349	A	51.3	Low	73.2	Confident	14 Å²	14	63.7 Å²	63.7	12%	0.116	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-67.9	-7.6	179.5	0	0	0	0	0	114.1	S344 S346 R347 N351 D410 T411	S344-A349 WeakPolarHBondContact OG-CB 3.23Å; S346-A349 WeakPolarHBondContact O-CB 3.39Å; S346-A349 PolarHBondContact O-N 3.03Å; S346-A349 VanDerWaalsContact O-N 3.13Å; S346-A349 PolarHBondContact OG-N 2.85Å; R347-A349 VanDerWaalsContact C-N 3.27Å; R347-A349 PolarHBondContact O-N 2.92Å; A349-N351 PolarHBondContact O-N 3.23Å; A349-D410 HydrophobicContact CB-CB 4.41Å; A349-T411 HydrophobicContact CB-CG2 3.57Å
350	Q	54.7	Low	72.9	Confident	145 Å²	145	63.5 Å²	63.5	68%	0.678	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-70.4	-16.6	174.1	-66.8	-175.1	-11.1	0	0	113.2	R347 L348 H352	R347-Q350 PolarHBondContact O-N 2.78Å; L348-Q350 PolarHBondContact O-N 3.25Å; L348-Q350 VanDerWaalsContact O-N 3.14Å; Q350-H352 VanDerWaalsContact C-N 3.32Å; Q350-H352 PolarHBondContact O-N 3.45Å
351	N	59.2	Low	72.8	Confident	145 Å²	145	68.9 Å²	68.9	78%	0.775	36%	0.355	S	S	*	.			trans	-81	77.1	175.1	-75.3	-6.1	0	0	0	111	L348 A349	L348-N351 PolarHBondContact O-N 2.88Å; A349-N351 PolarHBondContact O-N 3.23Å
352	H	64.4	Low	72.8	Confident	24 Å²	24	70.5 Å²	70.5	11%	0.111	36%	0.363	C	S	.	.			trans	-63.4	158.6	164.6	-64.5	-61.8	0	0	0	111	Q350 D356 K386 W413	Q350-H352 VanDerWaalsContact C-N 3.32Å; Q350-H352 PolarHBondContact O-N 3.45Å; H352-D356 HydrophobicContact CB-CB 4.05Å; H352-K386 PolarHBondContact CD2-NZ 3.16Å; H352-K386 PolarHBondContact NE2-NZ 3.22Å; H352-W413 AromaticContact CE1-NE1 3.98Å
353	S	70.7	Confident	73	Confident	52 Å²	52	69.9 Å²	69.9	36%	0.364	36%	0.36	S	S	.	.			trans	-61	151.3	171.7	74.1	0	0	0	0	110.4	L355 D356 N357	S353-L355 PolarHBondContact O-N 2.91Å; S353-L355 VanDerWaalsContact O-N 3.15Å; S353-D356 WeakPolarHBondContact CB-OD2 3.11Å; S353-D356 PolarHBondContact O-N 3.38Å; S353-D356 PolarHBondContact OG-N 3.14Å; S353-D356 VanDerWaalsContact OG-N 3.16Å; S353-D356 PolarHBondContact OG-OD2 3.22Å; S353-N357 PolarHBondContact O-N 3.32Å; S353-N357 VanDerWaalsContact O-N 3.11Å
354	S	72.2	Confident	73.6	Confident	98 Å²	98	74.3 Å²	74.3	69%	0.685	38%	0.378	S	S	*	.	H	α-helix	trans	-52.6	-37.1	175.7	52.9	0	0	0	0	111.7	N357 L358	S354-N357 PolarHBondContact O-N 3.07Å; S354-L358 WeakPolarHBondContact O-CG 3.13Å; S354-L358 PolarHBondContact O-N 2.81Å
355	L	72.5	Confident	74.5	Confident	65 Å²	65	76.6 Å²	76.6	34%	0.34	39%	0.385	S	S	.	.	H	α-helix	trans	-68.2	-40.5	177.5	-173.5	63.6	0	0	0	113.1	S353 N357 L358 V359 R486	S353-L355 PolarHBondContact O-N 2.91Å; S353-L355 VanDerWaalsContact O-N 3.15Å; L355-N357 VanDerWaalsContact C-N 3.31Å; L355-N357 PolarHBondContact O-N 3Å; L355-L358 PolarHBondContact O-N 3.34Å; L355-V359 VanDerWaalsContact O-CG2 3.27Å; L355-V359 WeakPolarHBondContact O-CG2 3.32Å; L355-V359 PolarHBondContact O-N 3.4Å; L355-R486 HydrophobicContact CD2-CB 4.04Å; L355-R486 HydrophobicContact CG-CB 4.26Å
356	D	80.4	Confident	75.6	Confident	12 Å²	12	72.5 Å²	72.5	6%	0.064	37%	0.368	C	S	.	.	H	α-helix	trans	-65.6	-37.7	177.1	-64	-42.3	0	0	0	111	H352 S353 V359 I360 R486	H352-D356 HydrophobicContact CB-CB 4.05Å; S353-D356 WeakPolarHBondContact CB-OD2 3.11Å; S353-D356 PolarHBondContact O-N 3.38Å; S353-D356 PolarHBondContact OG-N 3.14Å; S353-D356 VanDerWaalsContact OG-N 3.16Å; S353-D356 PolarHBondContact OG-OD2 3.22Å; D356-V359 PolarHBondContact O-N 3.46Å; D356-I360 WeakPolarHBondContact O-CD1 3.5Å; D356-I360 WeakPolarHBondContact O-CG1 3.44Å; D356-I360 PolarHBondContact O-N 2.78Å; D356-R486 IonicContact OD1-CZ 3.45Å; D356-R486 IonicContact OD1-NE 3.87Å; D356-R486 IonicContact OD1-NH1 3.27Å; D356-R486 PolarHBondContact OD1-NH1 3.03Å; D356-R486 IonicContact OD1-NH2 3.66Å; D356-R486 PolarHBondContact OD1-NH2 2.83Å
357	N	83.4	Confident	76.8	Confident	61 Å²	61	72 Å²	72	33%	0.326	36%	0.362	S	S	.	.	H	α-helix	trans	-64.1	-44.6	174.7	-73	-29.7	0	0	0	111.7	S353 S354 L355 V359 I360 E361	S353-N357 PolarHBondContact O-N 3.32Å; S353-N357 VanDerWaalsContact O-N 3.11Å; S354-N357 PolarHBondContact O-N 3.07Å; L355-N357 VanDerWaalsContact C-N 3.31Å; L355-N357 PolarHBondContact O-N 3Å; N357-V359 VanDerWaalsContact C-N 3.33Å; N357-V359 PolarHBondContact O-N 3.43Å; N357-I360 PolarHBondContact O-N 2.84Å; N357-E361 WeakPolarHBondContact O-CG 3.46Å; N357-E361 PolarHBondContact O-N 3.37Å
358	L	86.4	Confident	78.4	Confident	105 Å²	105	65.2 Å²	65.2	55%	0.55	34%	0.343	S	S	.	.	H	α-helix	trans	-58.5	-43.9	174.4	-74.4	169.4	0	0	0	112	S354 L355 I360 E361 H362	S354-L358 WeakPolarHBondContact O-CG 3.13Å; S354-L358 PolarHBondContact O-N 2.81Å; L355-L358 PolarHBondContact O-N 3.34Å; L358-I360 PolarHBondContact O-N 3.17Å; L358-E361 PolarHBondContact O-N 3.24Å; L358-H362 WeakPolarHBondContact O-CB 3.36Å; L358-H362 PolarHBondContact O-N 3.37Å
359	V	89.1	Confident	80.1	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.012	32%	0.324	C	S	.	.	H	α-helix	trans	-62.4	-44.2	176.6	171.6	0	0	0	0	110.9	L355 D356 N357 H362 L363 M432 I461 R486 V489	L355-V359 VanDerWaalsContact O-CG2 3.27Å; L355-V359 WeakPolarHBondContact O-CG2 3.32Å; L355-V359 PolarHBondContact O-N 3.4Å; D356-V359 PolarHBondContact O-N 3.46Å; N357-V359 VanDerWaalsContact C-N 3.33Å; N357-V359 PolarHBondContact O-N 3.43Å; V359-H362 PolarHBondContact O-N 2.87Å; V359-L363 HydrophobicContact CG1-CD1 3.99Å; V359-L363 HydrophobicContact CG1-CG 4.38Å; V359-L363 WeakPolarHBondContact O-CB 3.45Å; V359-L363 VanDerWaalsContact O-CG 3.23Å; V359-L363 WeakPolarHBondContact O-CG 3.29Å; V359-L363 PolarHBondContact O-N 3.19Å; V359-M432 HydrophobicContact CG1-CE 3.92Å; V359-M432 HydrophobicContact CG1-SD 3.61Å; V359-I461 HydrophobicContact CG1-CG2 4.06Å; V359-R486 HydrophobicContact CG2-CB 3.92Å; V359-R486 HydrophobicContact CG2-CG 4.1Å; V359-V489 HydrophobicContact CG1-CG2 4.26Å; V359-V489 HydrophobicContact CG2-CG1 4.42Å
360	I	88.6	Confident	81.6	Confident	8 Å²	8	61 Å²	61	4%	0.041	32%	0.32	C	S	.	.	H	α-helix	trans	-62	-44	177	-69.8	164.8	0	0	0	111.3	D356 N357 L358 L363 K364 I384 W413 M432	D356-I360 WeakPolarHBondContact O-CD1 3.5Å; D356-I360 WeakPolarHBondContact O-CG1 3.44Å; D356-I360 PolarHBondContact O-N 2.78Å; N357-I360 PolarHBondContact O-N 2.84Å; L358-I360 PolarHBondContact O-N 3.17Å; I360-L363 PolarHBondContact O-N 3.33Å; I360-K364 HydrophobicContact CG2-CD 4.32Å; I360-K364 WeakPolarHBondContact O-CG 3.49Å; I360-K364 PolarHBondContact O-N 3.01Å; I360-I384 HydrophobicContact CG1-CD1 4.2Å; I360-I384 HydrophobicContact CG2-CD1 4.05Å; I360-W413 HydrophobicContact CD1-CH2 3.73Å; I360-W413 HydrophobicContact CD1-CZ2 4.08Å; I360-W413 HydrophobicContact CG1-CH2 3.88Å; I360-M432 HydrophobicContact CG1-CE 4.44Å
361	E	90.6	Very high	82.8	Confident	115 Å²	115	59 Å²	59	54%	0.537	31%	0.31	S	S	.	.	H	α-helix	trans	-60.1	-47.2	176.8	-76.6	178.4	178.6	0	0	110.9	N357 L358 L363 K364 M365	N357-E361 WeakPolarHBondContact O-CG 3.46Å; N357-E361 PolarHBondContact O-N 3.37Å; L358-E361 PolarHBondContact O-N 3.24Å; E361-L363 PolarHBondContact O-N 2.95Å; E361-K364 WeakPolarHBondContact O-CB 3.12Å; E361-K364 PolarHBondContact O-N 2.96Å; E361-M365 WeakPolarHBondContact O-CG 3.42Å; E361-M365 PolarHBondContact O-N 3.26Å
362	H	91.3	Very high	83.6	Confident	34 Å²	34	59.8 Å²	59.8	16%	0.157	31%	0.307	C	S	.	.	H	α-helix	trans	-64.8	-40.8	179.8	-148.1	91.1	0	0	0	112.1	L358 V359 K364 M365 L366 V489 E490	L358-H362 WeakPolarHBondContact O-CB 3.36Å; L358-H362 PolarHBondContact O-N 3.37Å; V359-H362 PolarHBondContact O-N 2.87Å; H362-K364 VanDerWaalsContact C-N 3.33Å; H362-K364 PolarHBondContact O-N 2.98Å; H362-M365 WeakPolarHBondContact O-CB 3.49Å; H362-M365 PolarHBondContact O-N 3.19Å; H362-M365 VanDerWaalsContact O-N 3.16Å; H362-L366 WeakPolarHBondContact O-CG 3.2Å; H362-L366 PolarHBondContact O-N 2.81Å; H362-V489 HydrophobicContact CB-CG1 3.86Å; H362-E490 WeakPolarHBondContact CE1-CG 3.39Å; H362-E490 IonicContact CE1-OE1 2.67Å; H362-E490 PolarHBondContact CE1-OE1 2.87Å; H362-E490 VanDerWaalsContact CE1-OE1 3.23Å; H362-E490 IonicContact ND1-OE1 2.64Å; H362-E490 PolarHBondContact ND1-OE1 3.43Å; H362-E490 WeakPolarHBondContact NE2-CA 3.18Å; H362-E490 VanDerWaalsContact NE2-CB 3.32Å; H362-E490 WeakPolarHBondContact NE2-CB 3.45Å; H362-E490 WeakPolarHBondContact NE2-CG 3.36Å
363	L	91.5	Very high	83.8	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60.6	-40.8	174	-74.2	174.3	0	0	0	112	V359 I360 E361 M365 L366 D367 I382 L430 M432 V489 L492	V359-L363 HydrophobicContact CG1-CD1 3.99Å; V359-L363 HydrophobicContact CG1-CG 4.38Å; V359-L363 WeakPolarHBondContact O-CB 3.45Å; V359-L363 VanDerWaalsContact O-CG 3.23Å; V359-L363 WeakPolarHBondContact O-CG 3.29Å; V359-L363 PolarHBondContact O-N 3.19Å; I360-L363 PolarHBondContact O-N 3.33Å; E361-L363 PolarHBondContact O-N 2.95Å; L363-M365 VanDerWaalsContact C-N 3.35Å; L363-L366 HydrophobicContact CD2-CD1 4.49Å; L363-L366 PolarHBondContact O-N 2.79Å; L363-D367 PolarHBondContact O-N 3.12Å; L363-D367 VanDerWaalsContact O-N 3.16Å; L363-I382 HydrophobicContact CB-CD1 4.07Å; L363-I382 HydrophobicContact CB-CG2 4.26Å; L363-I382 HydrophobicContact CD2-CD1 3.99Å; L363-I382 WeakPolarHBondContact O-CD1 3.39Å; L363-L430 HydrophobicContact CD1-CD2 3.66Å; L363-L430 HydrophobicContact CD2-CD2 3.77Å; L363-L430 HydrophobicContact CG-CD2 4.39Å; L363-M432 HydrophobicContact CD1-CE 3.67Å; L363-V489 HydrophobicContact CD2-CG2 3.91Å; L363-V489 HydrophobicContact CG-CG2 4.21Å; L363-L492 HydrophobicContact CD2-CD2 4.3Å
364	K	90.9	Very high	83.3	Confident	106 Å²	106	67.5 Å²	67.5	46%	0.461	34%	0.337	S	S	.	.	H	α-helix	trans	-66.7	-35.3	174.2	-72.8	177.9	175.8	-171.8	0	112.5	I360 E361 H362 N368	I360-K364 HydrophobicContact CG2-CD 4.32Å; I360-K364 WeakPolarHBondContact O-CG 3.49Å; I360-K364 PolarHBondContact O-N 3.01Å; E361-K364 WeakPolarHBondContact O-CB 3.12Å; E361-K364 PolarHBondContact O-N 2.96Å; H362-K364 VanDerWaalsContact C-N 3.33Å; H362-K364 PolarHBondContact O-N 2.98Å; K364-N368 PolarHBondContact O-N 3.2Å; K364-N368 VanDerWaalsContact O-N 3.07Å; K364-N368 PolarHBondContact O-ND2 3.36Å
365	M	90.9	Very high	82.6	Confident	102 Å²	102	72.5 Å²	72.5	50%	0.502	35%	0.349	S	S	.	.	H	α-helix	trans	-64.1	-45.2	173.6	-71.7	178.3	61.7	0	0	111.4	E361 H362 L363 D367 N368 D369	E361-M365 WeakPolarHBondContact O-CG 3.42Å; E361-M365 PolarHBondContact O-N 3.26Å; H362-M365 WeakPolarHBondContact O-CB 3.49Å; H362-M365 PolarHBondContact O-N 3.19Å; H362-M365 VanDerWaalsContact O-N 3.16Å; L363-M365 VanDerWaalsContact C-N 3.35Å; M365-D367 VanDerWaalsContact C-N 3.28Å; M365-D367 PolarHBondContact O-N 3.47Å; M365-N368 PolarHBondContact O-N 2.99Å; M365-D369 WeakPolarHBondContact O-CB 3.28Å; M365-D369 PolarHBondContact O-N 3.5Å
366	L	89.3	Confident	81.7	Confident	20 Å²	20	74.6 Å²	74.6	11%	0.105	37%	0.37	C	S	.	.	H	α-helix	trans	-58.1	-40.5	177.1	-70.9	179.5	0	0	0	112.6	H362 L363 S370 I380 P493	H362-L366 WeakPolarHBondContact O-CG 3.2Å; H362-L366 PolarHBondContact O-N 2.81Å; L363-L366 HydrophobicContact CD2-CD1 4.49Å; L363-L366 PolarHBondContact O-N 2.79Å; L366-S370 VanDerWaalsContact O-CB 3.32Å; L366-S370 WeakPolarHBondContact O-CB 3.49Å; L366-S370 PolarHBondContact O-N 3Å; L366-I380 HydrophobicContact CB-CD1 4.41Å; L366-P493 HydrophobicContact CD1-CG 4.04Å; L366-P493 HydrophobicContact CD2-CG 3.64Å; L366-P493 HydrophobicContact CG-CG 4.4Å
367	D	89.6	Confident	80.5	Confident	24 Å²	24	78.3 Å²	78.3	13%	0.128	39%	0.393	C	S	.	.	H	α-helix	trans	-63.9	-51.9	175.5	-167.6	66.5	0	0	0	111.8	L363 M365 D369 S370 H371 S381 I382	L363-D367 PolarHBondContact O-N 3.12Å; L363-D367 VanDerWaalsContact O-N 3.16Å; M365-D367 VanDerWaalsContact C-N 3.28Å; M365-D367 PolarHBondContact O-N 3.47Å; D367-D369 VanDerWaalsContact C-N 3.34Å; D367-D369 PolarHBondContact O-N 2.67Å; D367-S370 WeakPolarHBondContact O-CB 3.39Å; D367-S370 PolarHBondContact O-N 3.03Å; D367-H371 PolarHBondContact O-CD2 3.34Å; D367-H371 VanDerWaalsContact O-CD2 3.23Å; D367-H371 PolarHBondContact O-N 2.64Å; D367-H371 IonicContact OD2-CD2 3.47Å; D367-S381 VanDerWaalsContact OD1-CA 3.25Å; D367-S381 WeakPolarHBondContact OD1-CA 3.49Å; D367-I382 HydrophobicContact CB-CB 3.98Å; D367-I382 HydrophobicContact CB-CD1 4.37Å; D367-I382 HydrophobicContact CB-CG1 4.49Å; D367-I382 PolarHBondContact OD1-N 2.85Å
368	N	88.6	Confident	79.6	Confident	91 Å²	91	76.5 Å²	76.5	49%	0.487	39%	0.385	S	S	.	.	H	α-helix	trans	-59.6	-41.9	177.9	-79.3	-31.5	0	0	0	112.8	K364 M365 S370 H371 K372	K364-N368 PolarHBondContact O-N 3.2Å; K364-N368 VanDerWaalsContact O-N 3.07Å; K364-N368 PolarHBondContact O-ND2 3.36Å; M365-N368 PolarHBondContact O-N 2.99Å; N368-S370 VanDerWaalsContact C-N 3.34Å; N368-H371 PolarHBondContact O-N 3.45Å; N368-K372 WeakPolarHBondContact O-CG 3.41Å; N368-K372 PolarHBondContact O-N 2.78Å
369	D	85.6	Confident	79.6	Confident	70 Å²	70	74 Å²	74	37%	0.374	37%	0.37	S	S	.	.	H	α-helix	trans	-68.9	-35	179.3	-74.3	-11.3	0	0	0	111.9	M365 D367 H371 K372 K373	M365-D369 WeakPolarHBondContact O-CB 3.28Å; M365-D369 PolarHBondContact O-N 3.5Å; D367-D369 VanDerWaalsContact C-N 3.34Å; D367-D369 PolarHBondContact O-N 2.67Å; D369-H371 VanDerWaalsContact C-N 3.34Å; D369-K372 PolarHBondContact O-N 2.82Å; D369-K373 WeakPolarHBondContact O-CG 3.33Å; D369-K373 PolarHBondContact O-N 2.77Å
370	S	84.3	Confident	79.7	Confident	3 Å²	3	74.1 Å²	74.1	2%	0.021	37%	0.37	C	S	.	.	H	α-helix	trans	-63.1	-40.6	171.7	176.8	0	0	0	0	111.5	L366 D367 N368 S378 F379 I380	L366-S370 VanDerWaalsContact O-CB 3.32Å; L366-S370 WeakPolarHBondContact O-CB 3.49Å; L366-S370 PolarHBondContact O-N 3Å; D367-S370 WeakPolarHBondContact O-CB 3.39Å; D367-S370 PolarHBondContact O-N 3.03Å; N368-S370 VanDerWaalsContact C-N 3.34Å; S370-S378 WeakPolarHBondContact CB-OG 3.45Å; S370-S378 PolarHBondContact OG-OG 3.21Å; S370-F379 PolarHBondContact OG-N 3.15Å; S370-I380 PolarHBondContact OG-N 2.67Å; S370-I380 VanDerWaalsContact OG-N 3.1Å
371	H	78.4	Confident	79.9	Confident	102 Å²	102	74.9 Å²	74.9	47%	0.472	38%	0.376	S	S	.	.	H	α-helix	trans	-67.7	-33.8	174.1	-81.7	-72.2	0	0	0	113.6	D367 N368 D369 S378	D367-H371 PolarHBondContact O-CD2 3.34Å; D367-H371 VanDerWaalsContact O-CD2 3.23Å; D367-H371 PolarHBondContact O-N 2.64Å; D367-H371 IonicContact OD2-CD2 3.47Å; N368-H371 PolarHBondContact O-N 3.45Å; D369-H371 VanDerWaalsContact C-N 3.34Å; H371-S378 VanDerWaalsContact CE1-CB 3.47Å; H371-S378 WeakPolarHBondContact CE1-CB 3.2Å
372	K	77.8	Confident	80	Confident	162 Å²	162	69.9 Å²	69.9	70%	0.704	35%	0.353	S	S	*	.	H	α-helix	trans	-75.1	-37.6	178.3	-74.7	174.5	-176.8	172.2	0	113.7	N368 D369 N374	N368-K372 WeakPolarHBondContact O-CG 3.41Å; N368-K372 PolarHBondContact O-N 2.78Å; D369-K372 PolarHBondContact O-N 2.82Å; K372-N374 VanDerWaalsContact C-N 3.33Å; K372-N374 PolarHBondContact O-N 3.45Å
373	K	68.5	Low	80	Confident	165 Å²	165	70.5 Å²	70.5	72%	0.717	36%	0.361	S	S	*	.	H	α-helix	trans	-70.3	-27.6	-174.6	-80	-179.5	-179.6	175.8	0	113.6	D369	D369-K373 WeakPolarHBondContact O-CG 3.33Å; D369-K373 PolarHBondContact O-N 2.77Å
374	N	60.4	Low	79.9	Confident	73 Å²	73	71.3 Å²	71.3	39%	0.39	37%	0.365	S	S	.	.			trans	-130.8	107	178.6	-86.5	-17.7	0	0	0	109.2	K372 S376 T377	K372-N374 VanDerWaalsContact C-N 3.33Å; K372-N374 PolarHBondContact O-N 3.45Å; N374-S376 PolarHBondContact O-N 2.85Å; N374-T377 WeakPolarHBondContact CB-O 3.44Å; N374-T377 PolarHBondContact ND2-O 3.33Å; N374-T377 VanDerWaalsContact ND2-O 3.15Å
375	E	56.7	Low	79.9	Confident	202 Å²	202	67.6 Å²	67.6	94%	0.944	35%	0.351	S	S	*	.	S	Bend	trans	-56.8	-24.9	177.6	-68.6	-177.9	163.4	0	0	113.1
376	S	53.3	Low	79.5	Confident	110 Å²	110	66.5 Å²	66.5	77%	0.769	34%	0.343	S	S	*	.	S	Bend	trans	-109	-25.4	-173.9	46.9	0	0	0	0	115.6	N374	N374-S376 PolarHBondContact O-N 2.85Å
377	T	55.4	Low	79.1	Confident	89 Å²	89	70.4 Å²	70.4	55%	0.546	36%	0.364	S	S	.	.			trans	-148.4	107.7	-178.1	60	0	0	0	0	113.4	N374	N374-T377 WeakPolarHBondContact CB-O 3.44Å; N374-T377 PolarHBondContact ND2-O 3.33Å; N374-T377 VanDerWaalsContact ND2-O 3.15Å
378	S	65	Low	78.6	Confident	23 Å²	23	73.6 Å²	73.6	16%	0.161	39%	0.388	C	S	.	.			trans	-73.2	137.4	164.6	-170.9	0	0	0	0	110.2	L334 S370 H371 I380	L334-S378 WeakPolarHBondContact CD2-O 3.38Å; S370-S378 WeakPolarHBondContact CB-OG 3.45Å; S370-S378 PolarHBondContact OG-OG 3.21Å; H371-S378 VanDerWaalsContact CE1-CB 3.47Å; H371-S378 WeakPolarHBondContact CE1-CB 3.2Å; S378-I380 PolarHBondContact OG-O 2.86Å
379	F	85.2	Confident	78.3	Confident	54 Å²	54	75.6 Å²	75.6	24%	0.237	40%	0.399	C	S	.	.	S	Bend	trans	-103.4	-9.2	176.3	60	-88.8	0	0	0	113	L334 L335 L336 S370	L334-F379 CarbonylContact C-O 3.51Å; L335-F379 HydrophobicContact CB-CD2 3.84Å; L335-F379 WeakPolarHBondContact CB-O 3.41Å; L335-F379 HydrophobicContact CD2-CD2 4.01Å; L335-F379 HydrophobicContact CD2-CE2 4.09Å; L335-F379 PolarHBondContact N-O 3.49Å; L336-F379 PolarHBondContact N-O 3.03Å; S370-F379 PolarHBondContact OG-N 3.15Å
380	I	92	Very high	78.1	Confident	3 Å²	3	75.3 Å²	75.3	2%	0.015	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.6	170.5	-63.7	176	0	0	0	108	L336 L366 S370 S378 I382 P493	L336-I380 HydrophobicContact CB-CG1 4.46Å; L336-I380 WeakPolarHBondContact O-CA 3.25Å; L366-I380 HydrophobicContact CB-CD1 4.41Å; S370-I380 PolarHBondContact OG-N 2.67Å; S370-I380 VanDerWaalsContact OG-N 3.1Å; S378-I380 PolarHBondContact OG-O 2.86Å; I380-I382 HydrophobicContact CG2-CD1 3.49Å; I380-I382 VanDerWaalsContact CG2-CD1 3.49Å; I380-I382 HydrophobicContact CG2-CG1 3.77Å; I380-P493 HydrophobicContact CD1-CB 4.27Å; I380-P493 HydrophobicContact CD1-CG 3.9Å
381	S	92.6	Very high	78	Confident	25 Å²	25	76.3 Å²	76.3	18%	0.175	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	108.9	176.3	178.1	0	0	0	0	110.3	L336 S337 F338 D367	L336-S381 PolarHBondContact O-N 3.03Å; S337-S381 CarbonylContact C-O 3.53Å; S337-S381 VanDerWaalsContact CA-O 3.22Å; S337-S381 WeakPolarHBondContact CA-O 3.34Å; F338-S381 PolarHBondContact N-O 3.01Å; D367-S381 VanDerWaalsContact OD1-CA 3.25Å; D367-S381 WeakPolarHBondContact OD1-CA 3.49Å
382	I	93.2	Very high	78.3	Confident	10 Å²	10	78.1 Å²	78.1	5%	0.051	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	120	-176.2	-63.3	165.2	0	0	0	109.6	F338 L363 D367 I380 I384	F338-I382 HydrophobicContact CB-CG1 4.21Å; F338-I382 HydrophobicContact CB-CG2 4.44Å; F338-I382 HydrophobicContact CD1-CG2 4.22Å; F338-I382 CarbonylContact O-C 3.39Å; F338-I382 WeakPolarHBondContact O-CA 3.16Å; L363-I382 HydrophobicContact CB-CD1 4.07Å; L363-I382 HydrophobicContact CB-CG2 4.26Å; L363-I382 HydrophobicContact CD2-CD1 3.99Å; L363-I382 WeakPolarHBondContact O-CD1 3.39Å; D367-I382 HydrophobicContact CB-CB 3.98Å; D367-I382 HydrophobicContact CB-CD1 4.37Å; D367-I382 HydrophobicContact CB-CG1 4.49Å; D367-I382 PolarHBondContact OD1-N 2.85Å; I380-I382 HydrophobicContact CG2-CD1 3.49Å; I380-I382 VanDerWaalsContact CG2-CD1 3.49Å; I380-I382 HydrophobicContact CG2-CG1 3.77Å; I382-I384 HydrophobicContact CG2-CD1 4.38Å; I382-I384 HydrophobicContact CG2-CG1 4.32Å
383	S	91.5	Very high	78.6	Confident	46 Å²	46	75 Å²	75	32%	0.322	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	117.3	177.5	-58.2	0	0	0	0	109.4	F338 N339 V340	F338-S383 PolarHBondContact O-N 3.41Å; N339-S383 WeakPolarHBondContact CA-O 3.41Å; V340-S383 PolarHBondContact N-O 2.78Å
384	I	89.7	Confident	79.6	Confident	17 Å²	17	67.2 Å²	67.2	9%	0.087	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	97.2	179.4	-57.9	172.5	0	0	0	107.2	F338 V340 I342 I360 I382 K386	F338-I384 HydrophobicContact CD1-CD1 4.2Å; F338-I384 HydrophobicContact CD1-CG1 3.99Å; F338-I384 HydrophobicContact CE1-CD1 3.93Å; F338-I384 HydrophobicContact CE1-CG1 3.88Å; V340-I384 HydrophobicContact CG2-CG1 4.24Å; V340-I384 HydrophobicContact CG2-CG2 4.42Å; I342-I384 HydrophobicContact CD1-CG2 4.11Å; I342-I384 HydrophobicContact CG1-CG2 4.43Å; I360-I384 HydrophobicContact CG1-CD1 4.2Å; I360-I384 HydrophobicContact CG2-CD1 4.05Å; I382-I384 HydrophobicContact CG2-CD1 4.38Å; I382-I384 HydrophobicContact CG2-CG1 4.32Å; I384-K386 HydrophobicContact CG2-CG 4.33Å
385	N	89.5	Confident	81	Confident	29 Å²	29	64 Å²	64	16%	0.155	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.2	-175.4	-62.9	-47.4	0	0	0	109.9	N339 V340 G341 I342 E390 L391 C416	N339-N385 PolarHBondContact OD1-ND2 2.74Å; V340-N385 PolarHBondContact O-N 2.84Å; G341-N385 WeakPolarHBondContact CA-O 3.16Å; I342-N385 PolarHBondContact N-O 2.93Å; I342-N385 VanDerWaalsContact N-O 3.07Å; N385-E390 WeakPolarHBondContact CA-OE2 3.33Å; N385-E390 HydrophobicContact CB-CB 3.83Å; N385-L391 HydrophobicContact CB-CD2 4.22Å; N385-L391 WeakPolarHBondContact O-CD2 3.33Å; N385-C416 PolarHBondContact ND2-SG 3.42Å
386	K	82.1	Confident	82.6	Confident	79 Å²	79	56.3 Å²	56.3	34%	0.343	33%	0.325	S	S	.	.			trans	-124.9	-29.6	-178.6	-58.8	-164.9	-175.4	-165	0	112.8	I342 H352 I384 E390	I342-K386 HydrophobicContact CD1-CD 3.98Å; I342-K386 HydrophobicContact CD1-CG 3.89Å; I342-K386 HydrophobicContact CG1-CG 4.36Å; H352-K386 PolarHBondContact CD2-NZ 3.16Å; H352-K386 PolarHBondContact NE2-NZ 3.22Å; I384-K386 HydrophobicContact CG2-CG 4.33Å; K386-E390 PolarHBondContact N-OE2 3.41Å
387	N	82.7	Confident	84.3	Confident	102 Å²	102	57.1 Å²	57.1	55%	0.545	32%	0.321	S	S	.	.	S	Bend	trans	-82.1	151.2	-173.9	-61.5	-35.6	0	0	0	111.1	N389 E390 L391	N387-N389 VanDerWaalsContact C-N 3.3Å; N387-N389 PolarHBondContact O-N 3.14Å; N387-E390 HydrophobicContact CB-CG 4.15Å; N387-E390 PolarHBondContact N-OE2 3.37Å; N387-E390 VanDerWaalsContact N-OE2 3.08Å; N387-E390 PolarHBondContact ND2-OE1 2.88Å; N387-E390 WeakPolarHBondContact O-CB 3.29Å; N387-E390 PolarHBondContact O-N 3.41Å; N387-L391 WeakPolarHBondContact O-CG 3.47Å; N387-L391 PolarHBondContact O-N 2.98Å
388	S	78.7	Confident	85.9	Confident	90 Å²	90	60 Å²	60	63%	0.629	33%	0.325	S	S	*	.	H	α-helix	trans	-53.5	-44.6	-177.4	-59.2	0	0	0	0	113.1	E390 L391 E392	S388-E390 PolarHBondContact O-N 2.67Å; S388-L391 PolarHBondContact O-N 2.84Å; S388-E392 WeakPolarHBondContact O-CG 3.4Å; S388-E392 PolarHBondContact O-N 3.24Å
389	N	81.5	Confident	87.1	Confident	133 Å²	133	58.9 Å²	58.9	71%	0.711	32%	0.318	S	S	*	.	H	α-helix	trans	-64.7	-38.6	179.7	-61.2	0.8	0	0	0	112.3	N387 S393	N387-N389 VanDerWaalsContact C-N 3.3Å; N387-N389 PolarHBondContact O-N 3.14Å; N389-S393 PolarHBondContact O-N 2.76Å
390	E	82.4	Confident	87.2	Confident	65 Å²	65	59.8 Å²	59.8	30%	0.304	32%	0.321	S	S	.	.	H	α-helix	trans	-67.7	-42.8	176.9	-63.9	162.6	-169.2	0	0	110.5	N385 K386 N387 S388 E392 S393 C394	N385-E390 WeakPolarHBondContact CA-OE2 3.33Å; N385-E390 HydrophobicContact CB-CB 3.83Å; K386-E390 PolarHBondContact N-OE2 3.41Å; N387-E390 HydrophobicContact CB-CG 4.15Å; N387-E390 PolarHBondContact N-OE2 3.37Å; N387-E390 VanDerWaalsContact N-OE2 3.08Å; N387-E390 PolarHBondContact ND2-OE1 2.88Å; N387-E390 WeakPolarHBondContact O-CB 3.29Å; N387-E390 PolarHBondContact O-N 3.41Å; S388-E390 PolarHBondContact O-N 2.67Å; E390-E392 VanDerWaalsContact C-N 3.32Å; E390-E392 PolarHBondContact O-N 3.47Å; E390-S393 PolarHBondContact O-N 3.09Å; E390-S393 VanDerWaalsContact O-N 3.12Å; E390-S393 PolarHBondContact O-OG 2.58Å; E390-C394 PolarHBondContact O-N 3.08Å
391	L	82.3	Confident	87	Confident	23 Å²	23	64.2 Å²	64.2	12%	0.12	34%	0.342	C	S	.	.	H	α-helix	trans	-66.6	-32.2	-179.6	-67.6	174.9	0	0	0	112.7	N385 N387 S388 S393 C394 W395	N385-L391 HydrophobicContact CB-CD2 4.22Å; N385-L391 WeakPolarHBondContact O-CD2 3.33Å; N387-L391 WeakPolarHBondContact O-CG 3.47Å; N387-L391 PolarHBondContact O-N 2.98Å; S388-L391 PolarHBondContact O-N 2.84Å; L391-S393 VanDerWaalsContact C-N 3.29Å; L391-S393 PolarHBondContact O-N 2.86Å; L391-C394 PolarHBondContact O-N 3.08Å; L391-W395 HydrophobicContact CD2-CH2 4.06Å; L391-W395 HydrophobicContact CD2-CZ3 4.05Å; L391-W395 PolarHBondContact O-N 3.18Å
392	E	82.9	Confident	86.9	Confident	141 Å²	141	63.4 Å²	63.4	66%	0.659	34%	0.335	S	S	*	.	H	α-helix	trans	-64.4	-32.9	172.3	-76.3	-178.3	-178.8	0	0	112.6	S388 E390	S388-E392 WeakPolarHBondContact O-CG 3.4Å; S388-E392 PolarHBondContact O-N 3.24Å; E390-E392 VanDerWaalsContact C-N 3.32Å; E390-E392 PolarHBondContact O-N 3.47Å
393	S	85	Confident	86.7	Confident	95 Å²	95	62.9 Å²	62.9	66%	0.664	33%	0.333	S	S	*	.	H	α-helix	trans	-77.6	-30	174.2	77.1	0	0	0	0	113.1	N389 E390 L391	N389-S393 PolarHBondContact O-N 2.76Å; E390-S393 PolarHBondContact O-N 3.09Å; E390-S393 VanDerWaalsContact O-N 3.12Å; E390-S393 PolarHBondContact O-OG 2.58Å; L391-S393 VanDerWaalsContact C-N 3.29Å; L391-S393 PolarHBondContact O-N 2.86Å
394	C	89.9	Confident	86.5	Confident	2 Å²	2	63 Å²	63	1%	0.014	33%	0.333	C	S	.	.	H	α-helix	trans	-72.9	-39.9	-174.8	175.2	0	0	0	0	113.1	E390 L391 C416 E417	E390-C394 PolarHBondContact O-N 3.08Å; L391-C394 PolarHBondContact O-N 3.08Å; C394-C416 HydrophobicContact CB-CB 3.94Å; C394-C416 WeakPolarHBondContact CB-SG 3.42Å; C394-C416 WeakPolarHBondContact SG-CA 3.37Å; C394-C416 WeakPolarHBondContact SG-CB 3.5Å; C394-C416 CovalentContact SG-SG 2.03Å; C394-C416 PolarHBondContact SG-SG 3.02Å; C394-E417 PolarHBondContact O-N 3.29Å
395	W	90.2	Very high	86.3	Confident	5 Å²	5	67.7 Å²	67.7	2%	0.019	35%	0.35	C	S	.	.	S	Bend	trans	-129.9	134.5	-176.6	-56.6	-40.5	0	0	0	112.7	G341 L343 L391 Y399 K400 L403 F414 P415	G341-W395 VanDerWaalsContact C-CH2 3.48Å; G341-W395 VanDerWaalsContact CA-CZ2 3.47Å; G341-W395 WeakPolarHBondContact O-CH2 3.29Å; G341-W395 VanDerWaalsContact O-CZ2 3.29Å; G341-W395 WeakPolarHBondContact O-CZ2 3.45Å; L343-W395 HydrophobicContact CB-CH2 3.94Å; L343-W395 HydrophobicContact CB-CZ3 4.08Å; L343-W395 HydrophobicContact CD1-CZ3 3.96Å; L391-W395 HydrophobicContact CD2-CH2 4.06Å; L391-W395 HydrophobicContact CD2-CZ3 4.05Å; L391-W395 PolarHBondContact O-N 3.18Å; W395-Y399 HydrophobicContact CB-CD1 4.03Å; W395-Y399 AromaticContact CD1-CD1 3.41Å; W395-Y399 VanDerWaalsContact CD1-CD1 3.41Å; W395-Y399 AromaticContact CD1-CE1 3.53Å; W395-Y399 AromaticContact CG-CD1 3.83Å; W395-Y399 HydrophobicContact CG-CD1 3.83Å; W395-Y399 HydrophobicContact CG-CE1 4.29Å; W395-Y399 AromaticContact NE1-CE1 3.86Å; W395-K400 HydrophobicContact CB-CB 4.26Å; W395-K400 HydrophobicContact CE3-CG 4.34Å; W395-L403 HydrophobicContact CD2-CD1 3.96Å; W395-L403 HydrophobicContact CE3-CD1 4.38Å; W395-L403 HydrophobicContact CG-CD1 4.35Å; W395-L403 HydrophobicContact CZ2-CD1 4.23Å; W395-F414 HydrophobicContact CH2-CB 4.38Å; W395-F414 HydrophobicContact CH2-CD2 4.49Å; W395-F414 HydrophobicContact CZ2-CB 3.59Å; W395-F414 HydrophobicContact CZ2-CD2 4.49Å; W395-P415 PolarHBondContact NE1-O 3.45Å
396	S	89.2	Confident	86.3	Confident	42 Å²	42	66.6 Å²	66.6	29%	0.294	34%	0.344	S	S	.	.			trans	-64.5	155.9	165.6	67.6	0	0	0	0	111.2	K398 Y399 K400 E417	S396-K398 VanDerWaalsContact C-N 3.25Å; S396-K398 PolarHBondContact O-N 2.95Å; S396-Y399 PolarHBondContact O-N 2.88Å; S396-Y399 PolarHBondContact OG-N 3.37Å; S396-K400 WeakPolarHBondContact O-CB 3.49Å; S396-K400 PolarHBondContact O-N 3.24Å; S396-E417 WeakPolarHBondContact CB-OE1 3.2Å; S396-E417 PolarHBondContact N-OE1 2.92Å; S396-E417 PolarHBondContact OG-OE1 3.06Å
397	N	88.3	Confident	86.4	Confident	127 Å²	127	62.8 Å²	62.8	68%	0.679	33%	0.328	S	S	*	.	H	α-helix	trans	-54	-41.6	179.1	-70.7	-16.9	0	0	0	112.6	K400 E401	N397-K400 PolarHBondContact O-N 3.48Å; N397-E401 WeakPolarHBondContact O-CB 3.3Å; N397-E401 WeakPolarHBondContact O-CG 3.35Å; N397-E401 PolarHBondContact O-N 3.37Å
398	K	89.4	Confident	86.1	Confident	148 Å²	148	59.4 Å²	59.4	64%	0.643	31%	0.309	S	S	*	.	H	α-helix	trans	-64.7	-41.5	178.4	-69.5	-174	179.5	-179.5	0	112.5	S396 F402	S396-K398 VanDerWaalsContact C-N 3.25Å; S396-K398 PolarHBondContact O-N 2.95Å; K398-F402 PolarHBondContact O-N 2.76Å; K398-F402 VanDerWaalsContact O-N 3.11Å
399	Y	90	Very high	86	Confident	1 Å²	1	55.9 Å²	55.9	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-68.8	-44.4	177.7	-169.8	-123.4	0	0	0	111	L311 I318 W395 S396 E401 F402 L403 E417	L311-Y399 HydrophobicContact CD2-CE2 4.08Å; I318-Y399 HydrophobicContact CD1-CD2 4.44Å; I318-Y399 HydrophobicContact CD1-CE1 4.11Å; I318-Y399 HydrophobicContact CD1-CE2 3.88Å; W395-Y399 HydrophobicContact CB-CD1 4.03Å; W395-Y399 AromaticContact CD1-CD1 3.41Å; W395-Y399 VanDerWaalsContact CD1-CD1 3.41Å; W395-Y399 AromaticContact CD1-CE1 3.53Å; W395-Y399 AromaticContact CG-CD1 3.83Å; W395-Y399 HydrophobicContact CG-CD1 3.83Å; W395-Y399 HydrophobicContact CG-CE1 4.29Å; W395-Y399 AromaticContact NE1-CE1 3.86Å; S396-Y399 PolarHBondContact O-N 2.88Å; S396-Y399 PolarHBondContact OG-N 3.37Å; Y399-E401 VanDerWaalsContact C-N 3.33Å; Y399-E401 PolarHBondContact O-N 3.21Å; Y399-F402 HydrophobicContact CD2-CD1 4.45Å; Y399-F402 HydrophobicContact CE2-CD1 4.35Å; Y399-F402 WeakPolarHBondContact O-CB 3.38Å; Y399-F402 PolarHBondContact O-N 3.43Å; Y399-F402 VanDerWaalsContact O-N 3.12Å; Y399-L403 HydrophobicContact CD1-CD1 4.07Å; Y399-L403 HydrophobicContact CE1-CD1 3.81Å; Y399-L403 HydrophobicContact CE1-CD2 4.5Å; Y399-L403 HydrophobicContact CE1-CG 4.32Å; Y399-L403 HydrophobicContact CE2-CD2 4.32Å; Y399-L403 WeakPolarHBondContact O-CG 3.48Å; Y399-L403 PolarHBondContact O-N 2.93Å; Y399-E417 HydrophobicContact CD1-CG 4.2Å
400	K	88.4	Confident	85.4	Confident	72 Å²	72	52.4 Å²	52.4	31%	0.313	27%	0.266	S	S	.	.	H	α-helix	trans	-57.3	-44.4	174.5	-170.9	176	-178.3	176.7	0	111.9	W395 S396 N397 F402 L403 S404	W395-K400 HydrophobicContact CB-CB 4.26Å; W395-K400 HydrophobicContact CE3-CG 4.34Å; S396-K400 WeakPolarHBondContact O-CB 3.49Å; S396-K400 PolarHBondContact O-N 3.24Å; N397-K400 PolarHBondContact O-N 3.48Å; K400-F402 PolarHBondContact O-N 2.96Å; K400-L403 PolarHBondContact O-N 3.34Å; K400-S404 WeakPolarHBondContact O-CB 3.39Å; K400-S404 PolarHBondContact O-N 3.49Å; K400-S404 PolarHBondContact O-OG 2.99Å; K400-S404 VanDerWaalsContact O-OG 3.07Å
401	E	88.3	Confident	85	Confident	96 Å²	96	50.4 Å²	50.4	45%	0.449	26%	0.259	S	S	.	.	H	α-helix	trans	-59.7	-44.5	174.2	-79.4	179.7	-150.1	0	0	112.6	N397 Y399 L403 S404 R405	N397-E401 WeakPolarHBondContact O-CB 3.3Å; N397-E401 WeakPolarHBondContact O-CG 3.35Å; N397-E401 PolarHBondContact O-N 3.37Å; Y399-E401 VanDerWaalsContact C-N 3.33Å; Y399-E401 PolarHBondContact O-N 3.21Å; E401-L403 VanDerWaalsContact C-N 3.35Å; E401-L403 PolarHBondContact O-N 3.45Å; E401-S404 PolarHBondContact O-N 3.45Å; E401-R405 VanDerWaalsContact O-CG 3.3Å; E401-R405 WeakPolarHBondContact O-CG 3.39Å; E401-R405 PolarHBondContact O-N 3.48Å; E401-R405 IonicContact OE2-CZ 3Å; E401-R405 IonicContact OE2-NH2 3.67Å; E401-R405 PolarHBondContact OE2-NH2 3.09Å
402	F	89.9	Confident	85.1	Confident	8 Å²	8	49.3 Å²	49.3	4%	0.035	25%	0.253	C	S	.	.	H	α-helix	trans	-59.5	-46	176.2	167.8	-97.9	0	0	0	111.5	I310 L311 Y314 K398 Y399 K400 R405 N406	I310-F402 HydrophobicContact CG2-CE2 3.74Å; I310-F402 HydrophobicContact CG2-CZ 3.85Å; L311-F402 HydrophobicContact CD2-CE1 3.81Å; L311-F402 HydrophobicContact CD2-CZ 4.39Å; Y314-F402 HydrophobicContact CD1-CB 3.84Å; Y314-F402 HydrophobicContact CD1-CG 4.48Å; Y314-F402 HydrophobicContact CD2-CB 3.89Å; Y314-F402 HydrophobicContact CD2-CD1 4.31Å; Y314-F402 AromaticContact CD2-CD2 3.54Å; Y314-F402 HydrophobicContact CD2-CD2 3.54Å; Y314-F402 HydrophobicContact CD2-CE2 4.14Å; Y314-F402 AromaticContact CD2-CG 3.63Å; Y314-F402 HydrophobicContact CD2-CG 3.63Å; Y314-F402 HydrophobicContact CE1-CB 4.11Å; Y314-F402 HydrophobicContact CE1-CD2 4.45Å; Y314-F402 HydrophobicContact CE2-CB 4.16Å; Y314-F402 AromaticContact CE2-CD2 3.24Å; Y314-F402 HydrophobicContact CE2-CD2 3.24Å; Y314-F402 AromaticContact CE2-CE2 3.79Å; Y314-F402 HydrophobicContact CE2-CE2 3.79Å; Y314-F402 AromaticContact CE2-CG 3.82Å; Y314-F402 HydrophobicContact CE2-CG 3.82Å; Y314-F402 HydrophobicContact CG-CB 3.74Å; Y314-F402 HydrophobicContact CG-CD2 4.28Å; Y314-F402 HydrophobicContact CG-CG 4.01Å; Y314-F402 AromaticContact CZ-CD2 3.75Å; K398-F402 PolarHBondContact O-N 2.76Å; K398-F402 VanDerWaalsContact O-N 3.11Å; Y399-F402 HydrophobicContact CD2-CD1 4.45Å; Y399-F402 HydrophobicContact CE2-CD1 4.35Å; Y399-F402 WeakPolarHBondContact O-CB 3.38Å; Y399-F402 PolarHBondContact O-N 3.43Å; Y399-F402 VanDerWaalsContact O-N 3.12Å; K400-F402 PolarHBondContact O-N 2.96Å; F402-R405 PolarHBondContact O-N 2.73Å; F402-N406 VanDerWaalsContact CD2-ND2 3.34Å; F402-N406 WeakPolarHBondContact CD2-ND2 3.28Å; F402-N406 VanDerWaalsContact CE2-ND2 3.3Å; F402-N406 WeakPolarHBondContact CE2-ND2 3.47Å; F402-N406 PolarHBondContact O-N 3.04Å; F402-N406 VanDerWaalsContact O-N 3.15Å; F402-N406 PolarHBondContact O-ND2 3.31Å
403	L	89.3	Confident	85.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-45	176.8	-62.7	-178.5	0	0	0	111.4	L343 W395 Y399 K400 E401 R405 N406 S407 F414 I446	L343-L403 HydrophobicContact CD2-CB 4.2Å; W395-L403 HydrophobicContact CD2-CD1 3.96Å; W395-L403 HydrophobicContact CE3-CD1 4.38Å; W395-L403 HydrophobicContact CG-CD1 4.35Å; W395-L403 HydrophobicContact CZ2-CD1 4.23Å; Y399-L403 HydrophobicContact CD1-CD1 4.07Å; Y399-L403 HydrophobicContact CE1-CD1 3.81Å; Y399-L403 HydrophobicContact CE1-CD2 4.5Å; Y399-L403 HydrophobicContact CE1-CG 4.32Å; Y399-L403 HydrophobicContact CE2-CD2 4.32Å; Y399-L403 WeakPolarHBondContact O-CG 3.48Å; Y399-L403 PolarHBondContact O-N 2.93Å; K400-L403 PolarHBondContact O-N 3.34Å; E401-L403 VanDerWaalsContact C-N 3.35Å; E401-L403 PolarHBondContact O-N 3.45Å; L403-R405 VanDerWaalsContact C-N 3.32Å; L403-R405 PolarHBondContact O-N 2.73Å; L403-N406 PolarHBondContact O-N 2.87Å; L403-S407 WeakPolarHBondContact O-CB 3.44Å; L403-S407 PolarHBondContact O-N 2.97Å; L403-F414 HydrophobicContact CD1-CB 3.71Å; L403-F414 HydrophobicContact CD1-CD1 4.21Å; L403-F414 HydrophobicContact CD1-CD2 4.13Å; L403-F414 HydrophobicContact CD1-CG 3.76Å; L403-F414 HydrophobicContact CD2-CB 4.45Å; L403-F414 HydrophobicContact CD2-CD1 3.52Å; L403-F414 HydrophobicContact CD2-CE1 3.85Å; L403-F414 HydrophobicContact CD2-CG 3.97Å; L403-F414 HydrophobicContact CG-CD1 4.39Å; L403-F414 HydrophobicContact CG-CG 4.38Å; L403-I446 HydrophobicContact CD2-CD1 3.96Å
404	S	85.9	Confident	85.7	Confident	47 Å²	47	38.1 Å²	38.1	33%	0.329	19%	0.19	S	C	.	.	H	α-helix	trans	-63.6	-33.9	179.6	-64.6	0	0	0	0	113.5	K400 E401	K400-S404 WeakPolarHBondContact O-CB 3.39Å; K400-S404 PolarHBondContact O-N 3.49Å; K400-S404 PolarHBondContact O-OG 2.99Å; K400-S404 VanDerWaalsContact O-OG 3.07Å; E401-S404 PolarHBondContact O-N 3.45Å
405	R	86.9	Confident	85.8	Confident	116 Å²	116	38.3 Å²	38.3	44%	0.438	19%	0.191	S	C	.	.	H	α-helix	trans	-76.5	-28.6	176.6	-67.3	-179.3	-143	-168.5	5.2	113	N264 L266 E401 F402 L403	N264-R405 PolarHBondContact OD1-O 3.44Å; L266-R405 HydrophobicContact CD1-CB 4.09Å; L266-R405 HydrophobicContact CD1-CG 3.96Å; L266-R405 WeakPolarHBondContact CG-O 3.41Å; L266-R405 PolarHBondContact N-O 2.88Å; E401-R405 VanDerWaalsContact O-CG 3.3Å; E401-R405 WeakPolarHBondContact O-CG 3.39Å; E401-R405 PolarHBondContact O-N 3.48Å; E401-R405 IonicContact OE2-CZ 3Å; E401-R405 IonicContact OE2-NH2 3.67Å; E401-R405 PolarHBondContact OE2-NH2 3.09Å; F402-R405 PolarHBondContact O-N 2.73Å; L403-R405 VanDerWaalsContact C-N 3.32Å; L403-R405 PolarHBondContact O-N 2.73Å
406	N	89	Confident	86	Confident	6 Å²	6	38 Å²	38	3%	0.032	19%	0.19	C	C	.	.	H	α-helix	trans	-103.7	-20.4	-174.1	-70	-73.5	0	0	0	114.2	F263 N264 A265 S290 F402 L403 L442	F263-N406 PolarHBondContact O-OD1 3.39Å; N264-N406 WeakPolarHBondContact CA-OD1 3.15Å; A265-N406 VanDerWaalsContact CB-O 3.25Å; A265-N406 WeakPolarHBondContact CB-O 3.48Å; A265-N406 PolarHBondContact N-OD1 2.91Å; S290-N406 WeakPolarHBondContact CB-O 3.44Å; F402-N406 VanDerWaalsContact CD2-ND2 3.34Å; F402-N406 WeakPolarHBondContact CD2-ND2 3.28Å; F402-N406 VanDerWaalsContact CE2-ND2 3.3Å; F402-N406 WeakPolarHBondContact CE2-ND2 3.47Å; F402-N406 PolarHBondContact O-N 3.04Å; F402-N406 VanDerWaalsContact O-N 3.15Å; F402-N406 PolarHBondContact O-ND2 3.31Å; L403-N406 PolarHBondContact O-N 2.87Å; N406-L442 HydrophobicContact CB-CD2 3.74Å
407	S	83.4	Confident	86	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.			trans	-88.3	120.3	175.9	-171.2	0	0	0	0	110.9	K345 L403 S409	K345-S407 PolarHBondContact NZ-O 3.06Å; L403-S407 WeakPolarHBondContact O-CB 3.44Å; L403-S407 PolarHBondContact O-N 2.97Å; S407-S409 PolarHBondContact OG-O 3.31Å
408	L	77.1	Confident	86	Confident	30 Å²	30	34.2 Å²	34.2	16%	0.157	17%	0.166	C	C	.	.			trans	-100	-4.6	171	-61	176.1	0	0	0	112.6	A265 D269 P292	A265-L408 HydrophobicContact CB-CD1 3.86Å; A265-L408 HydrophobicContact CB-CD2 4.26Å; A265-L408 HydrophobicContact CB-CG 3.82Å; D269-L408 HydrophobicContact CB-CD2 4.28Å; P292-L408 HydrophobicContact CB-CD1 4.41Å; P292-L408 VanDerWaalsContact CD-CD1 3.46Å; P292-L408 HydrophobicContact CG-CD1 3.81Å
409	S	75.8	Confident	86.1	Confident	17 Å²	17	27.3 Å²	27.3	12%	0.119	14%	0.136	C	C	.	.			trans	-87.6	137.9	174.5	169.7	0	0	0	0	111.2	S407 T411 D412	S407-S409 PolarHBondContact OG-O 3.31Å; S409-T411 VanDerWaalsContact C-N 3.33Å; S409-T411 PolarHBondContact OG-N 3.02Å; S409-D412 WeakPolarHBondContact CB-OD1 3.43Å; S409-D412 PolarHBondContact OG-N 3.03Å; S409-D412 PolarHBondContact OG-OD1 3.03Å; S409-D412 VanDerWaalsContact OG-OD1 3.12Å
410	D	68.9	Low	86.2	Confident	60 Å²	60	27.3 Å²	27.3	32%	0.321	14%	0.136	S	C	.	.	S	Bend	trans	-81.1	-9.2	177.3	-85.2	6.6	0	0	0	113.7	S344 K345 S346 A349	S344-D410 WeakPolarHBondContact CA-O 3.41Å; K345-D410 WeakPolarHBondContact CB-OD1 3.42Å; S346-D410 PolarHBondContact OG-OD2 2.71Å; S346-D410 VanDerWaalsContact OG-OD2 3.11Å; A349-D410 HydrophobicContact CB-CB 4.41Å
411	T	75.1	Confident	86.3	Confident	23 Å²	23	26.6 Å²	26.6	14%	0.141	14%	0.141	C	C	.	.	S	Bend	trans	-133.6	20.2	-170	48.3	0	0	0	0	113.2	A349 S409 W413 A435	A349-T411 HydrophobicContact CB-CG2 3.57Å; S409-T411 VanDerWaalsContact C-N 3.33Å; S409-T411 PolarHBondContact OG-N 3.02Å; T411-W413 PolarHBondContact O-NE1 3.22Å; T411-A435 WeakPolarHBondContact OG1-CA 3.49Å
412	D	84	Confident	86.5	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.			trans	-74.7	142.9	177.8	-95.2	8.9	0	0	0	112.2	L343 S409 F414 A435 S441 L442 G443	L343-D412 PolarHBondContact N-O 2.81Å; S409-D412 WeakPolarHBondContact CB-OD1 3.43Å; S409-D412 PolarHBondContact OG-N 3.03Å; S409-D412 PolarHBondContact OG-OD1 3.03Å; S409-D412 VanDerWaalsContact OG-OD1 3.12Å; D412-F414 HydrophobicContact CB-CD2 4.34Å; D412-F414 HydrophobicContact CB-CE2 3.47Å; D412-F414 VanDerWaalsContact CB-CE2 3.47Å; D412-F414 HydrophobicContact CB-CZ 3.6Å; D412-A435 VanDerWaalsContact OD1-CB 3.31Å; D412-A435 WeakPolarHBondContact OD1-CB 3.36Å; D412-S441 WeakPolarHBondContact OD1-CB 3.32Å; D412-S441 PolarHBondContact OD1-OG 3.34Å; D412-S441 PolarHBondContact OD2-OG 3.11Å; D412-L442 PolarHBondContact OD2-N 2.99Å; D412-G443 PolarHBondContact OD2-N 3.26Å
413	W	88.5	Confident	86.7	Confident	1 Å²	1	23.9 Å²	23.9	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.2	-178.5	-59.4	11.1	0	0	0	108.5	F338 V340 I342 H352 I360 T411 M432 G443 Q447	F338-W413 HydrophobicContact CE1-CE3 4.17Å; F338-W413 AromaticContact CE1-CZ3 3.89Å; F338-W413 HydrophobicContact CE1-CZ3 3.89Å; F338-W413 AromaticContact CZ-CE3 3.73Å; F338-W413 HydrophobicContact CZ-CE3 3.73Å; F338-W413 AromaticContact CZ-CZ3 3.85Å; F338-W413 HydrophobicContact CZ-CZ3 3.85Å; V340-W413 HydrophobicContact CG2-CE3 4.07Å; I342-W413 HydrophobicContact CD1-CD2 4.28Å; I342-W413 HydrophobicContact CD1-CZ2 4.04Å; I342-W413 HydrophobicContact CG1-CD2 4.27Å; I342-W413 HydrophobicContact CG1-CG 4.12Å; H352-W413 AromaticContact CE1-NE1 3.98Å; I360-W413 HydrophobicContact CD1-CH2 3.73Å; I360-W413 HydrophobicContact CD1-CZ2 4.08Å; I360-W413 HydrophobicContact CG1-CH2 3.88Å; T411-W413 PolarHBondContact O-NE1 3.22Å; W413-M432 HydrophobicContact CE3-CB 4.45Å; W413-M432 HydrophobicContact CE3-CE 4.37Å; W413-M432 HydrophobicContact CH2-CE 3.46Å; W413-M432 VanDerWaalsContact CH2-CE 3.46Å; W413-M432 HydrophobicContact CZ3-CB 4.3Å; W413-M432 HydrophobicContact CZ3-CE 3.24Å; W413-M432 HydrophobicContact CZ3-CG 4.23Å; W413-G443 CarbonylContact O-C 3.48Å; W413-G443 WeakPolarHBondContact O-CA 3.03Å; W413-Q447 PolarHBondContact O-NE2 2.97Å
414	F	91.7	Very high	86.7	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	143.6	-176.6	-62.5	-83	0	0	0	110.6	V340 G341 L343 W395 L403 D412 L442 G443 I446	V340-F414 CarbonylContact C-O 3.15Å; V340-F414 VanDerWaalsContact CA-O 3.25Å; V340-F414 WeakPolarHBondContact CA-O 3.26Å; V340-F414 WeakPolarHBondContact CB-O 3.33Å; G341-F414 PolarHBondContact N-O 3.43Å; G341-F414 PolarHBondContact O-N 3.34Å; L343-F414 HydrophobicContact CB-CD2 3.99Å; L343-F414 HydrophobicContact CB-CE2 4.04Å; L343-F414 HydrophobicContact CD2-CE2 4.16Å; W395-F414 HydrophobicContact CH2-CB 4.38Å; W395-F414 HydrophobicContact CH2-CD2 4.49Å; W395-F414 HydrophobicContact CZ2-CB 3.59Å; W395-F414 HydrophobicContact CZ2-CD2 4.49Å; L403-F414 HydrophobicContact CD1-CB 3.71Å; L403-F414 HydrophobicContact CD1-CD1 4.21Å; L403-F414 HydrophobicContact CD1-CD2 4.13Å; L403-F414 HydrophobicContact CD1-CG 3.76Å; L403-F414 HydrophobicContact CD2-CB 4.45Å; L403-F414 HydrophobicContact CD2-CD1 3.52Å; L403-F414 HydrophobicContact CD2-CE1 3.85Å; L403-F414 HydrophobicContact CD2-CG 3.97Å; L403-F414 HydrophobicContact CG-CD1 4.39Å; L403-F414 HydrophobicContact CG-CG 4.38Å; D412-F414 HydrophobicContact CB-CD2 4.34Å; D412-F414 HydrophobicContact CB-CE2 3.47Å; D412-F414 VanDerWaalsContact CB-CE2 3.47Å; D412-F414 HydrophobicContact CB-CZ 3.6Å; F414-L442 HydrophobicContact CE1-CB 4.1Å; F414-L442 HydrophobicContact CE1-CD2 3.97Å; F414-L442 HydrophobicContact CE1-CG 4.06Å; F414-L442 HydrophobicContact CZ-CB 4.31Å; F414-L442 HydrophobicContact CZ-CD2 4.28Å; F414-G443 VanDerWaalsContact CD1-CA 3.43Å; F414-G443 VanDerWaalsContact CE1-N 3.31Å; F414-I446 HydrophobicContact CD1-CD1 3.87Å; F414-I446 HydrophobicContact CE1-CD1 3.93Å
415	P	93.3	Very high	87	Confident	5 Å²	5	30.9 Å²	30.9	3%	0.032	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	142.6	176.6	25.8	-31.4	0	0	0	111.2	N339 W395 S419 I446	N339-P415 WeakPolarHBondContact O-CA 3.41Å; W395-P415 PolarHBondContact NE1-O 3.45Å; P415-S419 WeakPolarHBondContact CB-OG 3.34Å; P415-I446 HydrophobicContact CG-CG2 3.56Å
416	C	93.1	Very high	87.4	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.			trans	-72.2	160.5	169.3	-62.1	0	0	0	0	111.1	N339 N385 C394 D418 S419	N339-C416 PolarHBondContact O-N 2.92Å; N339-C416 VanDerWaalsContact O-N 3.14Å; N339-C416 PolarHBondContact OD1-SG 2.98Å; N385-C416 PolarHBondContact ND2-SG 3.42Å; C394-C416 HydrophobicContact CB-CB 3.94Å; C394-C416 WeakPolarHBondContact CB-SG 3.42Å; C394-C416 WeakPolarHBondContact SG-CA 3.37Å; C394-C416 WeakPolarHBondContact SG-CB 3.5Å; C394-C416 CovalentContact SG-SG 2.03Å; C394-C416 PolarHBondContact SG-SG 3.02Å; C416-D418 VanDerWaalsContact C-N 3.26Å; C416-D418 WeakPolarHBondContact CB-OD1 3.35Å; C416-D418 PolarHBondContact O-N 3.08Å; C416-S419 WeakPolarHBondContact O-CB 3.48Å; C416-S419 PolarHBondContact O-N 2.97Å; C416-S419 VanDerWaalsContact O-N 3.1Å; C416-S419 PolarHBondContact O-OG 3.26Å
417	E	89.6	Confident	87.7	Confident	14 Å²	14	25.1 Å²	25.1	7%	0.065	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.6	-175.7	-67.1	-169.4	162.1	0	0	114.2	S315 K317 I318 C394 S396 Y399 S419	S315-E417 WeakPolarHBondContact CB-OE1 3.44Å; S315-E417 WeakPolarHBondContact OG-CG 3.22Å; S315-E417 PolarHBondContact OG-OE1 2.62Å; S315-E417 PolarHBondContact OG-OE2 3.44Å; K317-E417 HydrophobicContact CB-CB 4.03Å; K317-E417 HydrophobicContact CD-CB 4.28Å; I318-E417 HydrophobicContact CG1-CB 4.41Å; C394-E417 PolarHBondContact O-N 3.29Å; S396-E417 WeakPolarHBondContact CB-OE1 3.2Å; S396-E417 PolarHBondContact N-OE1 2.92Å; S396-E417 PolarHBondContact OG-OE1 3.06Å; Y399-E417 HydrophobicContact CD1-CG 4.2Å; E417-S419 VanDerWaalsContact C-N 3.35Å
418	D	88.8	Confident	88.4	Confident	74 Å²	74	25.1 Å²	25.1	40%	0.396	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-11.2	176.6	62.7	-32.2	0	0	0	113.2	N339 C416 S420 S421 L422	N339-D418 PolarHBondContact ND2-OD1 3.42Å; N339-D418 PolarHBondContact ND2-OD2 2.7Å; C416-D418 VanDerWaalsContact C-N 3.26Å; C416-D418 WeakPolarHBondContact CB-OD1 3.35Å; C416-D418 PolarHBondContact O-N 3.08Å; D418-S420 PolarHBondContact O-N 3.11Å; D418-S421 WeakPolarHBondContact O-CB 3.4Å; D418-S421 PolarHBondContact O-N 3.18Å; D418-S421 PolarHBondContact O-OG 2.79Å; D418-L422 PolarHBondContact O-N 2.96Å
419	S	92.3	Very high	89.3	Confident	4 Å²	4	23.7 Å²	23.7	3%	0.028	12%	0.122	C	C	.	.	H	α-helix	trans	-55.4	-35.2	179.5	65.4	0	0	0	0	113.3	P415 C416 E417 S421 L422 L423 N450	P415-S419 WeakPolarHBondContact CB-OG 3.34Å; C416-S419 WeakPolarHBondContact O-CB 3.48Å; C416-S419 PolarHBondContact O-N 2.97Å; C416-S419 VanDerWaalsContact O-N 3.1Å; C416-S419 PolarHBondContact O-OG 3.26Å; E417-S419 VanDerWaalsContact C-N 3.35Å; S419-S421 VanDerWaalsContact C-N 3.3Å; S419-S421 PolarHBondContact O-N 2.96Å; S419-L422 WeakPolarHBondContact O-CB 3.37Å; S419-L422 PolarHBondContact O-N 2.94Å; S419-L423 WeakPolarHBondContact O-CB 3.4Å; S419-L423 VanDerWaalsContact O-CG 3.32Å; S419-L423 WeakPolarHBondContact O-CG 3.41Å; S419-L423 PolarHBondContact O-N 3.22Å; S419-N450 PolarHBondContact OG-ND2 3.34Å
420	S	91.3	Very high	90.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.4	-36.6	179	-52.7	0	0	0	0	111.8	I318 D418 L422 L423 R424 N450 N454	I318-S420 WeakPolarHBondContact CG2-OG 3.41Å; I318-S420 WeakPolarHBondContact O-CB 3.32Å; I318-S420 PolarHBondContact O-OG 3.24Å; I318-S420 VanDerWaalsContact O-OG 3.14Å; D418-S420 PolarHBondContact O-N 3.11Å; S420-L422 VanDerWaalsContact C-N 3.33Å; S420-L422 PolarHBondContact O-N 2.85Å; S420-L423 PolarHBondContact O-N 2.86Å; S420-R424 WeakPolarHBondContact O-CB 3.44Å; S420-R424 PolarHBondContact O-N 3.49Å; S420-N450 PolarHBondContact OG-OD1 2.95Å; S420-N454 PolarHBondContact O-OD1 3.42Å
421	S	90	Very high	91.3	Very high	58 Å²	58	20.3 Å²	20.3	41%	0.406	10%	0.103	S	C	.	.	H	α-helix	trans	-66.6	-34.6	175.8	77.6	0	0	0	0	112.7	D418 S419	D418-S421 WeakPolarHBondContact O-CB 3.4Å; D418-S421 PolarHBondContact O-N 3.18Å; D418-S421 PolarHBondContact O-OG 2.79Å; S419-S421 VanDerWaalsContact C-N 3.3Å; S419-S421 PolarHBondContact O-N 2.96Å
422	L	92	Very high	92	Very high	34 Å²	34	19.3 Å²	19.3	18%	0.178	10%	0.097	C	C	.	.	H	α-helix	trans	-71.3	-52.5	173.7	-64.4	173.9	0	0	0	110.5	L334 N339 D418 S419 S420 R424 K425 S426	L334-L422 HydrophobicContact CD1-CD2 4.48Å; N339-L422 HydrophobicContact CB-CD1 3.76Å; D418-L422 PolarHBondContact O-N 2.96Å; S419-L422 WeakPolarHBondContact O-CB 3.37Å; S419-L422 PolarHBondContact O-N 2.94Å; S420-L422 VanDerWaalsContact C-N 3.33Å; S420-L422 PolarHBondContact O-N 2.85Å; L422-R424 PolarHBondContact O-N 3.11Å; L422-R424 VanDerWaalsContact O-N 3.16Å; L422-K425 CarbonylContact O-C 3.58Å; L422-K425 WeakPolarHBondContact O-CA 3.49Å; L422-K425 WeakPolarHBondContact O-CB 3.41Å; L422-K425 PolarHBondContact O-N 2.94Å; L422-S426 PolarHBondContact O-N 2.77Å; L422-S426 PolarHBondContact O-OG 3.4Å
423	L	93.9	Very high	91.9	Very high	12 Å²	12	19.5 Å²	19.5	6%	0.063	10%	0.098	C	C	.	.	H	α-helix	trans	-56.5	-35.9	-178.4	-75	167.9	0	0	0	112.4	R332 S419 S420 K425 S426 N450 N454 A456	R332-L423 PolarHBondContact NH1-O 3.45Å; S419-L423 WeakPolarHBondContact O-CB 3.4Å; S419-L423 VanDerWaalsContact O-CG 3.32Å; S419-L423 WeakPolarHBondContact O-CG 3.41Å; S419-L423 PolarHBondContact O-N 3.22Å; S420-L423 PolarHBondContact O-N 2.86Å; L423-K425 VanDerWaalsContact C-N 3.25Å; L423-K425 PolarHBondContact O-N 3.27Å; L423-S426 PolarHBondContact O-N 3.32Å; L423-N450 HydrophobicContact CD1-CB 4.19Å; L423-N450 WeakPolarHBondContact CD1-ND2 3.46Å; L423-N454 HydrophobicContact CB-CB 3.77Å; L423-A456 HydrophobicContact CB-CB 4.36Å; L423-A456 HydrophobicContact CD2-CB 3.97Å
424	R	91.1	Very high	91.2	Very high	70 Å²	70	20 Å²	20	26%	0.264	10%	0.103	S	C	.	.	H	α-helix	trans	-65.4	-28.5	176.4	-165.9	166.3	-166.4	-129.7	6.5	113.7	S323 R332 S420 L422	S323-R424 VanDerWaalsContact C-NH2 3.35Å; S323-R424 VanDerWaalsContact CB-NH2 3.28Å; S323-R424 PolarHBondContact O-NH2 2.61Å; S323-R424 PolarHBondContact OG-NH1 3.05Å; S323-R424 PolarHBondContact OG-NH2 2.95Å; R332-R424 WeakPolarHBondContact CD-O 3.48Å; R332-R424 PolarHBondContact NH1-O 3.07Å; S420-R424 WeakPolarHBondContact O-CB 3.44Å; S420-R424 PolarHBondContact O-N 3.49Å; L422-R424 PolarHBondContact O-N 3.11Å; L422-R424 VanDerWaalsContact O-N 3.16Å
425	K	91.7	Very high	90.2	Very high	124 Å²	124	20.4 Å²	20.4	54%	0.539	11%	0.107	S	C	.	.	H	α-helix	trans	-87.8	-9.5	172.8	-64	177.7	-175.6	178.1	0	112.3	R332 S333 L334 L422 L423	R332-K425 WeakPolarHBondContact CB-O 3.44Å; S333-K425 PolarHBondContact N-O 2.75Å; S333-K425 PolarHBondContact OG-O 2.94Å; L334-K425 HydrophobicContact CD1-CB 4.08Å; L334-K425 HydrophobicContact CG-CB 4.39Å; L334-K425 PolarHBondContact N-O 3.43Å; L422-K425 CarbonylContact O-C 3.58Å; L422-K425 WeakPolarHBondContact O-CA 3.49Å; L422-K425 WeakPolarHBondContact O-CB 3.41Å; L422-K425 PolarHBondContact O-N 2.94Å; L423-K425 VanDerWaalsContact C-N 3.25Å; L423-K425 PolarHBondContact O-N 3.27Å
426	S	94.5	Very high	89.1	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	140	-175.8	-56.8	0	0	0	0	113.7	R332 L334 S337 L422 L423 F428	R332-S426 VanDerWaalsContact CD-O 3.3Å; R332-S426 WeakPolarHBondContact CD-O 3.2Å; R332-S426 PolarHBondContact NH1-O 2.77Å; L334-S426 WeakPolarHBondContact CB-OG 3.25Å; L334-S426 CarbonylContact O-C 3.54Å; L334-S426 WeakPolarHBondContact O-CA 3.3Å; S337-S426 WeakPolarHBondContact CB-OG 3.28Å; S337-S426 VanDerWaalsContact OG-CB 3.3Å; S337-S426 WeakPolarHBondContact OG-CB 3.35Å; S337-S426 PolarHBondContact OG-OG 2.53Å; L422-S426 PolarHBondContact O-N 2.77Å; L422-S426 PolarHBondContact O-OG 3.4Å; L423-S426 PolarHBondContact O-N 3.32Å; S426-F428 WeakPolarHBondContact CB-O 3.41Å
427	T	95.9	Very high	88.1	Confident	1 Å²	1	31 Å²	31	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-43.8	171.3	-49.5	0	0	0	0	110.4	R332 L334 I457 I504	R332-T427 PolarHBondContact N-OG1 3.32Å; L334-T427 PolarHBondContact O-N 3.36Å; L334-T427 PolarHBondContact O-OG1 3.04Å; T427-I457 PolarHBondContact O-N 3.07Å; T427-I504 HydrophobicContact CG2-CD1 4.36Å; T427-I504 HydrophobicContact CG2-CG2 3.78Å
428	F	97.5	Very high	87.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.1	-177.6	-58.8	-77.6	0	0	0	110.9	L335 L336 S337 S426 I457 V459 I482 L496 L499 I504	L335-F428 HydrophobicContact CD1-CD2 3.93Å; L335-F428 HydrophobicContact CD1-CE2 3.91Å; L335-F428 HydrophobicContact CG-CD2 4.39Å; L335-F428 WeakPolarHBondContact O-CB 3.36Å; L335-F428 VanDerWaalsContact O-CD2 3.26Å; L335-F428 WeakPolarHBondContact O-CD2 3.41Å; L335-F428 PolarHBondContact O-N 2.98Å; L336-F428 WeakPolarHBondContact CA-O 3.33Å; L336-F428 HydrophobicContact CD1-CB 3.7Å; S337-F428 PolarHBondContact N-O 3.34Å; S337-F428 VanDerWaalsContact N-O 3.08Å; S426-F428 WeakPolarHBondContact CB-O 3.41Å; F428-I457 CarbonylContact C-O 3.53Å; F428-I457 WeakPolarHBondContact CA-O 3.33Å; F428-I457 HydrophobicContact CD1-CB 3.62Å; F428-I457 HydrophobicContact CD1-CD1 4.29Å; F428-I457 HydrophobicContact CD1-CG1 4.46Å; F428-I457 HydrophobicContact CD1-CG2 3.9Å; F428-I457 HydrophobicContact CE1-CB 3.94Å; F428-I457 HydrophobicContact CE1-CD1 3.73Å; F428-I457 HydrophobicContact CE1-CG1 4.37Å; F428-I457 HydrophobicContact CE1-CG2 4.06Å; F428-I457 HydrophobicContact CZ-CD1 4.44Å; F428-V459 HydrophobicContact CB-CG2 3.72Å; F428-V459 HydrophobicContact CD1-CG2 3.67Å; F428-V459 HydrophobicContact CG-CG2 4.02Å; F428-I482 HydrophobicContact CD1-CD1 3.87Å; F428-I482 HydrophobicContact CE1-CD1 3.46Å; F428-I482 VanDerWaalsContact CE1-CD1 3.46Å; F428-I482 HydrophobicContact CZ-CD1 4.49Å; F428-L496 HydrophobicContact CB-CD1 4.05Å; F428-L496 HydrophobicContact CD1-CD2 3.84Å; F428-L496 HydrophobicContact CD2-CB 3.91Å; F428-L496 HydrophobicContact CD2-CD1 3.93Å; F428-L496 HydrophobicContact CD2-CD2 4.27Å; F428-L496 HydrophobicContact CD2-CG 4.25Å; F428-L496 HydrophobicContact CE1-CD2 3.97Å; F428-L496 HydrophobicContact CE2-CB 3.77Å; F428-L496 HydrophobicContact CE2-CD2 4.38Å; F428-L496 HydrophobicContact CE2-CG 4.46Å; F428-L496 HydrophobicContact CG-CD1 3.93Å; F428-L496 HydrophobicContact CG-CD2 4.03Å; F428-L496 HydrophobicContact CG-CG 4.37Å; F428-L496 HydrophobicContact CZ-CB 4.25Å; F428-L496 HydrophobicContact CZ-CD2 4.25Å; F428-L499 HydrophobicContact CE1-CD1 3.94Å; F428-L499 HydrophobicContact CZ-CD1 3.86Å; F428-I504 HydrophobicContact CZ-CD1 4.15Å; F428-I504 HydrophobicContact CZ-CG1 4.21Å
429	G	96.2	Very high	86.7	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.1	173.1	0	0	0	0	0	110	I457 P458 V459	G429-I457 PolarHBondContact N-O 3.39Å; G429-P458 WeakPolarHBondContact O-CA 3.31Å; G429-V459 PolarHBondContact O-N 3.43Å
430	L	95.2	Very high	86.2	Confident	5 Å²	5	30.8 Å²	30.8	3%	0.026	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	138.8	-179.4	-161.7	72.8	0	0	0	110.2	L336 S337 F338 L363 V459 I461 L492	L336-L430 HydrophobicContact CD1-CB 4.09Å; L336-L430 HydrophobicContact CD1-CD1 4.3Å; L336-L430 HydrophobicContact CD2-CD1 4.37Å; S337-L430 PolarHBondContact O-N 3.24Å; F338-L430 HydrophobicContact CB-CB 3.71Å; F338-L430 HydrophobicContact CB-CD2 4.01Å; F338-L430 HydrophobicContact CD1-CD2 3.73Å; F338-L430 HydrophobicContact CD2-CB 3.62Å; F338-L430 HydrophobicContact CD2-CD2 4.11Å; F338-L430 HydrophobicContact CD2-CG 4.23Å; F338-L430 VanDerWaalsContact CD2-O 3.26Å; F338-L430 WeakPolarHBondContact CD2-O 3.49Å; F338-L430 HydrophobicContact CE1-CD2 4.11Å; F338-L430 HydrophobicContact CE2-CB 4.32Å; F338-L430 HydrophobicContact CE2-CD2 4.45Å; F338-L430 HydrophobicContact CG-CB 3.77Å; F338-L430 HydrophobicContact CG-CD2 3.7Å; F338-L430 HydrophobicContact CG-CG 4.26Å; F338-L430 HydrophobicContact CZ-CD2 4.43Å; L363-L430 HydrophobicContact CD1-CD2 3.66Å; L363-L430 HydrophobicContact CD2-CD2 3.77Å; L363-L430 HydrophobicContact CG-CD2 4.39Å; L430-V459 CarbonylContact C-O 3.38Å; L430-V459 WeakPolarHBondContact CA-O 3.24Å; L430-V459 HydrophobicContact CD1-CB 4.31Å; L430-V459 HydrophobicContact CD1-CG1 4.15Å; L430-I461 HydrophobicContact CD1-CD1 3.67Å; L430-I461 HydrophobicContact CD1-CG1 3.37Å; L430-I461 HydrophobicContact CD2-CG1 4.36Å; L430-I461 HydrophobicContact CG-CG1 4.02Å; L430-L492 HydrophobicContact CD1-CD2 3.99Å
431	I	92.1	Very high	86	Confident	1 Å²	1	31 Å²	31	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.2	174	-56.8	-174.3	0	0	0	108.6	L444 Q447 L448 P458 V459 F460 I461	I431-L444 HydrophobicContact CG2-CD2 4.16Å; I431-L444 HydrophobicContact CG2-CG 3.86Å; I431-Q447 HydrophobicContact CG1-CB 4.2Å; I431-Q447 HydrophobicContact CG2-CB 4.1Å; I431-L448 VanDerWaalsContact CD1-CA 3.41Å; I431-L448 HydrophobicContact CD1-CB 3.8Å; I431-L448 HydrophobicContact CD1-CD1 3.86Å; I431-L448 HydrophobicContact CD1-CG 4.47Å; I431-P458 HydrophobicContact CD1-CB 3.6Å; I431-P458 HydrophobicContact CD1-CG 4.38Å; I431-P458 HydrophobicContact CG1-CB 4.42Å; I431-V459 PolarHBondContact N-O 2.83Å; I431-F460 HydrophobicContact CB-CD2 4.05Å; I431-F460 HydrophobicContact CG2-CD2 3.76Å; I431-F460 HydrophobicContact CG2-CE2 4Å; I431-I461 PolarHBondContact O-N 3.36Å; I431-I461 VanDerWaalsContact O-N 3.1Å
432	M	88.6	Confident	86	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.01	13%	0.131	C	C	.	.			trans	-152.4	151.5	178.6	-166.3	160.1	70.1	0	0	110.6	F338 V359 I360 L363 W413 Q447 I461	F338-M432 HydrophobicContact CE1-CE 4.33Å; F338-M432 HydrophobicContact CZ-CB 4Å; V359-M432 HydrophobicContact CG1-CE 3.92Å; V359-M432 HydrophobicContact CG1-SD 3.61Å; I360-M432 HydrophobicContact CG1-CE 4.44Å; L363-M432 HydrophobicContact CD1-CE 3.67Å; W413-M432 HydrophobicContact CE3-CB 4.45Å; W413-M432 HydrophobicContact CE3-CE 4.37Å; W413-M432 HydrophobicContact CH2-CE 3.46Å; W413-M432 VanDerWaalsContact CH2-CE 3.46Å; W413-M432 HydrophobicContact CZ3-CB 4.3Å; W413-M432 HydrophobicContact CZ3-CE 3.24Å; W413-M432 HydrophobicContact CZ3-CG 4.23Å; M432-Q447 PolarHBondContact O-NE2 2.67Å; M432-Q447 PolarHBondContact O-OE1 3.1Å; M432-I461 HydrophobicContact CG-CB 4.44Å; M432-I461 HydrophobicContact SD-CB 3.9Å; M432-I461 HydrophobicContact SD-CG2 3.96Å
433	T	81.8	Confident	85.9	Confident	3 Å²	3	26.6 Å²	26.6	2%	0.018	12%	0.123	C	C	.	.			trans	-138.4	145	173.9	-172.4	0	0	0	0	110.1	A435 S441 L444	T433-A435 VanDerWaalsContact C-N 3.34Å; T433-A435 HydrophobicContact CG2-CB 4.41Å; T433-A435 WeakPolarHBondContact OG1-CB 3.47Å; T433-A435 PolarHBondContact OG1-N 3.1Å; T433-S441 PolarHBondContact OG1-OG 2.84Å; T433-L444 HydrophobicContact CG2-CB 4.48Å; T433-L444 HydrophobicContact CG2-CD1 3.66Å
434	G	73.9	Confident	85.7	Confident	12 Å²	12	26.1 Å²	26.1	12%	0.124	12%	0.121	C	C	.	.			trans	-88.7	-1	170.4	0	0	0	0	0	113.5
435	A	71.8	Confident	85.7	Confident	8 Å²	8	24 Å²	24	7%	0.066	11%	0.112	C	C	.	.			trans	-68.1	136.1	-177.5	0	0	0	0	0	112.4	T411 D412 T433 N437 S438	T411-A435 WeakPolarHBondContact OG1-CA 3.49Å; D412-A435 VanDerWaalsContact OD1-CB 3.31Å; D412-A435 WeakPolarHBondContact OD1-CB 3.36Å; T433-A435 VanDerWaalsContact C-N 3.34Å; T433-A435 HydrophobicContact CG2-CB 4.41Å; T433-A435 WeakPolarHBondContact OG1-CB 3.47Å; T433-A435 PolarHBondContact OG1-N 3.1Å; A435-N437 PolarHBondContact O-N 3.25Å; A435-S438 PolarHBondContact O-N 3.41Å
436	K	69.3	Low	85.7	Confident	178 Å²	178	18 Å²	18	77%	0.774	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-51	174.3	-66.5	-179.9	-178.8	174.6	0	111.1	S438	K436-S438 VanDerWaalsContact C-N 3.33Å; K436-S438 PolarHBondContact O-N 2.8Å
437	N	72.2	Confident	85.6	Confident	49 Å²	49	18.3 Å²	18.3	26%	0.262	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	61.6	175.5	-69.2	-15.9	0	0	0	110.9	A435 Y439 L440 S441	A435-N437 PolarHBondContact O-N 3.25Å; N437-Y439 HydrophobicContact CB-CE1 4.08Å; N437-Y439 PolarHBondContact O-N 3.22Å; N437-Y439 VanDerWaalsContact O-N 3.11Å; N437-L440 PolarHBondContact O-N 2.91Å; N437-S441 PolarHBondContact O-N 3.19Å
438	S	71.6	Confident	85.5	Confident	6 Å²	6	18.9 Å²	18.9	4%	0.042	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-46.4	-37.6	-179.2	51.4	0	0	0	0	115.4	A435 K436 L440 S441 N464	A435-S438 PolarHBondContact O-N 3.41Å; K436-S438 VanDerWaalsContact C-N 3.33Å; K436-S438 PolarHBondContact O-N 2.8Å; S438-L440 PolarHBondContact O-N 3.49Å; S438-S441 WeakPolarHBondContact O-CB 3.45Å; S438-S441 PolarHBondContact O-N 3Å; S438-N464 WeakPolarHBondContact CB-ND2 3.35Å; S438-N464 WeakPolarHBondContact OG-CB 3.28Å; S438-N464 PolarHBondContact OG-ND2 2.69Å
439	Y	77	Confident	85.3	Confident	68 Å²	68	19 Å²	19	27%	0.267	9%	0.092	S	C	.	.	G	3₁₀ helix	trans	-61.2	-29.2	179.5	68.7	-83.6	0	0	0	113.3	F296 N437 D465 Y467	F296-Y439 HydrophobicContact CD1-CE2 4.49Å; N437-Y439 HydrophobicContact CB-CE1 4.08Å; N437-Y439 PolarHBondContact O-N 3.22Å; N437-Y439 VanDerWaalsContact O-N 3.11Å; Y439-D465 WeakPolarHBondContact CA-O 3.29Å; Y439-D465 WeakPolarHBondContact CB-O 3.31Å; Y439-Y467 HydrophobicContact CD2-CD2 4.33Å; Y439-Y467 WeakPolarHBondContact O-CB 3.49Å; Y439-Y467 PolarHBondContact O-N 3.48Å
440	L	81.8	Confident	85.1	Confident	14 Å²	14	19.1 Å²	19.1	7%	0.073	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-92.4	-5.9	175.9	-58.4	-179.6	0	0	0	113.6	F296 L303 N437 S438 L442 R445	F296-L440 HydrophobicContact CB-CD1 3.72Å; F296-L440 HydrophobicContact CB-CD2 4.38Å; F296-L440 HydrophobicContact CD1-CD1 4.25Å; F296-L440 HydrophobicContact CD1-CD2 3.63Å; F296-L440 HydrophobicContact CD2-CD2 4.49Å; F296-L440 HydrophobicContact CE1-CD2 3.95Å; F296-L440 HydrophobicContact CG-CD1 4.16Å; F296-L440 HydrophobicContact CG-CD2 3.91Å; L303-L440 HydrophobicContact CD1-CD2 3.59Å; L303-L440 HydrophobicContact CD2-CD2 4.31Å; L303-L440 HydrophobicContact CG-CD2 4.23Å; N437-L440 PolarHBondContact O-N 2.91Å; S438-L440 PolarHBondContact O-N 3.49Å; L440-L442 PolarHBondContact O-N 3.43Å; L440-L442 VanDerWaalsContact O-N 3.17Å; L440-R445 PolarHBondContact O-NH1 2.89Å; L440-R445 PolarHBondContact O-NH2 3.05Å; L440-R445 VanDerWaalsContact O-NH2 3.14Å
441	S	87.4	Confident	85	Confident	4 Å²	4	19 Å²	19	3%	0.028	9%	0.092	C	C	.	.			trans	-55.6	119.5	-176	-177.7	0	0	0	0	111.6	D412 T433 N437 S438 G443 L444 R445	D412-S441 WeakPolarHBondContact OD1-CB 3.32Å; D412-S441 PolarHBondContact OD1-OG 3.34Å; D412-S441 PolarHBondContact OD2-OG 3.11Å; T433-S441 PolarHBondContact OG1-OG 2.84Å; N437-S441 PolarHBondContact O-N 3.19Å; S438-S441 WeakPolarHBondContact O-CB 3.45Å; S438-S441 PolarHBondContact O-N 3Å; S441-G443 VanDerWaalsContact C-N 3.33Å; S441-L444 PolarHBondContact OG-N 3.25Å; S441-R445 PolarHBondContact O-N 2.99Å; S441-R445 PolarHBondContact O-NH1 3.05Å; S441-R445 VanDerWaalsContact O-NH1 3.16Å
442	L	89.5	Confident	85.1	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-67	-42.6	177	-174.2	76	0	0	0	109.5	Y289 I306 N406 D412 F414 L440 L444 R445 I446	Y289-L442 WeakPolarHBondContact O-CD1 3.46Å; I306-L442 HydrophobicContact CD1-CD1 3.33Å; I306-L442 HydrophobicContact CD1-CG 4.04Å; I306-L442 HydrophobicContact CG1-CD1 4.14Å; N406-L442 HydrophobicContact CB-CD2 3.74Å; D412-L442 PolarHBondContact OD2-N 2.99Å; F414-L442 HydrophobicContact CE1-CB 4.1Å; F414-L442 HydrophobicContact CE1-CD2 3.97Å; F414-L442 HydrophobicContact CE1-CG 4.06Å; F414-L442 HydrophobicContact CZ-CB 4.31Å; F414-L442 HydrophobicContact CZ-CD2 4.28Å; L440-L442 PolarHBondContact O-N 3.43Å; L440-L442 VanDerWaalsContact O-N 3.17Å; L442-L444 VanDerWaalsContact C-N 3.3Å; L442-L444 PolarHBondContact O-N 3.37Å; L442-R445 PolarHBondContact O-N 3.47Å; L442-I446 HydrophobicContact CD2-CD1 4.33Å; L442-I446 HydrophobicContact CG-CD1 4.04Å; L442-I446 WeakPolarHBondContact O-CG1 3.43Å; L442-I446 PolarHBondContact O-N 3.24Å
443	G	90	Very high	85.3	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.1	-43.5	178.9	0	0	0	0	0	112.8	D412 W413 F414 S441 R445 I446 Q447	D412-G443 PolarHBondContact OD2-N 3.26Å; W413-G443 CarbonylContact O-C 3.48Å; W413-G443 WeakPolarHBondContact O-CA 3.03Å; F414-G443 VanDerWaalsContact CD1-CA 3.43Å; F414-G443 VanDerWaalsContact CE1-N 3.31Å; S441-G443 VanDerWaalsContact C-N 3.33Å; G443-R445 PolarHBondContact O-N 3.26Å; G443-I446 PolarHBondContact O-N 3.23Å; G443-Q447 VanDerWaalsContact O-CG 3.3Å; G443-Q447 WeakPolarHBondContact O-CG 3.48Å; G443-Q447 PolarHBondContact O-N 2.94Å
444	L	89.9	Confident	85.8	Confident	2 Å²	2	19.6 Å²	19.6	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-59.7	-47.6	176.1	-170.3	163.7	0	0	0	112	I431 T433 S441 L442 I446 Q447 L448 F460 I466	I431-L444 HydrophobicContact CG2-CD2 4.16Å; I431-L444 HydrophobicContact CG2-CG 3.86Å; T433-L444 HydrophobicContact CG2-CB 4.48Å; T433-L444 HydrophobicContact CG2-CD1 3.66Å; S441-L444 PolarHBondContact OG-N 3.25Å; L442-L444 VanDerWaalsContact C-N 3.3Å; L442-L444 PolarHBondContact O-N 3.37Å; L444-I446 VanDerWaalsContact C-N 3.33Å; L444-I446 PolarHBondContact O-N 3.09Å; L444-Q447 PolarHBondContact O-N 3.45Å; L444-L448 PolarHBondContact O-N 3.41Å; L444-F460 HydrophobicContact CD1-CE2 3.39Å; L444-F460 HydrophobicContact CD1-CZ 3.7Å; L444-F460 HydrophobicContact CD2-CE2 3.95Å; L444-F460 HydrophobicContact CG-CE2 3.77Å; L444-I466 HydrophobicContact CD2-CB 4.47Å; L444-I466 HydrophobicContact CD2-CD1 3.97Å; L444-I466 HydrophobicContact CD2-CG1 3.86Å; L444-I466 HydrophobicContact CD2-CG2 4.08Å
445	R	91.4	Very high	86.7	Confident	24 Å²	24	19.2 Å²	19.2	9%	0.091	9%	0.092	C	C	.	.	H	α-helix	trans	-63.4	-39.2	178	-71.4	-168.5	-63.6	-71.1	-6.2	111.9	Y289 L440 S441 L442 G443 L448 I449	Y289-R445 PolarHBondContact O-NH2 3.35Å; L440-R445 PolarHBondContact O-NH1 2.89Å; L440-R445 PolarHBondContact O-NH2 3.05Å; L440-R445 VanDerWaalsContact O-NH2 3.14Å; S441-R445 PolarHBondContact O-N 2.99Å; S441-R445 PolarHBondContact O-NH1 3.05Å; S441-R445 VanDerWaalsContact O-NH1 3.16Å; L442-R445 PolarHBondContact O-N 3.47Å; G443-R445 PolarHBondContact O-N 3.26Å; R445-L448 WeakPolarHBondContact O-CB 3.24Å; R445-L448 PolarHBondContact O-N 3.12Å; R445-I449 VanDerWaalsContact O-CD1 3.31Å; R445-I449 WeakPolarHBondContact O-CD1 3.4Å; R445-I449 VanDerWaalsContact O-CG1 3.27Å; R445-I449 WeakPolarHBondContact O-CG1 3.47Å; R445-I449 PolarHBondContact O-N 2.96Å
446	I	92.6	Very high	87.8	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.4	-42.7	175.8	-65.5	176.5	0	0	0	110.8	I306 L311 L403 F414 P415 L442 G443 L444 L448 I449 N450	I306-I446 HydrophobicContact CD1-CD1 3.92Å; I306-I446 HydrophobicContact CD1-CG1 3.35Å; L311-I446 HydrophobicContact CD1-CG2 3.89Å; L311-I446 HydrophobicContact CD2-CD1 4.16Å; L311-I446 HydrophobicContact CD2-CG1 4.4Å; L311-I446 HydrophobicContact CD2-CG2 4.26Å; L403-I446 HydrophobicContact CD2-CD1 3.96Å; F414-I446 HydrophobicContact CD1-CD1 3.87Å; F414-I446 HydrophobicContact CE1-CD1 3.93Å; P415-I446 HydrophobicContact CG-CG2 3.56Å; L442-I446 HydrophobicContact CD2-CD1 4.33Å; L442-I446 HydrophobicContact CG-CD1 4.04Å; L442-I446 WeakPolarHBondContact O-CG1 3.43Å; L442-I446 PolarHBondContact O-N 3.24Å; G443-I446 PolarHBondContact O-N 3.23Å; L444-I446 VanDerWaalsContact C-N 3.33Å; L444-I446 PolarHBondContact O-N 3.09Å; I446-L448 VanDerWaalsContact C-N 3.32Å; I446-L448 PolarHBondContact O-N 2.86Å; I446-I449 PolarHBondContact O-N 3.22Å; I446-N450 VanDerWaalsContact O-CB 3.3Å; I446-N450 WeakPolarHBondContact O-CB 3.28Å; I446-N450 PolarHBondContact O-N 2.83Å
447	Q	92.9	Very high	89.2	Confident	5 Å²	5	10.5 Å²	10.5	2%	0.023	5%	0.053	C	C	.	.	H	α-helix	trans	-58.7	-44.5	174.1	-70.9	173.1	49	0	0	111.1	V340 W413 I431 M432 G443 L444 N450 C451	V340-Q447 HydrophobicContact CG1-CG 4.43Å; W413-Q447 PolarHBondContact O-NE2 2.97Å; I431-Q447 HydrophobicContact CG1-CB 4.2Å; I431-Q447 HydrophobicContact CG2-CB 4.1Å; M432-Q447 PolarHBondContact O-NE2 2.67Å; M432-Q447 PolarHBondContact O-OE1 3.1Å; G443-Q447 VanDerWaalsContact O-CG 3.3Å; G443-Q447 WeakPolarHBondContact O-CG 3.48Å; G443-Q447 PolarHBondContact O-N 2.94Å; L444-Q447 PolarHBondContact O-N 3.45Å; Q447-N450 PolarHBondContact O-N 3.03Å; Q447-C451 PolarHBondContact O-N 2.86Å; Q447-C451 PolarHBondContact O-SG 3.13Å; Q447-C451 VanDerWaalsContact O-SG 3.35Å
448	L	93.1	Very high	90.3	Very high	13 Å²	13	8.2 Å²	8.2	7%	0.068	4%	0.041	C	C	.	.	H	α-helix	trans	-58	-52.9	176.4	177.7	62.7	0	0	0	112.1	I431 L444 R445 I446 N450 C451 L452 P458 L477 I481	I431-L448 VanDerWaalsContact CD1-CA 3.41Å; I431-L448 HydrophobicContact CD1-CB 3.8Å; I431-L448 HydrophobicContact CD1-CD1 3.86Å; I431-L448 HydrophobicContact CD1-CG 4.47Å; L444-L448 PolarHBondContact O-N 3.41Å; R445-L448 WeakPolarHBondContact O-CB 3.24Å; R445-L448 PolarHBondContact O-N 3.12Å; I446-L448 VanDerWaalsContact C-N 3.32Å; I446-L448 PolarHBondContact O-N 2.86Å; L448-N450 VanDerWaalsContact C-N 3.27Å; L448-N450 PolarHBondContact O-N 3.23Å; L448-C451 PolarHBondContact O-N 3.1Å; L448-L452 HydrophobicContact CD1-CD1 4.04Å; L448-L452 HydrophobicContact CD1-CG 4.23Å; L448-L452 HydrophobicContact CG-CD1 4.09Å; L448-L452 VanDerWaalsContact O-CG 3.32Å; L448-L452 WeakPolarHBondContact O-CG 3.35Å; L448-L452 PolarHBondContact O-N 3.38Å; L448-P458 HydrophobicContact CD1-CB 3.81Å; L448-P458 HydrophobicContact CD1-CG 3.55Å; L448-L477 HydrophobicContact CD2-CD2 4.39Å; L448-I481 HydrophobicContact CD1-CG2 4Å
449	I	92.6	Very high	91.5	Very high	4 Å²	4	8 Å²	8	2%	0.021	4%	0.039	C	C	.	.	H	α-helix	trans	-59.4	-42.1	179	-64.1	154.4	0	0	0	110.2	I306 Y308 R445 I446 L452 A453 F515 L519	I306-I449 HydrophobicContact CB-CD1 3.7Å; I306-I449 HydrophobicContact CG2-CD1 4.37Å; I306-I449 WeakPolarHBondContact O-CD1 3.35Å; Y308-I449 HydrophobicContact CD2-CG2 3.79Å; Y308-I449 HydrophobicContact CG-CG2 4.35Å; R445-I449 VanDerWaalsContact O-CD1 3.31Å; R445-I449 WeakPolarHBondContact O-CD1 3.4Å; R445-I449 VanDerWaalsContact O-CG1 3.27Å; R445-I449 WeakPolarHBondContact O-CG1 3.47Å; R445-I449 PolarHBondContact O-N 2.96Å; I446-I449 PolarHBondContact O-N 3.22Å; I449-L452 PolarHBondContact O-N 2.97Å; I449-A453 WeakPolarHBondContact O-CB 3.3Å; I449-A453 PolarHBondContact O-N 3.33Å; I449-F515 HydrophobicContact CG2-CE2 4.09Å; I449-L519 HydrophobicContact CG1-CB 4.43Å; I449-L519 HydrophobicContact CG1-CD1 4Å; I449-L519 HydrophobicContact CG1-CD2 4.39Å
450	N	92.4	Very high	92.2	Very high	3 Å²	3	4.9 Å²	4.9	2%	0.016	3%	0.027	C	C	.	.	H	α-helix	trans	-65.9	-39	-179.1	-165.2	27.1	0	0	0	112.6	S419 S420 L423 I446 Q447 L448 N454	S419-N450 PolarHBondContact OG-ND2 3.34Å; S420-N450 PolarHBondContact OG-OD1 2.95Å; L423-N450 HydrophobicContact CD1-CB 4.19Å; L423-N450 WeakPolarHBondContact CD1-ND2 3.46Å; I446-N450 VanDerWaalsContact O-CB 3.3Å; I446-N450 WeakPolarHBondContact O-CB 3.28Å; I446-N450 PolarHBondContact O-N 2.83Å; Q447-N450 PolarHBondContact O-N 3.03Å; L448-N450 VanDerWaalsContact C-N 3.27Å; L448-N450 PolarHBondContact O-N 3.23Å; N450-N454 PolarHBondContact O-N 3.36Å; N450-N454 PolarHBondContact O-ND2 3.03Å; N450-N454 PolarHBondContact OD1-ND2 3.32Å; N450-N454 VanDerWaalsContact OD1-ND2 3.12Å
451	C	94.2	Very high	92.5	Very high	3 Å²	3	4.3 Å²	4.3	2%	0.02	2%	0.024	C	C	.	.	H	α-helix	trans	-60.4	-52	172.4	-71.3	0	0	0	0	111	Q447 L448 A453 N454 G455 A456 P458	Q447-C451 PolarHBondContact O-N 2.86Å; Q447-C451 PolarHBondContact O-SG 3.13Å; Q447-C451 VanDerWaalsContact O-SG 3.35Å; L448-C451 PolarHBondContact O-N 3.1Å; C451-A453 PolarHBondContact O-N 2.88Å; C451-N454 CarbonylContact O-C 3.52Å; C451-N454 PolarHBondContact O-N 3.34Å; C451-G455 PolarHBondContact O-N 3.35Å; C451-G455 VanDerWaalsContact O-N 3.12Å; C451-A456 CarbonylContact C-O 3.56Å; C451-A456 PolarHBondContact O-N 3.05Å; C451-P458 HydrophobicContact CB-CG 3.92Å
452	L	93.8	Very high	92.3	Very high	2 Å²	2	4.1 Å²	4.1	1%	0.01	2%	0.022	C	C	.	.	H	α-helix	trans	-63.6	-44	-178.2	-63.9	175.1	0	0	0	112.1	L448 I449 N454 G455 P458 Q512 L514 F515 L519	L448-L452 HydrophobicContact CD1-CD1 4.04Å; L448-L452 HydrophobicContact CD1-CG 4.23Å; L448-L452 HydrophobicContact CG-CD1 4.09Å; L448-L452 VanDerWaalsContact O-CG 3.32Å; L448-L452 WeakPolarHBondContact O-CG 3.35Å; L448-L452 PolarHBondContact O-N 3.38Å; I449-L452 PolarHBondContact O-N 2.97Å; L452-N454 PolarHBondContact O-N 3.14Å; L452-G455 PolarHBondContact O-N 3.41Å; L452-P458 HydrophobicContact CD2-CG 3.79Å; L452-P458 HydrophobicContact CG-CG 4.13Å; L452-Q512 PolarHBondContact O-NE2 2.81Å; L452-L514 HydrophobicContact CD1-CD2 3.91Å; L452-F515 HydrophobicContact CB-CB 4.07Å; L452-F515 HydrophobicContact CB-CD2 4.38Å; L452-F515 HydrophobicContact CB-CG 4.48Å; L452-L519 HydrophobicContact CD1-CD1 3.99Å
453	A	92.3	Very high	91.2	Very high	10 Å²	10	10.6 Å²	10.6	8%	0.083	6%	0.057	C	C	.	.	H	α-helix	trans	-61.8	-24.2	177.4	0	0	0	0	0	113.4	Y308 L325 I449 C451 F515	Y308-A453 HydrophobicContact CD1-CB 3.98Å; Y308-A453 HydrophobicContact CD2-CB 3.72Å; Y308-A453 HydrophobicContact CE1-CB 3.74Å; Y308-A453 HydrophobicContact CE2-CB 3.49Å; Y308-A453 VanDerWaalsContact CE2-CB 3.49Å; Y308-A453 HydrophobicContact CG-CB 3.96Å; Y308-A453 VanDerWaalsContact CZ-CB 3.49Å; L325-A453 WeakPolarHBondContact CD1-O 3.49Å; I449-A453 WeakPolarHBondContact O-CB 3.3Å; I449-A453 PolarHBondContact O-N 3.33Å; C451-A453 PolarHBondContact O-N 2.88Å; A453-F515 HydrophobicContact CB-CD2 4.2Å; A453-F515 HydrophobicContact CB-CE1 4.23Å; A453-F515 HydrophobicContact CB-CE2 3.6Å; A453-F515 HydrophobicContact CB-CZ 3.61Å
454	N	92.5	Very high	90.1	Very high	6 Å²	6	12.8 Å²	12.8	3%	0.032	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	8.6	176.2	-71.4	-81.3	0	0	0	112.7	L325 R332 S420 L423 N450 C451 L452 A456	L325-N454 WeakPolarHBondContact CD2-O 3.45Å; R332-N454 PolarHBondContact NH1-O 2.82Å; R332-N454 PolarHBondContact NH2-O 3.05Å; S420-N454 PolarHBondContact O-OD1 3.42Å; L423-N454 HydrophobicContact CB-CB 3.77Å; N450-N454 PolarHBondContact O-N 3.36Å; N450-N454 PolarHBondContact O-ND2 3.03Å; N450-N454 PolarHBondContact OD1-ND2 3.32Å; N450-N454 VanDerWaalsContact OD1-ND2 3.12Å; C451-N454 CarbonylContact O-C 3.52Å; C451-N454 PolarHBondContact O-N 3.34Å; L452-N454 PolarHBondContact O-N 3.14Å; N454-A456 PolarHBondContact O-N 2.8Å
455	G	92.5	Very high	89.1	Confident	3 Å²	3	17.4 Å²	17.4	3%	0.031	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	20.7	179.8	0	0	0	0	0	114.6	R332 C451 L452 R508	R332-G455 VanDerWaalsContact NH2-C 3.34Å; R332-G455 PolarHBondContact NH2-O 3.41Å; C451-G455 PolarHBondContact O-N 3.35Å; C451-G455 VanDerWaalsContact O-N 3.12Å; L452-G455 PolarHBondContact O-N 3.41Å; G455-R508 WeakPolarHBondContact O-CG 3.38Å; G455-R508 PolarHBondContact O-NE 3.3Å
456	A	95.2	Very high	88.3	Confident	2 Å²	2	16.7 Å²	16.7	2%	0.017	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-87.3	142.1	172	0	0	0	0	0	109.5	L423 C451 N454 P458	L423-A456 HydrophobicContact CB-CB 4.36Å; L423-A456 HydrophobicContact CD2-CB 3.97Å; C451-A456 CarbonylContact C-O 3.56Å; C451-A456 PolarHBondContact O-N 3.05Å; N454-A456 PolarHBondContact O-N 2.8Å; A456-P458 VanDerWaalsContact O-CD 3.23Å; A456-P458 WeakPolarHBondContact O-CD 3.07Å
457	I	97.8	Very high	87.5	Confident	2 Å²	2	18 Å²	18	1%	0.01	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	119.9	178.4	-62.2	176	0	0	0	109.4	T427 F428 G429 V459 I482 I504 I507 R508	T427-I457 PolarHBondContact O-N 3.07Å; F428-I457 CarbonylContact C-O 3.53Å; F428-I457 WeakPolarHBondContact CA-O 3.33Å; F428-I457 HydrophobicContact CD1-CB 3.62Å; F428-I457 HydrophobicContact CD1-CD1 4.29Å; F428-I457 HydrophobicContact CD1-CG1 4.46Å; F428-I457 HydrophobicContact CD1-CG2 3.9Å; F428-I457 HydrophobicContact CE1-CB 3.94Å; F428-I457 HydrophobicContact CE1-CD1 3.73Å; F428-I457 HydrophobicContact CE1-CG1 4.37Å; F428-I457 HydrophobicContact CE1-CG2 4.06Å; F428-I457 HydrophobicContact CZ-CD1 4.44Å; G429-I457 PolarHBondContact N-O 3.39Å; I457-V459 PolarHBondContact O-N 3.08Å; I457-I482 HydrophobicContact CG2-CD1 3.72Å; I457-I482 HydrophobicContact CG2-CG1 4.02Å; I457-I504 HydrophobicContact CD1-CB 4.23Å; I457-I504 HydrophobicContact CD1-CG1 4.43Å; I457-I504 HydrophobicContact CD1-CG2 3.79Å; I457-I507 HydrophobicContact CB-CG2 4.33Å; I457-I507 HydrophobicContact CD1-CB 3.87Å; I457-I507 HydrophobicContact CD1-CD1 4.37Å; I457-I507 HydrophobicContact CD1-CG2 3.8Å; I457-I507 HydrophobicContact CG1-CB 4.29Å; I457-I507 HydrophobicContact CG1-CG2 3.78Å; I457-I507 HydrophobicContact CG2-CG2 3.7Å; I457-R508 HydrophobicContact CD1-CG 3.95Å; I457-R508 HydrophobicContact CG1-CG 3.53Å
458	P	96.5	Very high	86.7	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.006	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	123.5	171.1	-27.9	38	0	0	0	112.8	G429 I431 L448 C451 L452 A456 V480 I481 I482	G429-P458 WeakPolarHBondContact O-CA 3.31Å; I431-P458 HydrophobicContact CD1-CB 3.6Å; I431-P458 HydrophobicContact CD1-CG 4.38Å; I431-P458 HydrophobicContact CG1-CB 4.42Å; L448-P458 HydrophobicContact CD1-CB 3.81Å; L448-P458 HydrophobicContact CD1-CG 3.55Å; C451-P458 HydrophobicContact CB-CG 3.92Å; L452-P458 HydrophobicContact CD2-CG 3.79Å; L452-P458 HydrophobicContact CG-CG 4.13Å; A456-P458 VanDerWaalsContact O-CD 3.23Å; A456-P458 WeakPolarHBondContact O-CD 3.07Å; P458-V480 WeakPolarHBondContact CD-O 3.43Å; P458-I481 HydrophobicContact CB-CB 4.13Å; P458-I481 HydrophobicContact CB-CG2 3.76Å; P458-I481 HydrophobicContact CG-CG2 4.15Å; P458-I482 PolarHBondContact O-N 3.28Å
459	V	95.9	Very high	86	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	106.3	172.6	-178.4	0	0	0	0	109.4	F428 G429 L430 I431 I457 I461 I482 V484 L492 L496	F428-V459 HydrophobicContact CB-CG2 3.72Å; F428-V459 HydrophobicContact CD1-CG2 3.67Å; F428-V459 HydrophobicContact CG-CG2 4.02Å; G429-V459 PolarHBondContact O-N 3.43Å; L430-V459 CarbonylContact C-O 3.38Å; L430-V459 WeakPolarHBondContact CA-O 3.24Å; L430-V459 HydrophobicContact CD1-CB 4.31Å; L430-V459 HydrophobicContact CD1-CG1 4.15Å; I431-V459 PolarHBondContact N-O 2.83Å; I457-V459 PolarHBondContact O-N 3.08Å; V459-I461 HydrophobicContact CG1-CD1 4.25Å; V459-I482 CarbonylContact C-O 3.53Å; V459-I482 WeakPolarHBondContact CA-O 3.42Å; V459-I482 HydrophobicContact CG1-CG2 4.45Å; V459-I482 HydrophobicContact CG2-CB 4.26Å; V459-I482 HydrophobicContact CG2-CD1 4.32Å; V459-V484 HydrophobicContact CG1-CG2 4.1Å; V459-L492 HydrophobicContact CG1-CD1 3.91Å; V459-L496 HydrophobicContact CG1-CD2 4.33Å; V459-L496 HydrophobicContact CG2-CD1 4.28Å; V459-L496 HydrophobicContact CG2-CD2 3.74Å
460	F	91.7	Very high	85.6	Confident	3 Å²	3	21.6 Å²	21.6	1%	0.013	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	121.4	-176.2	-164.7	-98.8	0	0	0	111.6	I431 L444 G462 N464 I466 I482 R483 V484	I431-F460 HydrophobicContact CB-CD2 4.05Å; I431-F460 HydrophobicContact CG2-CD2 3.76Å; I431-F460 HydrophobicContact CG2-CE2 4Å; L444-F460 HydrophobicContact CD1-CE2 3.39Å; L444-F460 HydrophobicContact CD1-CZ 3.7Å; L444-F460 HydrophobicContact CD2-CE2 3.95Å; L444-F460 HydrophobicContact CG-CE2 3.77Å; F460-G462 VanDerWaalsContact CD1-O 3.24Å; F460-G462 WeakPolarHBondContact CD1-O 3.3Å; F460-G462 WeakPolarHBondContact CE1-O 3.42Å; F460-N464 HydrophobicContact CE1-CB 4Å; F460-N464 WeakPolarHBondContact CE1-O 3.36Å; F460-N464 HydrophobicContact CZ-CB 4.03Å; F460-N464 WeakPolarHBondContact CZ-O 3.46Å; F460-I466 HydrophobicContact CD2-CD1 3.79Å; F460-I466 HydrophobicContact CD2-CG1 4.08Å; F460-I466 HydrophobicContact CE2-CD1 4.02Å; F460-I466 HydrophobicContact CE2-CG1 3.84Å; F460-I466 HydrophobicContact CG-CD1 4.36Å; F460-I466 HydrophobicContact CZ-CG1 4.14Å; F460-I482 PolarHBondContact N-O 3.11Å; F460-R483 HydrophobicContact CB-CG 4.34Å; F460-V484 PolarHBondContact O-N 3.15Å
461	I	89.2	Confident	85.4	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	115.3	176.1	-55.1	-55.6	0	0	0	111	V359 L430 I431 M432 V459 V484 R486 L492	V359-I461 HydrophobicContact CG1-CG2 4.06Å; L430-I461 HydrophobicContact CD1-CD1 3.67Å; L430-I461 HydrophobicContact CD1-CG1 3.37Å; L430-I461 HydrophobicContact CD2-CG1 4.36Å; L430-I461 HydrophobicContact CG-CG1 4.02Å; I431-I461 PolarHBondContact O-N 3.36Å; I431-I461 VanDerWaalsContact O-N 3.1Å; M432-I461 HydrophobicContact CG-CB 4.44Å; M432-I461 HydrophobicContact SD-CB 3.9Å; M432-I461 HydrophobicContact SD-CG2 3.96Å; V459-I461 HydrophobicContact CG1-CD1 4.25Å; I461-V484 WeakPolarHBondContact CA-O 3.44Å; I461-V484 HydrophobicContact CD1-CB 3.81Å; I461-V484 HydrophobicContact CD1-CG1 4.32Å; I461-V484 HydrophobicContact CD1-CG2 4.49Å; I461-R486 HydrophobicContact CG2-CG 3.94Å; I461-L492 HydrophobicContact CD1-CD1 4.27Å; I461-L492 HydrophobicContact CD1-CD2 4.22Å
462	G	82.2	Confident	85.1	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	110.3	166.9	179.2	0	0	0	0	0	114.2	F460 N464 V484	F460-G462 VanDerWaalsContact CD1-O 3.24Å; F460-G462 WeakPolarHBondContact CD1-O 3.3Å; F460-G462 WeakPolarHBondContact CE1-O 3.42Å; G462-N464 VanDerWaalsContact C-N 3.26Å; G462-N464 PolarHBondContact O-N 2.82Å; G462-V484 PolarHBondContact N-O 3.09Å
463	N	67.5	Low	84.7	Confident	137 Å²	137	24.8 Å²	24.8	73%	0.733	14%	0.135	S	C	*	.	S	Bend	trans	-90.4	9	-177.4	-121.1	31.7	0	0	0	113.4	D465	N463-D465 PolarHBondContact O-N 3.27Å
464	N	66	Low	84.2	Confident	47 Å²	47	28.5 Å²	28.5	25%	0.251	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-64	127.6	-179.7	-77.7	-2.7	0	0	0	110	S438 F460 G462 I466 R483	S438-N464 WeakPolarHBondContact CB-ND2 3.35Å; S438-N464 WeakPolarHBondContact OG-CB 3.28Å; S438-N464 PolarHBondContact OG-ND2 2.69Å; F460-N464 HydrophobicContact CE1-CB 4Å; F460-N464 WeakPolarHBondContact CE1-O 3.36Å; F460-N464 HydrophobicContact CZ-CB 4.03Å; F460-N464 WeakPolarHBondContact CZ-O 3.46Å; G462-N464 VanDerWaalsContact C-N 3.26Å; G462-N464 PolarHBondContact O-N 2.82Å; N464-I466 PolarHBondContact O-N 2.78Å; N464-R483 PolarHBondContact O-NH1 2.68Å
465	D	68.3	Low	83.7	Confident	99 Å²	99	32.2 Å²	32.2	53%	0.529	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-62.4	127.8	175	-73.7	-28.7	0	0	0	108.5	Y439 N463	Y439-D465 WeakPolarHBondContact CA-O 3.29Å; Y439-D465 WeakPolarHBondContact CB-O 3.31Å; N463-D465 PolarHBondContact O-N 3.27Å
466	I	74.8	Confident	83.4	Confident	9 Å²	9	32.8 Å²	32.8	5%	0.046	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-72.7	127.2	158.8	-58	-173.6	0	0	0	103.7	L444 F460 N464 S468 L477 I481	L444-I466 HydrophobicContact CD2-CB 4.47Å; L444-I466 HydrophobicContact CD2-CD1 3.97Å; L444-I466 HydrophobicContact CD2-CG1 3.86Å; L444-I466 HydrophobicContact CD2-CG2 4.08Å; F460-I466 HydrophobicContact CD2-CD1 3.79Å; F460-I466 HydrophobicContact CD2-CG1 4.08Å; F460-I466 HydrophobicContact CE2-CD1 4.02Å; F460-I466 HydrophobicContact CE2-CG1 3.84Å; F460-I466 HydrophobicContact CG-CD1 4.36Å; F460-I466 HydrophobicContact CZ-CG1 4.14Å; N464-I466 PolarHBondContact O-N 2.78Å; I466-S468 PolarHBondContact O-N 2.9Å; I466-L477 HydrophobicContact CG2-CD1 4.45Å; I466-I481 HydrophobicContact CD1-CD1 3.98Å
467	Y	75.9	Confident	83	Confident	26 Å²	26	32.9 Å²	32.9	10%	0.102	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-55	119	175.8	175.9	-100	0	0	0	108.7	F296 L303 Y439 D469 R536	F296-Y467 HydrophobicContact CE1-CD2 4.2Å; F296-Y467 AromaticContact CE1-CE2 3.69Å; F296-Y467 HydrophobicContact CE1-CE2 3.69Å; F296-Y467 HydrophobicContact CZ-CE1 4.35Å; F296-Y467 AromaticContact CZ-CE2 3.8Å; F296-Y467 HydrophobicContact CZ-CE2 3.8Å; F296-Y467 AromaticContact CZ-CZ 3.7Å; L303-Y467 HydrophobicContact CB-CD1 4.12Å; L303-Y467 HydrophobicContact CB-CE1 4.08Å; L303-Y467 HydrophobicContact CD1-CD1 3.45Å; L303-Y467 VanDerWaalsContact CD1-CD1 3.45Å; L303-Y467 HydrophobicContact CD1-CE1 4.05Å; L303-Y467 HydrophobicContact CD1-CG 3.71Å; L303-Y467 HydrophobicContact CG-CD1 4.11Å; L303-Y467 HydrophobicContact CG-CE1 4.22Å; Y439-Y467 HydrophobicContact CD2-CD2 4.33Å; Y439-Y467 WeakPolarHBondContact O-CB 3.49Å; Y439-Y467 PolarHBondContact O-N 3.48Å; Y467-D469 HydrophobicContact CE1-CB 3.74Å; Y467-R536 PolarHBondContact OH-NH2 2.71Å
468	S	76.3	Confident	82.6	Confident	41 Å²	41	36.3 Å²	36.3	29%	0.287	20%	0.204	S	C	.	.			trans	-112.9	123.7	178.7	174.7	0	0	0	0	106.3	I466 I472 N473 S474	I466-S468 PolarHBondContact O-N 2.9Å; S468-I472 PolarHBondContact OG-O 3.13Å; S468-N473 WeakPolarHBondContact OG-CA 3.42Å; S468-S474 PolarHBondContact OG-N 2.74Å
469	D	79.4	Confident	82.3	Confident	18 Å²	18	38.9 Å²	38.9	10%	0.096	22%	0.215	C	C	.	.			trans	-99.5	-178.5	174.5	61.7	30.9	0	0	0	110.7	Y467 A471 I472 N473	Y467-D469 HydrophobicContact CE1-CB 3.74Å; D469-A471 PolarHBondContact O-N 3.11Å; D469-A471 WeakPolarHBondContact OD1-CA 3.44Å; D469-A471 WeakPolarHBondContact OD1-CB 3.43Å; D469-A471 PolarHBondContact OD1-N 3.13Å; D469-I472 PolarHBondContact N-O 2.91Å; D469-I472 CarbonylContact O-C 3.51Å; D469-I472 VanDerWaalsContact O-C 3.29Å; D469-I472 PolarHBondContact OD1-N 3.39Å; D469-N473 WeakPolarHBondContact O-CA 3.26Å; D469-N473 PolarHBondContact O-N 3.01Å
470	E	84.1	Confident	82.2	Confident	39 Å²	39	39 Å²	39	18%	0.182	22%	0.216	C	C	.	.	S	Bend	trans	-68.7	-15.2	179.7	-64.9	88.9	157.7	0	0	113.4	R535 R536 R602	E470-R535 HydrophobicContact CB-CB 3.65Å; E470-R535 HydrophobicContact CG-CB 4.4Å; E470-R535 WeakPolarHBondContact O-CD 3.41Å; E470-R535 PolarHBondContact O-NH1 3.35Å; E470-R536 HydrophobicContact CG-CB 4.46Å; E470-R536 IonicContact OE1-CZ 2.78Å; E470-R536 IonicContact OE1-NE 2.97Å; E470-R536 PolarHBondContact OE1-NE 3.05Å; E470-R536 IonicContact OE1-NH2 3.44Å; E470-R536 IonicContact OE2-CZ 3.31Å; E470-R536 IonicContact OE2-NE 3.34Å; E470-R536 PolarHBondContact OE2-NE 3.36Å; E470-R536 VanDerWaalsContact OE2-NE 3.16Å; E470-R536 IonicContact OE2-NH2 3.95Å; E470-R536 PolarHBondContact OE2-NH2 2.95Å; E470-R602 IonicContact OE1-CZ 2.82Å; E470-R602 IonicContact OE1-NH2 3.55Å; E470-R602 PolarHBondContact OE1-NH2 3.32Å
471	A	87.5	Confident	82.2	Confident	2 Å²	2	39.4 Å²	39.4	2%	0.017	22%	0.218	C	C	.	.	S	Bend	trans	-87	-50.7	175	0	0	0	0	0	111.7	D469 T528 L531 A532	D469-A471 PolarHBondContact O-N 3.11Å; D469-A471 WeakPolarHBondContact OD1-CA 3.44Å; D469-A471 WeakPolarHBondContact OD1-CB 3.43Å; D469-A471 PolarHBondContact OD1-N 3.13Å; A471-T528 HydrophobicContact CB-CG2 3.77Å; A471-T528 WeakPolarHBondContact CB-O 3.47Å; A471-L531 HydrophobicContact CB-CB 4.19Å; A471-L531 HydrophobicContact CB-CD2 3.91Å; A471-L531 HydrophobicContact CB-CG 4.02Å; A471-A532 HydrophobicContact CB-CB 3.84Å
472	I	88.3	Confident	82.5	Confident	19 Å²	19	40.8 Å²	40.8	10%	0.097	23%	0.225	C	C	.	.	S	Bend	trans	-108.1	82.4	176.3	-53.8	177.4	0	0	0	107.9	S468 D469 L476 L477 L514 Y518 L519 T528	S468-I472 PolarHBondContact OG-O 3.13Å; D469-I472 PolarHBondContact N-O 2.91Å; D469-I472 CarbonylContact O-C 3.51Å; D469-I472 VanDerWaalsContact O-C 3.29Å; D469-I472 PolarHBondContact OD1-N 3.39Å; I472-L476 HydrophobicContact CG2-CD2 4.43Å; I472-L477 HydrophobicContact CG2-CD1 4.11Å; I472-L477 HydrophobicContact CG2-CD2 3.76Å; I472-L477 HydrophobicContact CG2-CG 3.71Å; I472-L514 HydrophobicContact CG2-CD1 4.38Å; I472-Y518 HydrophobicContact CD1-CG 4.23Å; I472-Y518 HydrophobicContact CG1-CD1 4.28Å; I472-Y518 HydrophobicContact CG1-CD2 4.45Å; I472-Y518 HydrophobicContact CG1-CG 4.07Å; I472-L519 HydrophobicContact CD1-CD2 4.06Å; I472-L519 HydrophobicContact CD1-CG 4.41Å; I472-T528 HydrophobicContact CD1-CG2 4.3Å; I472-T528 HydrophobicContact CG1-CG2 4.3Å
473	N	83.9	Confident	82.9	Confident	55 Å²	55	45.5 Å²	45.5	29%	0.294	24%	0.243	S	C	.	.			trans	-75.8	170.3	-176.8	72.8	16.5	0	0	0	112.5	S468 D469 E475 L476 L477	S468-N473 WeakPolarHBondContact OG-CA 3.42Å; D469-N473 WeakPolarHBondContact O-CA 3.26Å; D469-N473 PolarHBondContact O-N 3.01Å; N473-E475 VanDerWaalsContact C-N 3.32Å; N473-E475 PolarHBondContact O-N 3.07Å; N473-E475 PolarHBondContact OD1-N 3.46Å; N473-L476 PolarHBondContact O-N 3.4Å; N473-L476 VanDerWaalsContact OD1-CB 3.29Å; N473-L476 WeakPolarHBondContact OD1-CB 3.24Å; N473-L476 PolarHBondContact OD1-N 2.87Å; N473-L477 PolarHBondContact O-N 2.9Å; N473-L477 VanDerWaalsContact O-N 3.12Å
474	S	82.3	Confident	84.1	Confident	87 Å²	87	39.2 Å²	39.2	61%	0.608	21%	0.21	S	C	*	.	H	α-helix	trans	-66.9	-32.9	-176.4	54.4	0	0	0	0	112.9	S468 L477 S478	S468-S474 PolarHBondContact OG-N 2.74Å; S474-L477 PolarHBondContact O-N 2.95Å; S474-S478 WeakPolarHBondContact O-CB 3.19Å; S474-S478 PolarHBondContact O-N 3.41Å
475	E	82.2	Confident	85.2	Confident	84 Å²	84	39.6 Å²	39.6	39%	0.393	21%	0.214	S	C	.	.	H	α-helix	trans	-63.4	-49.9	176.3	-172	-172.2	158.9	0	0	111	N473 L477 S478 K479	N473-E475 VanDerWaalsContact C-N 3.32Å; N473-E475 PolarHBondContact O-N 3.07Å; N473-E475 PolarHBondContact OD1-N 3.46Å; E475-L477 VanDerWaalsContact C-N 3.32Å; E475-L477 PolarHBondContact O-N 3.19Å; E475-S478 WeakPolarHBondContact O-CB 3.48Å; E475-S478 PolarHBondContact O-N 3.24Å; E475-S478 VanDerWaalsContact O-N 3.14Å; E475-S478 PolarHBondContact O-OG 2.82Å; E475-K479 PolarHBondContact O-N 3.48Å; E475-K479 IonicContact OE1-NZ 3.27Å; E475-K479 PolarHBondContact OE1-NZ 2.86Å
476	L	85.9	Confident	86.2	Confident	15 Å²	15	36.7 Å²	36.7	8%	0.079	20%	0.196	C	C	.	.	H	α-helix	trans	-60.4	-43.6	177.7	-178.1	65.2	0	0	0	111	I472 N473 S478 K479 L514 Y518 D614	I472-L476 HydrophobicContact CG2-CD2 4.43Å; N473-L476 PolarHBondContact O-N 3.4Å; N473-L476 VanDerWaalsContact OD1-CB 3.29Å; N473-L476 WeakPolarHBondContact OD1-CB 3.24Å; N473-L476 PolarHBondContact OD1-N 2.87Å; L476-S478 VanDerWaalsContact C-N 3.33Å; L476-S478 PolarHBondContact O-N 2.81Å; L476-K479 PolarHBondContact O-N 3.15Å; L476-L514 HydrophobicContact CD2-CD1 4.06Å; L476-L514 HydrophobicContact CD2-CG 4.34Å; L476-L514 HydrophobicContact CG-CD1 3.89Å; L476-Y518 HydrophobicContact CD2-CD2 4.5Å; L476-Y518 HydrophobicContact CD2-CE2 3.81Å; L476-D614 HydrophobicContact CD1-CB 4.28Å
477	L	88.3	Confident	86.8	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-37.7	176.1	-75.7	172.8	0	0	0	112.5	L448 I466 I472 N473 S474 E475 K479 V480 I481 L514	L448-L477 HydrophobicContact CD2-CD2 4.39Å; I466-L477 HydrophobicContact CG2-CD1 4.45Å; I472-L477 HydrophobicContact CG2-CD1 4.11Å; I472-L477 HydrophobicContact CG2-CD2 3.76Å; I472-L477 HydrophobicContact CG2-CG 3.71Å; N473-L477 PolarHBondContact O-N 2.9Å; N473-L477 VanDerWaalsContact O-N 3.12Å; S474-L477 PolarHBondContact O-N 2.95Å; E475-L477 VanDerWaalsContact C-N 3.32Å; E475-L477 PolarHBondContact O-N 3.19Å; L477-K479 PolarHBondContact O-N 3.48Å; L477-K479 VanDerWaalsContact O-N 3.14Å; L477-V480 HydrophobicContact CD2-CG2 4.17Å; L477-V480 WeakPolarHBondContact O-CG2 3.14Å; L477-V480 PolarHBondContact O-N 3.49Å; L477-I481 HydrophobicContact CB-CD1 4.25Å; L477-I481 WeakPolarHBondContact O-CG1 3.44Å; L477-I481 PolarHBondContact O-N 2.85Å; L477-L514 HydrophobicContact CD2-CD1 4.29Å
478	S	89.2	Confident	87.5	Confident	75 Å²	75	45.1 Å²	45.1	52%	0.524	24%	0.24	S	C	.	.	H	α-helix	trans	-62.2	-20.9	180	76.5	0	0	0	0	113.8	S474 E475 L476	S474-S478 WeakPolarHBondContact O-CB 3.19Å; S474-S478 PolarHBondContact O-N 3.41Å; E475-S478 WeakPolarHBondContact O-CB 3.48Å; E475-S478 PolarHBondContact O-N 3.24Å; E475-S478 VanDerWaalsContact O-N 3.14Å; E475-S478 PolarHBondContact O-OG 2.82Å; L476-S478 VanDerWaalsContact C-N 3.33Å; L476-S478 PolarHBondContact O-N 2.81Å
479	K	90	Very high	88.2	Confident	55 Å²	55	43.5 Å²	43.5	24%	0.239	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-15.4	176.9	-64	168.9	-172.5	168.8	0	113	E475 L476 L477 D614	E475-K479 PolarHBondContact O-N 3.48Å; E475-K479 IonicContact OE1-NZ 3.27Å; E475-K479 PolarHBondContact OE1-NZ 2.86Å; L476-K479 PolarHBondContact O-N 3.15Å; L477-K479 PolarHBondContact O-N 3.48Å; L477-K479 VanDerWaalsContact O-N 3.14Å; K479-D614 WeakPolarHBondContact CD-OD2 3.39Å; K479-D614 VanDerWaalsContact CE-OD2 3.32Å; K479-D614 WeakPolarHBondContact CE-OD2 3.47Å; K479-D614 VanDerWaalsContact NZ-CG 3.28Å; K479-D614 IonicContact NZ-OD1 2.77Å; K479-D614 IonicContact NZ-OD2 3.9Å; K479-D614 PolarHBondContact NZ-OD2 3.28Å
480	V	92.7	Very high	88.7	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-17.9	-175.2	-57.2	0	0	0	0	114.4	P458 L477 Q510 L514	P458-V480 WeakPolarHBondContact CD-O 3.43Å; L477-V480 HydrophobicContact CD2-CG2 4.17Å; L477-V480 WeakPolarHBondContact O-CG2 3.14Å; L477-V480 PolarHBondContact O-N 3.49Å; V480-Q510 HydrophobicContact CG1-CB 3.69Å; V480-L514 HydrophobicContact CB-CD1 4.43Å; V480-L514 HydrophobicContact CG1-CB 4.43Å; V480-L514 HydrophobicContact CG1-CD1 4.01Å; V480-L514 HydrophobicContact CG2-CD1 3.64Å
481	I	93.2	Very high	89	Confident	12 Å²	12	51.3 Å²	51.3	6%	0.062	26%	0.264	C	S	.	.			trans	-118.9	148.5	-177.8	77.6	-171.1	0	0	0	111.9	L448 P458 I466 L477 R483	L448-I481 HydrophobicContact CD1-CG2 4Å; P458-I481 HydrophobicContact CB-CB 4.13Å; P458-I481 HydrophobicContact CB-CG2 3.76Å; P458-I481 HydrophobicContact CG-CG2 4.15Å; I466-I481 HydrophobicContact CD1-CD1 3.98Å; L477-I481 HydrophobicContact CB-CD1 4.25Å; L477-I481 WeakPolarHBondContact O-CG1 3.44Å; L477-I481 PolarHBondContact O-N 2.85Å; I481-R483 HydrophobicContact CD1-CG 4.23Å; I481-R483 HydrophobicContact CG1-CG 4.26Å
482	I	94.3	Very high	89.2	Confident	32 Å²	32	51.2 Å²	51.2	16%	0.164	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	130	168.8	-64.1	167	0	0	0	108	F428 I457 P458 V459 F460 V484 L496 L499	F428-I482 HydrophobicContact CD1-CD1 3.87Å; F428-I482 HydrophobicContact CE1-CD1 3.46Å; F428-I482 VanDerWaalsContact CE1-CD1 3.46Å; F428-I482 HydrophobicContact CZ-CD1 4.49Å; I457-I482 HydrophobicContact CG2-CD1 3.72Å; I457-I482 HydrophobicContact CG2-CG1 4.02Å; P458-I482 PolarHBondContact O-N 3.28Å; V459-I482 CarbonylContact C-O 3.53Å; V459-I482 WeakPolarHBondContact CA-O 3.42Å; V459-I482 HydrophobicContact CG1-CG2 4.45Å; V459-I482 HydrophobicContact CG2-CB 4.26Å; V459-I482 HydrophobicContact CG2-CD1 4.32Å; F460-I482 PolarHBondContact N-O 3.11Å; I482-V484 HydrophobicContact CG2-CG2 4.06Å; I482-L496 HydrophobicContact CD1-CD2 4.01Å; I482-L496 HydrophobicContact CG2-CD2 4.49Å; I482-L499 HydrophobicContact CD1-CD1 3.47Å; I482-L499 VanDerWaalsContact CD1-CD1 3.47Å
483	R	91.8	Very high	89.3	Confident	98 Å²	98	51.3 Å²	51.3	37%	0.37	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.8	175.7	-64.5	179.4	179.4	-92.2	2.8	109.9	F460 N464 I481	F460-R483 HydrophobicContact CB-CG 4.34Å; N464-R483 PolarHBondContact O-NH1 2.68Å; I481-R483 HydrophobicContact CD1-CG 4.23Å; I481-R483 HydrophobicContact CG1-CG 4.26Å
484	V	91.7	Very high	89.7	Confident	6 Å²	6	51.7 Å²	51.7	4%	0.036	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	121	176.6	-176.9	0	0	0	0	108.5	V459 F460 I461 G462 I482 R488 L492 L495	V459-V484 HydrophobicContact CG1-CG2 4.1Å; F460-V484 PolarHBondContact O-N 3.15Å; I461-V484 WeakPolarHBondContact CA-O 3.44Å; I461-V484 HydrophobicContact CD1-CB 3.81Å; I461-V484 HydrophobicContact CD1-CG1 4.32Å; I461-V484 HydrophobicContact CD1-CG2 4.49Å; G462-V484 PolarHBondContact N-O 3.09Å; I482-V484 HydrophobicContact CG2-CG2 4.06Å; V484-R488 HydrophobicContact CG1-CB 4.16Å; V484-L492 HydrophobicContact CB-CD1 4.46Å; V484-L492 HydrophobicContact CG1-CD1 4.41Å; V484-L492 HydrophobicContact CG2-CD1 3.89Å; V484-L495 HydrophobicContact CG1-CD1 4.26Å
485	P	90	Very high	90.2	Very high	54 Å²	54	50 Å²	50	35%	0.351	26%	0.26	S	S	.	.			trans	-58.2	141.4	174.4	-24.7	34.8	0	0	0	111.4	P487 R488	P485-P487 VanDerWaalsContact C-CD 3.43Å; P485-P487 VanDerWaalsContact C-N 3.31Å; P485-R488 PolarHBondContact O-N 2.71Å
486	R	87.9	Confident	90.8	Very high	39 Å²	39	46 Å²	46	15%	0.147	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-47.6	-44.9	178.8	-75.7	169.9	-176.4	-168.7	-9.8	113.7	L355 D356 V359 I461 R488 V489	L355-R486 HydrophobicContact CD2-CB 4.04Å; L355-R486 HydrophobicContact CG-CB 4.26Å; D356-R486 IonicContact OD1-CZ 3.45Å; D356-R486 IonicContact OD1-NE 3.87Å; D356-R486 IonicContact OD1-NH1 3.27Å; D356-R486 PolarHBondContact OD1-NH1 3.03Å; D356-R486 IonicContact OD1-NH2 3.66Å; D356-R486 PolarHBondContact OD1-NH2 2.83Å; V359-R486 HydrophobicContact CG2-CB 3.92Å; V359-R486 HydrophobicContact CG2-CG 4.1Å; I461-R486 HydrophobicContact CG2-CG 3.94Å; R486-R488 PolarHBondContact O-N 2.98Å; R486-V489 WeakPolarHBondContact O-CB 3.34Å; R486-V489 PolarHBondContact O-N 2.86Å
487	P	88	Confident	91.2	Very high	101 Å²	101	49.9 Å²	49.9	66%	0.656	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-65.6	-17.8	179.9	-22.9	35.6	0	0	0	115	P485	P485-P487 VanDerWaalsContact C-CD 3.43Å; P485-P487 VanDerWaalsContact C-N 3.31Å
488	R	91	Very high	91.5	Very high	111 Å²	111	53.7 Å²	53.7	42%	0.419	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-96.8	12.3	-180	-66.1	-169.4	68.8	-172.1	2.9	113.2	V484 P485 R486 E490 E491	V484-R488 HydrophobicContact CG1-CB 4.16Å; P485-R488 PolarHBondContact O-N 2.71Å; R486-R488 PolarHBondContact O-N 2.98Å; R488-E490 PolarHBondContact O-N 3.3Å; R488-E490 VanDerWaalsContact O-N 3.17Å; R488-E491 IonicContact CZ-OE2 3.23Å; R488-E491 VanDerWaalsContact CZ-OE2 3.23Å; R488-E491 IonicContact NE-OE2 3.23Å; R488-E491 PolarHBondContact NE-OE2 2.92Å; R488-E491 IonicContact NH2-OE2 2.72Å; R488-E491 PolarHBondContact NH2-OE2 3.29Å; R488-E491 PolarHBondContact O-N 3.3Å; R488-E491 VanDerWaalsContact O-N 3.15Å
489	V	90.6	Very high	91.8	Very high	6 Å²	6	52 Å²	52	4%	0.036	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-60.8	-25.4	-179.5	76.2	0	0	0	0	112.3	V359 H362 L363 R486 E491 L492	V359-V489 HydrophobicContact CG1-CG2 4.26Å; V359-V489 HydrophobicContact CG2-CG1 4.42Å; H362-V489 HydrophobicContact CB-CG1 3.86Å; L363-V489 HydrophobicContact CD2-CG2 3.91Å; L363-V489 HydrophobicContact CG-CG2 4.21Å; R486-V489 WeakPolarHBondContact O-CB 3.34Å; R486-V489 PolarHBondContact O-N 2.86Å; V489-E491 VanDerWaalsContact C-N 3.28Å; V489-E491 PolarHBondContact O-N 3.11Å; V489-L492 HydrophobicContact CG2-CD2 4.35Å; V489-L492 WeakPolarHBondContact O-CB 3.34Å; V489-L492 PolarHBondContact O-N 3.08Å; V489-L492 VanDerWaalsContact O-N 3.16Å
490	E	89.8	Confident	92.1	Very high	127 Å²	127	52.5 Å²	52.5	59%	0.593	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-65.3	-33.3	178.5	-40.9	-161.3	145.2	0	0	112.9	H362 R488 L492	H362-E490 WeakPolarHBondContact CE1-CG 3.39Å; H362-E490 IonicContact CE1-OE1 2.67Å; H362-E490 PolarHBondContact CE1-OE1 2.87Å; H362-E490 VanDerWaalsContact CE1-OE1 3.23Å; H362-E490 IonicContact ND1-OE1 2.64Å; H362-E490 PolarHBondContact ND1-OE1 3.43Å; H362-E490 WeakPolarHBondContact NE2-CA 3.18Å; H362-E490 VanDerWaalsContact NE2-CB 3.32Å; H362-E490 WeakPolarHBondContact NE2-CB 3.45Å; H362-E490 WeakPolarHBondContact NE2-CG 3.36Å; R488-E490 PolarHBondContact O-N 3.3Å; R488-E490 VanDerWaalsContact O-N 3.17Å; E490-L492 VanDerWaalsContact C-N 3.25Å; E490-L492 PolarHBondContact O-N 3.38Å
491	E	90.4	Very high	92.2	Very high	94 Å²	94	56.7 Å²	56.7	44%	0.439	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-85.1	-1.5	179.6	-60.6	170.7	-167	0	0	112.1	R488 V489 A494 L495	R488-E491 IonicContact CZ-OE2 3.23Å; R488-E491 VanDerWaalsContact CZ-OE2 3.23Å; R488-E491 IonicContact NE-OE2 3.23Å; R488-E491 PolarHBondContact NE-OE2 2.92Å; R488-E491 IonicContact NH2-OE2 2.72Å; R488-E491 PolarHBondContact NH2-OE2 3.29Å; R488-E491 PolarHBondContact O-N 3.3Å; R488-E491 VanDerWaalsContact O-N 3.15Å; V489-E491 VanDerWaalsContact C-N 3.28Å; V489-E491 PolarHBondContact O-N 3.11Å; E491-A494 PolarHBondContact O-N 3.17Å; E491-A494 VanDerWaalsContact O-N 3.08Å; E491-L495 HydrophobicContact CB-CD1 4.09Å; E491-L495 HydrophobicContact CB-CG 4.17Å; E491-L495 WeakPolarHBondContact O-CG 3.26Å; E491-L495 PolarHBondContact O-N 3.28Å
492	L	92.1	Very high	92.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-54.1	-48.8	-168.2	179.3	65.7	0	0	0	113.6	L336 L363 L430 V459 I461 V484 V489 E490 A494 L495 L496	L336-L492 HydrophobicContact CD2-CD2 3.57Å; L336-L492 HydrophobicContact CD2-CG 4.28Å; L363-L492 HydrophobicContact CD2-CD2 4.3Å; L430-L492 HydrophobicContact CD1-CD2 3.99Å; V459-L492 HydrophobicContact CG1-CD1 3.91Å; I461-L492 HydrophobicContact CD1-CD1 4.27Å; I461-L492 HydrophobicContact CD1-CD2 4.22Å; V484-L492 HydrophobicContact CB-CD1 4.46Å; V484-L492 HydrophobicContact CG1-CD1 4.41Å; V484-L492 HydrophobicContact CG2-CD1 3.89Å; V489-L492 HydrophobicContact CG2-CD2 4.35Å; V489-L492 WeakPolarHBondContact O-CB 3.34Å; V489-L492 PolarHBondContact O-N 3.08Å; V489-L492 VanDerWaalsContact O-N 3.16Å; E490-L492 VanDerWaalsContact C-N 3.25Å; E490-L492 PolarHBondContact O-N 3.38Å; L492-A494 VanDerWaalsContact C-N 3.33Å; L492-A494 PolarHBondContact O-N 2.89Å; L492-L495 PolarHBondContact O-N 3.08Å; L492-L496 HydrophobicContact CD1-CD1 3.9Å; L492-L496 HydrophobicContact CD1-CD2 4.39Å; L492-L496 HydrophobicContact CD1-CG 3.97Å; L492-L496 HydrophobicContact CG-CD1 4.06Å; L492-L496 HydrophobicContact CG-CG 4.44Å; L492-L496 VanDerWaalsContact O-CG 3.3Å; L492-L496 WeakPolarHBondContact O-CG 3.45Å; L492-L496 PolarHBondContact O-N 3.41Å
493	P	90.8	Very high	92.3	Very high	22 Å²	22	63.4 Å²	63.4	14%	0.143	34%	0.343	C	S	.	.	H	α-helix	trans	-60.7	-42.5	178.4	-21.4	32.8	0	0	0	112.5	L335 L366 I380 L496 Q497	L335-P493 HydrophobicContact CD2-CB 4.29Å; L366-P493 HydrophobicContact CD1-CG 4.04Å; L366-P493 HydrophobicContact CD2-CG 3.64Å; L366-P493 HydrophobicContact CG-CG 4.4Å; I380-P493 HydrophobicContact CD1-CB 4.27Å; I380-P493 HydrophobicContact CD1-CG 3.9Å; P493-L496 PolarHBondContact O-N 2.72Å; P493-Q497 VanDerWaalsContact O-CB 3.25Å; P493-Q497 WeakPolarHBondContact O-CB 3.28Å; P493-Q497 WeakPolarHBondContact O-CG 3.18Å; P493-Q497 PolarHBondContact O-N 2.92Å
494	A	91.5	Very high	92.5	Very high	63 Å²	63	58.8 Å²	58.8	52%	0.521	33%	0.325	S	S	.	.	H	α-helix	trans	-65.1	-42.8	179.9	0	0	0	0	0	111.4	E491 L492 Q497 S498	E491-A494 PolarHBondContact O-N 3.17Å; E491-A494 VanDerWaalsContact O-N 3.08Å; L492-A494 VanDerWaalsContact C-N 3.33Å; L492-A494 PolarHBondContact O-N 2.89Å; A494-Q497 PolarHBondContact O-N 3.45Å; A494-S498 WeakPolarHBondContact O-CB 3.33Å; A494-S498 PolarHBondContact O-N 3.43Å
495	L	93.3	Very high	92.7	Very high	50 Å²	50	59.5 Å²	59.5	26%	0.262	33%	0.33	S	S	.	.	H	α-helix	trans	-59.5	-49.8	175.6	-70.5	173	0	0	0	111.6	V484 E491 L492 Q497 S498	V484-L495 HydrophobicContact CG1-CD1 4.26Å; E491-L495 HydrophobicContact CB-CD1 4.09Å; E491-L495 HydrophobicContact CB-CG 4.17Å; E491-L495 WeakPolarHBondContact O-CG 3.26Å; E491-L495 PolarHBondContact O-N 3.28Å; L492-L495 PolarHBondContact O-N 3.08Å; L495-Q497 PolarHBondContact O-N 2.75Å; L495-S498 PolarHBondContact O-N 2.91Å; L495-S498 PolarHBondContact O-OG 3.16Å
496	L	95.2	Very high	92.9	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-67.5	-35.9	-179.6	-63.4	-179	0	0	0	112.4	L335 L336 F428 V459 I482 L492 P493 S498	L335-L496 HydrophobicContact CD1-CB 4.27Å; L336-L496 HydrophobicContact CB-CD1 4.37Å; L336-L496 HydrophobicContact CD1-CD1 4.03Å; L336-L496 HydrophobicContact CD2-CD1 4.33Å; L336-L496 HydrophobicContact CG-CD1 4.49Å; F428-L496 HydrophobicContact CB-CD1 4.05Å; F428-L496 HydrophobicContact CD1-CD2 3.84Å; F428-L496 HydrophobicContact CD2-CB 3.91Å; F428-L496 HydrophobicContact CD2-CD1 3.93Å; F428-L496 HydrophobicContact CD2-CD2 4.27Å; F428-L496 HydrophobicContact CD2-CG 4.25Å; F428-L496 HydrophobicContact CE1-CD2 3.97Å; F428-L496 HydrophobicContact CE2-CB 3.77Å; F428-L496 HydrophobicContact CE2-CD2 4.38Å; F428-L496 HydrophobicContact CE2-CG 4.46Å; F428-L496 HydrophobicContact CG-CD1 3.93Å; F428-L496 HydrophobicContact CG-CD2 4.03Å; F428-L496 HydrophobicContact CG-CG 4.37Å; F428-L496 HydrophobicContact CZ-CB 4.25Å; F428-L496 HydrophobicContact CZ-CD2 4.25Å; V459-L496 HydrophobicContact CG1-CD2 4.33Å; V459-L496 HydrophobicContact CG2-CD1 4.28Å; V459-L496 HydrophobicContact CG2-CD2 3.74Å; I482-L496 HydrophobicContact CD1-CD2 4.01Å; I482-L496 HydrophobicContact CG2-CD2 4.49Å; L492-L496 HydrophobicContact CD1-CD1 3.9Å; L492-L496 HydrophobicContact CD1-CD2 4.39Å; L492-L496 HydrophobicContact CD1-CG 3.97Å; L492-L496 HydrophobicContact CG-CD1 4.06Å; L492-L496 HydrophobicContact CG-CG 4.44Å; L492-L496 VanDerWaalsContact O-CG 3.3Å; L492-L496 WeakPolarHBondContact O-CG 3.45Å; L492-L496 PolarHBondContact O-N 3.41Å; P493-L496 PolarHBondContact O-N 2.72Å; L496-S498 VanDerWaalsContact C-N 3.32Å
497	Q	92.5	Very high	93.2	Very high	95 Å²	95	59.5 Å²	59.5	44%	0.444	33%	0.327	S	S	.	.	H	α-helix	trans	-69	-29.9	175.4	-75	173.5	-7.4	0	0	112.4	R331 L335 P493 A494 L495 L499	R331-Q497 PolarHBondContact NH2-O 3.48Å; L335-Q497 HydrophobicContact CD1-CG 3.98Å; L335-Q497 HydrophobicContact CD2-CG 3.87Å; P493-Q497 VanDerWaalsContact O-CB 3.25Å; P493-Q497 WeakPolarHBondContact O-CB 3.28Å; P493-Q497 WeakPolarHBondContact O-CG 3.18Å; P493-Q497 PolarHBondContact O-N 2.92Å; A494-Q497 PolarHBondContact O-N 3.45Å; L495-Q497 PolarHBondContact O-N 2.75Å; Q497-L499 PolarHBondContact O-N 3.33Å
498	S	95.4	Very high	93.5	Very high	85 Å²	85	55 Å²	55	59%	0.594	30%	0.297	S	S	*	.	H	α-helix	trans	-67	-18.4	179.4	77.1	0	0	0	0	114.6	A494 L495 L496 P500	A494-S498 WeakPolarHBondContact O-CB 3.33Å; A494-S498 PolarHBondContact O-N 3.43Å; L495-S498 PolarHBondContact O-N 2.91Å; L495-S498 PolarHBondContact O-OG 3.16Å; L496-S498 VanDerWaalsContact C-N 3.32Å; S498-P500 WeakPolarHBondContact O-CD 3.4Å
499	L	95.6	Very high	93.6	Very high	40 Å²	40	50.2 Å²	50.2	21%	0.209	28%	0.279	C	S	.	.	S	Bend	trans	-70.4	125.8	-175.5	-66.4	178	0	0	0	112.5	R331 F428 I482 Q497 I504	R331-L499 PolarHBondContact NH2-O 2.96Å; F428-L499 HydrophobicContact CE1-CD1 3.94Å; F428-L499 HydrophobicContact CZ-CD1 3.86Å; I482-L499 HydrophobicContact CD1-CD1 3.47Å; I482-L499 VanDerWaalsContact CD1-CD1 3.47Å; Q497-L499 PolarHBondContact O-N 3.33Å; L499-I504 HydrophobicContact CB-CD1 4.27Å; L499-I504 HydrophobicContact CB-CG1 4.11Å
500	P	96.3	Very high	93.7	Very high	65 Å²	65	51.3 Å²	51.3	42%	0.422	28%	0.284	S	S	.	.			trans	-59.8	147.8	175.4	-24	34.1	0	0	0	112.6	S498 A502 H503 I504	S498-P500 WeakPolarHBondContact O-CD 3.4Å; P500-A502 VanDerWaalsContact C-N 3.3Å; P500-A502 PolarHBondContact O-N 2.83Å; P500-H503 WeakPolarHBondContact O-CB 3.42Å; P500-H503 PolarHBondContact O-N 2.83Å; P500-H503 VanDerWaalsContact O-N 3.08Å; P500-I504 PolarHBondContact O-N 2.78Å; P500-I504 VanDerWaalsContact O-N 3.17Å
501	E	94.3	Very high	93.9	Very high	88 Å²	88	45.4 Å²	45.4	41%	0.411	26%	0.257	S	S	.	.	H	α-helix	trans	-59.4	-39.5	-179.2	-176.8	165.2	-166.4	0	0	112.7	G330 H503 I504 V505	G330-E501 PolarHBondContact N-OE1 3.3Å; E501-H503 VanDerWaalsContact C-N 3.26Å; E501-H503 PolarHBondContact O-N 3.36Å; E501-I504 WeakPolarHBondContact O-CB 3.41Å; E501-I504 PolarHBondContact O-N 3.49Å; E501-I504 VanDerWaalsContact O-N 3.11Å; E501-V505 HydrophobicContact CG-CG2 4.3Å; E501-V505 WeakPolarHBondContact O-CG2 3.14Å; E501-V505 PolarHBondContact O-N 3.42Å
502	A	94.7	Very high	94	Very high	74 Å²	74	42 Å²	42	61%	0.612	24%	0.241	S	C	*	.	H	α-helix	trans	-57.2	-39.4	176.2	0	0	0	0	0	112.6	P500 E506	P500-A502 VanDerWaalsContact C-N 3.3Å; P500-A502 PolarHBondContact O-N 2.83Å; A502-E506 PolarHBondContact O-N 3.44Å; A502-E506 VanDerWaalsContact O-N 3.08Å
503	H	95.7	Very high	93.9	Very high	112 Å²	112	43.7 Å²	43.7	52%	0.519	25%	0.25	S	C	.	.	H	α-helix	trans	-69	-41.7	177.2	-65.8	-169.4	0	0	0	110.9	P500 E501 V505 E506 I507	P500-H503 WeakPolarHBondContact O-CB 3.42Å; P500-H503 PolarHBondContact O-N 2.83Å; P500-H503 VanDerWaalsContact O-N 3.08Å; E501-H503 VanDerWaalsContact C-N 3.26Å; E501-H503 PolarHBondContact O-N 3.36Å; H503-V505 VanDerWaalsContact C-N 3.33Å; H503-V505 PolarHBondContact O-N 3.02Å; H503-E506 PolarHBondContact O-N 3.15Å; H503-I507 VanDerWaalsContact O-CG1 3.23Å; H503-I507 WeakPolarHBondContact O-CG1 3.14Å; H503-I507 PolarHBondContact O-N 3.41Å
504	I	96.8	Very high	93.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.7	-45.5	177.2	-65.6	171.4	0	0	0	110.5	G330 R331 T427 F428 I457 L499 P500 E501 R508	G330-I504 WeakPolarHBondContact O-CG2 3.49Å; R331-I504 HydrophobicContact CG-CD1 3.88Å; T427-I504 HydrophobicContact CG2-CD1 4.36Å; T427-I504 HydrophobicContact CG2-CG2 3.78Å; F428-I504 HydrophobicContact CZ-CD1 4.15Å; F428-I504 HydrophobicContact CZ-CG1 4.21Å; I457-I504 HydrophobicContact CD1-CB 4.23Å; I457-I504 HydrophobicContact CD1-CG1 4.43Å; I457-I504 HydrophobicContact CD1-CG2 3.79Å; L499-I504 HydrophobicContact CB-CD1 4.27Å; L499-I504 HydrophobicContact CB-CG1 4.11Å; P500-I504 PolarHBondContact O-N 2.78Å; P500-I504 VanDerWaalsContact O-N 3.17Å; E501-I504 WeakPolarHBondContact O-CB 3.41Å; E501-I504 PolarHBondContact O-N 3.49Å; E501-I504 VanDerWaalsContact O-N 3.11Å; I504-R508 WeakPolarHBondContact O-CB 3.19Å; I504-R508 VanDerWaalsContact O-CG 3.22Å; I504-R508 WeakPolarHBondContact O-CG 3.48Å; I504-R508 PolarHBondContact O-N 3.24Å
505	V	95.3	Very high	94	Very high	22 Å²	22	40.5 Å²	40.5	13%	0.133	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-44.9	177.9	172.5	0	0	0	0	111	L327 L328 E501 H503 R508 R509	L327-V505 HydrophobicContact CB-CG1 4.31Å; L328-V505 HydrophobicContact CD2-CG2 3.62Å; E501-V505 HydrophobicContact CG-CG2 4.3Å; E501-V505 WeakPolarHBondContact O-CG2 3.14Å; E501-V505 PolarHBondContact O-N 3.42Å; H503-V505 VanDerWaalsContact C-N 3.33Å; H503-V505 PolarHBondContact O-N 3.02Å; V505-R508 PolarHBondContact O-N 3.35Å; V505-R509 WeakPolarHBondContact O-CB 3.47Å; V505-R509 PolarHBondContact O-N 2.87Å
506	E	93.4	Very high	93.9	Very high	59 Å²	59	43.2 Å²	43.2	28%	0.276	23%	0.233	S	C	.	.	H	α-helix	trans	-66.7	-44.8	179.7	-175.6	56.9	-157.8	0	0	112.3	A502 H503 R508 R509 Q510 R856	A502-E506 PolarHBondContact O-N 3.44Å; A502-E506 VanDerWaalsContact O-N 3.08Å; H503-E506 PolarHBondContact O-N 3.15Å; E506-R508 VanDerWaalsContact C-N 3.29Å; E506-R508 PolarHBondContact O-N 2.88Å; E506-R509 WeakPolarHBondContact O-CB 3.5Å; E506-R509 PolarHBondContact O-N 3.48Å; E506-R509 VanDerWaalsContact O-N 3.16Å; E506-R509 IonicContact OE1-CZ 3.34Å; E506-R509 IonicContact OE1-NE 3.38Å; E506-R509 PolarHBondContact OE1-NE 3.43Å; E506-R509 IonicContact OE1-NH2 2.62Å; E506-R509 PolarHBondContact OE1-NH2 3.37Å; E506-R509 IonicContact OE2-CZ 4Å; E506-R509 IonicContact OE2-NE 2.86Å; E506-R509 PolarHBondContact OE2-NE 3.46Å; E506-R509 IonicContact OE2-NH2 2.86Å; E506-Q510 HydrophobicContact CG-CG 4.48Å; E506-Q510 VanDerWaalsContact O-CG 3.31Å; E506-Q510 WeakPolarHBondContact O-CG 3.48Å; E506-Q510 PolarHBondContact O-N 3.21Å; E506-Q510 PolarHBondContact OE1-NE2 2.98Å; E506-R856 IonicContact OE2-NE 2.68Å
507	I	95.1	Very high	93.6	Very high	33 Å²	33	44.9 Å²	44.9	17%	0.169	24%	0.24	C	C	.	.	H	α-helix	trans	-59.7	-42.3	176.6	-64.9	165	0	0	0	110.4	I457 H503 Q510 G511	I457-I507 HydrophobicContact CB-CG2 4.33Å; I457-I507 HydrophobicContact CD1-CB 3.87Å; I457-I507 HydrophobicContact CD1-CD1 4.37Å; I457-I507 HydrophobicContact CD1-CG2 3.8Å; I457-I507 HydrophobicContact CG1-CB 4.29Å; I457-I507 HydrophobicContact CG1-CG2 3.78Å; I457-I507 HydrophobicContact CG2-CG2 3.7Å; H503-I507 VanDerWaalsContact O-CG1 3.23Å; H503-I507 WeakPolarHBondContact O-CG1 3.14Å; H503-I507 PolarHBondContact O-N 3.41Å; I507-Q510 PolarHBondContact O-N 3.08Å; I507-G511 PolarHBondContact O-N 3.33Å
508	R	94.7	Very high	93.6	Very high	6 Å²	6	40.8 Å²	40.8	2%	0.023	22%	0.22	C	C	.	.	H	α-helix	trans	-64.9	-40.6	176.7	-72.1	173.4	64.6	-176.1	-17.3	112	S326 L327 P329 G330 R332 G455 I457 I504 V505 E506 G511 Q512	S326-R508 PolarHBondContact O-NH2 2.93Å; L327-R508 HydrophobicContact CD2-CB 3.98Å; P329-R508 PolarHBondContact O-NH1 2.92Å; P329-R508 VanDerWaalsContact O-NH1 3.17Å; G330-R508 PolarHBondContact O-NH1 2.87Å; R332-R508 VanDerWaalsContact CZ-NH2 3.3Å; G455-R508 WeakPolarHBondContact O-CG 3.38Å; G455-R508 PolarHBondContact O-NE 3.3Å; I457-R508 HydrophobicContact CD1-CG 3.95Å; I457-R508 HydrophobicContact CG1-CG 3.53Å; I504-R508 WeakPolarHBondContact O-CB 3.19Å; I504-R508 VanDerWaalsContact O-CG 3.22Å; I504-R508 WeakPolarHBondContact O-CG 3.48Å; I504-R508 PolarHBondContact O-N 3.24Å; V505-R508 PolarHBondContact O-N 3.35Å; E506-R508 VanDerWaalsContact C-N 3.29Å; E506-R508 PolarHBondContact O-N 2.88Å; R508-G511 PolarHBondContact O-N 2.94Å; R508-Q512 WeakPolarHBondContact O-CG 3.39Å; R508-Q512 PolarHBondContact O-N 2.93Å
509	R	93.4	Very high	93.4	Very high	12 Å²	12	37.1 Å²	37.1	5%	0.045	19%	0.194	C	C	.	.	H	α-helix	trans	-60	-50	174.9	-170	-170.1	76.3	92.3	-5.4	111.1	L327 V505 E506 G511 Q512 I513 H853 Y900	L327-R509 HydrophobicContact CD1-CB 3.8Å; L327-R509 HydrophobicContact CD1-CG 3.96Å; V505-R509 WeakPolarHBondContact O-CB 3.47Å; V505-R509 PolarHBondContact O-N 2.87Å; E506-R509 WeakPolarHBondContact O-CB 3.5Å; E506-R509 PolarHBondContact O-N 3.48Å; E506-R509 VanDerWaalsContact O-N 3.16Å; E506-R509 IonicContact OE1-CZ 3.34Å; E506-R509 IonicContact OE1-NE 3.38Å; E506-R509 PolarHBondContact OE1-NE 3.43Å; E506-R509 IonicContact OE1-NH2 2.62Å; E506-R509 PolarHBondContact OE1-NH2 3.37Å; E506-R509 IonicContact OE2-CZ 4Å; E506-R509 IonicContact OE2-NE 2.86Å; E506-R509 PolarHBondContact OE2-NE 3.46Å; E506-R509 IonicContact OE2-NH2 2.86Å; R509-G511 VanDerWaalsContact C-N 3.28Å; R509-G511 PolarHBondContact O-N 3.41Å; R509-Q512 WeakPolarHBondContact O-CB 3.5Å; R509-Q512 PolarHBondContact O-N 2.73Å; R509-Q512 VanDerWaalsContact O-N 3.15Å; R509-I513 HydrophobicContact CG-CD1 4.35Å; R509-I513 WeakPolarHBondContact O-CG1 3.49Å; R509-I513 PolarHBondContact O-N 3.37Å; R509-H853 PolarHBondContact NH1-O 3.02Å; R509-Y900 WeakPolarHBondContact CD-OH 3.31Å
510	Q	92.5	Very high	93.2	Very high	29 Å²	29	39.8 Å²	39.8	14%	0.136	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-40.3	177.1	-66.2	-65.9	-12	0	0	111.4	V480 E506 I507 Q512 I513 L514	V480-Q510 HydrophobicContact CG1-CB 3.69Å; E506-Q510 HydrophobicContact CG-CG 4.48Å; E506-Q510 VanDerWaalsContact O-CG 3.31Å; E506-Q510 WeakPolarHBondContact O-CG 3.48Å; E506-Q510 PolarHBondContact O-N 3.21Å; E506-Q510 PolarHBondContact OE1-NE2 2.98Å; I507-Q510 PolarHBondContact O-N 3.08Å; Q510-Q512 VanDerWaalsContact C-N 3.34Å; Q510-Q512 PolarHBondContact O-N 3.12Å; Q510-I513 PolarHBondContact O-N 2.8Å; Q510-L514 WeakPolarHBondContact O-CB 3.37Å; Q510-L514 PolarHBondContact O-N 3.32Å
511	G	93.2	Very high	92.9	Very high	3 Å²	3	38.8 Å²	38.8	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-40.1	174.5	0	0	0	0	0	113.2	I507 R508 R509 F515	I507-G511 PolarHBondContact O-N 3.33Å; R508-G511 PolarHBondContact O-N 2.94Å; R509-G511 VanDerWaalsContact C-N 3.28Å; R509-G511 PolarHBondContact O-N 3.41Å; G511-F515 VanDerWaalsContact O-CB 3.25Å; G511-F515 WeakPolarHBondContact O-CB 3.28Å; G511-F515 PolarHBondContact O-N 2.92Å
512	Q	91.7	Very high	92.7	Very high	23 Å²	23	38 Å²	38	11%	0.107	19%	0.19	C	C	.	.	H	α-helix	trans	-65.2	-43.6	173.8	-73.2	-58.8	-56.2	0	0	112.2	L327 L452 R508 R509 Q510 F515 Q516	L327-Q512 HydrophobicContact CD2-CG 4.39Å; L452-Q512 PolarHBondContact O-NE2 2.81Å; R508-Q512 WeakPolarHBondContact O-CG 3.39Å; R508-Q512 PolarHBondContact O-N 2.93Å; R509-Q512 WeakPolarHBondContact O-CB 3.5Å; R509-Q512 PolarHBondContact O-N 2.73Å; R509-Q512 VanDerWaalsContact O-N 3.15Å; Q510-Q512 VanDerWaalsContact C-N 3.34Å; Q510-Q512 PolarHBondContact O-N 3.12Å; Q512-F515 PolarHBondContact O-N 2.89Å; Q512-Q516 WeakPolarHBondContact O-CB 3.33Å; Q512-Q516 VanDerWaalsContact O-CG 3.23Å; Q512-Q516 WeakPolarHBondContact O-CG 2.87Å; Q512-Q516 PolarHBondContact O-N 3.31Å
513	I	90.9	Very high	92.5	Very high	34 Å²	34	37 Å²	37	17%	0.174	18%	0.178	C	C	.	.	H	α-helix	trans	-61.7	-47.9	177.6	-69	168.3	0	0	0	110.2	R509 Q510 F515 Q516 R517	R509-I513 HydrophobicContact CG-CD1 4.35Å; R509-I513 WeakPolarHBondContact O-CG1 3.49Å; R509-I513 PolarHBondContact O-N 3.37Å; Q510-I513 PolarHBondContact O-N 2.8Å; I513-F515 VanDerWaalsContact C-N 3.35Å; I513-F515 PolarHBondContact O-N 3.05Å; I513-Q516 PolarHBondContact O-N 3.48Å; I513-R517 WeakPolarHBondContact O-CB 3.38Å; I513-R517 PolarHBondContact O-N 3.46Å
514	L	91.7	Very high	92.3	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-59.6	-47.2	177.2	-169.2	160.8	0	0	0	110.7	L452 I472 L476 L477 V480 Q510 R517 Y518 L519	L452-L514 HydrophobicContact CD1-CD2 3.91Å; I472-L514 HydrophobicContact CG2-CD1 4.38Å; L476-L514 HydrophobicContact CD2-CD1 4.06Å; L476-L514 HydrophobicContact CD2-CG 4.34Å; L476-L514 HydrophobicContact CG-CD1 3.89Å; L477-L514 HydrophobicContact CD2-CD1 4.29Å; V480-L514 HydrophobicContact CB-CD1 4.43Å; V480-L514 HydrophobicContact CG1-CB 4.43Å; V480-L514 HydrophobicContact CG1-CD1 4.01Å; V480-L514 HydrophobicContact CG2-CD1 3.64Å; Q510-L514 WeakPolarHBondContact O-CB 3.37Å; Q510-L514 PolarHBondContact O-N 3.32Å; L514-R517 PolarHBondContact O-N 3.45Å; L514-Y518 HydrophobicContact CD2-CD2 4.45Å; L514-Y518 HydrophobicContact CG-CD2 4.04Å; L514-Y518 VanDerWaalsContact O-CD2 3.31Å; L514-Y518 WeakPolarHBondContact O-CD2 3.37Å; L514-Y518 PolarHBondContact O-N 2.95Å; L514-L519 HydrophobicContact CD2-CD1 3.59Å; L514-L519 HydrophobicContact CD2-CG 4.29Å
515	F	92.9	Very high	92	Very high	16 Å²	16	32.2 Å²	32.2	7%	0.07	16%	0.157	C	C	.	.	I	π-helix	trans	-58.7	-53.3	178.1	174.9	-110.2	0	0	0	112.3	Y308 I449 L452 A453 G511 Q512 I513 R517 L519 K520	Y308-F515 AromaticContact CD1-CZ 3.95Å; Y308-F515 HydrophobicContact CD1-CZ 3.95Å; Y308-F515 HydrophobicContact CG-CE2 4.06Å; Y308-F515 AromaticContact CG-CZ 3.95Å; Y308-F515 HydrophobicContact CG-CZ 3.95Å; I449-F515 HydrophobicContact CG2-CE2 4.09Å; L452-F515 HydrophobicContact CB-CB 4.07Å; L452-F515 HydrophobicContact CB-CD2 4.38Å; L452-F515 HydrophobicContact CB-CG 4.48Å; A453-F515 HydrophobicContact CB-CD2 4.2Å; A453-F515 HydrophobicContact CB-CE1 4.23Å; A453-F515 HydrophobicContact CB-CE2 3.6Å; A453-F515 HydrophobicContact CB-CZ 3.61Å; G511-F515 VanDerWaalsContact O-CB 3.25Å; G511-F515 WeakPolarHBondContact O-CB 3.28Å; G511-F515 PolarHBondContact O-N 2.92Å; Q512-F515 PolarHBondContact O-N 2.89Å; I513-F515 VanDerWaalsContact C-N 3.35Å; I513-F515 PolarHBondContact O-N 3.05Å; F515-R517 VanDerWaalsContact C-N 3.32Å; F515-R517 PolarHBondContact O-N 3.08Å; F515-L519 HydrophobicContact CD2-CB 4.01Å; F515-L519 HydrophobicContact CE2-CB 4.49Å; F515-L519 CarbonylContact O-C 3.53Å; F515-L519 WeakPolarHBondContact O-CA 3.5Å; F515-L519 PolarHBondContact O-N 3.32Å; F515-K520 HydrophobicContact CE1-CB 4.15Å; F515-K520 HydrophobicContact CE1-CG 4.07Å; F515-K520 HydrophobicContact CZ-CB 4.19Å; F515-K520 HydrophobicContact CZ-CG 4.25Å; F515-K520 PolarHBondContact O-N 3.41Å
516	Q	90.8	Very high	91.8	Very high	106 Å²	106	31.4 Å²	31.4	50%	0.495	15%	0.152	S	C	.	.	I	π-helix	trans	-62.9	-39.7	-177.5	-70.7	176.5	5.5	0	0	112.1	Q512 I513 S524	Q512-Q516 WeakPolarHBondContact O-CB 3.33Å; Q512-Q516 VanDerWaalsContact O-CG 3.23Å; Q512-Q516 WeakPolarHBondContact O-CG 2.87Å; Q512-Q516 PolarHBondContact O-N 3.31Å; I513-Q516 PolarHBondContact O-N 3.48Å; Q516-S524 PolarHBondContact O-OG 2.84Å
517	R	90.1	Very high	91.7	Very high	38 Å²	38	30.4 Å²	30.4	14%	0.143	15%	0.15	C	C	.	.	I	π-helix	trans	-75.9	-39.9	-176.7	-170.3	175.3	-79.5	174.9	-5.7	112.4	I513 L514 F515 D614 V615 E827	I513-R517 WeakPolarHBondContact O-CB 3.38Å; I513-R517 PolarHBondContact O-N 3.46Å; L514-R517 PolarHBondContact O-N 3.45Å; F515-R517 VanDerWaalsContact C-N 3.32Å; F515-R517 PolarHBondContact O-N 3.08Å; R517-D614 PolarHBondContact NH1-O 3Å; R517-V615 PolarHBondContact NH2-O 3.36Å; R517-E827 IonicContact NH2-OE2 3.83Å; R517-E827 PolarHBondContact NH2-OE2 2.96Å
518	Y	91.4	Very high	91.6	Very high	8 Å²	8	28.9 Å²	28.9	3%	0.031	14%	0.142	C	C	.	.	I	π-helix	trans	-117.2	-24.8	-168.2	-55.6	-77.5	0	0	0	116.1	I472 L476 L514 S524 T528 L531 P618	I472-Y518 HydrophobicContact CD1-CG 4.23Å; I472-Y518 HydrophobicContact CG1-CD1 4.28Å; I472-Y518 HydrophobicContact CG1-CD2 4.45Å; I472-Y518 HydrophobicContact CG1-CG 4.07Å; L476-Y518 HydrophobicContact CD2-CD2 4.5Å; L476-Y518 HydrophobicContact CD2-CE2 3.81Å; L514-Y518 HydrophobicContact CD2-CD2 4.45Å; L514-Y518 HydrophobicContact CG-CD2 4.04Å; L514-Y518 VanDerWaalsContact O-CD2 3.31Å; L514-Y518 WeakPolarHBondContact O-CD2 3.37Å; L514-Y518 PolarHBondContact O-N 2.95Å; Y518-S524 CarbonylContact O-C 3.58Å; Y518-T528 VanDerWaalsContact CA-OG1 3.23Å; Y518-T528 WeakPolarHBondContact CA-OG1 3.24Å; Y518-T528 WeakPolarHBondContact CB-OG1 3.46Å; Y518-T528 HydrophobicContact CD1-CG2 4.04Å; Y518-T528 WeakPolarHBondContact CD1-OG1 3.38Å; Y518-T528 PolarHBondContact O-OG1 2.96Å; Y518-L531 HydrophobicContact CE1-CD2 4Å; Y518-P618 HydrophobicContact CE1-CG 4.44Å; Y518-P618 WeakPolarHBondContact OH-CG 3.38Å
519	L	92.1	Very high	91.5	Very high	9 Å²	9	29 Å²	29	5%	0.047	14%	0.143	C	C	.	.	I	π-helix	trans	-128.4	-6.7	-163.7	-58	172.7	0	0	0	114.9	P305 N307 Y308 I449 L452 I472 L514 F515	P305-L519 HydrophobicContact CB-CD2 3.94Å; N307-L519 VanDerWaalsContact CA-O 3.29Å; N307-L519 WeakPolarHBondContact CA-O 3.25Å; Y308-L519 PolarHBondContact N-O 3.19Å; Y308-L519 VanDerWaalsContact N-O 3.07Å; I449-L519 HydrophobicContact CG1-CB 4.43Å; I449-L519 HydrophobicContact CG1-CD1 4Å; I449-L519 HydrophobicContact CG1-CD2 4.39Å; L452-L519 HydrophobicContact CD1-CD1 3.99Å; I472-L519 HydrophobicContact CD1-CD2 4.06Å; I472-L519 HydrophobicContact CD1-CG 4.41Å; L514-L519 HydrophobicContact CD2-CD1 3.59Å; L514-L519 HydrophobicContact CD2-CG 4.29Å; F515-L519 HydrophobicContact CD2-CB 4.01Å; F515-L519 HydrophobicContact CE2-CB 4.49Å; F515-L519 CarbonylContact O-C 3.53Å; F515-L519 WeakPolarHBondContact O-CA 3.5Å; F515-L519 PolarHBondContact O-N 3.32Å
520	K	90.8	Very high	91.4	Very high	96 Å²	96	28.7 Å²	28.7	42%	0.417	14%	0.143	S	C	.	.	S	Bend	trans	-66.4	-61.5	-171.5	-178.4	-174.5	177.3	-171.2	0	112.5	Y308 D309 F515	Y308-K520 PolarHBondContact N-O 3.31Å; D309-K520 PolarHBondContact N-O 2.8Å; F515-K520 HydrophobicContact CE1-CB 4.15Å; F515-K520 HydrophobicContact CE1-CG 4.07Å; F515-K520 HydrophobicContact CZ-CB 4.19Å; F515-K520 HydrophobicContact CZ-CG 4.25Å; F515-K520 PolarHBondContact O-N 3.41Å
521	D	90.2	Very high	91.4	Very high	43 Å²	43	27.3 Å²	27.3	23%	0.23	14%	0.136	C	C	.	.	S	Bend	trans	-131.3	-178.4	-170.6	62.9	46.7	0	0	0	112.4	N307 D309 S523 S524 Q525	N307-D521 VanDerWaalsContact CB-C 3.46Å; N307-D521 VanDerWaalsContact CB-O 3.25Å; N307-D521 WeakPolarHBondContact CB-O 3.4Å; D309-D521 WeakPolarHBondContact OD2-CB 3.01Å; D521-S523 VanDerWaalsContact C-N 3.26Å; D521-S523 PolarHBondContact O-N 3.46Å; D521-S523 VanDerWaalsContact OD1-CA 3.3Å; D521-S523 WeakPolarHBondContact OD1-CA 3.38Å; D521-S523 WeakPolarHBondContact OD1-CB 3.13Å; D521-S523 PolarHBondContact OD1-N 3.33Å; D521-S524 PolarHBondContact O-N 3.24Å; D521-S524 PolarHBondContact OD1-N 3.22Å; D521-S524 PolarHBondContact OD1-OG 3.39Å; D521-Q525 PolarHBondContact O-N 3.45Å
522	K	89.3	Confident	91.3	Very high	72 Å²	72	27.1 Å²	27.1	31%	0.313	14%	0.135	S	C	.	.	H	α-helix	trans	-61.5	-32.3	178.6	-74	-177.5	173.3	-175.6	0	113.3	S209 L213 Q525 L526	S209-K522 PolarHBondContact OG-NZ 3.48Å; L213-K522 HydrophobicContact CD1-CB 3.92Å; K522-Q525 PolarHBondContact O-N 3.19Å; K522-L526 PolarHBondContact O-N 3.15Å
523	S	90.6	Very high	91.3	Very high	53 Å²	53	26 Å²	26	37%	0.371	13%	0.129	S	C	.	.	H	α-helix	trans	-69.2	-45.4	177.1	-173.6	0	0	0	0	110.1	D521 Q525 L526 T527	D521-S523 VanDerWaalsContact C-N 3.26Å; D521-S523 PolarHBondContact O-N 3.46Å; D521-S523 VanDerWaalsContact OD1-CA 3.3Å; D521-S523 WeakPolarHBondContact OD1-CA 3.38Å; D521-S523 WeakPolarHBondContact OD1-CB 3.13Å; D521-S523 PolarHBondContact OD1-N 3.33Å; S523-Q525 VanDerWaalsContact C-N 3.32Å; S523-Q525 PolarHBondContact O-N 2.82Å; S523-L526 PolarHBondContact O-N 3.3Å; S523-T527 WeakPolarHBondContact O-CB 3.2Å; S523-T527 WeakPolarHBondContact O-CG2 3.45Å; S523-T527 PolarHBondContact O-N 2.84Å; S523-T527 PolarHBondContact O-OG1 2.85Å
524	S	91	Very high	91.3	Very high	9 Å²	9	24.4 Å²	24.4	6%	0.063	12%	0.121	C	C	.	.	H	α-helix	trans	-58.2	-42.6	172.8	-51.8	0	0	0	0	111.8	Q516 Y518 D521 T527 T528	Q516-S524 PolarHBondContact O-OG 2.84Å; Y518-S524 CarbonylContact O-C 3.58Å; D521-S524 PolarHBondContact O-N 3.24Å; D521-S524 PolarHBondContact OD1-N 3.22Å; D521-S524 PolarHBondContact OD1-OG 3.39Å; S524-T527 WeakPolarHBondContact CA-OG1 3.19Å; S524-T527 PolarHBondContact O-OG1 2.74Å; S524-T527 VanDerWaalsContact O-OG1 3.05Å; S524-T528 VanDerWaalsContact O-CB 3.27Å; S524-T528 WeakPolarHBondContact O-CB 3.33Å; S524-T528 PolarHBondContact O-N 3.34Å; S524-T528 PolarHBondContact O-OG1 2.97Å
525	Q	91.4	Very high	91.1	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.009	13%	0.125	C	C	.	.	H	α-helix	trans	-60.6	-49.3	176.8	171.4	-176.6	55.1	0	0	112.3	Y289 L304 P305 N307 D521 K522 S523 T528 L529	Y289-Q525 PolarHBondContact OH-NE2 3.08Å; L304-Q525 HydrophobicContact CD1-CG 3.87Å; L304-Q525 HydrophobicContact CG-CG 4.36Å; P305-Q525 WeakPolarHBondContact O-CG 3.08Å; P305-Q525 PolarHBondContact O-NE2 2.7Å; N307-Q525 HydrophobicContact CB-CB 4.19Å; N307-Q525 PolarHBondContact ND2-OE1 3.28Å; D521-Q525 PolarHBondContact O-N 3.45Å; K522-Q525 PolarHBondContact O-N 3.19Å; S523-Q525 VanDerWaalsContact C-N 3.32Å; S523-Q525 PolarHBondContact O-N 2.82Å; Q525-T528 PolarHBondContact O-N 3.03Å; Q525-L529 PolarHBondContact O-N 2.79Å
526	L	91	Very high	90.8	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-63	-48.9	179.9	170.8	60.9	0	0	0	111	F210 L213 L214 K522 S523 T528 L529 L530	F210-L526 HydrophobicContact CD1-CD1 4.49Å; F210-L526 HydrophobicContact CE1-CD1 3.54Å; F210-L526 HydrophobicContact CE1-CG 4.5Å; F210-L526 HydrophobicContact CE2-CB 3.82Å; F210-L526 HydrophobicContact CE2-CD1 4.17Å; F210-L526 HydrophobicContact CE2-CG 4.44Å; F210-L526 HydrophobicContact CZ-CB 3.84Å; F210-L526 HydrophobicContact CZ-CD1 3.34Å; F210-L526 HydrophobicContact CZ-CG 4.07Å; L213-L526 HydrophobicContact CB-CD2 3.69Å; L214-L526 HydrophobicContact CD2-CD1 3.52Å; L214-L526 HydrophobicContact CD2-CD2 3.99Å; L214-L526 HydrophobicContact CD2-CG 4.38Å; L214-L526 HydrophobicContact CG-CD1 4.11Å; L214-L526 HydrophobicContact CG-CD2 3.94Å; K522-L526 PolarHBondContact O-N 3.15Å; S523-L526 PolarHBondContact O-N 3.3Å; L526-T528 VanDerWaalsContact C-N 3.31Å; L526-T528 PolarHBondContact O-N 2.76Å; L526-L529 WeakPolarHBondContact O-CB 3.44Å; L526-L529 PolarHBondContact O-N 3.15Å; L526-L530 HydrophobicContact CD1-CD1 3.86Å; L526-L530 HydrophobicContact CD1-CD2 4.31Å; L526-L530 HydrophobicContact CD1-CG 3.86Å; L526-L530 HydrophobicContact CG-CD1 3.92Å; L526-L530 HydrophobicContact CG-CG 4.31Å; L526-L530 VanDerWaalsContact O-CG 3.31Å; L526-L530 WeakPolarHBondContact O-CG 3.38Å; L526-L530 PolarHBondContact O-N 3.36Å
527	T	91.1	Very high	90.7	Very high	38 Å²	38	20.3 Å²	20.3	23%	0.233	10%	0.101	C	C	.	.	H	α-helix	trans	-63.6	-37	-179.1	50.9	0	0	0	0	112.1	S523 S524 L530 L531 L619	S523-T527 WeakPolarHBondContact O-CB 3.2Å; S523-T527 WeakPolarHBondContact O-CG2 3.45Å; S523-T527 PolarHBondContact O-N 2.84Å; S523-T527 PolarHBondContact O-OG1 2.85Å; S524-T527 WeakPolarHBondContact CA-OG1 3.19Å; S524-T527 PolarHBondContact O-OG1 2.74Å; S524-T527 VanDerWaalsContact O-OG1 3.05Å; T527-L530 PolarHBondContact O-N 2.73Å; T527-L531 VanDerWaalsContact O-CB 3.32Å; T527-L531 WeakPolarHBondContact O-CB 3.46Å; T527-L531 PolarHBondContact O-N 2.9Å; T527-L619 HydrophobicContact CG2-CD1 4.45Å
528	T	92.4	Very high	90.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.3	-44.9	172.4	-57	0	0	0	0	111.9	P305 A471 I472 Y518 S524 Q525 L526 L531 A532	P305-T528 HydrophobicContact CG-CG2 3.68Å; A471-T528 HydrophobicContact CB-CG2 3.77Å; A471-T528 WeakPolarHBondContact CB-O 3.47Å; I472-T528 HydrophobicContact CD1-CG2 4.3Å; I472-T528 HydrophobicContact CG1-CG2 4.3Å; Y518-T528 VanDerWaalsContact CA-OG1 3.23Å; Y518-T528 WeakPolarHBondContact CA-OG1 3.24Å; Y518-T528 WeakPolarHBondContact CB-OG1 3.46Å; Y518-T528 HydrophobicContact CD1-CG2 4.04Å; Y518-T528 WeakPolarHBondContact CD1-OG1 3.38Å; Y518-T528 PolarHBondContact O-OG1 2.96Å; S524-T528 VanDerWaalsContact O-CB 3.27Å; S524-T528 WeakPolarHBondContact O-CB 3.33Å; S524-T528 PolarHBondContact O-N 3.34Å; S524-T528 PolarHBondContact O-OG1 2.97Å; Q525-T528 PolarHBondContact O-N 3.03Å; L526-T528 VanDerWaalsContact C-N 3.31Å; L526-T528 PolarHBondContact O-N 2.76Å; T528-L531 PolarHBondContact O-N 3.15Å; T528-A532 WeakPolarHBondContact O-CB 3.44Å; T528-A532 PolarHBondContact O-N 3.27Å
529	L	93	Very high	90.1	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.042	11%	0.109	C	C	.	.	H	α-helix	trans	-61.4	-48.9	175.5	175.5	63.7	0	0	0	111.2	L261 V287 F302 L304 Q525 L526 L531 A532 V533	L261-L529 HydrophobicContact CD1-CD2 3.52Å; V287-L529 HydrophobicContact CG1-CD1 3.69Å; V287-L529 HydrophobicContact CG1-CD2 3.99Å; V287-L529 HydrophobicContact CG2-CD1 4.18Å; F302-L529 HydrophobicContact CB-CD1 4.03Å; F302-L529 HydrophobicContact CD1-CD1 4.47Å; F302-L529 HydrophobicContact CG-CD1 4.23Å; L304-L529 HydrophobicContact CD1-CD2 4.18Å; Q525-L529 PolarHBondContact O-N 2.79Å; L526-L529 WeakPolarHBondContact O-CB 3.44Å; L526-L529 PolarHBondContact O-N 3.15Å; L529-L531 VanDerWaalsContact C-N 3.28Å; L529-L531 PolarHBondContact O-N 2.65Å; L529-A532 PolarHBondContact O-N 3.41Å; L529-A532 VanDerWaalsContact O-N 3.17Å; L529-V533 HydrophobicContact CD1-CG2 3.93Å; L529-V533 HydrophobicContact CG-CG2 4.28Å; L529-V533 VanDerWaalsContact O-CG2 3.24Å; L529-V533 WeakPolarHBondContact O-CG2 3.43Å; L529-V533 PolarHBondContact O-N 3.22Å
530	L	92.4	Very high	89.8	Confident	6 Å²	6	20 Å²	20	3%	0.031	11%	0.108	C	C	.	.	H	α-helix	trans	-60.6	-39.4	179.7	-67	175.3	0	0	0	111.8	F197 H219 L526 T527 S534	F197-L530 HydrophobicContact CD2-CD2 3.88Å; F197-L530 HydrophobicContact CE1-CD2 4.3Å; F197-L530 HydrophobicContact CE2-CD2 3.32Å; F197-L530 HydrophobicContact CZ-CD2 3.55Å; H219-L530 HydrophobicContact CB-CD1 4.32Å; L526-L530 HydrophobicContact CD1-CD1 3.86Å; L526-L530 HydrophobicContact CD1-CD2 4.31Å; L526-L530 HydrophobicContact CD1-CG 3.86Å; L526-L530 HydrophobicContact CG-CD1 3.92Å; L526-L530 HydrophobicContact CG-CG 4.31Å; L526-L530 VanDerWaalsContact O-CG 3.31Å; L526-L530 WeakPolarHBondContact O-CG 3.38Å; L526-L530 PolarHBondContact O-N 3.36Å; T527-L530 PolarHBondContact O-N 2.73Å; L530-S534 VanDerWaalsContact O-CB 3.27Å; L530-S534 WeakPolarHBondContact O-CB 3.4Å; L530-S534 PolarHBondContact O-N 3.44Å; L530-S534 PolarHBondContact O-OG 3.18Å
531	L	90.6	Very high	89.6	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.7	-48	174	179.3	62.3	0	0	0	111.4	A471 Y518 T527 T528 L529 V533 S534 R535 Q541 P618 L619	A471-L531 HydrophobicContact CB-CB 4.19Å; A471-L531 HydrophobicContact CB-CD2 3.91Å; A471-L531 HydrophobicContact CB-CG 4.02Å; Y518-L531 HydrophobicContact CE1-CD2 4Å; T527-L531 VanDerWaalsContact O-CB 3.32Å; T527-L531 WeakPolarHBondContact O-CB 3.46Å; T527-L531 PolarHBondContact O-N 2.9Å; T528-L531 PolarHBondContact O-N 3.15Å; L529-L531 VanDerWaalsContact C-N 3.28Å; L529-L531 PolarHBondContact O-N 2.65Å; L531-V533 PolarHBondContact O-N 2.76Å; L531-S534 PolarHBondContact O-N 3.27Å; L531-R535 HydrophobicContact CD1-CG 4.1Å; L531-R535 WeakPolarHBondContact O-CB 3.4Å; L531-R535 WeakPolarHBondContact O-CG 3.31Å; L531-R535 PolarHBondContact O-N 3.34Å; L531-Q541 HydrophobicContact CD1-CG 3.77Å; L531-P618 VanDerWaalsContact CD1-O 3.24Å; L531-P618 WeakPolarHBondContact CD1-O 3.42Å; L531-P618 HydrophobicContact CD2-CB 4.2Å; L531-P618 HydrophobicContact CD2-CG 3.93Å; L531-L619 HydrophobicContact CB-CD2 4.03Å; L531-L619 HydrophobicContact CD2-CD2 4.03Å
532	A	91.3	Very high	89.6	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.3	-46.5	179	0	0	0	0	0	111.2	F302 A471 T528 L529 R536	F302-A532 HydrophobicContact CD1-CB 4Å; F302-A532 HydrophobicContact CE1-CB 3.96Å; A471-A532 HydrophobicContact CB-CB 3.84Å; T528-A532 WeakPolarHBondContact O-CB 3.44Å; T528-A532 PolarHBondContact O-N 3.27Å; L529-A532 PolarHBondContact O-N 3.41Å; L529-A532 VanDerWaalsContact O-N 3.17Å; A532-R536 VanDerWaalsContact O-CB 3.24Å; A532-R536 WeakPolarHBondContact O-CB 3.47Å; A532-R536 PolarHBondContact O-N 3.26Å
533	V	92.4	Very high	89.6	Confident	0 Å²	0	12 Å²	12	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.2	-47.7	179.4	-178.8	0	0	0	0	111	L195 F197 L232 I259 F302 L529 L531 R535 R536 L537	L195-V533 HydrophobicContact CD2-CB 4.15Å; L195-V533 HydrophobicContact CD2-CG1 3.58Å; F197-V533 HydrophobicContact CE1-CG1 4.43Å; F197-V533 HydrophobicContact CZ-CB 4.32Å; F197-V533 HydrophobicContact CZ-CG1 3.99Å; L232-V533 HydrophobicContact CD1-CG1 3.7Å; I259-V533 HydrophobicContact CD1-CG1 4.45Å; I259-V533 HydrophobicContact CD1-CG2 3.85Å; F302-V533 HydrophobicContact CD1-CG2 4.21Å; F302-V533 HydrophobicContact CD2-CG2 4.17Å; F302-V533 HydrophobicContact CE1-CB 4.33Å; F302-V533 HydrophobicContact CE1-CG2 3.82Å; F302-V533 HydrophobicContact CE2-CG2 3.77Å; F302-V533 HydrophobicContact CG-CG2 4.37Å; F302-V533 HydrophobicContact CZ-CB 3.97Å; F302-V533 HydrophobicContact CZ-CG1 4.26Å; F302-V533 HydrophobicContact CZ-CG2 3.57Å; L529-V533 HydrophobicContact CD1-CG2 3.93Å; L529-V533 HydrophobicContact CG-CG2 4.28Å; L529-V533 VanDerWaalsContact O-CG2 3.24Å; L529-V533 WeakPolarHBondContact O-CG2 3.43Å; L529-V533 PolarHBondContact O-N 3.22Å; L531-V533 PolarHBondContact O-N 2.76Å; V533-R535 PolarHBondContact O-N 2.7Å; V533-R536 PolarHBondContact O-N 2.83Å; V533-L537 HydrophobicContact CG1-CD1 4.09Å; V533-L537 WeakPolarHBondContact O-CG 3.36Å; V533-L537 PolarHBondContact O-N 2.87Å
534	S	90.2	Very high	89.6	Confident	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-58.9	-48.5	179.3	-58.7	0	0	0	0	111.3	L530 L531 R536 L537 G538 F539 Q541	L530-S534 VanDerWaalsContact O-CB 3.27Å; L530-S534 WeakPolarHBondContact O-CB 3.4Å; L530-S534 PolarHBondContact O-N 3.44Å; L530-S534 PolarHBondContact O-OG 3.18Å; L531-S534 PolarHBondContact O-N 3.27Å; S534-R536 PolarHBondContact O-N 3.02Å; S534-L537 CarbonylContact O-C 3.52Å; S534-L537 PolarHBondContact O-N 2.89Å; S534-G538 PolarHBondContact O-N 3.21Å; S534-F539 PolarHBondContact O-N 3.03Å; S534-Q541 PolarHBondContact OG-NE2 2.9Å
535	R	87.5	Confident	89.6	Confident	24 Å²	24	11.3 Å²	11.3	9%	0.091	7%	0.069	C	C	.	.	H	α-helix	trans	-64.6	-40.5	179	-75.1	179.2	167.5	-178.4	-4	112.2	E470 L531 V533 L537 G538 P597 R602	E470-R535 HydrophobicContact CB-CB 3.65Å; E470-R535 HydrophobicContact CG-CB 4.4Å; E470-R535 WeakPolarHBondContact O-CD 3.41Å; E470-R535 PolarHBondContact O-NH1 3.35Å; L531-R535 HydrophobicContact CD1-CG 4.1Å; L531-R535 WeakPolarHBondContact O-CB 3.4Å; L531-R535 WeakPolarHBondContact O-CG 3.31Å; L531-R535 PolarHBondContact O-N 3.34Å; V533-R535 PolarHBondContact O-N 2.7Å; R535-L537 VanDerWaalsContact C-N 3.3Å; R535-L537 PolarHBondContact O-N 3.17Å; R535-G538 PolarHBondContact O-N 2.88Å; R535-G538 VanDerWaalsContact O-N 3.11Å; R535-P597 PolarHBondContact NH2-O 3.49Å; R535-R602 WeakPolarHBondContact O-CD 3.5Å
536	R	88.3	Confident	89.7	Confident	3 Å²	3	14.8 Å²	14.8	1%	0.011	9%	0.085	C	C	.	.	H	α-helix	trans	-60.8	-40.4	177	-177.9	166	-61.9	164.7	5.6	112.2	I180 G299 F300 D301 F302 Y467 E470 A532 V533 S534 G538 R602	I180-R536 HydrophobicContact CD1-CG 3.26Å; I180-R536 HydrophobicContact CG1-CG 4.07Å; G299-R536 WeakPolarHBondContact O-CD 3.25Å; F300-R536 VanDerWaalsContact C-NH1 3.33Å; F300-R536 PolarHBondContact O-NH1 3.01Å; D301-R536 VanDerWaalsContact C-NH1 3.33Å; D301-R536 PolarHBondContact O-NH1 2.91Å; F302-R536 HydrophobicContact CE1-CB 4.14Å; F302-R536 VanDerWaalsContact CE1-NH1 3.26Å; F302-R536 HydrophobicContact CZ-CB 3.94Å; F302-R536 HydrophobicContact CZ-CG 4.16Å; F302-R536 VanDerWaalsContact CZ-NH1 3.32Å; Y467-R536 PolarHBondContact OH-NH2 2.71Å; E470-R536 HydrophobicContact CG-CB 4.46Å; E470-R536 IonicContact OE1-CZ 2.78Å; E470-R536 IonicContact OE1-NE 2.97Å; E470-R536 PolarHBondContact OE1-NE 3.05Å; E470-R536 IonicContact OE1-NH2 3.44Å; E470-R536 IonicContact OE2-CZ 3.31Å; E470-R536 IonicContact OE2-NE 3.34Å; E470-R536 PolarHBondContact OE2-NE 3.36Å; E470-R536 VanDerWaalsContact OE2-NE 3.16Å; E470-R536 IonicContact OE2-NH2 3.95Å; E470-R536 PolarHBondContact OE2-NH2 2.95Å; A532-R536 VanDerWaalsContact O-CB 3.24Å; A532-R536 WeakPolarHBondContact O-CB 3.47Å; A532-R536 PolarHBondContact O-N 3.26Å; V533-R536 PolarHBondContact O-N 2.83Å; S534-R536 PolarHBondContact O-N 3.02Å; R536-G538 VanDerWaalsContact C-N 3.3Å; R536-R602 PolarHBondContact O-NH1 2.9Å
537	L	87.7	Confident	89.9	Confident	12 Å²	12	19.7 Å²	19.7	6%	0.063	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-1.1	177.3	-63.5	-177	0	0	0	113.9	I180 I184 W186 L195 L232 V533 S534 R535 F539	I180-L537 HydrophobicContact CG2-CD2 3.71Å; I184-L537 HydrophobicContact CD1-CD2 4.39Å; I184-L537 HydrophobicContact CG1-CD2 4.11Å; W186-L537 HydrophobicContact CH2-CB 4.39Å; W186-L537 HydrophobicContact CH2-CD2 4.14Å; W186-L537 HydrophobicContact CZ2-CD2 4.44Å; L195-L537 HydrophobicContact CD1-CD1 4.06Å; L195-L537 HydrophobicContact CD2-CD1 4.39Å; L232-L537 HydrophobicContact CD1-CD1 3.87Å; L232-L537 HydrophobicContact CD2-CD1 4.48Å; L232-L537 HydrophobicContact CG-CD1 4.38Å; V533-L537 HydrophobicContact CG1-CD1 4.09Å; V533-L537 WeakPolarHBondContact O-CG 3.36Å; V533-L537 PolarHBondContact O-N 2.87Å; S534-L537 CarbonylContact O-C 3.52Å; S534-L537 PolarHBondContact O-N 2.89Å; R535-L537 VanDerWaalsContact C-N 3.3Å; R535-L537 PolarHBondContact O-N 3.17Å; L537-F539 HydrophobicContact CB-CD2 3.58Å; L537-F539 HydrophobicContact CB-CE2 3.72Å; L537-F539 HydrophobicContact CD1-CD2 4.42Å; L537-F539 HydrophobicContact CD1-CE2 4.26Å
538	G	83.2	Confident	90.2	Very high	22 Å²	22	22 Å²	22	23%	0.227	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	20.1	179.2	0	0	0	0	0	114.7	S534 R535 R536 S600	S534-G538 PolarHBondContact O-N 3.21Å; R535-G538 PolarHBondContact O-N 2.88Å; R535-G538 VanDerWaalsContact O-N 3.11Å; R536-G538 VanDerWaalsContact C-N 3.3Å; G538-S600 WeakPolarHBondContact O-CB 3.25Å
539	F	85.9	Confident	90.3	Very high	23 Å²	23	22.5 Å²	22.5	10%	0.101	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-90.1	142.1	175	-67.9	-67.2	0	0	0	112.1	W186 C189 I192 L195 S534 L537	W186-F539 HydrophobicContact CZ3-CE2 4.29Å; W186-F539 HydrophobicContact CZ3-CZ 4.2Å; C189-F539 HydrophobicContact CB-CZ 3.94Å; I192-F539 HydrophobicContact CD1-CD1 4.08Å; I192-F539 HydrophobicContact CD1-CE1 3.54Å; I192-F539 HydrophobicContact CD1-CE2 4.15Å; I192-F539 HydrophobicContact CD1-CZ 3.61Å; I192-F539 HydrophobicContact CG1-CD1 4.02Å; I192-F539 HydrophobicContact CG1-CE1 3.49Å; I192-F539 VanDerWaalsContact CG1-CE1 3.49Å; I192-F539 HydrophobicContact CG1-CZ 4.05Å; L195-F539 HydrophobicContact CB-CB 4.1Å; L195-F539 HydrophobicContact CB-CD2 4.04Å; L195-F539 HydrophobicContact CB-CG 4.17Å; L195-F539 HydrophobicContact CD1-CD2 3.88Å; L195-F539 HydrophobicContact CD1-CE2 4.05Å; L195-F539 HydrophobicContact CG-CD2 4.44Å; S534-F539 PolarHBondContact O-N 3.03Å; L537-F539 HydrophobicContact CB-CD2 3.58Å; L537-F539 HydrophobicContact CB-CE2 3.72Å; L537-F539 HydrophobicContact CD1-CD2 4.42Å; L537-F539 HydrophobicContact CD1-CE2 4.26Å
540	P	84.8	Confident	90.4	Very high	4 Å²	4	26 Å²	26	3%	0.026	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-69.8	163	167	33.4	-36.7	0	0	0	110.9	R193 F194 N593 L621	R193-P540 WeakPolarHBondContact O-CG 3.44Å; F194-P540 WeakPolarHBondContact CB-O 3.28Å; P540-N593 WeakPolarHBondContact CB-O 3.35Å; P540-L621 HydrophobicContact CB-CD2 4.41Å
541	Q	88	Confident	90.5	Very high	4 Å²	4	28 Å²	28	2%	0.019	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-71.3	159.6	169.6	-72.4	-49.6	-82.5	0	0	112.2	H219 L531 S534 G598 P618 L619 L621	H219-Q541 PolarHBondContact NE2-OE1 3.06Å; L531-Q541 HydrophobicContact CD1-CG 3.77Å; S534-Q541 PolarHBondContact OG-NE2 2.9Å; Q541-G598 WeakPolarHBondContact CB-O 3.41Å; Q541-G598 PolarHBondContact N-O 2.97Å; Q541-G598 VanDerWaalsContact N-O 3.08Å; Q541-P618 WeakPolarHBondContact CG-O 3.22Å; Q541-L619 PolarHBondContact OE1-O 2.7Å; Q541-L621 HydrophobicContact CB-CB 4.5Å; Q541-L621 WeakPolarHBondContact O-CB 3.2Å
542	P	89.4	Confident	90.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-56.3	149.7	169.3	25.6	-37.8	0	0	0	111.1	F194 P218 H219 A544 W620 L621	F194-P542 HydrophobicContact CD1-CB 4.41Å; F194-P542 HydrophobicContact CD2-CB 3.95Å; F194-P542 HydrophobicContact CE1-CB 4.35Å; F194-P542 HydrophobicContact CE2-CB 3.88Å; F194-P542 HydrophobicContact CG-CB 4.2Å; F194-P542 HydrophobicContact CZ-CB 4.07Å; P218-P542 HydrophobicContact CB-CB 3.86Å; P218-P542 HydrophobicContact CB-CG 4.25Å; P218-P542 HydrophobicContact CG-CB 3.67Å; P218-P542 HydrophobicContact CG-CG 3.5Å; H219-P542 WeakPolarHBondContact CE1-CD 3.31Å; H219-P542 WeakPolarHBondContact NE2-CD 3.23Å; P542-A544 PolarHBondContact O-N 2.95Å; P542-W620 HydrophobicContact CB-CE3 4.43Å; P542-W620 HydrophobicContact CB-CZ3 4.25Å; P542-W620 HydrophobicContact CG-CE3 3.93Å; P542-W620 HydrophobicContact CG-CZ3 3.86Å; P542-L621 PolarHBondContact O-N 2.83Å
543	P	89.1	Confident	90.5	Very high	37 Å²	37	30.4 Å²	30.4	24%	0.24	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-60.3	140.2	176.3	26.3	-33.5	0	0	0	110.3	W154 Y590 L621	W154-P543 HydrophobicContact CH2-CB 4.49Å; W154-P543 HydrophobicContact CH2-CG 3.87Å; W154-P543 HydrophobicContact CZ3-CB 4.38Å; W154-P543 HydrophobicContact CZ3-CG 3.93Å; P543-Y590 HydrophobicContact CB-CE1 4.21Å; P543-Y590 WeakPolarHBondContact CB-OH 3.48Å; P543-L621 CarbonylContact C-O 3.51Å; P543-L621 WeakPolarHBondContact CA-O 3.32Å
544	A	90.5	Very high	90.3	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.025	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-55	132.6	175.3	0	0	0	0	0	110.1	P542 Q546 W620 L621 F622 F822	P542-A544 PolarHBondContact O-N 2.95Å; A544-Q546 PolarHBondContact O-N 3.12Å; A544-W620 HydrophobicContact CB-CB 3.89Å; A544-W620 HydrophobicContact CB-CG 4.43Å; A544-L621 PolarHBondContact N-O 2.99Å; A544-F622 HydrophobicContact CB-CD1 3.47Å; A544-F622 VanDerWaalsContact CB-CD1 3.47Å; A544-F622 HydrophobicContact CB-CE1 3.68Å; A544-F622 HydrophobicContact CB-CG 4.27Å; A544-F822 HydrophobicContact CB-CD1 3.63Å; A544-F822 HydrophobicContact CB-CE1 3.75Å; A544-F822 HydrophobicContact CB-CG 4.4Å
545	P	92.5	Very high	90.4	Very high	45 Å²	45	46.8 Å²	46.8	29%	0.292	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-62.5	127.4	-175.2	-22.1	33.4	0	0	0	111.2	W620 F822 W826	P545-W620 HydrophobicContact CG-CE3 4.28Å; P545-W620 HydrophobicContact CG-CH2 3.75Å; P545-W620 HydrophobicContact CG-CZ2 4.15Å; P545-W620 HydrophobicContact CG-CZ3 3.79Å; P545-F822 WeakPolarHBondContact O-CD1 3.44Å; P545-F822 VanDerWaalsContact O-CE1 3.31Å; P545-F822 WeakPolarHBondContact O-CE1 3.39Å; P545-W826 HydrophobicContact CB-CZ2 3.98Å; P545-W826 PolarHBondContact O-NE1 2.95Å
546	Q	93.3	Very high	90.8	Very high	75 Å²	75	48.1 Å²	48.1	35%	0.35	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-90.2	153.2	172	-68.3	-179.6	-15.5	0	0	110.1	A544 P742 D744 F822	A544-Q546 PolarHBondContact O-N 3.12Å; Q546-P742 WeakPolarHBondContact CA-O 3.5Å; Q546-D744 HydrophobicContact CB-CB 4.23Å; Q546-F822 HydrophobicContact CG-CE1 4.02Å; Q546-F822 HydrophobicContact CG-CZ 4.01Å
547	W	95.4	Very high	91.1	Very high	108 Å²	108	52.3 Å²	52.3	41%	0.409	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-83.9	116.4	173.4	-163.1	-86	0	0	0	109.3	S549 L741 P742 Y743 D744 W826	W547-S549 PolarHBondContact O-N 2.87Å; W547-L741 HydrophobicContact CB-CB 4.18Å; W547-L741 HydrophobicContact CD2-CB 4.38Å; W547-L741 HydrophobicContact CD2-CD1 3.9Å; W547-L741 HydrophobicContact CD2-CD2 4.13Å; W547-L741 HydrophobicContact CD2-CG 4.37Å; W547-L741 HydrophobicContact CE3-CD1 4.47Å; W547-L741 HydrophobicContact CE3-CD2 3.92Å; W547-L741 HydrophobicContact CG-CB 4.09Å; W547-L741 HydrophobicContact CG-CD1 4.14Å; W547-L741 HydrophobicContact CZ2-CD1 4.12Å; W547-L741 HydrophobicContact CZ3-CD2 4.15Å; W547-P742 HydrophobicContact CB-CG 4.35Å; W547-P742 PolarHBondContact N-O 2.61Å; W547-Y743 HydrophobicContact CB-CD1 4.24Å; W547-Y743 AromaticContact CD1-CD1 3.79Å; W547-Y743 AromaticContact CD1-CE1 3.6Å; W547-Y743 HydrophobicContact CG-CD1 4.32Å; W547-Y743 HydrophobicContact CG-CE1 4.31Å; W547-Y743 WeakPolarHBondContact O-CA 3.3Å; W547-D744 PolarHBondContact O-N 3.4Å; W547-D744 VanDerWaalsContact O-N 3.08Å; W547-W826 HydrophobicContact CE3-CH2 4.32Å; W547-W826 HydrophobicContact CE3-CZ2 4.32Å; W547-W826 HydrophobicContact CZ3-CH2 4.24Å
548	S	95.6	Very high	91.4	Very high	87 Å²	87	52.1 Å²	52.1	61%	0.608	27%	0.266	S	S	*	.			trans	-66	114.6	177.5	-61.1	0	0	0	0	110.3
549	S	96	Very high	91.8	Very high	10 Å²	10	55 Å²	55	7%	0.07	28%	0.281	C	S	.	.			trans	-74.6	137.8	-180	-59.2	0	0	0	0	111	W547 F556 Y743 D744 L745	W547-S549 PolarHBondContact O-N 2.87Å; S549-F556 WeakPolarHBondContact O-CZ 3.22Å; S549-Y743 WeakPolarHBondContact OG-CD1 3.32Å; S549-D744 WeakPolarHBondContact CB-OD1 3.21Å; S549-D744 PolarHBondContact N-OD1 2.95Å; S549-D744 VanDerWaalsContact N-OD1 3.08Å; S549-D744 PolarHBondContact N-OD2 3.07Å; S549-D744 PolarHBondContact OG-OD1 3.41Å; S549-L745 WeakPolarHBondContact OG-CG 3.4Å
550	L	94.6	Very high	92.1	Very high	82 Å²	82	58.1 Å²	58.1	43%	0.429	29%	0.294	S	S	.	.			trans	-107.1	123.9	175.8	-64.6	176.3	0	0	0	109.5	I729 R730	L550-I729 CarbonylContact O-C 3.53Å; L550-I729 VanDerWaalsContact O-CA 3.24Å; L550-I729 WeakPolarHBondContact O-CA 3.4Å; L550-R730 PolarHBondContact O-N 3.4Å
551	P	94.9	Very high	92.6	Very high	47 Å²	47	61.9 Å²	61.9	31%	0.305	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-66.2	141.6	179.3	28.8	-34.2	0	0	0	109.9	Y553 E555 F556	P551-Y553 WeakPolarHBondContact CB-O 3.32Å; P551-E555 WeakPolarHBondContact CB-O 3.01Å; P551-F556 HydrophobicContact CB-CD1 3.68Å; P551-F556 HydrophobicContact CB-CE1 3.77Å; P551-F556 HydrophobicContact CB-CG 4.2Å; P551-F556 HydrophobicContact CB-CZ 4.37Å; P551-F556 HydrophobicContact CG-CE1 4.26Å; P551-F556 HydrophobicContact CG-CZ 4.49Å; P551-F556 VanDerWaalsContact N-CE1 3.35Å
552	V	91.3	Very high	93	Very high	16 Å²	16	64.6 Å²	64.6	10%	0.097	32%	0.322	C	S	.	.	S	Bend	trans	-68	-40.7	171.7	166.8	0	0	0	0	111.2	W707 P712 P713 V728 I729 R730	V552-W707 HydrophobicContact CG2-CB 3.82Å; V552-W707 HydrophobicContact CG2-CG 4.36Å; V552-P712 HydrophobicContact CG1-CB 4.12Å; V552-P713 HydrophobicContact CG1-CG 3.54Å; V552-V728 HydrophobicContact CB-CB 4.36Å; V552-V728 HydrophobicContact CB-CG1 4.07Å; V552-V728 HydrophobicContact CG2-CB 4.26Å; V552-V728 HydrophobicContact CG2-CG1 3.61Å; V552-V728 PolarHBondContact N-O 3.08Å; V552-I729 WeakPolarHBondContact CG2-O 3.33Å; V552-R730 HydrophobicContact CG2-CB 3.83Å
553	Y	90.2	Very high	93.1	Very high	36 Å²	36	68.9 Å²	68.9	14%	0.141	35%	0.35	C	S	.	.	S	Bend	trans	-101.1	-161.4	177.6	-51.8	-71.2	0	0	0	109.7	P551 E555 P558 P559 P713 P715 W719	P551-Y553 WeakPolarHBondContact CB-O 3.32Å; Y553-E555 PolarHBondContact O-N 3.01Å; Y553-P558 HydrophobicContact CE2-CB 4.27Å; Y553-P559 HydrophobicContact CD1-CG 4.29Å; Y553-P559 HydrophobicContact CE1-CG 4.45Å; Y553-P559 HydrophobicContact CG-CG 4.42Å; Y553-P713 HydrophobicContact CE1-CG 4.2Å; Y553-P713 WeakPolarHBondContact OH-CG 3.25Å; Y553-P715 HydrophobicContact CE1-CB 4.48Å; Y553-W719 PolarHBondContact OH-NE1 3.29Å
554	K	88.8	Confident	93	Very high	211 Å²	211	68.3 Å²	68.3	92%	0.917	35%	0.345	S	S	*	.	S	Bend	trans	-65.2	-30.2	171.4	-66.9	-176.6	179.4	179.4	0	112.3
555	E	92.6	Very high	92.4	Very high	132 Å²	132	74.5 Å²	74.5	62%	0.617	37%	0.372	S	S	*	.	S	Bend	trans	-126.2	169.8	178.6	-64.4	177.9	-174.8	0	0	109.3	P551 Y553	P551-E555 WeakPolarHBondContact CB-O 3.01Å; Y553-E555 PolarHBondContact O-N 3.01Å
556	F	95.8	Very high	91.2	Very high	53 Å²	53	79.2 Å²	79.2	23%	0.232	39%	0.388	C	S	.	.	S	Bend	trans	-74.5	-28.2	177.2	-65.7	-69.4	0	0	0	112.5	S549 P551 K727 V728 I729 L745	S549-F556 WeakPolarHBondContact O-CZ 3.22Å; P551-F556 HydrophobicContact CB-CD1 3.68Å; P551-F556 HydrophobicContact CB-CE1 3.77Å; P551-F556 HydrophobicContact CB-CG 4.2Å; P551-F556 HydrophobicContact CB-CZ 4.37Å; P551-F556 HydrophobicContact CG-CE1 4.26Å; P551-F556 HydrophobicContact CG-CZ 4.49Å; P551-F556 VanDerWaalsContact N-CE1 3.35Å; F556-K727 HydrophobicContact CB-CB 4.2Å; F556-K727 HydrophobicContact CB-CG 4.44Å; F556-K727 CarbonylContact O-C 3.54Å; F556-K727 WeakPolarHBondContact O-CA 3.45Å; F556-V728 PolarHBondContact O-N 3.34Å; F556-I729 HydrophobicContact CD1-CG2 3.88Å; F556-I729 HydrophobicContact CE1-CG2 3.99Å; F556-L745 HydrophobicContact CD1-CD1 3.57Å; F556-L745 HydrophobicContact CD2-CD1 4.29Å; F556-L745 HydrophobicContact CD2-CD2 4.11Å; F556-L745 HydrophobicContact CE1-CD1 3.63Å; F556-L745 HydrophobicContact CE2-CD1 4.35Å; F556-L745 HydrophobicContact CE2-CD2 3.94Å; F556-L745 HydrophobicContact CG-CD1 3.91Å; F556-L745 HydrophobicContact CZ-CD1 4.03Å; F556-L745 HydrophobicContact CZ-CD2 4.21Å; F556-L745 HydrophobicContact CZ-CG 4.49Å
557	Q	94.1	Very high	89.9	Confident	91 Å²	91	84.8 Å²	84.8	43%	0.425	41%	0.414	S	S	.	.	S	Bend	trans	-76	143.7	175.6	-67.1	99.7	-22.5	0	0	111.8
558	P	93.5	Very high	88.2	Confident	7 Å²	7	85 Å²	85	5%	0.045	42%	0.424	C	S	.	.			trans	-61.6	138.5	170.5	-20.6	29.9	0	0	0	112.4	Y553 W719 I726 V728	Y553-P558 HydrophobicContact CE2-CB 4.27Å; P558-W719 HydrophobicContact CB-CB 3.82Å; P558-W719 VanDerWaalsContact CB-CD1 3.4Å; P558-W719 HydrophobicContact CB-CD2 3.91Å; P558-W719 HydrophobicContact CB-CG 3.41Å; P558-W719 VanDerWaalsContact CB-CG 3.41Å; P558-W719 HydrophobicContact CG-CB 3.92Å; P558-W719 HydrophobicContact CG-CD2 3.61Å; P558-W719 HydrophobicContact CG-CE3 4.05Å; P558-W719 HydrophobicContact CG-CG 3.56Å; P558-I726 VanDerWaalsContact CD-O 3.25Å; P558-I726 WeakPolarHBondContact CD-O 3.25Å; P558-I726 HydrophobicContact CG-CB 4.43Å; P558-I726 HydrophobicContact CG-CG2 4.25Å; P558-V728 HydrophobicContact CG-CG2 3.79Å
559	P	90.7	Very high	86.7	Confident	83 Å²	83	81.9 Å²	81.9	54%	0.539	40%	0.4	S	S	.	.	S	Bend	trans	-75.1	-30	-175.4	28.9	-35.4	0	0	0	113.9	Y553	Y553-P559 HydrophobicContact CD1-CG 4.29Å; Y553-P559 HydrophobicContact CE1-CG 4.45Å; Y553-P559 HydrophobicContact CG-CG 4.42Å
560	K	94	Very high	85.1	Confident	89 Å²	89	90.7 Å²	90.7	39%	0.387	44%	0.438	S	S	.	.			trans	-116.6	128.8	178.5	-67.3	-172.8	-170.6	176.2	0	109.6	D716 W719	K560-D716 IonicContact NZ-OD1 3.81Å; K560-D716 PolarHBondContact NZ-OD1 3.25Å; K560-W719 PolarHBondContact O-N 2.72Å
561	Q	94.9	Very high	83.9	Confident	83 Å²	83	87.4 Å²	87.4	39%	0.388	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.7	177	-62.1	-179.8	-1.8	0	0	111.3	W719 Q721	Q561-W719 CarbonylContact C-O 3.55Å; Q561-W719 WeakPolarHBondContact CA-O 3.32Å; Q561-W719 WeakPolarHBondContact CB-O 3.41Å; Q561-Q721 HydrophobicContact CB-CB 4.14Å
562	Y	94.9	Very high	82.3	Confident	61 Å²	61	87.9 Å²	87.9	24%	0.239	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.7	174.4	63.5	-91.2	0	0	0	111.1	E692 S718 W719 P720 Q721	Y562-E692 VanDerWaalsContact CE2-OE1 3.27Å; Y562-E692 WeakPolarHBondContact CE2-OE1 3.26Å; Y562-E692 VanDerWaalsContact CZ-OE1 3.29Å; Y562-E692 PolarHBondContact OH-OE1 3.03Å; Y562-S718 VanDerWaalsContact CE1-O 3.25Å; Y562-S718 WeakPolarHBondContact CE1-O 3.36Å; Y562-W719 VanDerWaalsContact CD1-C 3.42Å; Y562-W719 WeakPolarHBondContact CD1-O 3.33Å; Y562-W719 PolarHBondContact N-O 2.78Å; Y562-P720 HydrophobicContact CE1-CB 4.3Å; Y562-P720 VanDerWaalsContact CE1-N 3.29Å; Y562-P720 HydrophobicContact CE2-CB 4.12Å; Y562-Q721 WeakPolarHBondContact O-CB 3.32Å; Y562-Q721 PolarHBondContact O-N 3.14Å
563	P	92.8	Very high	80.9	Confident	90 Å²	90	90.1 Å²	90.1	58%	0.584	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-70.4	141.4	176	30.1	-34.6	0	0	0	110.7
564	I	87.1	Confident	79.6	Confident	26 Å²	26	89 Å²	89	13%	0.133	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-94.3	128.3	178.2	-52.4	165.5	0	0	0	108.9	K566 E692 L695 P720 Q721 L722	I564-K566 PolarHBondContact O-N 3.1Å; I564-E692 HydrophobicContact CD1-CB 4.35Å; I564-E692 HydrophobicContact CD1-CG 3.96Å; I564-E692 HydrophobicContact CG1-CG 4.11Å; I564-E692 HydrophobicContact CG2-CG 4.34Å; I564-L695 HydrophobicContact CB-CD2 3.99Å; I564-L695 HydrophobicContact CD1-CB 4.16Å; I564-L695 HydrophobicContact CD1-CD1 4.27Å; I564-L695 HydrophobicContact CD1-CD2 4.14Å; I564-L695 HydrophobicContact CD1-CG 4.41Å; I564-L695 HydrophobicContact CG2-CD2 4.01Å; I564-P720 HydrophobicContact CD1-CB 3.76Å; I564-P720 HydrophobicContact CG1-CB 4Å; I564-Q721 WeakPolarHBondContact CD1-O 3.26Å; I564-L722 HydrophobicContact CD1-CD2 3.47Å; I564-L722 VanDerWaalsContact CD1-CD2 3.47Å
565	H	78.2	Confident	78.3	Confident	132 Å²	132	79.3 Å²	79.3	61%	0.611	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-76.6	119.9	175	-68.8	-76.3	0	0	0	110.4	E567 N568	H565-E567 PolarHBondContact O-N 3.12Å; H565-N568 WeakPolarHBondContact O-CB 3.07Å; H565-N568 PolarHBondContact O-N 2.88Å
566	K	67	Low	76.9	Confident	144 Å²	144	73.5 Å²	73.5	63%	0.626	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-53.9	-37.9	-177.1	-71.2	-175	177.9	-176.8	0	113.4	I564 N568 N569 V572	I564-K566 PolarHBondContact O-N 3.1Å; K566-N568 PolarHBondContact O-N 3.24Å; K566-N568 VanDerWaalsContact O-N 3.16Å; K566-N569 PolarHBondContact O-N 3.2Å; K566-V572 VanDerWaalsContact O-CG2 3.27Å; K566-V572 WeakPolarHBondContact O-CG2 3.29Å
567	E	65.2	Low	75.6	Confident	192 Å²	192	72.4 Å²	72.4	90%	0.897	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-61.5	-21.8	-179.9	-64.2	179.2	-176.7	0	0	113.2	H565	H565-E567 PolarHBondContact O-N 3.12Å
568	N	59.9	Low	74.8	Confident	114 Å²	114	68.3 Å²	68.3	61%	0.61	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-85.6	-10.9	177.7	-63.1	-8.3	0	0	0	112.8	H565 K566	H565-N568 WeakPolarHBondContact O-CB 3.07Å; H565-N568 PolarHBondContact O-N 2.88Å; K566-N568 PolarHBondContact O-N 3.24Å; K566-N568 VanDerWaalsContact O-N 3.16Å
569	N	65.3	Low	74	Confident	20 Å²	20	68.1 Å²	68.1	11%	0.107	34%	0.337	C	S	.	.			trans	-89.3	115.4	-177.9	-166.3	-12.3	0	0	0	110.3	K566 Q571 V572	K566-N569 PolarHBondContact O-N 3.2Å; N569-Q571 PolarHBondContact O-N 3.2Å; N569-Q571 WeakPolarHBondContact OD1-CB 3.08Å; N569-Q571 VanDerWaalsContact OD1-CG 3.23Å; N569-Q571 WeakPolarHBondContact OD1-CG 3.44Å; N569-Q571 PolarHBondContact OD1-N 2.8Å; N569-Q571 VanDerWaalsContact OD1-N 3.11Å; N569-V572 HydrophobicContact CB-CG2 4.32Å; N569-V572 VanDerWaalsContact O-CG2 3.28Å; N569-V572 WeakPolarHBondContact O-CG2 3.43Å; N569-V572 PolarHBondContact O-N 3.5Å
570	F	62	Low	73.6	Confident	196 Å²	196	64.2 Å²	64.2	86%	0.86	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-12	177.1	-66.4	-84.8	0	0	0	113.8
571	Q	69.7	Low	73	Confident	13 Å²	13	61.8 Å²	61.8	6%	0.061	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-7.3	-176.3	-54.5	-64.4	-23.6	0	0	114.9	N569 D573 L574 L760 R761	N569-Q571 PolarHBondContact O-N 3.2Å; N569-Q571 WeakPolarHBondContact OD1-CB 3.08Å; N569-Q571 VanDerWaalsContact OD1-CG 3.23Å; N569-Q571 WeakPolarHBondContact OD1-CG 3.44Å; N569-Q571 PolarHBondContact OD1-N 2.8Å; N569-Q571 VanDerWaalsContact OD1-N 3.11Å; Q571-D573 VanDerWaalsContact C-N 3.32Å; Q571-D573 PolarHBondContact O-N 3.44Å; Q571-D573 VanDerWaalsContact O-N 3.13Å; Q571-L574 WeakPolarHBondContact O-CB 3.46Å; Q571-L574 PolarHBondContact O-N 3.29Å; Q571-L760 PolarHBondContact NE2-O 2.92Å; Q571-R761 VanDerWaalsContact OE1-CA 3.3Å
572	V	59.5	Low	72.2	Confident	57 Å²	57	58.1 Å²	58.1	35%	0.345	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-36.4	-167.2	174.3	0	0	0	0	114.2	K566 N569 L574	K566-V572 VanDerWaalsContact O-CG2 3.27Å; K566-V572 WeakPolarHBondContact O-CG2 3.29Å; N569-V572 HydrophobicContact CB-CG2 4.32Å; N569-V572 VanDerWaalsContact O-CG2 3.28Å; N569-V572 WeakPolarHBondContact O-CG2 3.43Å; N569-V572 PolarHBondContact O-N 3.5Å; V572-L574 VanDerWaalsContact C-N 3.26Å; V572-L574 PolarHBondContact O-N 2.01Å
573	D	62.7	Low	71.7	Confident	63 Å²	63	56.1 Å²	56.1	34%	0.337	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-3.1	-178.1	-179.8	42.7	0	0	0	114.2	R124 Q571 K928 Y929	R124-D573 IonicContact CZ-OD1 3.82Å; R124-D573 IonicContact NH1-OD1 3.43Å; R124-D573 PolarHBondContact NH1-OD1 2.58Å; Q571-D573 VanDerWaalsContact C-N 3.32Å; Q571-D573 PolarHBondContact O-N 3.44Å; Q571-D573 VanDerWaalsContact O-N 3.13Å; D573-K928 IonicContact OD1-NZ 2.72Å; D573-K928 PolarHBondContact OD1-NZ 2.84Å; D573-K928 IonicContact OD2-NZ 3.95Å; D573-K928 PolarHBondContact OD2-NZ 2.92Å; D573-Y929 PolarHBondContact OD2-OH 2.98Å
574	L	63.1	Low	71.6	Confident	11 Å²	11	56.6 Å²	56.6	6%	0.058	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-27	178.3	-81.5	167.1	0	0	0	113.6	Q571 V572 D576 F577 L578 R761 D763 K928 Y929	Q571-L574 WeakPolarHBondContact O-CB 3.46Å; Q571-L574 PolarHBondContact O-N 3.29Å; V572-L574 VanDerWaalsContact C-N 3.26Å; V572-L574 PolarHBondContact O-N 2.01Å; L574-D576 PolarHBondContact O-N 2.88Å; L574-F577 PolarHBondContact O-N 2.98Å; L574-L578 HydrophobicContact CB-CD1 4.28Å; L574-R761 HydrophobicContact CD1-CB 4.03Å; L574-D763 WeakPolarHBondContact CD1-OD1 3.38Å; L574-D763 HydrophobicContact CD2-CB 4.04Å; L574-K928 HydrophobicContact CD2-CB 4.31Å; L574-Y929 HydrophobicContact CD1-CD2 4.21Å; L574-Y929 HydrophobicContact CD1-CE2 4.34Å; L574-Y929 HydrophobicContact CD2-CD2 3.34Å; L574-Y929 HydrophobicContact CD2-CE2 3.52Å; L574-Y929 HydrophobicContact CG-CD2 3.98Å; L574-Y929 HydrophobicContact CG-CE2 3.83Å
575	D	60.9	Low	71.6	Confident	9 Å²	9	57.8 Å²	57.8	5%	0.048	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-60.1	-23.5	-164.2	-108.4	24	0	0	0	114.4	R128 N696 H762	R128-D575 VanDerWaalsContact CD-O 3.32Å; R128-D575 WeakPolarHBondContact CD-O 3.44Å; R128-D575 IonicContact CZ-OD2 2.81Å; R128-D575 PolarHBondContact NE-O 2.9Å; R128-D575 VanDerWaalsContact NH1-CG 3.26Å; R128-D575 IonicContact NH1-OD2 3.19Å; R128-D575 PolarHBondContact NH1-OD2 3.16Å; R128-D575 IonicContact NH2-OD1 2.92Å; R128-D575 IonicContact NH2-OD2 2.95Å; R128-D575 PolarHBondContact NH2-OD2 3.27Å; D575-N696 WeakPolarHBondContact OD2-CB 3.45Å; D575-H762 IonicContact OD1-CE1 3.41Å; D575-H762 PolarHBondContact OD1-CE1 3.13Å; D575-H762 VanDerWaalsContact OD1-CE1 3.25Å; D575-H762 IonicContact OD1-CG 3.53Å; D575-H762 IonicContact OD1-ND1 2.58Å; D575-H762 PolarHBondContact OD1-ND1 2.95Å
576	D	64.2	Low	72.2	Confident	9 Å²	9	53.9 Å²	53.9	5%	0.048	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-84.3	-10	-173.2	-60.5	-42.9	0	0	0	115.1	R124 L574	R124-D576 HydrophobicContact CB-CB 3.64Å; R124-D576 VanDerWaalsContact CB-CG 3.46Å; R124-D576 WeakPolarHBondContact CB-OD2 3.42Å; R124-D576 WeakPolarHBondContact CD-OD2 3.29Å; R124-D576 HydrophobicContact CG-CB 4.32Å; L574-D576 PolarHBondContact O-N 2.88Å
577	F	67.1	Low	73.3	Confident	31 Å²	31	48 Å²	48	14%	0.136	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-123.9	17.2	-171.4	-60.9	-71.5	0	0	0	114.6	R124 L574 N662 Q924	R124-F577 HydrophobicContact CG-CE2 4.24Å; R124-F577 HydrophobicContact CG-CZ 3.88Å; L574-F577 PolarHBondContact O-N 2.98Å; F577-N662 CarbonylContact C-O 3.5Å; F577-N662 VanDerWaalsContact C-O 3.27Å; F577-N662 HydrophobicContact CB-CB 4.09Å; F577-N662 HydrophobicContact CD1-CB 4.46Å; F577-N662 VanDerWaalsContact O-CA 3.25Å; F577-N662 WeakPolarHBondContact O-CA 3.39Å; F577-N662 WeakPolarHBondContact O-CB 3.46Å; F577-Q924 VanDerWaalsContact CD1-NE2 3.3Å; F577-Q924 VanDerWaalsContact CE1-NE2 3.31Å
578	L	77.7	Confident	74	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.021	22%	0.218	C	C	.	.	S	Bend	trans	-118.5	13.6	-171	-64.7	177	0	0	0	113.9	L574 N662 P698 Y699 H762 D763 V766 Y927	L574-L578 HydrophobicContact CB-CD1 4.28Å; L578-N662 CarbonylContact C-O 3.59Å; L578-N662 PolarHBondContact N-O 3.28Å; L578-P698 HydrophobicContact CB-CG 3.84Å; L578-P698 VanDerWaalsContact O-CB 3.3Å; L578-P698 WeakPolarHBondContact O-CB 3.27Å; L578-Y699 WeakPolarHBondContact O-CE2 3.31Å; L578-H762 HydrophobicContact CD1-CB 3.48Å; L578-H762 VanDerWaalsContact CD1-CB 3.48Å; L578-D763 HydrophobicContact CD1-CB 3.97Å; L578-D763 VanDerWaalsContact CD1-N 3.31Å; L578-D763 HydrophobicContact CD2-CB 3.78Å; L578-D763 HydrophobicContact CG-CB 4.49Å; L578-V766 HydrophobicContact CB-CG2 4.38Å; L578-Y927 HydrophobicContact CD2-CD1 4.05Å; L578-Y927 HydrophobicContact CD2-CE1 4.31Å
579	G	77.9	Confident	75.1	Confident	4 Å²	4	38.6 Å²	38.6	4%	0.041	20%	0.204	C	C	.	.			trans	96	-178.1	178	0	0	0	0	0	113.8	N662	G579-N662 WeakPolarHBondContact CA-O 3.41Å; G579-N662 PolarHBondContact N-O 2.88Å
580	P	81.2	Confident	75.8	Confident	1 Å²	1	39 Å²	39	1%	0.006	20%	0.204	C	C	.	.			trans	-75.3	148.2	-176.3	32.4	-36.1	0	0	0	111.2	A131 G582 M663 Y671 Y699	A131-P580 HydrophobicContact CB-CB 4.42Å; P580-G582 VanDerWaalsContact C-N 3.31Å; P580-M663 WeakPolarHBondContact CD-O 2.92Å; P580-Y671 HydrophobicContact CG-CE2 4.29Å; P580-Y699 HydrophobicContact CG-CE1 4.48Å
581	I	82.3	Confident	76.2	Confident	37 Å²	37	33.7 Å²	33.7	19%	0.19	18%	0.182	C	C	.	.			trans	-67.4	-42.1	161.7	-64.4	173.2	0	0	0	108.8	N696 H723	I581-N696 HydrophobicContact CD1-CB 3.76Å; I581-H723 WeakPolarHBondContact CG2-CD2 3.37Å
582	G	78.2	Confident	76.2	Confident	6 Å²	6	34.2 Å²	34.2	6%	0.062	19%	0.187	C	C	.	.			trans	61.1	174.1	170.6	0	0	0	0	0	114.7	Y136 P580	Y136-G582 PolarHBondContact OH-O 3.48Å; P580-G582 VanDerWaalsContact C-N 3.31Å
583	P	84.4	Confident	76.7	Confident	19 Å²	19	31.8 Å²	31.8	12%	0.123	17%	0.172	C	C	.	.	S	Bend	trans	-66.7	148.9	169.1	27.1	-30.8	0	0	0	110.6	Y136 T139 Q585 Q673	Y136-P583 HydrophobicContact CD1-CB 3.9Å; Y136-P583 HydrophobicContact CD1-CG 3.95Å; Y136-P583 HydrophobicContact CE1-CB 3.54Å; Y136-P583 HydrophobicContact CE1-CG 4.05Å; Y136-P583 HydrophobicContact CG-CG 4.37Å; T139-P583 HydrophobicContact CG2-CG 3.86Å; T139-P583 WeakPolarHBondContact OG1-CG 3.12Å; P583-Q585 PolarHBondContact O-N 3.47Å; P583-Q673 PolarHBondContact O-NE2 3.35Å
584	Q	89.7	Confident	77	Confident	101 Å²	101	32.5 Å²	32.5	47%	0.472	17%	0.171	S	C	.	.			trans	-59.9	126	167.7	-172.7	-179	18	0	0	109.6	H701	Q584-H701 WeakPolarHBondContact CG-CD2 3.45Å; Q584-H701 WeakPolarHBondContact CG-NE2 3.48Å; Q584-H701 PolarHBondContact NE2-CE1 3.3Å; Q584-H701 PolarHBondContact NE2-ND1 3.48Å; Q584-H701 PolarHBondContact NE2-NE2 3.43Å; Q584-H701 VanDerWaalsContact NE2-NE2 3.14Å; Q584-H701 PolarHBondContact NE2-O 2.92Å
585	Q	87.4	Confident	77.5	Confident	50 Å²	50	34.2 Å²	34.2	23%	0.234	18%	0.182	C	C	.	.			trans	-134.7	105.2	-177.9	-176.5	169.6	-2.2	0	0	110.1	P583 Y671	P583-Q585 PolarHBondContact O-N 3.47Å; Q585-Y671 HydrophobicContact CB-CE1 4.31Å
586	S	91.1	Very high	78	Confident	51 Å²	51	33.9 Å²	33.9	36%	0.357	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-65.1	148.2	173.6	-42.3	0	0	0	0	111.2	H701 E747	S586-H701 PolarHBondContact OG-NE2 3.01Å; S586-E747 PolarHBondContact OG-OE2 3.28Å
587	S	89.8	Confident	78.2	Confident	19 Å²	19	34 Å²	34	13%	0.133	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-61	145.3	169.5	-83.1	0	0	0	0	110.8	S589 E747 D749	S587-S589 PolarHBondContact O-N 3.19Å; S587-E747 WeakPolarHBondContact CB-O 3.05Å; S587-E747 PolarHBondContact N-O 2.86Å; S587-D749 VanDerWaalsContact CB-CG 3.48Å; S587-D749 WeakPolarHBondContact CB-OD2 3.45Å; S587-D749 PolarHBondContact OG-N 2.96Å; S587-D749 PolarHBondContact OG-OD2 2.74Å
588	I	81	Confident	77.9	Confident	65 Å²	65	32.7 Å²	32.7	33%	0.333	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-74.4	122.3	173.2	-53.3	172.3	0	0	0	107.4	Q591	I588-Q591 HydrophobicContact CB-CG 4.19Å; I588-Q591 VanDerWaalsContact CB-NE2 3.32Å; I588-Q591 HydrophobicContact CG2-CG 3.57Å
589	S	82.7	Confident	77.2	Confident	44 Å²	44	32.5 Å²	32.5	31%	0.308	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-99.5	154.4	175.7	50.8	0	0	0	0	111.3	S587 P623	S587-S589 PolarHBondContact O-N 3.19Å; S589-P623 CarbonylContact C-O 3.5Å; S589-P623 WeakPolarHBondContact CA-O 3.46Å
590	Y	78.6	Confident	76.1	Confident	28 Å²	28	32.3 Å²	32.3	11%	0.11	17%	0.174	C	C	.	.			trans	61.4	47.5	170.7	-61.1	-69.1	0	0	0	111.9	W154 P543 N593 L621 P623	W154-Y590 VanDerWaalsContact CB-CB 3.46Å; W154-Y590 HydrophobicContact CB-CD2 3.94Å; W154-Y590 HydrophobicContact CB-CG 3.76Å; W154-Y590 HydrophobicContact CG-CG 4.36Å; P543-Y590 HydrophobicContact CB-CE1 4.21Å; P543-Y590 WeakPolarHBondContact CB-OH 3.48Å; Y590-N593 WeakPolarHBondContact CA-OD1 3.23Å; Y590-N593 WeakPolarHBondContact CB-ND2 3.2Å; Y590-N593 WeakPolarHBondContact CB-OD1 3.45Å; Y590-N593 PolarHBondContact O-ND2 3.47Å; Y590-N593 PolarHBondContact O-OD1 3.07Å; Y590-N593 VanDerWaalsContact O-OD1 3.11Å; Y590-L621 HydrophobicContact CD1-CD2 3.89Å; Y590-L621 HydrophobicContact CD1-CG 3.82Å; Y590-L621 HydrophobicContact CE1-CD2 4.22Å; Y590-L621 HydrophobicContact CE1-CG 3.98Å; Y590-P623 HydrophobicContact CE1-CB 4.38Å; Y590-P623 HydrophobicContact CE1-CG 4.29Å; Y590-P623 HydrophobicContact CE2-CB 4.29Å; Y590-P623 HydrophobicContact CE2-CG 4.42Å; Y590-P623 PolarHBondContact N-O 2.98Å
591	Q	71.3	Confident	74.8	Confident	85 Å²	85	33.6 Å²	33.6	40%	0.397	19%	0.185	S	C	.	.	S	Bend	trans	-77.5	-30.4	178	-69.1	-168.5	-13.7	0	0	113.1	I588	I588-Q591 HydrophobicContact CB-CG 4.19Å; I588-Q591 VanDerWaalsContact CB-NE2 3.32Å; I588-Q591 HydrophobicContact CG2-CG 3.57Å
592	S	68.9	Low	73.5	Confident	25 Å²	25	38.2 Å²	38.2	18%	0.175	20%	0.2	C	C	.	.			trans	-109.8	29.1	-172.3	59	0	0	0	0	113.4	Y594 T595 G596	S592-Y594 PolarHBondContact O-N 3.04Å; S592-T595 PolarHBondContact O-N 2.65Å; S592-T595 VanDerWaalsContact O-N 3.12Å; S592-G596 WeakPolarHBondContact O-CA 3.38Å; S592-G596 PolarHBondContact O-N 2.77Å
593	N	70	Confident	72.5	Confident	6 Å²	6	43.4 Å²	43.4	3%	0.032	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-20	-172.1	-49.3	-33.2	0	0	0	115.4	P540 Y590 G599 S600 L621	P540-N593 WeakPolarHBondContact CB-O 3.35Å; Y590-N593 WeakPolarHBondContact CA-OD1 3.23Å; Y590-N593 WeakPolarHBondContact CB-ND2 3.2Å; Y590-N593 WeakPolarHBondContact CB-OD1 3.45Å; Y590-N593 PolarHBondContact O-ND2 3.47Å; Y590-N593 PolarHBondContact O-OD1 3.07Å; Y590-N593 VanDerWaalsContact O-OD1 3.11Å; N593-G599 WeakPolarHBondContact O-CA 3.27Å; N593-S600 PolarHBondContact O-N 3.41Å; N593-L621 HydrophobicContact CB-CD1 4.19Å; N593-L621 HydrophobicContact CB-CD2 3.92Å
594	Y	69.9	Low	71.2	Confident	77 Å²	77	44.7 Å²	44.7	30%	0.302	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-23.4	178.4	-64.3	-68.3	0	0	0	112.3	V156 S592 S600 L603	V156-Y594 WeakPolarHBondContact CG1-OH 3.49Å; V156-Y594 WeakPolarHBondContact CG2-OH 3.15Å; S592-Y594 PolarHBondContact O-N 3.04Å; Y594-S600 WeakPolarHBondContact CA-OG 3.43Å; Y594-S600 WeakPolarHBondContact CD1-OG 3.04Å; Y594-S600 CarbonylContact O-C 3.56Å; Y594-S600 VanDerWaalsContact O-C 3.26Å; Y594-S600 PolarHBondContact O-OG 3.49Å; Y594-L603 HydrophobicContact CD1-CD1 3.73Å; Y594-L603 HydrophobicContact CE1-CD1 4.49Å; Y594-L603 HydrophobicContact CG-CD1 4.1Å
595	T	73.2	Confident	69.7	Low	48 Å²	48	43.1 Å²	43.1	29%	0.294	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-11.7	-167.3	59.8	0	0	0	0	114.6	S592 A604 V606	S592-T595 PolarHBondContact O-N 2.65Å; S592-T595 VanDerWaalsContact O-N 3.12Å; T595-A604 VanDerWaalsContact CA-O 3.25Å; T595-A604 WeakPolarHBondContact CA-O 3.17Å; T595-A604 HydrophobicContact CG2-CB 3.99Å; T595-V606 PolarHBondContact O-N 3.37Å; T595-V606 VanDerWaalsContact O-N 3.16Å
596	G	71.5	Confident	68.5	Low	1 Å²	1	43.5 Å²	43.5	1%	0.01	24%	0.244	C	C	.	.	S	Bend	trans	-91.7	176.7	177.4	0	0	0	0	0	112.9	S592 G598 G599	S592-G596 WeakPolarHBondContact O-CA 3.38Å; S592-G596 PolarHBondContact O-N 2.77Å; G596-G598 PolarHBondContact O-N 2.97Å; G596-G599 WeakPolarHBondContact O-CA 3.2Å; G596-G599 PolarHBondContact O-N 3.04Å
597	P	68.4	Low	66.6	Low	11 Å²	11	46.2 Å²	46.2	7%	0.071	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-37.9	-168.3	-25	36.6	0	0	0	114.7	R535 G599 F608 V616 P618	R535-P597 PolarHBondContact NH2-O 3.49Å; P597-G599 VanDerWaalsContact C-N 3.3Å; P597-F608 HydrophobicContact CG-CD2 4.32Å; P597-F608 HydrophobicContact CG-CE2 3.73Å; P597-F608 HydrophobicContact CG-CZ 4.43Å; P597-V616 HydrophobicContact CB-CB 3.83Å; P597-V616 HydrophobicContact CB-CG1 3.91Å; P597-V616 HydrophobicContact CB-CG2 4.49Å; P597-V616 HydrophobicContact CG-CB 3.95Å; P597-V616 HydrophobicContact CG-CG1 4.23Å; P597-V616 HydrophobicContact CG-CG2 4.06Å; P597-P618 WeakPolarHBondContact O-CB 3.45Å
598	G	60.5	Low	65	Low	4 Å²	4	46.2 Å²	46.2	4%	0.041	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-0.4	174	0	0	0	0	0	114.1	Q541 G596 W620	Q541-G598 WeakPolarHBondContact CB-O 3.41Å; Q541-G598 PolarHBondContact N-O 2.97Å; Q541-G598 VanDerWaalsContact N-O 3.08Å; G596-G598 PolarHBondContact O-N 2.97Å; G598-W620 WeakPolarHBondContact CA-O 3.22Å
599	G	62.5	Low	63.5	Low	1 Å²	1	52.7 Å²	52.7	1%	0.01	28%	0.282	C	S	.	.	S	Bend	trans	-83.4	-175.6	179.6	0	0	0	0	0	113.9	N593 G596 P597 A601	N593-G599 WeakPolarHBondContact O-CA 3.27Å; G596-G599 WeakPolarHBondContact O-CA 3.2Å; G596-G599 PolarHBondContact O-N 3.04Å; P597-G599 VanDerWaalsContact C-N 3.3Å; G599-A601 PolarHBondContact O-N 2.92Å
600	S	55	Low	62.1	Low	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.308	C	S	.	.			trans	-72.2	67.7	169.7	66.4	0	0	0	0	110.1	G538 N593 Y594 R602 L603	G538-S600 WeakPolarHBondContact O-CB 3.25Å; N593-S600 PolarHBondContact O-N 3.41Å; Y594-S600 WeakPolarHBondContact CA-OG 3.43Å; Y594-S600 WeakPolarHBondContact CD1-OG 3.04Å; Y594-S600 CarbonylContact O-C 3.56Å; Y594-S600 VanDerWaalsContact O-C 3.26Å; Y594-S600 PolarHBondContact O-OG 3.49Å; S600-R602 PolarHBondContact O-N 3.41Å; S600-L603 PolarHBondContact O-N 3.04Å; S600-L603 VanDerWaalsContact OG-CD1 3.26Å; S600-L603 WeakPolarHBondContact OG-CD1 3.46Å; S600-L603 WeakPolarHBondContact OG-CG 3.43Å
601	A	54.1	Low	61	Low	28 Å²	28	54.4 Å²	54.4	23%	0.231	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-16.4	-173.5	0	0	0	0	0	114.9	G599 L603 A604	G599-A601 PolarHBondContact O-N 2.92Å; A601-L603 VanDerWaalsContact C-N 3.34Å; A601-A604 CarbonylContact O-C 3.48Å
602	R	55.1	Low	60.3	Low	133 Å²	133	52.1 Å²	52.1	50%	0.502	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-29.3	169.6	-130.5	-166.5	-158.4	-159.1	4.9	114.9	E470 R535 R536 S600	E470-R602 IonicContact OE1-CZ 2.82Å; E470-R602 IonicContact OE1-NH2 3.55Å; E470-R602 PolarHBondContact OE1-NH2 3.32Å; R535-R602 WeakPolarHBondContact O-CD 3.5Å; R536-R602 PolarHBondContact O-NH1 2.9Å; S600-R602 PolarHBondContact O-N 3.41Å
603	L	57.2	Low	59.8	Low	116 Å²	116	52 Å²	52	61%	0.607	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-48.3	179.9	-69.7	-176	0	0	0	110.9	Y594 S600 A601	Y594-L603 HydrophobicContact CD1-CD1 3.73Å; Y594-L603 HydrophobicContact CE1-CD1 4.49Å; Y594-L603 HydrophobicContact CG-CD1 4.1Å; S600-L603 PolarHBondContact O-N 3.04Å; S600-L603 VanDerWaalsContact OG-CD1 3.26Å; S600-L603 WeakPolarHBondContact OG-CD1 3.46Å; S600-L603 WeakPolarHBondContact OG-CG 3.43Å; A601-L603 VanDerWaalsContact C-N 3.34Å
604	A	56.4	Low	59.4	Low	46 Å²	46	52.9 Å²	52.9	38%	0.38	31%	0.309	S	S	.	.			trans	-160.7	151.2	163.6	0	0	0	0	0	108	T595 A601	T595-A604 VanDerWaalsContact CA-O 3.25Å; T595-A604 WeakPolarHBondContact CA-O 3.17Å; T595-A604 HydrophobicContact CG2-CB 3.99Å; A601-A604 CarbonylContact O-C 3.48Å
605	S	59.9	Low	59.6	Low	68 Å²	68	50.7 Å²	50.7	48%	0.476	30%	0.304	S	S	.	.			trans	-114.2	111.5	162.9	-173.7	0	0	0	0	106.3	S607	S605-S607 PolarHBondContact O-N 3.17Å; S605-S607 VanDerWaalsContact O-N 3.13Å
606	V	60.6	Low	60	Low	58 Å²	58	48.5 Å²	48.5	35%	0.352	29%	0.29	S	S	.	.			trans	-67.6	114.5	170.3	177.3	0	0	0	0	105.8	T595 F608 P629	T595-V606 PolarHBondContact O-N 3.37Å; T595-V606 VanDerWaalsContact O-N 3.16Å; V606-F608 WeakPolarHBondContact O-CD2 3.35Å; V606-F608 WeakPolarHBondContact O-CE2 3.25Å; V606-F608 PolarHBondContact O-N 2.94Å; V606-P629 HydrophobicContact CG1-CG 4.3Å
607	S	52.6	Low	60.8	Low	107 Å²	107	49.1 Å²	49.1	75%	0.748	29%	0.294	S	S	*	.			trans	-64.5	105.6	177.2	99.9	0	0	0	0	107.7	S605	S605-S607 PolarHBondContact O-N 3.17Å; S605-S607 VanDerWaalsContact O-N 3.13Å
608	F	54.9	Low	61.6	Low	19 Å²	19	48.9 Å²	48.9	8%	0.083	29%	0.292	C	S	.	.			trans	-71	131.6	169.4	-59.9	-79	0	0	0	107.5	P597 V606 G610 G611 I612 W627	P597-F608 HydrophobicContact CG-CD2 4.32Å; P597-F608 HydrophobicContact CG-CE2 3.73Å; P597-F608 HydrophobicContact CG-CZ 4.43Å; V606-F608 WeakPolarHBondContact O-CD2 3.35Å; V606-F608 WeakPolarHBondContact O-CE2 3.25Å; V606-F608 PolarHBondContact O-N 2.94Å; F608-G610 PolarHBondContact O-N 3.41Å; F608-G611 PolarHBondContact O-N 3.21Å; F608-I612 HydrophobicContact CB-CB 3.88Å; F608-I612 HydrophobicContact CB-CG2 4.21Å; F608-W627 HydrophobicContact CD1-CB 4.37Å; F608-W627 WeakPolarHBondContact CD1-O 3.24Å; F608-W627 WeakPolarHBondContact CE1-O 3.38Å
609	Y	50.6	Low	62.9	Low	201 Å²	201	49.7 Å²	49.7	79%	0.788	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-43.8	132.6	176.7	-79.2	-84.5	0	0	0	110.7	I612	Y609-I612 WeakPolarHBondContact O-CD1 3.3Å; Y609-I612 WeakPolarHBondContact O-CG1 3.17Å
610	G	53.2	Low	64.1	Low	84 Å²	84	52.2 Å²	52.2	87%	0.866	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	78.1	20.6	168.9	0	0	0	0	0	117.4	F608 I612	F608-G610 PolarHBondContact O-N 3.41Å; G610-I612 VanDerWaalsContact C-N 3.29Å; G610-I612 PolarHBondContact O-N 3.4Å
611	G	55.1	Low	65.7	Low	24 Å²	24	52.4 Å²	52.4	25%	0.247	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	74.6	21	174.6	0	0	0	0	0	113.9	F608 S613 D614	F608-G611 PolarHBondContact O-N 3.21Å; G611-S613 PolarHBondContact O-N 2.82Å; G611-D614 WeakPolarHBondContact O-CB 3.38Å; G611-D614 PolarHBondContact O-N 2.95Å
612	I	57.3	Low	67.3	Low	38 Å²	38	51.6 Å²	51.6	20%	0.195	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-67.2	-21.6	-176	-70.1	172.5	0	0	0	113.1	F608 Y609 G610 D614 V615 W627	F608-I612 HydrophobicContact CB-CB 3.88Å; F608-I612 HydrophobicContact CB-CG2 4.21Å; Y609-I612 WeakPolarHBondContact O-CD1 3.3Å; Y609-I612 WeakPolarHBondContact O-CG1 3.17Å; G610-I612 VanDerWaalsContact C-N 3.29Å; G610-I612 PolarHBondContact O-N 3.4Å; I612-D614 PolarHBondContact O-N 3.48Å; I612-V615 VanDerWaalsContact O-CB 3.31Å; I612-V615 WeakPolarHBondContact O-CB 3.14Å; I612-V615 PolarHBondContact O-N 3.43Å; I612-W627 HydrophobicContact CB-CG 4.47Å; I612-W627 HydrophobicContact CD1-CG 4.25Å; I612-W627 HydrophobicContact CG2-CB 3.54Å; I612-W627 HydrophobicContact CG2-CD2 3.35Å; I612-W627 HydrophobicContact CG2-CE3 3.96Å; I612-W627 HydrophobicContact CG2-CG 3.16Å
613	S	57.8	Low	68.8	Low	23 Å²	23	45.5 Å²	45.5	16%	0.161	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-48.5	-26.3	170.9	49	0	0	0	0	113.4	G611	G611-S613 PolarHBondContact O-N 2.82Å
614	D	62.3	Low	70.2	Confident	23 Å²	23	40.1 Å²	40.1	12%	0.123	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-88.2	-19.5	-175	-59.6	8.7	0	0	0	112.7	L476 K479 R517 G611 I612	L476-D614 HydrophobicContact CD1-CB 4.28Å; K479-D614 WeakPolarHBondContact CD-OD2 3.39Å; K479-D614 VanDerWaalsContact CE-OD2 3.32Å; K479-D614 WeakPolarHBondContact CE-OD2 3.47Å; K479-D614 VanDerWaalsContact NZ-CG 3.28Å; K479-D614 IonicContact NZ-OD1 2.77Å; K479-D614 IonicContact NZ-OD2 3.9Å; K479-D614 PolarHBondContact NZ-OD2 3.28Å; R517-D614 PolarHBondContact NH1-O 3Å; G611-D614 WeakPolarHBondContact O-CB 3.38Å; G611-D614 PolarHBondContact O-N 2.95Å; I612-D614 PolarHBondContact O-N 3.48Å
615	V	73.3	Confident	71.8	Confident	31 Å²	31	38.3 Å²	38.3	19%	0.188	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-48.1	-178.4	-179.9	0	0	0	0	109.5	R517 I612 N617 W627 I854	R517-V615 PolarHBondContact NH2-O 3.36Å; I612-V615 VanDerWaalsContact O-CB 3.31Å; I612-V615 WeakPolarHBondContact O-CB 3.14Å; I612-V615 PolarHBondContact O-N 3.43Å; V615-N617 PolarHBondContact O-N 2.8Å; V615-W627 HydrophobicContact CB-CH2 4.29Å; V615-W627 HydrophobicContact CB-CZ2 4.48Å; V615-W627 HydrophobicContact CG1-CH2 3.51Å; V615-W627 HydrophobicContact CG1-CZ2 3.75Å; V615-W627 HydrophobicContact CG1-CZ3 4.29Å; V615-I854 HydrophobicContact CG1-CB 4.31Å; V615-I854 HydrophobicContact CG1-CG2 3.11Å
616	V	82.2	Confident	73.2	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.018	21%	0.211	C	C	.	.	S	Bend	trans	-63.7	131.7	178	179.6	0	0	0	0	109.9	P597 P618 F622 T625 W627 Y819	P597-V616 HydrophobicContact CB-CB 3.83Å; P597-V616 HydrophobicContact CB-CG1 3.91Å; P597-V616 HydrophobicContact CB-CG2 4.49Å; P597-V616 HydrophobicContact CG-CB 3.95Å; P597-V616 HydrophobicContact CG-CG1 4.23Å; P597-V616 HydrophobicContact CG-CG2 4.06Å; V616-P618 WeakPolarHBondContact O-CD 3.24Å; V616-P618 VanDerWaalsContact O-N 3.15Å; V616-F622 HydrophobicContact CG1-CD2 3.62Å; V616-F622 HydrophobicContact CG1-CE2 3.66Å; V616-T625 HydrophobicContact CG1-CG2 4.25Å; V616-T625 HydrophobicContact CG2-CG2 4.06Å; V616-W627 HydrophobicContact CG2-CE3 3.55Å; V616-W627 HydrophobicContact CG2-CZ3 3.41Å; V616-W627 VanDerWaalsContact CG2-CZ3 3.41Å; V616-Y819 HydrophobicContact CG1-CE2 4.39Å
617	N	87	Confident	74.3	Confident	14 Å²	14	33.9 Å²	33.9	8%	0.075	20%	0.199	C	C	.	.			trans	-66.9	110	174.5	-175.6	-14	0	0	0	111.3	V615 L619 W620 F622 E827	V615-N617 PolarHBondContact O-N 2.8Å; N617-L619 PolarHBondContact O-N 2.89Å; N617-L619 VanDerWaalsContact O-N 3.15Å; N617-L619 VanDerWaalsContact OD1-CB 3.25Å; N617-L619 WeakPolarHBondContact OD1-CB 3.45Å; N617-L619 VanDerWaalsContact OD1-CG 3.27Å; N617-L619 WeakPolarHBondContact OD1-CG 2.86Å; N617-L619 PolarHBondContact OD1-N 2.89Å; N617-L619 VanDerWaalsContact OD1-N 3.08Å; N617-W620 PolarHBondContact O-N 2.98Å; N617-F622 HydrophobicContact CB-CE2 4.2Å; N617-F622 HydrophobicContact CB-CZ 4.16Å; N617-F622 VanDerWaalsContact O-CE2 3.25Å; N617-F622 WeakPolarHBondContact O-CE2 2.99Å; N617-E827 HydrophobicContact CB-CG 4.12Å; N617-E827 WeakPolarHBondContact CB-OE1 3.32Å
618	P	86.5	Confident	75.6	Confident	5 Å²	5	31.8 Å²	31.8	3%	0.032	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	1.5	-172.6	32.9	-32.7	0	0	0	113.4	Y518 L531 Q541 P597 V616 W620	Y518-P618 HydrophobicContact CE1-CG 4.44Å; Y518-P618 WeakPolarHBondContact OH-CG 3.38Å; L531-P618 VanDerWaalsContact CD1-O 3.24Å; L531-P618 WeakPolarHBondContact CD1-O 3.42Å; L531-P618 HydrophobicContact CD2-CB 4.2Å; L531-P618 HydrophobicContact CD2-CG 3.93Å; Q541-P618 WeakPolarHBondContact CG-O 3.22Å; P597-P618 WeakPolarHBondContact O-CB 3.45Å; V616-P618 WeakPolarHBondContact O-CD 3.24Å; V616-P618 VanDerWaalsContact O-N 3.15Å; P618-W620 PolarHBondContact O-N 2.92Å
619	L	87	Confident	76.7	Confident	21 Å²	21	34.6 Å²	34.6	11%	0.11	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-14.4	175.4	-61.1	177.9	0	0	0	112.7	T527 L531 Q541 N617	T527-L619 HydrophobicContact CG2-CD1 4.45Å; L531-L619 HydrophobicContact CB-CD2 4.03Å; L531-L619 HydrophobicContact CD2-CD2 4.03Å; Q541-L619 PolarHBondContact OE1-O 2.7Å; N617-L619 PolarHBondContact O-N 2.89Å; N617-L619 VanDerWaalsContact O-N 3.15Å; N617-L619 VanDerWaalsContact OD1-CB 3.25Å; N617-L619 WeakPolarHBondContact OD1-CB 3.45Å; N617-L619 VanDerWaalsContact OD1-CG 3.27Å; N617-L619 WeakPolarHBondContact OD1-CG 2.86Å; N617-L619 PolarHBondContact OD1-N 2.89Å; N617-L619 VanDerWaalsContact OD1-N 3.08Å
620	W	88.6	Confident	78.1	Confident	54 Å²	54	28.4 Å²	28.4	21%	0.205	18%	0.181	C	C	.	.	S	Bend	trans	-130.7	143.9	-177.2	-59.7	108.7	0	0	0	110.8	P218 P542 A544 P545 G598 N617 P618 F622	P218-W620 HydrophobicContact CG-CH2 3.91Å; P218-W620 HydrophobicContact CG-CZ3 3.73Å; P542-W620 HydrophobicContact CB-CE3 4.43Å; P542-W620 HydrophobicContact CB-CZ3 4.25Å; P542-W620 HydrophobicContact CG-CE3 3.93Å; P542-W620 HydrophobicContact CG-CZ3 3.86Å; A544-W620 HydrophobicContact CB-CB 3.89Å; A544-W620 HydrophobicContact CB-CG 4.43Å; P545-W620 HydrophobicContact CG-CE3 4.28Å; P545-W620 HydrophobicContact CG-CH2 3.75Å; P545-W620 HydrophobicContact CG-CZ2 4.15Å; P545-W620 HydrophobicContact CG-CZ3 3.79Å; G598-W620 WeakPolarHBondContact CA-O 3.22Å; N617-W620 PolarHBondContact O-N 2.98Å; P618-W620 PolarHBondContact O-N 2.92Å; W620-F622 HydrophobicContact CB-CE1 4.32Å; W620-F622 HydrophobicContact CB-CE2 4.17Å; W620-F622 HydrophobicContact CB-CZ 3.99Å
621	L	87.5	Confident	79.4	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.021	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-87	105.9	165.6	177.4	63.3	0	0	0	109	W154 P540 Q541 P542 P543 A544 Y590 N593	W154-L621 HydrophobicContact CZ2-CD2 4.46Å; P540-L621 HydrophobicContact CB-CD2 4.41Å; Q541-L621 HydrophobicContact CB-CB 4.5Å; Q541-L621 WeakPolarHBondContact O-CB 3.2Å; P542-L621 PolarHBondContact O-N 2.83Å; P543-L621 CarbonylContact C-O 3.51Å; P543-L621 WeakPolarHBondContact CA-O 3.32Å; A544-L621 PolarHBondContact N-O 2.99Å; Y590-L621 HydrophobicContact CD1-CD2 3.89Å; Y590-L621 HydrophobicContact CD1-CG 3.82Å; Y590-L621 HydrophobicContact CE1-CD2 4.22Å; Y590-L621 HydrophobicContact CE1-CG 3.98Å; N593-L621 HydrophobicContact CB-CD1 4.19Å; N593-L621 HydrophobicContact CB-CD2 3.92Å
622	F	88	Confident	80.8	Confident	11 Å²	11	30.4 Å²	30.4	5%	0.048	17%	0.17	C	C	.	.			trans	-77.9	148.6	176.9	-63.1	-78.1	0	0	0	111.6	A544 V616 N617 W620 S624 T625 Y819 F822	A544-F622 HydrophobicContact CB-CD1 3.47Å; A544-F622 VanDerWaalsContact CB-CD1 3.47Å; A544-F622 HydrophobicContact CB-CE1 3.68Å; A544-F622 HydrophobicContact CB-CG 4.27Å; V616-F622 HydrophobicContact CG1-CD2 3.62Å; V616-F622 HydrophobicContact CG1-CE2 3.66Å; N617-F622 HydrophobicContact CB-CE2 4.2Å; N617-F622 HydrophobicContact CB-CZ 4.16Å; N617-F622 VanDerWaalsContact O-CE2 3.25Å; N617-F622 WeakPolarHBondContact O-CE2 2.99Å; W620-F622 HydrophobicContact CB-CE1 4.32Å; W620-F622 HydrophobicContact CB-CE2 4.17Å; W620-F622 HydrophobicContact CB-CZ 3.99Å; F622-S624 PolarHBondContact O-N 3Å; F622-T625 HydrophobicContact CB-CG2 4.23Å; F622-Y819 HydrophobicContact CB-CD2 4.42Å; F622-Y819 AromaticContact CD1-CD2 3.88Å; F622-Y819 HydrophobicContact CD1-CD2 3.88Å; F622-Y819 HydrophobicContact CD1-CE2 4.01Å; F622-Y819 HydrophobicContact CD2-CD2 4.13Å; F622-Y819 AromaticContact CD2-CE2 3.81Å; F622-Y819 HydrophobicContact CD2-CE2 3.81Å; F622-Y819 HydrophobicContact CE1-CD2 4.16Å; F622-Y819 AromaticContact CE1-CE2 3.88Å; F622-Y819 HydrophobicContact CE1-CE2 3.88Å; F622-Y819 HydrophobicContact CE2-CD2 4.37Å; F622-Y819 AromaticContact CE2-CE2 3.64Å; F622-Y819 HydrophobicContact CE2-CE2 3.64Å; F622-Y819 AromaticContact CG-CD2 3.87Å; F622-Y819 HydrophobicContact CG-CD2 3.87Å; F622-Y819 AromaticContact CG-CE2 3.98Å; F622-Y819 HydrophobicContact CG-CE2 3.98Å; F622-Y819 HydrophobicContact CZ-CD2 4.39Å; F622-Y819 AromaticContact CZ-CE2 3.68Å; F622-Y819 HydrophobicContact CZ-CE2 3.68Å; F622-F822 HydrophobicContact CD1-CB 4Å; F622-F822 HydrophobicContact CD1-CD1 4.43Å; F622-F822 HydrophobicContact CD1-CD2 4.32Å; F622-F822 HydrophobicContact CD1-CG 4.03Å; F622-F822 HydrophobicContact CE1-CB 3.65Å; F622-F822 HydrophobicContact CE1-CG 4.12Å
623	P	87.4	Confident	82.1	Confident	5 Å²	5	32.5 Å²	32.5	3%	0.032	19%	0.189	C	C	.	.	S	Bend	trans	-57.6	-36.3	174.4	-23.1	32.1	0	0	0	113.1	S589 Y590 F822	S589-P623 CarbonylContact C-O 3.5Å; S589-P623 WeakPolarHBondContact CA-O 3.46Å; Y590-P623 HydrophobicContact CE1-CB 4.38Å; Y590-P623 HydrophobicContact CE1-CG 4.29Å; Y590-P623 HydrophobicContact CE2-CB 4.29Å; Y590-P623 HydrophobicContact CE2-CG 4.42Å; Y590-P623 PolarHBondContact N-O 2.98Å; P623-F822 HydrophobicContact CG-CE2 4.17Å; P623-F822 HydrophobicContact CG-CZ 3.9Å
624	S	87	Confident	83.5	Confident	4 Å²	4	36 Å²	36	3%	0.028	21%	0.205	C	C	.	.			trans	-162.4	162.1	178.9	54.4	0	0	0	0	108.4	F622 D749 H817	F622-S624 PolarHBondContact O-N 3Å; S624-D749 WeakPolarHBondContact CB-OD1 3.07Å; S624-D749 PolarHBondContact OG-OD1 2.91Å; S624-H817 PolarHBondContact OG-CE1 3.49Å; S624-H817 VanDerWaalsContact OG-CE1 3.32Å
625	T	88.3	Confident	84.5	Confident	8 Å²	8	35 Å²	35	5%	0.049	20%	0.201	C	C	.	.			trans	-135.9	150.7	177.3	62.4	0	0	0	0	110.9	V616 F622 W627 Y819	V616-T625 HydrophobicContact CG1-CG2 4.25Å; V616-T625 HydrophobicContact CG2-CG2 4.06Å; F622-T625 HydrophobicContact CB-CG2 4.23Å; T625-W627 PolarHBondContact O-N 3.48Å; T625-Y819 HydrophobicContact CG2-CD2 4.42Å
626	P	89.4	Confident	84.9	Confident	10 Å²	10	34.3 Å²	34.3	7%	0.065	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-16	-178.1	-23.3	30.9	0	0	0	116	R776 D777 H817 Y819 Y820	P626-R776 HydrophobicContact CB-CB 4.08Å; P626-D777 HydrophobicContact CB-CB 3.86Å; P626-H817 HydrophobicContact CB-CB 4.39Å; P626-H817 HydrophobicContact CG-CB 3.84Å; P626-Y819 HydrophobicContact CG-CD1 4.09Å; P626-Y819 HydrophobicContact CG-CG 4.48Å; P626-Y820 HydrophobicContact CG-CE2 3.97Å
627	W	85.2	Confident	85	Confident	23 Å²	23	39.6 Å²	39.6	9%	0.087	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	23.5	-165	-57.2	-73.1	0	0	0	113.6	F608 I612 V615 V616 T625 D777 Y819 I854 T855	F608-W627 HydrophobicContact CD1-CB 4.37Å; F608-W627 WeakPolarHBondContact CD1-O 3.24Å; F608-W627 WeakPolarHBondContact CE1-O 3.38Å; I612-W627 HydrophobicContact CB-CG 4.47Å; I612-W627 HydrophobicContact CD1-CG 4.25Å; I612-W627 HydrophobicContact CG2-CB 3.54Å; I612-W627 HydrophobicContact CG2-CD2 3.35Å; I612-W627 HydrophobicContact CG2-CE3 3.96Å; I612-W627 HydrophobicContact CG2-CG 3.16Å; V615-W627 HydrophobicContact CB-CH2 4.29Å; V615-W627 HydrophobicContact CB-CZ2 4.48Å; V615-W627 HydrophobicContact CG1-CH2 3.51Å; V615-W627 HydrophobicContact CG1-CZ2 3.75Å; V615-W627 HydrophobicContact CG1-CZ3 4.29Å; V616-W627 HydrophobicContact CG2-CE3 3.55Å; V616-W627 HydrophobicContact CG2-CZ3 3.41Å; V616-W627 VanDerWaalsContact CG2-CZ3 3.41Å; T625-W627 PolarHBondContact O-N 3.48Å; W627-D777 HydrophobicContact CZ2-CB 4.4Å; W627-D777 VanDerWaalsContact NE1-CB 3.32Å; W627-D777 PolarHBondContact NE1-OD2 3.16Å; W627-Y819 HydrophobicContact CH2-CD1 4.19Å; W627-Y819 AromaticContact CH2-CE1 3.76Å; W627-Y819 HydrophobicContact CH2-CE1 3.76Å; W627-Y819 HydrophobicContact CZ3-CD1 4.04Å; W627-Y819 AromaticContact CZ3-CE1 3.74Å; W627-Y819 HydrophobicContact CZ3-CE1 3.74Å; W627-I854 HydrophobicContact CH2-CG2 3.98Å; W627-I854 HydrophobicContact CZ2-CG2 4.26Å; W627-T855 HydrophobicContact CZ2-CG2 3.98Å
628	E	78.9	Confident	84.7	Confident	62 Å²	62	41.4 Å²	41.4	29%	0.29	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-59	134.7	175.6	-73.4	174.3	-174	0	0	111.2
629	P	78.4	Confident	83.8	Confident	79 Å²	79	45.8 Å²	45.8	51%	0.513	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-66.3	129.9	-178	27.7	-34.7	0	0	0	110	V606	V606-P629 HydrophobicContact CG1-CG 4.3Å
630	P	79	Confident	82.7	Confident	70 Å²	70	55.7 Å²	55.7	46%	0.455	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-71	144.9	177.7	29.6	-34.2	0	0	0	110.9
631	L	81	Confident	81.2	Confident	71 Å²	71	54.1 Å²	54.1	37%	0.372	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-72.8	152.1	166.2	-70.7	175.7	0	0	0	110.2	A635 L647 M668	L631-A635 HydrophobicContact CB-CB 3.78Å; L631-A635 HydrophobicContact CD1-CB 4.19Å; L631-L647 HydrophobicContact CD1-CD1 4.5Å; L631-M668 WeakPolarHBondContact O-CE 3.16Å
632	P	84.9	Confident	80.2	Confident	79 Å²	79	56.8 Å²	56.8	51%	0.513	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-67.5	161	175.6	31.5	-37.4	0	0	0	112	D634 A635	P632-D634 VanDerWaalsContact C-N 3.25Å; P632-D634 WeakPolarHBondContact CB-OD1 3.05Å; P632-D634 VanDerWaalsContact CG-OD1 3.23Å; P632-D634 WeakPolarHBondContact CG-OD1 3.42Å; P632-D634 PolarHBondContact O-N 2.82Å; P632-A635 WeakPolarHBondContact O-CB 3.15Å; P632-A635 PolarHBondContact O-N 3.05Å
633	S	84.8	Confident	79.5	Confident	83 Å²	83	58.8 Å²	58.8	58%	0.58	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-65.9	-25	-170.7	54.6	0	0	0	0	114.4	A635	S633-A635 VanDerWaalsContact C-N 3.28Å
634	D	86.1	Confident	78.7	Confident	95 Å²	95	60.6 Å²	60.6	51%	0.508	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-73.3	-18.3	174.9	59.8	-27.9	0	0	0	112.9	P632 A636 F637 V638	P632-D634 VanDerWaalsContact C-N 3.25Å; P632-D634 WeakPolarHBondContact CB-OD1 3.05Å; P632-D634 VanDerWaalsContact CG-OD1 3.23Å; P632-D634 WeakPolarHBondContact CG-OD1 3.42Å; P632-D634 PolarHBondContact O-N 2.82Å; D634-A636 PolarHBondContact O-N 2.81Å; D634-A636 VanDerWaalsContact O-N 3.1Å; D634-F637 PolarHBondContact O-N 3.44Å; D634-V638 WeakPolarHBondContact O-CG2 3.43Å; D634-V638 PolarHBondContact O-N 3.03Å
635	A	84.6	Confident	78.1	Confident	4 Å²	4	62.8 Å²	62.8	3%	0.033	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-54	-34	-179.4	0	0	0	0	0	113.5	L631 P632 S633 F637 T643 N644 L647	L631-A635 HydrophobicContact CB-CB 3.78Å; L631-A635 HydrophobicContact CD1-CB 4.19Å; P632-A635 WeakPolarHBondContact O-CB 3.15Å; P632-A635 PolarHBondContact O-N 3.05Å; S633-A635 VanDerWaalsContact C-N 3.28Å; A635-F637 PolarHBondContact O-N 3.08Å; A635-T643 CarbonylContact O-C 3.58Å; A635-T643 PolarHBondContact O-OG1 3.18Å; A635-N644 WeakPolarHBondContact O-CA 3.41Å; A635-N644 WeakPolarHBondContact O-CB 3.26Å; A635-N644 PolarHBondContact O-N 3.25Å; A635-L647 HydrophobicContact CB-CD1 3.95Å
636	A	81.8	Confident	77.6	Confident	16 Å²	16	62.7 Å²	62.7	13%	0.132	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-70.4	-16.6	178.2	0	0	0	0	0	113.7	D634 L647 P649	D634-A636 PolarHBondContact O-N 2.81Å; D634-A636 VanDerWaalsContact O-N 3.1Å; A636-L647 HydrophobicContact CB-CB 3.89Å; A636-L647 HydrophobicContact CB-CD1 3.81Å; A636-L647 HydrophobicContact CB-CG 4.46Å; A636-P649 HydrophobicContact CB-CB 3.95Å; A636-P649 HydrophobicContact CB-CG 4.45Å
637	F	83.7	Confident	77.3	Confident	114 Å²	114	62.6 Å²	62.6	50%	0.5	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-113.9	-1.4	-172.7	-56.5	-84.1	0	0	0	113.3	D634 A635 P639 P649 N651	D634-F637 PolarHBondContact O-N 3.44Å; A635-F637 PolarHBondContact O-N 3.08Å; F637-P639 VanDerWaalsContact O-CD 3.24Å; F637-P639 WeakPolarHBondContact O-CD 3.26Å; F637-P649 HydrophobicContact CD1-CB 4.04Å; F637-P649 HydrophobicContact CE1-CB 3.45Å; F637-P649 VanDerWaalsContact CE1-CB 3.45Å; F637-P649 HydrophobicContact CE1-CG 4.42Å; F637-P649 HydrophobicContact CE2-CB 4.3Å; F637-P649 HydrophobicContact CZ-CB 3.6Å; F637-N651 WeakPolarHBondContact CE1-OD1 3.41Å
638	V	79.8	Confident	77.1	Confident	51 Å²	51	62.3 Å²	62.3	31%	0.309	35%	0.349	S	S	.	.			trans	-76	114.6	178.1	-172.7	0	0	0	0	109.2	D634 N644	D634-V638 WeakPolarHBondContact O-CG2 3.43Å; D634-V638 PolarHBondContact O-N 3.03Å; V638-N644 PolarHBondContact O-ND2 3.36Å
639	P	68.8	Low	77.2	Confident	98 Å²	98	61.5 Å²	61.5	64%	0.636	35%	0.349	S	S	*	.	S	Bend	trans	-75.6	-27	-175	28	-32.7	0	0	0	113.3	F637	F637-P639 VanDerWaalsContact O-CD 3.24Å; F637-P639 WeakPolarHBondContact O-CD 3.26Å
640	Y	62.9	Low	77.3	Confident	228 Å²	228	58.3 Å²	58.3	89%	0.894	33%	0.328	S	S	*	.	S	Bend	trans	-100.1	-4.8	-176.3	-54.1	-67.9	0	0	0	113.9
641	G	58.5	Low	77.2	Confident	21 Å²	21	59.6 Å²	59.6	22%	0.216	33%	0.331	C	S	.	.	S	Bend	trans	-96.7	138.2	-178	0	0	0	0	0	110.7	T643 N644	G641-T643 PolarHBondContact O-N 3.3Å; G641-N644 PolarHBondContact O-OD1 2.83Å
642	S	66.7	Low	76.8	Confident	61 Å²	61	61.8 Å²	61.8	43%	0.427	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-63.9	-4.3	165.9	51.9	0	0	0	0	113.2	V149 N644 H645	V149-S642 VanDerWaalsContact CG2-CB 3.49Å; S642-N644 VanDerWaalsContact C-N 3.27Å; S642-N644 PolarHBondContact O-N 3.18Å; S642-H645 WeakPolarHBondContact CA-CD2 3.28Å; S642-H645 WeakPolarHBondContact O-CB 3.42Å; S642-H645 PolarHBondContact O-CD2 3.43Å; S642-H645 PolarHBondContact O-N 3.39Å
643	T	72.3	Confident	75.9	Confident	52 Å²	52	63.2 Å²	63.2	32%	0.319	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-69.1	-23	179.9	56.8	0	0	0	0	113.4	A635 G641 H645 L647	A635-T643 CarbonylContact O-C 3.58Å; A635-T643 PolarHBondContact O-OG1 3.18Å; G641-T643 PolarHBondContact O-N 3.3Å; T643-H645 VanDerWaalsContact C-N 3.28Å; T643-L647 WeakPolarHBondContact O-CD1 3.33Å
644	N	70.9	Confident	74.6	Confident	43 Å²	43	63.8 Å²	63.8	23%	0.23	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-79.1	-11.3	178.5	70	8.4	0	0	0	112.9	A635 V638 G641 S642 G646 L647	A635-N644 WeakPolarHBondContact O-CA 3.41Å; A635-N644 WeakPolarHBondContact O-CB 3.26Å; A635-N644 PolarHBondContact O-N 3.25Å; V638-N644 PolarHBondContact O-ND2 3.36Å; G641-N644 PolarHBondContact O-OD1 2.83Å; S642-N644 VanDerWaalsContact C-N 3.27Å; S642-N644 PolarHBondContact O-N 3.18Å; N644-G646 PolarHBondContact O-N 3.36Å; N644-L647 WeakPolarHBondContact O-CB 3.23Å; N644-L647 PolarHBondContact O-N 2.8Å
645	H	74.1	Confident	73.1	Confident	50 Å²	50	65.6 Å²	65.6	23%	0.231	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	129.8	-175.2	-76.2	-59.8	0	0	0	111.9	D142 S642 T643 L647	D142-H645 IonicContact OD1-ND1 3.76Å; S642-H645 WeakPolarHBondContact CA-CD2 3.28Å; S642-H645 WeakPolarHBondContact O-CB 3.42Å; S642-H645 PolarHBondContact O-CD2 3.43Å; S642-H645 PolarHBondContact O-N 3.39Å; T643-H645 VanDerWaalsContact C-N 3.28Å; H645-L647 PolarHBondContact O-N 3.06Å
646	G	77.5	Confident	71.9	Confident	7 Å²	7	68.5 Å²	68.5	7%	0.072	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	-16.1	-176.4	0	0	0	0	0	114.9	D142 N644 Y671	D142-G646 PolarHBondContact OD2-N 3.5Å; N644-G646 PolarHBondContact O-N 3.36Å; G646-Y671 WeakPolarHBondContact O-CB 3.25Å; G646-Y671 PolarHBondContact O-N 3.24Å
647	L	83.7	Confident	71.1	Confident	7 Å²	7	68.9 Å²	68.9	4%	0.037	37%	0.37	C	S	.	.			trans	-69.9	143.1	175.2	-63.8	177.7	0	0	0	110.2	L631 A635 A636 T643 N644 H645 P649 P670	L631-L647 HydrophobicContact CD1-CD1 4.5Å; A635-L647 HydrophobicContact CB-CD1 3.95Å; A636-L647 HydrophobicContact CB-CB 3.89Å; A636-L647 HydrophobicContact CB-CD1 3.81Å; A636-L647 HydrophobicContact CB-CG 4.46Å; T643-L647 WeakPolarHBondContact O-CD1 3.33Å; N644-L647 WeakPolarHBondContact O-CB 3.23Å; N644-L647 PolarHBondContact O-N 2.8Å; H645-L647 PolarHBondContact O-N 3.06Å; L647-P649 WeakPolarHBondContact O-CD 3.09Å; L647-P670 HydrophobicContact CD2-CG 4.21Å
648	R	81.5	Confident	70.8	Confident	18 Å²	18	63.7 Å²	63.7	7%	0.068	35%	0.348	C	S	.	.			trans	-120	82	-179.1	-57.2	-60	-175.1	130.9	-2.5	108.9	S135 Q138 N664 Y671	S135-R648 PolarHBondContact O-NH2 3.15Å; Q138-R648 VanDerWaalsContact CG-CZ 3.44Å; R648-N664 HydrophobicContact CB-CB 4.39Å; R648-Y671 HydrophobicContact CG-CD2 4.29Å
649	P	80.2	Confident	70.6	Confident	44 Å²	44	63.9 Å²	63.9	29%	0.286	34%	0.344	S	S	.	.			trans	-62	148.4	-174.7	22.7	-31.7	0	0	0	112.4	A636 F637 L647	A636-P649 HydrophobicContact CB-CB 3.95Å; A636-P649 HydrophobicContact CB-CG 4.45Å; F637-P649 HydrophobicContact CD1-CB 4.04Å; F637-P649 HydrophobicContact CE1-CB 3.45Å; F637-P649 VanDerWaalsContact CE1-CB 3.45Å; F637-P649 HydrophobicContact CE1-CG 4.42Å; F637-P649 HydrophobicContact CE2-CB 4.3Å; F637-P649 HydrophobicContact CZ-CB 3.6Å; L647-P649 WeakPolarHBondContact O-CD 3.09Å
650	I	81.3	Confident	71.1	Confident	13 Å²	13	60.1 Å²	60.1	7%	0.067	32%	0.318	C	S	.	.			trans	-102	109.6	170.5	-57.2	-62.6	0	0	0	106.2	H652 E660 F661 N664	I650-H652 VanDerWaalsContact C-N 3.34Å; I650-H652 VanDerWaalsContact CG2-CE1 3.43Å; I650-H652 WeakPolarHBondContact CG2-CE1 3.48Å; I650-E660 HydrophobicContact CD1-CB 4.06Å; I650-E660 HydrophobicContact CG2-CB 3.8Å; I650-E660 WeakPolarHBondContact CG2-OE2 3.44Å; I650-F661 HydrophobicContact CB-CZ 4.42Å; I650-F661 HydrophobicContact CD1-CD1 4.17Å; I650-F661 HydrophobicContact CD1-CE1 4.39Å; I650-F661 HydrophobicContact CD1-CG 4.38Å; I650-F661 HydrophobicContact CG1-CD1 4.09Å; I650-F661 HydrophobicContact CG1-CE1 3.81Å; I650-F661 HydrophobicContact CG1-CE2 4.31Å; I650-F661 HydrophobicContact CG1-CG 4.46Å; I650-F661 HydrophobicContact CG1-CZ 3.91Å; I650-F661 HydrophobicContact CG2-CD2 4.22Å; I650-F661 HydrophobicContact CG2-CE2 3.96Å; I650-F661 HydrophobicContact CG2-CZ 4.33Å; I650-N664 HydrophobicContact CD1-CB 3.92Å
651	N	75.6	Confident	72	Confident	96 Å²	96	52 Å²	52	51%	0.513	29%	0.287	S	S	.	.			trans	-82.6	-13.4	-172.4	-70.7	-21.9	0	0	0	113	F637 T653 E660	F637-N651 WeakPolarHBondContact CE1-OD1 3.41Å; N651-T653 HydrophobicContact CB-CG2 3.88Å; N651-T653 PolarHBondContact O-N 2.94Å; N651-E660 PolarHBondContact N-OE2 2.73Å
652	H	72.4	Confident	73	Confident	117 Å²	117	51.1 Å²	51.1	54%	0.542	28%	0.278	S	S	.	.			trans	56.4	26.9	-177.7	-55.3	-61.1	0	0	0	114.2	I650 A657 E660	I650-H652 VanDerWaalsContact C-N 3.34Å; I650-H652 VanDerWaalsContact CG2-CE1 3.43Å; I650-H652 WeakPolarHBondContact CG2-CE1 3.48Å; H652-A657 WeakPolarHBondContact ND1-CB 3.06Å; H652-E660 WeakPolarHBondContact CA-OE1 3.49Å; H652-E660 VanDerWaalsContact N-CD 3.33Å; H652-E660 PolarHBondContact N-OE1 2.87Å; H652-E660 VanDerWaalsContact N-OE1 3.15Å; H652-E660 PolarHBondContact N-OE2 3.25Å
653	T	65.9	Low	73.5	Confident	110 Å²	110	49.1 Å²	49.1	68%	0.675	26%	0.262	S	S	*	.			trans	-87.3	-27.8	-171.2	50.8	0	0	0	0	113.8	N651 E660	N651-T653 HydrophobicContact CB-CG2 3.88Å; N651-T653 PolarHBondContact O-N 2.94Å; T653-E660 PolarHBondContact N-OE1 3.16Å
654	I	58.2	Low	74	Confident	95 Å²	95	48.9 Å²	48.9	49%	0.487	26%	0.258	S	S	.	.	S	Bend	trans	-109.1	122.3	-176	-61	168.4	0	0	0	109.4	L656 Y659 E660	I654-L656 CarbonylContact O-C 3.58Å; I654-L656 WeakPolarHBondContact O-CA 3.3Å; I654-L656 PolarHBondContact O-N 3.25Å; I654-L656 VanDerWaalsContact O-O 3.05Å; I654-Y659 HydrophobicContact CG2-CD1 4.5Å; I654-E660 PolarHBondContact N-OE1 2.95Å
655	N	54.9	Low	74.5	Confident	133 Å²	133	47 Å²	47	71%	0.711	25%	0.248	S	C	*	.	S	Bend	trans	16.9	54.6	167.4	-75.6	-22.9	0	0	0	117.4
656	L	60.3	Low	74.8	Confident	64 Å²	64	44.8 Å²	44.8	34%	0.335	24%	0.239	S	C	.	.			trans	84.2	147.5	-174.6	-60.2	179.4	0	0	0	119.1	I654 G658 Y659 K923	I654-L656 CarbonylContact O-C 3.58Å; I654-L656 WeakPolarHBondContact O-CA 3.3Å; I654-L656 PolarHBondContact O-N 3.25Å; I654-L656 VanDerWaalsContact O-O 3.05Å; L656-G658 PolarHBondContact O-N 3.4Å; L656-Y659 PolarHBondContact O-N 3.46Å; L656-K923 HydrophobicContact CD1-CB 3.36Å; L656-K923 HydrophobicContact CD1-CD 3.13Å; L656-K923 HydrophobicContact CD1-CG 3.76Å; L656-K923 HydrophobicContact CD2-CD 3.67Å; L656-K923 HydrophobicContact CG-CB 4.39Å; L656-K923 HydrophobicContact CG-CD 3.23Å; L656-K923 HydrophobicContact CG-CG 4.37Å
657	A	64.6	Low	74.9	Confident	25 Å²	25	46.5 Å²	46.5	21%	0.207	26%	0.257	C	S	.	.	H	α-helix	trans	-44.2	-33.7	165.6	0	0	0	0	0	115.4	H652 Y659 E660 F661	H652-A657 WeakPolarHBondContact ND1-CB 3.06Å; A657-Y659 PolarHBondContact O-N 2.75Å; A657-E660 PolarHBondContact O-N 2.89Å; A657-E660 VanDerWaalsContact O-N 3.15Å; A657-F661 HydrophobicContact CB-CD2 3.85Å; A657-F661 HydrophobicContact CB-CE2 3.91Å; A657-F661 WeakPolarHBondContact O-CB 3.22Å; A657-F661 WeakPolarHBondContact O-CD2 3.4Å; A657-F661 PolarHBondContact O-N 2.88Å
658	G	76.1	Confident	74.7	Confident	5 Å²	5	50.2 Å²	50.2	5%	0.052	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-43	-174.6	0	0	0	0	0	113.4	L656 F661 N662	L656-G658 PolarHBondContact O-N 3.4Å; G658-F661 PolarHBondContact O-N 3.48Å; G658-N662 PolarHBondContact O-N 2.65Å; G658-N662 PolarHBondContact O-ND2 2.67Å; G658-N662 PolarHBondContact O-OD1 3.46Å
659	Y	75.6	Confident	74.8	Confident	55 Å²	55	51.9 Å²	51.9	22%	0.216	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-44.5	175.4	174.9	-96.5	0	0	0	111.6	I127 I654 L656 A657 F661 N662 M663	I127-Y659 HydrophobicContact CD1-CE2 4.27Å; I127-Y659 HydrophobicContact CG2-CE2 3.99Å; I127-Y659 WeakPolarHBondContact CG2-OH 3.17Å; I654-Y659 HydrophobicContact CG2-CD1 4.5Å; L656-Y659 PolarHBondContact O-N 3.46Å; A657-Y659 PolarHBondContact O-N 2.75Å; Y659-F661 PolarHBondContact O-N 2.84Å; Y659-N662 WeakPolarHBondContact O-CB 3.23Å; Y659-N662 PolarHBondContact O-N 2.87Å; Y659-M663 HydrophobicContact CD1-CG 4.34Å; Y659-M663 HydrophobicContact CE1-CG 3.98Å; Y659-M663 HydrophobicContact CE2-CG 4.34Å; Y659-M663 WeakPolarHBondContact O-CG 3.34Å; Y659-M663 PolarHBondContact O-N 3.46Å; Y659-M663 VanDerWaalsContact O-N 3.12Å
660	E	79.1	Confident	75	Confident	18 Å²	18	52.8 Å²	52.8	8%	0.084	29%	0.287	C	S	.	.	H	α-helix	trans	-66.1	-38.7	179	-66	179	-158.1	0	0	112.2	I650 N651 H652 T653 I654 A657 N662 M663 N664	I650-E660 HydrophobicContact CD1-CB 4.06Å; I650-E660 HydrophobicContact CG2-CB 3.8Å; I650-E660 WeakPolarHBondContact CG2-OE2 3.44Å; N651-E660 PolarHBondContact N-OE2 2.73Å; H652-E660 WeakPolarHBondContact CA-OE1 3.49Å; H652-E660 VanDerWaalsContact N-CD 3.33Å; H652-E660 PolarHBondContact N-OE1 2.87Å; H652-E660 VanDerWaalsContact N-OE1 3.15Å; H652-E660 PolarHBondContact N-OE2 3.25Å; T653-E660 PolarHBondContact N-OE1 3.16Å; I654-E660 PolarHBondContact N-OE1 2.95Å; A657-E660 PolarHBondContact O-N 2.89Å; A657-E660 VanDerWaalsContact O-N 3.15Å; E660-N662 PolarHBondContact O-N 3.08Å; E660-M663 CarbonylContact O-C 3.27Å; E660-M663 PolarHBondContact O-N 3.19Å; E660-N664 PolarHBondContact O-N 3.4Å
661	F	82.6	Confident	75.2	Confident	58 Å²	58	52.6 Å²	52.6	25%	0.254	29%	0.286	S	S	.	.	H	α-helix	trans	-68.6	-19.5	171.7	-82.8	-69.4	0	0	0	113	I650 A657 G658 Y659 M663 N664 R770 C926	I650-F661 HydrophobicContact CB-CZ 4.42Å; I650-F661 HydrophobicContact CD1-CD1 4.17Å; I650-F661 HydrophobicContact CD1-CE1 4.39Å; I650-F661 HydrophobicContact CD1-CG 4.38Å; I650-F661 HydrophobicContact CG1-CD1 4.09Å; I650-F661 HydrophobicContact CG1-CE1 3.81Å; I650-F661 HydrophobicContact CG1-CE2 4.31Å; I650-F661 HydrophobicContact CG1-CG 4.46Å; I650-F661 HydrophobicContact CG1-CZ 3.91Å; I650-F661 HydrophobicContact CG2-CD2 4.22Å; I650-F661 HydrophobicContact CG2-CE2 3.96Å; I650-F661 HydrophobicContact CG2-CZ 4.33Å; A657-F661 HydrophobicContact CB-CD2 3.85Å; A657-F661 HydrophobicContact CB-CE2 3.91Å; A657-F661 WeakPolarHBondContact O-CB 3.22Å; A657-F661 WeakPolarHBondContact O-CD2 3.4Å; A657-F661 PolarHBondContact O-N 2.88Å; G658-F661 PolarHBondContact O-N 3.48Å; Y659-F661 PolarHBondContact O-N 2.84Å; F661-M663 VanDerWaalsContact C-N 3.33Å; F661-N664 CarbonylContact C-O 3.59Å; F661-R770 VanDerWaalsContact O-CZ 3.25Å; F661-R770 PolarHBondContact O-NH1 3.18Å; F661-R770 PolarHBondContact O-NH2 3.22Å; F661-C926 HydrophobicContact CB-CB 4.28Å
662	N	79.6	Confident	75.9	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-78.7	-24.7	169.9	-69.2	-8.8	0	0	0	111.3	F577 L578 G579 G658 Y659 E660 Q924 K925 C926	F577-N662 CarbonylContact C-O 3.5Å; F577-N662 VanDerWaalsContact C-O 3.27Å; F577-N662 HydrophobicContact CB-CB 4.09Å; F577-N662 HydrophobicContact CD1-CB 4.46Å; F577-N662 VanDerWaalsContact O-CA 3.25Å; F577-N662 WeakPolarHBondContact O-CA 3.39Å; F577-N662 WeakPolarHBondContact O-CB 3.46Å; L578-N662 CarbonylContact C-O 3.59Å; L578-N662 PolarHBondContact N-O 3.28Å; G579-N662 WeakPolarHBondContact CA-O 3.41Å; G579-N662 PolarHBondContact N-O 2.88Å; G658-N662 PolarHBondContact O-N 2.65Å; G658-N662 PolarHBondContact O-ND2 2.67Å; G658-N662 PolarHBondContact O-OD1 3.46Å; Y659-N662 WeakPolarHBondContact O-CB 3.23Å; Y659-N662 PolarHBondContact O-N 2.87Å; E660-N662 PolarHBondContact O-N 3.08Å; N662-Q924 PolarHBondContact ND2-NE2 3.13Å; N662-Q924 VanDerWaalsContact ND2-NE2 3.12Å; N662-K925 PolarHBondContact ND2-O 3.44Å; N662-K925 PolarHBondContact OD1-O 2.83Å; N662-C926 WeakPolarHBondContact OD1-CA 3.43Å; N662-C926 PolarHBondContact OD1-O 3.19Å
663	M	77.6	Confident	77	Confident	19 Å²	19	43.2 Å²	43.2	9%	0.094	24%	0.239	C	C	.	.	H	α-helix	trans	-95.6	-27.7	-175.3	-66.6	-69.5	-81.3	0	0	112.8	I127 A131 P580 Y659 E660 F661	I127-M663 HydrophobicContact CG2-CE 3.54Å; I127-M663 HydrophobicContact CG2-SD 3.28Å; I127-M663 WeakPolarHBondContact CG2-SD 3.23Å; I127-M663 WeakPolarHBondContact O-CE 3.19Å; A131-M663 HydrophobicContact CB-CE 3.54Å; A131-M663 HydrophobicContact CB-SD 3.88Å; P580-M663 WeakPolarHBondContact CD-O 2.92Å; Y659-M663 HydrophobicContact CD1-CG 4.34Å; Y659-M663 HydrophobicContact CE1-CG 3.98Å; Y659-M663 HydrophobicContact CE2-CG 4.34Å; Y659-M663 WeakPolarHBondContact O-CG 3.34Å; Y659-M663 PolarHBondContact O-N 3.46Å; Y659-M663 VanDerWaalsContact O-N 3.12Å; E660-M663 CarbonylContact O-C 3.27Å; E660-M663 PolarHBondContact O-N 3.19Å; F661-M663 VanDerWaalsContact C-N 3.33Å
664	N	81.5	Confident	78.6	Confident	46 Å²	46	38 Å²	38	25%	0.246	21%	0.207	C	C	.	.	S	Bend	trans	-132.9	151.3	-178.8	-76.9	-57.4	0	0	0	110.8	R648 I650 E660 F661 G666 R770	R648-N664 HydrophobicContact CB-CB 4.39Å; I650-N664 HydrophobicContact CD1-CB 3.92Å; E660-N664 PolarHBondContact O-N 3.4Å; F661-N664 CarbonylContact C-O 3.59Å; N664-G666 PolarHBondContact O-N 3.41Å; N664-R770 PolarHBondContact O-NH2 3.42Å
665	L	82.4	Confident	80.5	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.026	18%	0.184	C	C	.	.			trans	-65.5	-31.1	178.4	-166	62.8	0	0	0	111.5	Y699 F769 R770	L665-Y699 WeakPolarHBondContact CA-OH 3.14Å; L665-Y699 HydrophobicContact CB-CE1 3.81Å; L665-Y699 HydrophobicContact CD1-CD1 4.41Å; L665-Y699 HydrophobicContact CD1-CD2 4.05Å; L665-Y699 HydrophobicContact CD1-CE1 4.09Å; L665-Y699 HydrophobicContact CD1-CE2 3.69Å; L665-Y699 HydrophobicContact CD1-CG 4.38Å; L665-Y699 HydrophobicContact CD2-CD1 4.34Å; L665-Y699 HydrophobicContact CD2-CE1 4.31Å; L665-Y699 HydrophobicContact CG-CE1 4.28Å; L665-Y699 PolarHBondContact N-OH 3.17Å; L665-F769 HydrophobicContact CD1-CD1 3.98Å; L665-F769 HydrophobicContact CD1-CE1 3.97Å; L665-F769 HydrophobicContact CD2-CE1 3.83Å; L665-R770 HydrophobicContact CD1-CG 3.85Å
666	G	80.7	Confident	82.6	Confident	3 Å²	3	27.1 Å²	27.1	3%	0.031	15%	0.15	C	C	.	.			trans	62.9	-163.8	179.2	0	0	0	0	0	113.5	N664 R773	N664-G666 PolarHBondContact O-N 3.41Å; G666-R773 PolarHBondContact O-NH1 3.25Å
667	G	78.9	Confident	84.4	Confident	43 Å²	43	24.1 Å²	24.1	44%	0.443	13%	0.134	S	C	.	.	S	Bend	trans	83	-175.4	176.7	0	0	0	0	0	114.4	Y669	G667-Y669 VanDerWaalsContact C-N 3.34Å
668	M	79.6	Confident	86	Confident	85 Å²	85	23 Å²	23	42%	0.419	13%	0.125	S	C	.	.	S	Bend	trans	-92.9	8.3	-176.5	-63.6	174.3	59.8	0	0	113.4	L631	L631-M668 WeakPolarHBondContact O-CE 3.16Å
669	Y	84.2	Confident	87	Confident	53 Å²	53	23.5 Å²	23.5	21%	0.208	13%	0.126	C	C	.	.	S	Bend	trans	-111	145.7	-179.3	-60.1	-82.7	0	0	0	110.2	G667 R773	G667-Y669 VanDerWaalsContact C-N 3.34Å; Y669-R773 VanDerWaalsContact C-NH2 3.34Å; Y669-R773 VanDerWaalsContact CB-NH2 3.33Å; Y669-R773 HydrophobicContact CD2-CB 4.37Å; Y669-R773 WeakPolarHBondContact CE2-O 3.43Å; Y669-R773 VanDerWaalsContact CZ-O 3.25Å; Y669-R773 PolarHBondContact O-NH2 3.23Å
670	P	83.6	Confident	87.9	Confident	63 Å²	63	21 Å²	21	41%	0.409	12%	0.116	S	C	.	.			trans	-54.8	155.7	172.8	-25.8	35.4	0	0	0	112.3	L647 E672 R773	L647-P670 HydrophobicContact CD2-CG 4.21Å; P670-E672 PolarHBondContact O-N 3.04Å; P670-R773 PolarHBondContact O-NH2 3.4Å
671	Y	86.5	Confident	88.5	Confident	9 Å²	9	25 Å²	25	4%	0.035	13%	0.131	C	C	.	.			trans	-55.1	127.8	169.2	-179.3	-85.8	0	0	0	109	P580 Q585 G646 R648 Q673 Y699	P580-Y671 HydrophobicContact CG-CE2 4.29Å; Q585-Y671 HydrophobicContact CB-CE1 4.31Å; G646-Y671 WeakPolarHBondContact O-CB 3.25Å; G646-Y671 PolarHBondContact O-N 3.24Å; R648-Y671 HydrophobicContact CG-CD2 4.29Å; Y671-Q673 HydrophobicContact CE1-CG 3.89Å; Y671-Y699 HydrophobicContact CD2-CD1 4.45Å; Y671-Y699 HydrophobicContact CD2-CE1 4.29Å; Y671-Y699 AromaticContact CE2-CD1 3.63Å; Y671-Y699 HydrophobicContact CE2-CD1 3.63Å; Y671-Y699 AromaticContact CE2-CE1 3.59Å; Y671-Y699 HydrophobicContact CE2-CE1 3.59Å; Y671-Y699 AromaticContact CZ-CD1 3.93Å
672	E	90.7	Very high	88.5	Confident	14 Å²	14	26.6 Å²	26.6	7%	0.065	14%	0.143	C	C	.	.			trans	-145.1	159.6	-179.4	73.9	-159.1	117.5	0	0	109.2	P670 F769 R773 R776	P670-E672 PolarHBondContact O-N 3.04Å; E672-F769 HydrophobicContact CG-CE2 4.27Å; E672-F769 HydrophobicContact CG-CZ 3.63Å; E672-F769 WeakPolarHBondContact O-CZ 3.48Å; E672-R773 WeakPolarHBondContact OE1-CD 3.01Å; E672-R773 WeakPolarHBondContact OE1-CG 3.27Å; E672-R773 IonicContact OE1-CZ 3.29Å; E672-R773 IonicContact OE1-NE 3.44Å; E672-R773 PolarHBondContact OE1-NE 3.07Å; E672-R773 IonicContact OE1-NH2 2.94Å; E672-R773 PolarHBondContact OE1-NH2 3.18Å; E672-R776 IonicContact OE1-CZ 2.67Å; E672-R776 IonicContact OE1-NH1 3.23Å; E672-R776 IonicContact OE1-NH2 2.7Å; E672-R776 PolarHBondContact OE1-NH2 3.35Å; E672-R776 IonicContact OE2-CZ 3.18Å; E672-R776 VanDerWaalsContact OE2-CZ 3.27Å; E672-R776 IonicContact OE2-NH1 3.84Å; E672-R776 PolarHBondContact OE2-NH1 2.94Å; E672-R776 IonicContact OE2-NH2 2.68Å; E672-R776 PolarHBondContact OE2-NH2 2.78Å
673	Q	95	Very high	89	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.157	C	C	.	.			trans	-120.4	168.5	178.4	-67.7	-171.4	-42	0	0	109.6	P583 Y671 Y699 H701 T748	P583-Q673 PolarHBondContact O-NE2 3.35Å; Y671-Q673 HydrophobicContact CE1-CG 3.89Å; Q673-Y699 CarbonylContact C-O 3.57Å; Q673-Y699 WeakPolarHBondContact CA-O 3.43Å; Q673-Y699 WeakPolarHBondContact CB-O 3.36Å; Q673-Y699 WeakPolarHBondContact CG-O 3.46Å; Q673-H701 HydrophobicContact CB-CB 3.8Å; Q673-T748 HydrophobicContact CB-CG2 4.38Å; Q673-T748 WeakPolarHBondContact O-CB 3.27Å; Q673-T748 WeakPolarHBondContact O-CG2 3.32Å
674	F	98	Very high	89.7	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	152.9	176.2	61.2	-90.7	0	0	0	111.7	I676 L697 Y699 L700 H701 A750 L752 I765 F769 F815	F674-I676 HydrophobicContact CD2-CG1 4.01Å; F674-I676 HydrophobicContact CE2-CD1 4.04Å; F674-I676 HydrophobicContact CE2-CG1 3.77Å; F674-L697 HydrophobicContact CE2-CD2 4.23Å; F674-L697 HydrophobicContact CZ-CD1 4.5Å; F674-L697 HydrophobicContact CZ-CD2 3.96Å; F674-L697 HydrophobicContact CZ-CG 4.13Å; F674-Y699 VanDerWaalsContact CD1-O 3.3Å; F674-Y699 WeakPolarHBondContact CD1-O 3.34Å; F674-Y699 PolarHBondContact N-O 2.88Å; F674-L700 HydrophobicContact CD2-CD1 4.17Å; F674-L700 HydrophobicContact CE2-CD1 3.87Å; F674-L700 HydrophobicContact CZ-CB 4.45Å; F674-H701 WeakPolarHBondContact O-CB 3.44Å; F674-H701 PolarHBondContact O-N 3.45Å; F674-A750 WeakPolarHBondContact CA-O 3.08Å; F674-A750 HydrophobicContact CB-CB 3.54Å; F674-L752 HydrophobicContact CD2-CB 4.03Å; F674-L752 HydrophobicContact CE2-CB 4.41Å; F674-L752 HydrophobicContact CE2-CD2 4.15Å; F674-I765 HydrophobicContact CE1-CG2 4.42Å; F674-I765 HydrophobicContact CE2-CG2 4.03Å; F674-I765 HydrophobicContact CZ-CG2 3.62Å; F674-F769 HydrophobicContact CB-CD2 4.24Å; F674-F769 HydrophobicContact CB-CE2 3.98Å; F674-F769 HydrophobicContact CD1-CB 4.42Å; F674-F769 AromaticContact CD1-CD1 3.93Å; F674-F769 HydrophobicContact CD1-CD1 3.93Å; F674-F769 AromaticContact CD1-CD2 3.78Å; F674-F769 HydrophobicContact CD1-CD2 3.78Å; F674-F769 HydrophobicContact CD1-CE1 4.02Å; F674-F769 AromaticContact CD1-CE2 3.89Å; F674-F769 HydrophobicContact CD1-CE2 3.89Å; F674-F769 AromaticContact CD1-CG 3.79Å; F674-F769 HydrophobicContact CD1-CG 3.79Å; F674-F769 AromaticContact CD1-CZ 3.97Å; F674-F769 HydrophobicContact CD1-CZ 3.97Å; F674-F769 HydrophobicContact CE1-CB 4.45Å; F674-F769 HydrophobicContact CE1-CD1 4.17Å; F674-F769 HydrophobicContact CE1-CG 4.18Å; F674-F769 HydrophobicContact CG-CD2 4.34Å; F674-F769 HydrophobicContact CG-CE2 4.4Å; F674-F815 HydrophobicContact CB-CE1 3.98Å; F674-F815 HydrophobicContact CD1-CE1 4.1Å; F674-F815 HydrophobicContact CD1-CZ 4.48Å; F674-F815 AromaticContact CD2-CE1 3.88Å; F674-F815 HydrophobicContact CD2-CE1 3.88Å; F674-F815 HydrophobicContact CD2-CZ 4.31Å; F674-F815 HydrophobicContact CE2-CE1 4.38Å; F674-F815 HydrophobicContact CE2-CZ 4.36Å; F674-F815 AromaticContact CG-CE1 3.73Å; F674-F815 HydrophobicContact CG-CE1 3.73Å; F674-F815 HydrophobicContact CG-CZ 4.38Å; F674-F815 HydrophobicContact CZ-CZ 4.49Å
675	T	98.8	Very high	90.1	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.7	172.1	-63.8	0	0	0	0	108.2	V677 S702 L704 I746 T748 A750 I751 L752	T675-V677 HydrophobicContact CG2-CG2 4.47Å; T675-S702 WeakPolarHBondContact CA-O 2.98Å; T675-L704 HydrophobicContact CG2-CB 4.4Å; T675-I746 HydrophobicContact CG2-CG1 4.4Å; T675-T748 VanDerWaalsContact CB-OG1 3.23Å; T675-T748 WeakPolarHBondContact CB-OG1 3.03Å; T675-T748 PolarHBondContact N-OG1 3.01Å; T675-T748 PolarHBondContact OG1-OG1 3.48Å; T675-A750 PolarHBondContact N-O 3.49Å; T675-A750 VanDerWaalsContact N-O 3.11Å; T675-I751 WeakPolarHBondContact O-CA 3.48Å; T675-L752 PolarHBondContact O-N 2.71Å
676	I	98.8	Very high	90.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	132.1	170.6	-64.9	175.4	0	0	0	108.4	F674 V678 F694 L697 L700 S702 I703 L704 L752 I754	F674-I676 HydrophobicContact CD2-CG1 4.01Å; F674-I676 HydrophobicContact CE2-CD1 4.04Å; F674-I676 HydrophobicContact CE2-CG1 3.77Å; I676-V678 HydrophobicContact CG2-CG2 3.72Å; I676-F694 HydrophobicContact CD1-CD1 3.98Å; I676-F694 HydrophobicContact CD1-CD2 3.92Å; I676-F694 HydrophobicContact CD1-CE1 4.06Å; I676-F694 HydrophobicContact CD1-CE2 3.99Å; I676-F694 HydrophobicContact CD1-CG 3.92Å; I676-F694 HydrophobicContact CD1-CZ 4.07Å; I676-F694 HydrophobicContact CG2-CE2 4.2Å; I676-L697 HydrophobicContact CD1-CD2 3.98Å; I676-L700 HydrophobicContact CB-CD1 4.25Å; I676-L700 HydrophobicContact CD1-CD1 3.56Å; I676-L700 HydrophobicContact CD1-CD2 4.23Å; I676-L700 HydrophobicContact CG1-CD1 3.54Å; I676-S702 PolarHBondContact N-O 3.14Å; I676-I703 HydrophobicContact CB-CG1 4.14Å; I676-I703 HydrophobicContact CB-CG2 4.39Å; I676-I703 HydrophobicContact CD1-CG1 4.48Å; I676-I703 HydrophobicContact CG2-CG2 4.37Å; I676-I703 CarbonylContact O-C 3.5Å; I676-I703 WeakPolarHBondContact O-CA 3.31Å; I676-L704 PolarHBondContact O-N 3.29Å; I676-L752 CarbonylContact C-O 3.35Å; I676-L752 VanDerWaalsContact CA-O 3.29Å; I676-L752 WeakPolarHBondContact CA-O 3.46Å; I676-L752 HydrophobicContact CD1-CD2 4.3Å; I676-L752 HydrophobicContact CG1-CB 4.11Å; I676-L752 HydrophobicContact CG1-CD2 4.05Å; I676-L752 HydrophobicContact CG1-CG 4.34Å; I676-I754 HydrophobicContact CG2-CG2 3.56Å
677	V	98.7	Very high	91.2	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120	172.4	178.4	0	0	0	0	108.4	T675 L704 V706 R739 I746 I751 L752 I754	T675-V677 HydrophobicContact CG2-CG2 4.47Å; V677-L704 WeakPolarHBondContact CA-O 3.29Å; V677-L704 HydrophobicContact CG2-CB 4.33Å; V677-L704 HydrophobicContact CG2-CD2 4.4Å; V677-V706 HydrophobicContact CG1-CG2 3.91Å; V677-R739 HydrophobicContact CG1-CB 4.49Å; V677-I746 HydrophobicContact CG2-CD1 4.03Å; V677-I751 HydrophobicContact CB-CG2 4.25Å; V677-I751 HydrophobicContact CG2-CG2 3.69Å; V677-L752 PolarHBondContact N-O 2.63Å; V677-I754 PolarHBondContact O-N 3.16Å
678	V	98.3	Very high	92	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.9	179.2	-166.7	0	0	0	0	109.3	I676 L687 I703 L704 V705 V706 I754 D756	I676-V678 HydrophobicContact CG2-CG2 3.72Å; V678-L687 HydrophobicContact CB-CD1 4.36Å; V678-L687 HydrophobicContact CG1-CD1 3.69Å; V678-I703 HydrophobicContact CG2-CG2 4.11Å; V678-L704 PolarHBondContact N-O 3.27Å; V678-V705 CarbonylContact O-C 3.48Å; V678-V705 WeakPolarHBondContact O-CA 3.3Å; V678-V706 PolarHBondContact O-N 3.02Å; V678-I754 WeakPolarHBondContact CA-O 3.18Å; V678-I754 HydrophobicContact CG2-CG2 3.77Å; V678-D756 HydrophobicContact CG1-CB 3.7Å
679	L	96.5	Very high	92.5	Very high	16 Å²	16	31.8 Å²	31.8	8%	0.084	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.7	170.4	-173	72.1	0	0	0	108.7	V706 N708 L736 N738 R739	L679-V706 HydrophobicContact CD1-CB 3.68Å; L679-V706 HydrophobicContact CD1-CG1 3.51Å; L679-N708 HydrophobicContact CD1-CB 3.77Å; L679-N708 HydrophobicContact CG-CB 4.28Å; L679-L736 HydrophobicContact CD2-CD2 4.02Å; L679-N738 HydrophobicContact CD1-CB 4.18Å; L679-R739 HydrophobicContact CB-CB 4.11Å; L679-R739 HydrophobicContact CD2-CB 4.39Å
680	T	94.8	Very high	92.9	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.8	-178.6	-171.5	0	0	0	0	111.8	L687 V705 V706 W707 N708 D756	T680-L687 HydrophobicContact CG2-CD2 3.86Å; T680-V705 HydrophobicContact CG2-CG1 3.82Å; T680-V706 PolarHBondContact N-O 3.14Å; T680-V706 VanDerWaalsContact N-O 3.1Å; T680-W707 HydrophobicContact CG2-CE3 3.69Å; T680-W707 HydrophobicContact CG2-CZ3 4.05Å; T680-N708 WeakPolarHBondContact O-CB 3.41Å; T680-N708 PolarHBondContact O-N 2.83Å; T680-D756 WeakPolarHBondContact CA-OD2 3.34Å; T680-D756 VanDerWaalsContact CB-OD2 3.28Å; T680-D756 WeakPolarHBondContact CB-OD2 3.42Å; T680-D756 PolarHBondContact OG1-OD2 3.01Å
681	Y	90.9	Very high	93.4	Very high	102 Å²	102	26.3 Å²	26.3	40%	0.4	12%	0.124	S	C	.	.	S	Bend	trans	-139.9	108.1	176.7	-175.5	-84.7	0	0	0	109	R683 N708 N709 N734	Y681-R683 WeakPolarHBondContact O-CG 3.41Å; Y681-R683 PolarHBondContact O-N 2.83Å; Y681-N708 HydrophobicContact CD2-CB 4.4Å; Y681-N709 HydrophobicContact CD2-CB 3.92Å; Y681-N709 HydrophobicContact CE2-CB 3.85Å; Y681-N734 HydrophobicContact CD2-CB 4.39Å; Y681-N734 HydrophobicContact CE2-CB 4.06Å; Y681-N734 VanDerWaalsContact CE2-ND2 3.25Å; Y681-N734 WeakPolarHBondContact CE2-ND2 3.29Å
682	D	84.3	Confident	93.7	Very high	93 Å²	93	28.4 Å²	28.4	50%	0.497	13%	0.134	S	C	.	.	S	Bend	trans	54.4	22.8	174.9	-67.3	-17.3	0	0	0	117	N709	D682-N709 PolarHBondContact OD1-ND2 3.34Å; D682-N709 PolarHBondContact OD2-ND2 3.05Å
683	R	88.4	Confident	93.7	Very high	80 Å²	80	28.3 Å²	28.3	30%	0.302	14%	0.135	S	C	.	.			trans	-115.1	43.2	177.9	-64.4	-166.9	-68.3	-177.1	-9.3	112.8	Y681 N685 L686 L687 D756 D757	Y681-R683 WeakPolarHBondContact O-CG 3.41Å; Y681-R683 PolarHBondContact O-N 2.83Å; R683-N685 PolarHBondContact O-N 3.28Å; R683-L686 HydrophobicContact CB-CB 4.27Å; R683-L686 PolarHBondContact O-N 2.92Å; R683-L686 VanDerWaalsContact O-N 3.08Å; R683-L687 WeakPolarHBondContact O-CB 3.25Å; R683-L687 PolarHBondContact O-N 2.96Å; R683-D756 IonicContact CZ-OD1 3.95Å; R683-D756 IonicContact CZ-OD2 2.71Å; R683-D756 IonicContact NE-OD1 3.38Å; R683-D756 PolarHBondContact NE-OD1 3.36Å; R683-D756 IonicContact NE-OD2 3.4Å; R683-D756 PolarHBondContact NE-OD2 3.29Å; R683-D756 IonicContact NH2-OD1 3.27Å; R683-D756 PolarHBondContact NH2-OD1 3.12Å; R683-D756 IonicContact NH2-OD2 3.57Å; R683-D757 IonicContact CZ-OD2 3.97Å; R683-D757 IonicContact NH1-OD2 3.79Å; R683-D757 PolarHBondContact NH1-OD2 2.92Å; R683-D757 IonicContact NH2-OD2 3.83Å; R683-D757 PolarHBondContact NH2-OD2 3.42Å
684	F	92.3	Very high	93.5	Very high	22 Å²	22	28.2 Å²	28.2	10%	0.096	14%	0.135	C	C	.	.	H	α-helix	trans	-52.3	-47.1	-172.1	-177.1	-105.2	0	0	0	114.2	L686 L687 C688 W707 L717 S718 W719	F684-L686 VanDerWaalsContact C-N 3.32Å; F684-L686 PolarHBondContact O-N 2.86Å; F684-L687 HydrophobicContact CD2-CD2 4.45Å; F684-L687 WeakPolarHBondContact O-CB 3.43Å; F684-L687 PolarHBondContact O-N 3.36Å; F684-C688 WeakPolarHBondContact CE1-SG 3.19Å; F684-C688 WeakPolarHBondContact CZ-SG 3.27Å; F684-C688 PolarHBondContact O-N 3.41Å; F684-C688 PolarHBondContact O-SG 3.34Å; F684-W707 HydrophobicContact CD2-CZ3 4.45Å; F684-L717 HydrophobicContact CD1-CB 4.35Å; F684-L717 HydrophobicContact CD1-CD1 3.96Å; F684-L717 HydrophobicContact CD1-CD2 3.78Å; F684-L717 HydrophobicContact CD1-CG 4.24Å; F684-L717 HydrophobicContact CD2-CD1 4.16Å; F684-L717 HydrophobicContact CE1-CB 3.77Å; F684-L717 HydrophobicContact CE1-CD1 4.23Å; F684-L717 HydrophobicContact CE1-CD2 3.83Å; F684-L717 HydrophobicContact CE1-CG 4.14Å; F684-L717 HydrophobicContact CE2-CB 4.33Å; F684-L717 HydrophobicContact CE2-CD1 4.44Å; F684-L717 HydrophobicContact CG-CD1 3.91Å; F684-L717 HydrophobicContact CZ-CB 3.76Å; F684-L717 HydrophobicContact CZ-CD1 4.46Å; F684-L717 HydrophobicContact CZ-CG 4.49Å; F684-S718 WeakPolarHBondContact CZ-O 3.5Å; F684-W719 HydrophobicContact CD2-CH2 4.36Å; F684-W719 HydrophobicContact CD2-CZ2 4.12Å; F684-W719 AromaticContact CE2-CD2 3.66Å; F684-W719 HydrophobicContact CE2-CD2 3.66Å; F684-W719 AromaticContact CE2-CE2 3.36Å; F684-W719 HydrophobicContact CE2-CE3 4.07Å; F684-W719 HydrophobicContact CE2-CG 4.17Å; F684-W719 AromaticContact CE2-CH2 3.95Å; F684-W719 HydrophobicContact CE2-CH2 3.95Å; F684-W719 AromaticContact CE2-CZ2 3.54Å; F684-W719 HydrophobicContact CE2-CZ2 3.54Å; F684-W719 HydrophobicContact CE2-CZ3 4.19Å; F684-W719 AromaticContact CE2-NE1 3.64Å; F684-W719 AromaticContact CZ-CD1 3.96Å; F684-W719 HydrophobicContact CZ-CD2 4.1Å; F684-W719 HydrophobicContact CZ-CG 4.12Å; F684-W719 AromaticContact CZ-NE1 3.87Å
685	N	91.9	Very high	93.2	Very high	124 Å²	124	29.1 Å²	29.1	66%	0.663	14%	0.139	S	C	*	.	H	α-helix	trans	-64.1	-38	-178.9	-65.7	-21.4	0	0	0	112.5	R683 C688 Q689	R683-N685 PolarHBondContact O-N 3.28Å; N685-C688 WeakPolarHBondContact O-CB 3.23Å; N685-C688 PolarHBondContact O-N 3.48Å; N685-Q689 PolarHBondContact O-N 3.14Å
686	L	91.5	Very high	92.7	Very high	17 Å²	17	30.5 Å²	30.5	9%	0.089	15%	0.147	C	C	.	.	H	α-helix	trans	-71.4	-43.5	178.4	-176.9	57.5	0	0	0	111	R683 F684 C688 Q689 T690 D757 Y872 C873	R683-L686 HydrophobicContact CB-CB 4.27Å; R683-L686 PolarHBondContact O-N 2.92Å; R683-L686 VanDerWaalsContact O-N 3.08Å; F684-L686 VanDerWaalsContact C-N 3.32Å; F684-L686 PolarHBondContact O-N 2.86Å; L686-C688 VanDerWaalsContact C-N 3.27Å; L686-C688 PolarHBondContact O-N 3.43Å; L686-Q689 WeakPolarHBondContact O-CB 3.32Å; L686-Q689 PolarHBondContact O-N 2.98Å; L686-Q689 VanDerWaalsContact O-N 3.13Å; L686-T690 PolarHBondContact O-N 3.4Å; L686-T690 PolarHBondContact O-OG1 2.96Å; L686-D757 HydrophobicContact CD2-CB 3.56Å; L686-D757 HydrophobicContact CG-CB 4.15Å; L686-Y872 HydrophobicContact CD1-CD2 4.35Å; L686-C873 VanDerWaalsContact CD2-SG 3.51Å
687	L	94.7	Very high	92.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-53.6	-45.3	170.7	172.4	71.6	0	0	0	111.1	V678 T680 R683 F684 Q689 T690 L691 V705 W719 D756	V678-L687 HydrophobicContact CB-CD1 4.36Å; V678-L687 HydrophobicContact CG1-CD1 3.69Å; T680-L687 HydrophobicContact CG2-CD2 3.86Å; R683-L687 WeakPolarHBondContact O-CB 3.25Å; R683-L687 PolarHBondContact O-N 2.96Å; F684-L687 HydrophobicContact CD2-CD2 4.45Å; F684-L687 WeakPolarHBondContact O-CB 3.43Å; F684-L687 PolarHBondContact O-N 3.36Å; L687-Q689 PolarHBondContact O-N 2.98Å; L687-T690 PolarHBondContact O-N 2.7Å; L687-L691 HydrophobicContact CD1-CD1 4.15Å; L687-L691 HydrophobicContact CD1-CG 4.1Å; L687-L691 HydrophobicContact CD2-CD1 4.37Å; L687-L691 HydrophobicContact CG-CD1 3.84Å; L687-L691 HydrophobicContact CG-CG 4.2Å; L687-L691 WeakPolarHBondContact O-CB 3.01Å; L687-L691 VanDerWaalsContact O-CG 3.23Å; L687-L691 WeakPolarHBondContact O-CG 3.27Å; L687-L691 PolarHBondContact O-N 3.43Å; L687-V705 HydrophobicContact CD1-CG1 4.47Å; L687-V705 HydrophobicContact CD2-CG1 3.98Å; L687-W719 HydrophobicContact CD2-CH2 3.9Å; L687-W719 HydrophobicContact CD2-CZ3 3.74Å; L687-D756 HydrophobicContact CB-CB 4.26Å; L687-D756 HydrophobicContact CD1-CB 3.92Å
688	C	94	Very high	91.9	Very high	8 Å²	8	30.4 Å²	30.4	5%	0.054	15%	0.146	C	C	.	.	H	α-helix	trans	-58.1	-45.1	177.2	-73.9	0	0	0	0	112.1	F684 N685 L686 T690 L691 E692	F684-C688 WeakPolarHBondContact CE1-SG 3.19Å; F684-C688 WeakPolarHBondContact CZ-SG 3.27Å; F684-C688 PolarHBondContact O-N 3.41Å; F684-C688 PolarHBondContact O-SG 3.34Å; N685-C688 WeakPolarHBondContact O-CB 3.23Å; N685-C688 PolarHBondContact O-N 3.48Å; L686-C688 VanDerWaalsContact C-N 3.27Å; L686-C688 PolarHBondContact O-N 3.43Å; C688-T690 VanDerWaalsContact C-N 3.33Å; C688-T690 PolarHBondContact O-N 3.44Å; C688-L691 PolarHBondContact O-N 2.94Å; C688-E692 WeakPolarHBondContact O-CB 3.39Å; C688-E692 VanDerWaalsContact O-CG 3.25Å; C688-E692 WeakPolarHBondContact O-CG 3.39Å; C688-E692 PolarHBondContact O-N 3.15Å
689	Q	90.2	Very high	91.7	Very high	62 Å²	62	30.4 Å²	30.4	29%	0.29	15%	0.146	S	C	.	.	H	α-helix	trans	-61.4	-41.4	176.4	-65.7	175.4	20.7	0	0	112	N685 L686 L687 E692 S693 Y872	N685-Q689 PolarHBondContact O-N 3.14Å; L686-Q689 WeakPolarHBondContact O-CB 3.32Å; L686-Q689 PolarHBondContact O-N 2.98Å; L686-Q689 VanDerWaalsContact O-N 3.13Å; L687-Q689 PolarHBondContact O-N 2.98Å; Q689-E692 PolarHBondContact O-N 3.49Å; Q689-S693 PolarHBondContact O-N 2.95Å; Q689-Y872 VanDerWaalsContact OE1-CD2 3.25Å; Q689-Y872 VanDerWaalsContact OE1-CE2 3.3Å
690	T	92.3	Very high	91.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-43.7	175.7	-61.3	0	0	0	0	111.3	L686 L687 C688 S693 F694 D756 I758	L686-T690 PolarHBondContact O-N 3.4Å; L686-T690 PolarHBondContact O-OG1 2.96Å; L687-T690 PolarHBondContact O-N 2.7Å; C688-T690 VanDerWaalsContact C-N 3.33Å; C688-T690 PolarHBondContact O-N 3.44Å; T690-S693 WeakPolarHBondContact O-CB 3.42Å; T690-S693 PolarHBondContact O-N 3.25Å; T690-S693 PolarHBondContact O-OG 3.36Å; T690-F694 HydrophobicContact CG2-CE2 3.98Å; T690-F694 HydrophobicContact CG2-CZ 3.92Å; T690-D756 WeakPolarHBondContact CB-O 3.41Å; T690-D756 PolarHBondContact OG1-O 3.39Å; T690-I758 WeakPolarHBondContact CG2-O 3.41Å
691	L	94.8	Very high	91.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.6	-41.7	176.6	-69.9	173.6	0	0	0	112.3	L687 C688 S693 F694 I703 V705 W719 P720 L722 I726	L687-L691 HydrophobicContact CD1-CD1 4.15Å; L687-L691 HydrophobicContact CD1-CG 4.1Å; L687-L691 HydrophobicContact CD2-CD1 4.37Å; L687-L691 HydrophobicContact CG-CD1 3.84Å; L687-L691 HydrophobicContact CG-CG 4.2Å; L687-L691 WeakPolarHBondContact O-CB 3.01Å; L687-L691 VanDerWaalsContact O-CG 3.23Å; L687-L691 WeakPolarHBondContact O-CG 3.27Å; L687-L691 PolarHBondContact O-N 3.43Å; C688-L691 PolarHBondContact O-N 2.94Å; L691-S693 PolarHBondContact O-N 3.42Å; L691-F694 PolarHBondContact O-N 3.45Å; L691-F694 VanDerWaalsContact O-N 3.09Å; L691-I703 HydrophobicContact CD2-CD1 4.04Å; L691-I703 HydrophobicContact CD2-CG2 3.74Å; L691-V705 HydrophobicContact CD2-CG2 4.29Å; L691-W719 HydrophobicContact CD1-CE3 3.88Å; L691-W719 HydrophobicContact CD1-CZ3 3.95Å; L691-P720 HydrophobicContact CB-CG 3.62Å; L691-P720 HydrophobicContact CD1-CG 4.11Å; L691-L722 WeakPolarHBondContact O-CD2 3.45Å; L691-I726 HydrophobicContact CD1-CD1 4.32Å
692	E	92.7	Very high	92.1	Very high	54 Å²	54	24.9 Å²	24.9	25%	0.252	12%	0.124	S	C	.	.	H	α-helix	trans	-58.2	-36.2	175.6	-75.3	171.7	-169.1	0	0	112	Y562 I564 C688 Q689 F694 L695 P720	Y562-E692 VanDerWaalsContact CE2-OE1 3.27Å; Y562-E692 WeakPolarHBondContact CE2-OE1 3.26Å; Y562-E692 VanDerWaalsContact CZ-OE1 3.29Å; Y562-E692 PolarHBondContact OH-OE1 3.03Å; I564-E692 HydrophobicContact CD1-CB 4.35Å; I564-E692 HydrophobicContact CD1-CG 3.96Å; I564-E692 HydrophobicContact CG1-CG 4.11Å; I564-E692 HydrophobicContact CG2-CG 4.34Å; C688-E692 WeakPolarHBondContact O-CB 3.39Å; C688-E692 VanDerWaalsContact O-CG 3.25Å; C688-E692 WeakPolarHBondContact O-CG 3.39Å; C688-E692 PolarHBondContact O-N 3.15Å; Q689-E692 PolarHBondContact O-N 3.49Å; E692-F694 PolarHBondContact O-N 3.31Å; E692-F694 VanDerWaalsContact O-N 3.15Å; E692-L695 VanDerWaalsContact O-CB 3.31Å; E692-L695 WeakPolarHBondContact O-CB 3.33Å; E692-L695 PolarHBondContact O-N 3.26Å; E692-L695 VanDerWaalsContact O-N 3.1Å; E692-P720 HydrophobicContact CG-CB 3.72Å; E692-P720 HydrophobicContact CG-CG 4.24Å
693	S	90.2	Very high	92.8	Very high	11 Å²	11	20.5 Å²	20.5	8%	0.077	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-17	178.4	83.8	0	0	0	0	113.8	Q689 T690 L691 H762	Q689-S693 PolarHBondContact O-N 2.95Å; T690-S693 WeakPolarHBondContact O-CB 3.42Å; T690-S693 PolarHBondContact O-N 3.25Å; T690-S693 PolarHBondContact O-OG 3.36Å; L691-S693 PolarHBondContact O-N 3.42Å; S693-H762 PolarHBondContact O-NE2 2.94Å
694	F	92.2	Very high	93.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	1	177	-55	-42.2	0	0	0	114	I676 T690 L691 E692 N696 L697 L700 I703 H723 I754 I765	I676-F694 HydrophobicContact CD1-CD1 3.98Å; I676-F694 HydrophobicContact CD1-CD2 3.92Å; I676-F694 HydrophobicContact CD1-CE1 4.06Å; I676-F694 HydrophobicContact CD1-CE2 3.99Å; I676-F694 HydrophobicContact CD1-CG 3.92Å; I676-F694 HydrophobicContact CD1-CZ 4.07Å; I676-F694 HydrophobicContact CG2-CE2 4.2Å; T690-F694 HydrophobicContact CG2-CE2 3.98Å; T690-F694 HydrophobicContact CG2-CZ 3.92Å; L691-F694 PolarHBondContact O-N 3.45Å; L691-F694 VanDerWaalsContact O-N 3.09Å; E692-F694 PolarHBondContact O-N 3.31Å; E692-F694 VanDerWaalsContact O-N 3.15Å; F694-N696 PolarHBondContact O-N 2.8Å; F694-L697 HydrophobicContact CB-CB 4.49Å; F694-L697 HydrophobicContact CB-CD2 4.33Å; F694-L697 HydrophobicContact CD1-CD2 3.9Å; F694-L697 HydrophobicContact CG-CD2 4.4Å; F694-L697 VanDerWaalsContact O-CB 3.23Å; F694-L697 WeakPolarHBondContact O-CB 3.31Å; F694-L697 PolarHBondContact O-N 2.89Å; F694-L700 HydrophobicContact CB-CD2 4.2Å; F694-I703 HydrophobicContact CB-CD1 4.3Å; F694-I703 HydrophobicContact CD2-CD1 3.94Å; F694-H723 PolarHBondContact O-CE1 3.3Å; F694-I754 HydrophobicContact CE1-CD1 4.27Å; F694-I754 HydrophobicContact CE2-CG2 4.48Å; F694-I754 HydrophobicContact CZ-CD1 3.87Å; F694-I754 HydrophobicContact CZ-CG2 4.08Å; F694-I765 HydrophobicContact CD1-CD1 4.18Å; F694-I765 HydrophobicContact CE1-CD1 3.98Å
695	L	91.3	Very high	93.5	Very high	18 Å²	18	15.8 Å²	15.8	9%	0.094	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	126.2	177.3	177.2	68	0	0	0	110.1	I564 E692 L697 L722 H762	I564-L695 HydrophobicContact CB-CD2 3.99Å; I564-L695 HydrophobicContact CD1-CB 4.16Å; I564-L695 HydrophobicContact CD1-CD1 4.27Å; I564-L695 HydrophobicContact CD1-CD2 4.14Å; I564-L695 HydrophobicContact CD1-CG 4.41Å; I564-L695 HydrophobicContact CG2-CD2 4.01Å; E692-L695 VanDerWaalsContact O-CB 3.31Å; E692-L695 WeakPolarHBondContact O-CB 3.33Å; E692-L695 PolarHBondContact O-N 3.26Å; E692-L695 VanDerWaalsContact O-N 3.1Å; L695-L697 PolarHBondContact O-N 2.71Å; L695-L722 HydrophobicContact CB-CD2 3.85Å; L695-L722 HydrophobicContact CD1-CD2 4.1Å; L695-H762 PolarHBondContact O-CE1 3.08Å
696	N	88.5	Confident	93.8	Very high	30 Å²	30	9.9 Å²	9.9	16%	0.16	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	13.2	-176.9	-55.2	-38.2	0	0	0	115.7	R128 D575 I581 F694 P698 H723	R128-N696 PolarHBondContact NH2-O 2.92Å; D575-N696 WeakPolarHBondContact OD2-CB 3.45Å; I581-N696 HydrophobicContact CD1-CB 3.76Å; F694-N696 PolarHBondContact O-N 2.8Å; N696-P698 VanDerWaalsContact O-CD 3.23Å; N696-P698 WeakPolarHBondContact O-CD 3.47Å; N696-H723 VanDerWaalsContact CA-CE1 3.43Å; N696-H723 WeakPolarHBondContact CA-CE1 3.09Å; N696-H723 WeakPolarHBondContact CA-ND1 3.17Å; N696-H723 PolarHBondContact N-CE1 3.05Å; N696-H723 PolarHBondContact N-ND1 2.68Å
697	L	90.8	Very high	94	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.047	C	C	.	.			trans	-56.1	119.8	172.4	176.4	53.8	0	0	0	111.1	F674 I676 F694 L695 L700 H723 H762 I765 V766	F674-L697 HydrophobicContact CE2-CD2 4.23Å; F674-L697 HydrophobicContact CZ-CD1 4.5Å; F674-L697 HydrophobicContact CZ-CD2 3.96Å; F674-L697 HydrophobicContact CZ-CG 4.13Å; I676-L697 HydrophobicContact CD1-CD2 3.98Å; F694-L697 HydrophobicContact CB-CB 4.49Å; F694-L697 HydrophobicContact CB-CD2 4.33Å; F694-L697 HydrophobicContact CD1-CD2 3.9Å; F694-L697 HydrophobicContact CG-CD2 4.4Å; F694-L697 VanDerWaalsContact O-CB 3.23Å; F694-L697 WeakPolarHBondContact O-CB 3.31Å; F694-L697 PolarHBondContact O-N 2.89Å; L695-L697 PolarHBondContact O-N 2.71Å; L697-L700 HydrophobicContact CB-CB 4.37Å; L697-L700 HydrophobicContact CB-CD2 4.27Å; L697-L700 HydrophobicContact CD2-CD2 4.3Å; L697-L700 HydrophobicContact CG-CB 4.24Å; L697-L700 WeakPolarHBondContact O-CB 3.22Å; L697-H723 PolarHBondContact N-CE1 3.47Å; L697-H723 PolarHBondContact O-NE2 3.01Å; L697-H762 HydrophobicContact CD1-CB 4.09Å; L697-I765 HydrophobicContact CD1-CB 4.21Å; L697-I765 HydrophobicContact CD1-CD1 4.33Å; L697-I765 HydrophobicContact CD1-CG2 4.14Å; L697-I765 HydrophobicContact CD2-CD1 3.82Å; L697-I765 HydrophobicContact CD2-CG2 4.1Å; L697-V766 HydrophobicContact CD1-CG2 4.32Å
698	P	90.2	Very high	94	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	151.8	177.6	-26.9	38.4	0	0	0	113.2	L578 N696 L700 V766	L578-P698 HydrophobicContact CB-CG 3.84Å; L578-P698 VanDerWaalsContact O-CB 3.3Å; L578-P698 WeakPolarHBondContact O-CB 3.27Å; N696-P698 VanDerWaalsContact O-CD 3.23Å; N696-P698 WeakPolarHBondContact O-CD 3.47Å; P698-L700 PolarHBondContact O-N 2.89Å; P698-V766 HydrophobicContact CB-CG2 4.49Å
699	Y	92.5	Very high	93.9	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	10.8	179.7	-39.3	-73	0	0	0	115.7	L578 P580 L665 Y671 Q673 F674 V766 F769	L578-Y699 WeakPolarHBondContact O-CE2 3.31Å; P580-Y699 HydrophobicContact CG-CE1 4.48Å; L665-Y699 WeakPolarHBondContact CA-OH 3.14Å; L665-Y699 HydrophobicContact CB-CE1 3.81Å; L665-Y699 HydrophobicContact CD1-CD1 4.41Å; L665-Y699 HydrophobicContact CD1-CD2 4.05Å; L665-Y699 HydrophobicContact CD1-CE1 4.09Å; L665-Y699 HydrophobicContact CD1-CE2 3.69Å; L665-Y699 HydrophobicContact CD1-CG 4.38Å; L665-Y699 HydrophobicContact CD2-CD1 4.34Å; L665-Y699 HydrophobicContact CD2-CE1 4.31Å; L665-Y699 HydrophobicContact CG-CE1 4.28Å; L665-Y699 PolarHBondContact N-OH 3.17Å; Y671-Y699 HydrophobicContact CD2-CD1 4.45Å; Y671-Y699 HydrophobicContact CD2-CE1 4.29Å; Y671-Y699 AromaticContact CE2-CD1 3.63Å; Y671-Y699 HydrophobicContact CE2-CD1 3.63Å; Y671-Y699 AromaticContact CE2-CE1 3.59Å; Y671-Y699 HydrophobicContact CE2-CE1 3.59Å; Y671-Y699 AromaticContact CZ-CD1 3.93Å; Q673-Y699 CarbonylContact C-O 3.57Å; Q673-Y699 WeakPolarHBondContact CA-O 3.43Å; Q673-Y699 WeakPolarHBondContact CB-O 3.36Å; Q673-Y699 WeakPolarHBondContact CG-O 3.46Å; F674-Y699 VanDerWaalsContact CD1-O 3.3Å; F674-Y699 WeakPolarHBondContact CD1-O 3.34Å; F674-Y699 PolarHBondContact N-O 2.88Å; Y699-V766 HydrophobicContact CD2-CG1 4.32Å; Y699-V766 HydrophobicContact CD2-CG2 4.2Å; Y699-V766 HydrophobicContact CE2-CG1 3.97Å; Y699-V766 HydrophobicContact CE2-CG2 4.42Å; Y699-F769 HydrophobicContact CD2-CD1 4.36Å; Y699-F769 HydrophobicContact CD2-CE1 4.42Å; Y699-F769 HydrophobicContact CG-CD1 4.46Å; Y699-F769 HydrophobicContact CG-CE1 4.09Å
700	L	95.8	Very high	93.7	Very high	3 Å²	3	9.4 Å²	9.4	2%	0.016	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	124.6	171.6	-179	59.4	0	0	0	109.8	F674 I676 F694 L697 P698 I703 V724	F674-L700 HydrophobicContact CD2-CD1 4.17Å; F674-L700 HydrophobicContact CE2-CD1 3.87Å; F674-L700 HydrophobicContact CZ-CB 4.45Å; I676-L700 HydrophobicContact CB-CD1 4.25Å; I676-L700 HydrophobicContact CD1-CD1 3.56Å; I676-L700 HydrophobicContact CD1-CD2 4.23Å; I676-L700 HydrophobicContact CG1-CD1 3.54Å; F694-L700 HydrophobicContact CB-CD2 4.2Å; L697-L700 HydrophobicContact CB-CB 4.37Å; L697-L700 HydrophobicContact CB-CD2 4.27Å; L697-L700 HydrophobicContact CD2-CD2 4.3Å; L697-L700 HydrophobicContact CG-CB 4.24Å; L697-L700 WeakPolarHBondContact O-CB 3.22Å; P698-L700 PolarHBondContact O-N 2.89Å; L700-I703 HydrophobicContact CD1-CG1 4.27Å; L700-I703 HydrophobicContact CD2-CD1 4.07Å; L700-I703 HydrophobicContact CD2-CG1 4.05Å; L700-V724 HydrophobicContact CD2-CG2 3.51Å; L700-V724 HydrophobicContact CG-CG1 4.27Å; L700-V724 HydrophobicContact CG-CG2 3.85Å; L700-V724 VanDerWaalsContact O-CG1 3.28Å; L700-V724 WeakPolarHBondContact O-CG1 3.42Å
701	H	97.3	Very high	93.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-52.4	177.2	175.7	-90.6	0	0	0	111.9	Q584 S586 Q673 F674 E747 T748	Q584-H701 WeakPolarHBondContact CG-CD2 3.45Å; Q584-H701 WeakPolarHBondContact CG-NE2 3.48Å; Q584-H701 PolarHBondContact NE2-CE1 3.3Å; Q584-H701 PolarHBondContact NE2-ND1 3.48Å; Q584-H701 PolarHBondContact NE2-NE2 3.43Å; Q584-H701 VanDerWaalsContact NE2-NE2 3.14Å; Q584-H701 PolarHBondContact NE2-O 2.92Å; S586-H701 PolarHBondContact OG-NE2 3.01Å; Q673-H701 HydrophobicContact CB-CB 3.8Å; F674-H701 WeakPolarHBondContact O-CB 3.44Å; F674-H701 PolarHBondContact O-N 3.45Å; H701-E747 IonicContact CE1-OE2 2.6Å; H701-E747 PolarHBondContact CE1-OE2 3.11Å; H701-E747 IonicContact NE2-OE2 3.8Å; H701-E747 PolarHBondContact NE2-OE2 3.04Å; H701-T748 HydrophobicContact CB-CG2 3.45Å; H701-T748 VanDerWaalsContact CB-CG2 3.45Å
702	S	98.2	Very high	93.1	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.007	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	162.4	-177.1	55.1	0	0	0	0	110.1	T675 I676	T675-S702 WeakPolarHBondContact CA-O 2.98Å; I676-S702 PolarHBondContact N-O 3.14Å
703	I	98.7	Very high	92.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.2	171.5	-59.3	159.8	0	0	0	108.5	I676 V678 L691 F694 L700 V705 L722 V724 P725 K727	I676-I703 HydrophobicContact CB-CG1 4.14Å; I676-I703 HydrophobicContact CB-CG2 4.39Å; I676-I703 HydrophobicContact CD1-CG1 4.48Å; I676-I703 HydrophobicContact CG2-CG2 4.37Å; I676-I703 CarbonylContact O-C 3.5Å; I676-I703 WeakPolarHBondContact O-CA 3.31Å; V678-I703 HydrophobicContact CG2-CG2 4.11Å; L691-I703 HydrophobicContact CD2-CD1 4.04Å; L691-I703 HydrophobicContact CD2-CG2 3.74Å; F694-I703 HydrophobicContact CB-CD1 4.3Å; F694-I703 HydrophobicContact CD2-CD1 3.94Å; L700-I703 HydrophobicContact CD1-CG1 4.27Å; L700-I703 HydrophobicContact CD2-CD1 4.07Å; L700-I703 HydrophobicContact CD2-CG1 4.05Å; I703-V705 HydrophobicContact CG2-CG2 4.1Å; I703-L722 HydrophobicContact CD1-CD1 3.34Å; I703-V724 HydrophobicContact CD1-CG2 4.34Å; I703-P725 PolarHBondContact N-O 3.31Å; I703-P725 VanDerWaalsContact N-O 3.08Å; I703-K727 PolarHBondContact O-N 3.28Å
704	L	98.6	Very high	92.8	Very high	3 Å²	3	18 Å²	18	2%	0.016	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	110.4	172.5	-177.3	66.3	0	0	0	109.1	T675 I676 V677 V678 K727 I729 Y743 L745 I746	T675-L704 HydrophobicContact CG2-CB 4.4Å; I676-L704 PolarHBondContact O-N 3.29Å; V677-L704 WeakPolarHBondContact CA-O 3.29Å; V677-L704 HydrophobicContact CG2-CB 4.33Å; V677-L704 HydrophobicContact CG2-CD2 4.4Å; V678-L704 PolarHBondContact N-O 3.27Å; L704-K727 CarbonylContact C-O 3.52Å; L704-K727 WeakPolarHBondContact CA-O 2.97Å; L704-K727 HydrophobicContact CD1-CB 4.06Å; L704-I729 HydrophobicContact CD1-CB 4.45Å; L704-I729 HydrophobicContact CD1-CD1 4.07Å; L704-I729 HydrophobicContact CD1-CG1 4.02Å; L704-I729 HydrophobicContact CD1-CG2 3.64Å; L704-I729 HydrophobicContact CD2-CD1 4.19Å; L704-I729 HydrophobicContact CG-CD1 4.27Å; L704-I729 HydrophobicContact CG-CG1 4.44Å; L704-Y743 HydrophobicContact CD2-CD2 3.48Å; L704-Y743 VanDerWaalsContact CD2-CD2 3.48Å; L704-Y743 HydrophobicContact CD2-CE2 4.15Å; L704-Y743 HydrophobicContact CD2-CG 3.84Å; L704-L745 HydrophobicContact CD1-CB 4.4Å; L704-L745 HydrophobicContact CD1-CD1 3.97Å; L704-I746 HydrophobicContact CD2-CD1 4.13Å; L704-I746 HydrophobicContact CD2-CG1 3.9Å
705	V	98.2	Very high	92.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	112.5	174.7	179.2	0	0	0	0	108.5	V678 T680 L687 L691 I703 W707 W719 I726 K727 V728 I729	V678-V705 CarbonylContact O-C 3.48Å; V678-V705 WeakPolarHBondContact O-CA 3.3Å; T680-V705 HydrophobicContact CG2-CG1 3.82Å; L687-V705 HydrophobicContact CD1-CG1 4.47Å; L687-V705 HydrophobicContact CD2-CG1 3.98Å; L691-V705 HydrophobicContact CD2-CG2 4.29Å; I703-V705 HydrophobicContact CG2-CG2 4.1Å; V705-W707 PolarHBondContact O-N 2.04Å; V705-W719 HydrophobicContact CB-CZ3 4.5Å; V705-W719 HydrophobicContact CG1-CH2 4.15Å; V705-W719 HydrophobicContact CG1-CZ3 4.24Å; V705-W719 HydrophobicContact CG2-CZ3 4.19Å; V705-I726 HydrophobicContact CG2-CG2 3.91Å; V705-K727 PolarHBondContact N-O 3.28Å; V705-V728 HydrophobicContact CB-CG1 4.17Å; V705-V728 HydrophobicContact CB-CG2 4.33Å; V705-V728 HydrophobicContact CG1-CG1 4.15Å; V705-V728 WeakPolarHBondContact O-CA 3.34Å; V705-I729 PolarHBondContact O-N 3.22Å
706	V	97.6	Very high	92.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	97.6	173.6	-170.7	0	0	0	0	108	V677 V678 L679 T680 N708 I729 S731 N738 Y743	V677-V706 HydrophobicContact CG1-CG2 3.91Å; V678-V706 PolarHBondContact O-N 3.02Å; L679-V706 HydrophobicContact CD1-CB 3.68Å; L679-V706 HydrophobicContact CD1-CG1 3.51Å; T680-V706 PolarHBondContact N-O 3.14Å; T680-V706 VanDerWaalsContact N-O 3.1Å; V706-N708 PolarHBondContact O-N 3.49Å; V706-N708 VanDerWaalsContact O-N 3.13Å; V706-I729 HydrophobicContact CB-CG1 4.39Å; V706-I729 HydrophobicContact CG1-CD1 4.38Å; V706-I729 HydrophobicContact CG1-CG1 4.42Å; V706-I729 HydrophobicContact CG2-CD1 4.05Å; V706-I729 HydrophobicContact CG2-CG1 4.26Å; V706-S731 WeakPolarHBondContact CG1-OG 3.49Å; V706-N738 HydrophobicContact CG1-CB 3.97Å; V706-Y743 HydrophobicContact CG2-CE2 3.98Å
707	W	95.8	Very high	92.6	Very high	7 Å²	7	26.5 Å²	26.5	3%	0.027	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	103.7	174.9	-170.3	-96.3	0	0	0	108.9	V552 T680 F684 V705 N709 V711 P713 V728 I729 S731	V552-W707 HydrophobicContact CG2-CB 3.82Å; V552-W707 HydrophobicContact CG2-CG 4.36Å; T680-W707 HydrophobicContact CG2-CE3 3.69Å; T680-W707 HydrophobicContact CG2-CZ3 4.05Å; F684-W707 HydrophobicContact CD2-CZ3 4.45Å; V705-W707 PolarHBondContact O-N 2.04Å; W707-N709 HydrophobicContact CZ2-CB 4.44Å; W707-N709 PolarHBondContact NE1-O 3.32Å; W707-V711 PolarHBondContact NE1-O 3.08Å; W707-P713 HydrophobicContact CD2-CB 4.36Å; W707-P713 HydrophobicContact CD2-CG 4.1Å; W707-P713 HydrophobicContact CE3-CB 4.41Å; W707-P713 HydrophobicContact CE3-CG 4.32Å; W707-P713 HydrophobicContact CH2-CB 3.77Å; W707-P713 HydrophobicContact CZ2-CB 3.68Å; W707-P713 HydrophobicContact CZ2-CG 4.27Å; W707-P713 HydrophobicContact CZ3-CB 4.13Å; W707-V728 HydrophobicContact CB-CG1 4.29Å; W707-I729 VanDerWaalsContact CB-O 3.27Å; W707-I729 WeakPolarHBondContact CB-O 3.44Å; W707-I729 PolarHBondContact N-O 2.8Å; W707-S731 WeakPolarHBondContact O-CB 3.39Å; W707-S731 PolarHBondContact O-N 3.07Å; W707-S731 PolarHBondContact O-OG 3.02Å
708	N	94.9	Very high	92.8	Very high	2 Å²	2	29 Å²	29	1%	0.011	17%	0.172	C	C	.	.			trans	-86.7	-12.2	-170.4	-147.3	25.4	0	0	0	113.1	L679 T680 Y681 V706 P710 N733 N734 S735 N738	L679-N708 HydrophobicContact CD1-CB 3.77Å; L679-N708 HydrophobicContact CG-CB 4.28Å; T680-N708 WeakPolarHBondContact O-CB 3.41Å; T680-N708 PolarHBondContact O-N 2.83Å; Y681-N708 HydrophobicContact CD2-CB 4.4Å; V706-N708 PolarHBondContact O-N 3.49Å; V706-N708 VanDerWaalsContact O-N 3.13Å; N708-P710 WeakPolarHBondContact O-CD 3.18Å; N708-N733 PolarHBondContact OD1-O 2.85Å; N708-N734 PolarHBondContact ND2-OD1 3.05Å; N708-N734 WeakPolarHBondContact O-CA 3.44Å; N708-S735 PolarHBondContact ND2-N 2.77Å; N708-S735 PolarHBondContact ND2-O 2.87Å; N708-S735 VanDerWaalsContact ND2-O 3.09Å; N708-S735 PolarHBondContact OD1-N 2.94Å; N708-S735 PolarHBondContact OD1-O 3.14Å; N708-N738 PolarHBondContact OD1-ND2 3.43Å
709	N	90.9	Very high	93.1	Very high	18 Å²	18	29 Å²	29	10%	0.096	17%	0.172	C	C	.	.	S	Bend	trans	-75.7	126.5	173	-173.3	-15.4	0	0	0	109.6	Y681 D682 W707 V711	Y681-N709 HydrophobicContact CD2-CB 3.92Å; Y681-N709 HydrophobicContact CE2-CB 3.85Å; D682-N709 PolarHBondContact OD1-ND2 3.34Å; D682-N709 PolarHBondContact OD2-ND2 3.05Å; W707-N709 HydrophobicContact CZ2-CB 4.44Å; W707-N709 PolarHBondContact NE1-O 3.32Å; N709-V711 PolarHBondContact O-N 3.46Å; N709-V711 PolarHBondContact OD1-N 3.09Å
710	P	85.6	Confident	93.2	Very high	50 Å²	50	29 Å²	29	33%	0.325	17%	0.172	S	C	.	.	S	Bend	trans	-56	-28.6	173	-26.8	35.5	0	0	0	113.6	N708 R730	N708-P710 WeakPolarHBondContact O-CD 3.18Å; P710-R730 PolarHBondContact O-NE 3.43Å; P710-R730 PolarHBondContact O-NH2 3.01Å
711	V	88.9	Confident	93.2	Very high	95 Å²	95	33.7 Å²	33.7	58%	0.576	19%	0.194	S	C	*	.	S	Bend	trans	-82.1	124.3	172.6	-176.9	0	0	0	0	108.7	W707 N709	W707-V711 PolarHBondContact NE1-O 3.08Å; N709-V711 PolarHBondContact O-N 3.46Å; N709-V711 PolarHBondContact OD1-N 3.09Å
712	P	86.6	Confident	93	Very high	55 Å²	55	34.7 Å²	34.7	36%	0.357	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-64.4	151.7	178.1	27.9	-34.2	0	0	0	111.4	V552	V552-P712 HydrophobicContact CG1-CB 4.12Å
713	P	88.1	Confident	92.7	Very high	8 Å²	8	37.5 Å²	37.5	5%	0.052	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-59.3	152.3	172	28.6	-31.6	0	0	0	110.5	V552 Y553 W707 L717	V552-P713 HydrophobicContact CG1-CG 3.54Å; Y553-P713 HydrophobicContact CE1-CG 4.2Å; Y553-P713 WeakPolarHBondContact OH-CG 3.25Å; W707-P713 HydrophobicContact CD2-CB 4.36Å; W707-P713 HydrophobicContact CD2-CG 4.1Å; W707-P713 HydrophobicContact CE3-CB 4.41Å; W707-P713 HydrophobicContact CE3-CG 4.32Å; W707-P713 HydrophobicContact CH2-CB 3.77Å; W707-P713 HydrophobicContact CZ2-CB 3.68Å; W707-P713 HydrophobicContact CZ2-CG 4.27Å; W707-P713 HydrophobicContact CZ3-CB 4.13Å; P713-L717 HydrophobicContact CB-CD1 3.93Å
714	N	89.1	Confident	92.5	Very high	87 Å²	87	38.3 Å²	38.3	47%	0.465	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-59	125.2	176.1	177.8	-11.9	0	0	0	109.6	D716 L717	N714-D716 PolarHBondContact O-N 3.32Å; N714-D716 VanDerWaalsContact O-N 3.08Å; N714-D716 PolarHBondContact OD1-N 3.31Å; N714-L717 HydrophobicContact CB-CD1 4.17Å; N714-L717 HydrophobicContact CB-CG 4.05Å; N714-L717 VanDerWaalsContact O-CB 3.27Å; N714-L717 WeakPolarHBondContact O-CB 3.49Å; N714-L717 VanDerWaalsContact O-CG 3.29Å; N714-L717 WeakPolarHBondContact O-CG 3.43Å; N714-L717 PolarHBondContact O-N 3.45Å
715	P	87.3	Confident	92.4	Very high	79 Å²	79	40 Å²	40	51%	0.513	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-15.2	-178.5	24	-34.1	0	0	0	114.6	Y553 L717	Y553-P715 HydrophobicContact CE1-CB 4.48Å; P715-L717 VanDerWaalsContact C-N 3.33Å
716	D	88.9	Confident	92.4	Very high	99 Å²	99	40.1 Å²	40.1	53%	0.529	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.4	174.2	-70.4	-43.1	0	0	0	114.2	K560 N714 S718	K560-D716 IonicContact NZ-OD1 3.81Å; K560-D716 PolarHBondContact NZ-OD1 3.25Å; N714-D716 PolarHBondContact O-N 3.32Å; N714-D716 VanDerWaalsContact O-N 3.08Å; N714-D716 PolarHBondContact OD1-N 3.31Å; D716-S718 PolarHBondContact O-N 2.02Å
717	L	91.2	Very high	92.4	Very high	49 Å²	49	41.2 Å²	41.2	26%	0.257	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-62.8	128.8	175.4	-69	172.7	0	0	0	110.2	F684 P713 N714 P715	F684-L717 HydrophobicContact CD1-CB 4.35Å; F684-L717 HydrophobicContact CD1-CD1 3.96Å; F684-L717 HydrophobicContact CD1-CD2 3.78Å; F684-L717 HydrophobicContact CD1-CG 4.24Å; F684-L717 HydrophobicContact CD2-CD1 4.16Å; F684-L717 HydrophobicContact CE1-CB 3.77Å; F684-L717 HydrophobicContact CE1-CD1 4.23Å; F684-L717 HydrophobicContact CE1-CD2 3.83Å; F684-L717 HydrophobicContact CE1-CG 4.14Å; F684-L717 HydrophobicContact CE2-CB 4.33Å; F684-L717 HydrophobicContact CE2-CD1 4.44Å; F684-L717 HydrophobicContact CG-CD1 3.91Å; F684-L717 HydrophobicContact CZ-CB 3.76Å; F684-L717 HydrophobicContact CZ-CD1 4.46Å; F684-L717 HydrophobicContact CZ-CG 4.49Å; P713-L717 HydrophobicContact CB-CD1 3.93Å; N714-L717 HydrophobicContact CB-CD1 4.17Å; N714-L717 HydrophobicContact CB-CG 4.05Å; N714-L717 VanDerWaalsContact O-CB 3.27Å; N714-L717 WeakPolarHBondContact O-CB 3.49Å; N714-L717 VanDerWaalsContact O-CG 3.29Å; N714-L717 WeakPolarHBondContact O-CG 3.43Å; N714-L717 PolarHBondContact O-N 3.45Å; P715-L717 VanDerWaalsContact C-N 3.33Å
718	S	94.4	Very high	92.5	Very high	52 Å²	52	40.9 Å²	40.9	36%	0.364	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-94.4	131.9	178.4	-59.6	0	0	0	0	109.3	Y562 F684 D716	Y562-S718 VanDerWaalsContact CE1-O 3.25Å; Y562-S718 WeakPolarHBondContact CE1-O 3.36Å; F684-S718 WeakPolarHBondContact CZ-O 3.5Å; D716-S718 PolarHBondContact O-N 2.02Å
719	W	95.9	Very high	92.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	151.4	-177.1	-67.6	65.3	0	0	0	111.2	Y553 P558 K560 Q561 Y562 F684 L687 L691 V705 Q721 I726 V728	Y553-W719 PolarHBondContact OH-NE1 3.29Å; P558-W719 HydrophobicContact CB-CB 3.82Å; P558-W719 VanDerWaalsContact CB-CD1 3.4Å; P558-W719 HydrophobicContact CB-CD2 3.91Å; P558-W719 HydrophobicContact CB-CG 3.41Å; P558-W719 VanDerWaalsContact CB-CG 3.41Å; P558-W719 HydrophobicContact CG-CB 3.92Å; P558-W719 HydrophobicContact CG-CD2 3.61Å; P558-W719 HydrophobicContact CG-CE3 4.05Å; P558-W719 HydrophobicContact CG-CG 3.56Å; K560-W719 PolarHBondContact O-N 2.72Å; Q561-W719 CarbonylContact C-O 3.55Å; Q561-W719 WeakPolarHBondContact CA-O 3.32Å; Q561-W719 WeakPolarHBondContact CB-O 3.41Å; Y562-W719 VanDerWaalsContact CD1-C 3.42Å; Y562-W719 WeakPolarHBondContact CD1-O 3.33Å; Y562-W719 PolarHBondContact N-O 2.78Å; F684-W719 HydrophobicContact CD2-CH2 4.36Å; F684-W719 HydrophobicContact CD2-CZ2 4.12Å; F684-W719 AromaticContact CE2-CD2 3.66Å; F684-W719 HydrophobicContact CE2-CD2 3.66Å; F684-W719 AromaticContact CE2-CE2 3.36Å; F684-W719 HydrophobicContact CE2-CE3 4.07Å; F684-W719 HydrophobicContact CE2-CG 4.17Å; F684-W719 AromaticContact CE2-CH2 3.95Å; F684-W719 HydrophobicContact CE2-CH2 3.95Å; F684-W719 AromaticContact CE2-CZ2 3.54Å; F684-W719 HydrophobicContact CE2-CZ2 3.54Å; F684-W719 HydrophobicContact CE2-CZ3 4.19Å; F684-W719 AromaticContact CE2-NE1 3.64Å; F684-W719 AromaticContact CZ-CD1 3.96Å; F684-W719 HydrophobicContact CZ-CD2 4.1Å; F684-W719 HydrophobicContact CZ-CG 4.12Å; F684-W719 AromaticContact CZ-NE1 3.87Å; L687-W719 HydrophobicContact CD2-CH2 3.9Å; L687-W719 HydrophobicContact CD2-CZ3 3.74Å; L691-W719 HydrophobicContact CD1-CE3 3.88Å; L691-W719 HydrophobicContact CD1-CZ3 3.95Å; V705-W719 HydrophobicContact CB-CZ3 4.5Å; V705-W719 HydrophobicContact CG1-CH2 4.15Å; V705-W719 HydrophobicContact CG1-CZ3 4.24Å; V705-W719 HydrophobicContact CG2-CZ3 4.19Å; W719-Q721 PolarHBondContact O-N 2.71Å; W719-I726 HydrophobicContact CE3-CG2 4.21Å; W719-I726 HydrophobicContact CZ3-CG2 4.36Å; W719-V728 HydrophobicContact CE3-CG2 4.39Å; W719-V728 HydrophobicContact CH2-CG1 3.91Å; W719-V728 HydrophobicContact CH2-CG2 3.75Å; W719-V728 HydrophobicContact CZ2-CG1 4.23Å; W719-V728 HydrophobicContact CZ2-CG2 4.05Å; W719-V728 HydrophobicContact CZ3-CG2 3.94Å
720	P	95.3	Very high	92.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	132	177.2	21.6	-30.2	0	0	0	111.2	Y562 I564 L691 E692 L722 I726	Y562-P720 HydrophobicContact CE1-CB 4.3Å; Y562-P720 VanDerWaalsContact CE1-N 3.29Å; Y562-P720 HydrophobicContact CE2-CB 4.12Å; I564-P720 HydrophobicContact CD1-CB 3.76Å; I564-P720 HydrophobicContact CG1-CB 4Å; L691-P720 HydrophobicContact CB-CG 3.62Å; L691-P720 HydrophobicContact CD1-CG 4.11Å; E692-P720 HydrophobicContact CG-CB 3.72Å; E692-P720 HydrophobicContact CG-CG 4.24Å; P720-L722 PolarHBondContact O-N 2.82Å; P720-I726 HydrophobicContact CG-CD1 4.48Å; P720-I726 VanDerWaalsContact O-CD1 3.23Å; P720-I726 WeakPolarHBondContact O-CD1 3.3Å
721	Q	95.3	Very high	92.9	Very high	102 Å²	102	43.2 Å²	43.2	48%	0.477	23%	0.234	S	C	.	.			trans	-80.2	113.5	174.1	-173.1	176	14.9	0	0	110.2	Q561 Y562 I564 W719	Q561-Q721 HydrophobicContact CB-CB 4.14Å; Y562-Q721 WeakPolarHBondContact O-CB 3.32Å; Y562-Q721 PolarHBondContact O-N 3.14Å; I564-Q721 WeakPolarHBondContact CD1-O 3.26Å; W719-Q721 PolarHBondContact O-N 2.71Å
722	L	93	Very high	92.8	Very high	21 Å²	21	45.5 Å²	45.5	11%	0.11	24%	0.238	C	C	.	.			trans	-105.9	168.4	178.3	-58	177.7	0	0	0	111.7	I564 L691 L695 I703 P720 V724 I726	I564-L722 HydrophobicContact CD1-CD2 3.47Å; I564-L722 VanDerWaalsContact CD1-CD2 3.47Å; L691-L722 WeakPolarHBondContact O-CD2 3.45Å; L695-L722 HydrophobicContact CB-CD2 3.85Å; L695-L722 HydrophobicContact CD1-CD2 4.1Å; I703-L722 HydrophobicContact CD1-CD1 3.34Å; P720-L722 PolarHBondContact O-N 2.82Å; L722-V724 HydrophobicContact CB-CG2 4.41Å; L722-V724 PolarHBondContact O-N 2.65Å; L722-I726 HydrophobicContact CD1-CD1 3.84Å; L722-I726 HydrophobicContact CD1-CG1 3.95Å; L722-I726 HydrophobicContact CG-CD1 4.13Å
723	H	91.7	Very high	93	Very high	61 Å²	61	46.7 Å²	46.7	28%	0.282	24%	0.242	S	C	.	.	S	Bend	trans	-72.9	-12.1	174.6	66	-69.1	0	0	0	113.5	I581 F694 N696 L697	I581-H723 WeakPolarHBondContact CG2-CD2 3.37Å; F694-H723 PolarHBondContact O-CE1 3.3Å; N696-H723 VanDerWaalsContact CA-CE1 3.43Å; N696-H723 WeakPolarHBondContact CA-CE1 3.09Å; N696-H723 WeakPolarHBondContact CA-ND1 3.17Å; N696-H723 PolarHBondContact N-CE1 3.05Å; N696-H723 PolarHBondContact N-ND1 2.68Å; L697-H723 PolarHBondContact N-CE1 3.47Å; L697-H723 PolarHBondContact O-NE2 3.01Å
724	V	95.1	Very high	93.3	Very high	17 Å²	17	48.9 Å²	48.9	10%	0.103	25%	0.253	C	S	.	.	S	Bend	trans	-121.2	156.7	176.9	-70.8	0	0	0	0	110.8	L700 I703 L722 I726	L700-V724 HydrophobicContact CD2-CG2 3.51Å; L700-V724 HydrophobicContact CG-CG1 4.27Å; L700-V724 HydrophobicContact CG-CG2 3.85Å; L700-V724 VanDerWaalsContact O-CG1 3.28Å; L700-V724 WeakPolarHBondContact O-CG1 3.42Å; I703-V724 HydrophobicContact CD1-CG2 4.34Å; L722-V724 HydrophobicContact CB-CG2 4.41Å; L722-V724 PolarHBondContact O-N 2.65Å; V724-I726 PolarHBondContact O-N 2.76Å
725	P	96.8	Very high	93.6	Very high	37 Å²	37	44.9 Å²	44.9	24%	0.24	23%	0.232	C	C	.	.			trans	-67.6	132.4	177.4	26.8	-34.4	0	0	0	112.3	I703	I703-P725 PolarHBondContact N-O 3.31Å; I703-P725 VanDerWaalsContact N-O 3.08Å
726	I	97.9	Very high	94	Very high	3 Å²	3	42 Å²	42	2%	0.015	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117.8	162.3	-58.3	168.2	0	0	0	107.2	P558 L691 V705 W719 P720 L722 V724 V728	P558-I726 VanDerWaalsContact CD-O 3.25Å; P558-I726 WeakPolarHBondContact CD-O 3.25Å; P558-I726 HydrophobicContact CG-CB 4.43Å; P558-I726 HydrophobicContact CG-CG2 4.25Å; L691-I726 HydrophobicContact CD1-CD1 4.32Å; V705-I726 HydrophobicContact CG2-CG2 3.91Å; W719-I726 HydrophobicContact CE3-CG2 4.21Å; W719-I726 HydrophobicContact CZ3-CG2 4.36Å; P720-I726 HydrophobicContact CG-CD1 4.48Å; P720-I726 VanDerWaalsContact O-CD1 3.23Å; P720-I726 WeakPolarHBondContact O-CD1 3.3Å; L722-I726 HydrophobicContact CD1-CD1 3.84Å; L722-I726 HydrophobicContact CD1-CG1 3.95Å; L722-I726 HydrophobicContact CG-CD1 4.13Å; V724-I726 PolarHBondContact O-N 2.76Å; I726-V728 HydrophobicContact CG2-CG2 4.02Å
727	K	97.7	Very high	94.4	Very high	24 Å²	24	37.6 Å²	37.6	10%	0.104	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	120.2	175.2	-60.5	-179.5	-175.1	179.1	0	108	F556 I703 L704 V705 L745 E747	F556-K727 HydrophobicContact CB-CB 4.2Å; F556-K727 HydrophobicContact CB-CG 4.44Å; F556-K727 CarbonylContact O-C 3.54Å; F556-K727 WeakPolarHBondContact O-CA 3.45Å; I703-K727 PolarHBondContact O-N 3.28Å; L704-K727 CarbonylContact C-O 3.52Å; L704-K727 WeakPolarHBondContact CA-O 2.97Å; L704-K727 HydrophobicContact CD1-CB 4.06Å; V705-K727 PolarHBondContact N-O 3.28Å; K727-L745 HydrophobicContact CB-CD1 4.34Å; K727-L745 HydrophobicContact CD-CB 4.09Å; K727-L745 HydrophobicContact CD-CD1 4.17Å; K727-L745 HydrophobicContact CD-CD2 4.32Å; K727-L745 HydrophobicContact CD-CG 4.43Å; K727-L745 PolarHBondContact NZ-O 3.1Å; K727-E747 IonicContact NZ-OE1 3.37Å; K727-E747 PolarHBondContact NZ-OE1 2.91Å
728	V	97.2	Very high	94.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122	-177.9	-163.2	0	0	0	0	109.9	V552 F556 P558 V705 W707 W719 I726	V552-V728 HydrophobicContact CB-CB 4.36Å; V552-V728 HydrophobicContact CB-CG1 4.07Å; V552-V728 HydrophobicContact CG2-CB 4.26Å; V552-V728 HydrophobicContact CG2-CG1 3.61Å; V552-V728 PolarHBondContact N-O 3.08Å; F556-V728 PolarHBondContact O-N 3.34Å; P558-V728 HydrophobicContact CG-CG2 3.79Å; V705-V728 HydrophobicContact CB-CG1 4.17Å; V705-V728 HydrophobicContact CB-CG2 4.33Å; V705-V728 HydrophobicContact CG1-CG1 4.15Å; V705-V728 WeakPolarHBondContact O-CA 3.34Å; W707-V728 HydrophobicContact CB-CG1 4.29Å; W719-V728 HydrophobicContact CE3-CG2 4.39Å; W719-V728 HydrophobicContact CH2-CG1 3.91Å; W719-V728 HydrophobicContact CH2-CG2 3.75Å; W719-V728 HydrophobicContact CZ2-CG1 4.23Å; W719-V728 HydrophobicContact CZ2-CG2 4.05Å; W719-V728 HydrophobicContact CZ3-CG2 3.94Å; I726-V728 HydrophobicContact CG2-CG2 4.02Å
729	I	95.9	Very high	94.8	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.3	-177.5	63.3	165.9	0	0	0	111.8	L550 V552 F556 L704 V705 V706 W707 Y743 L745	L550-I729 CarbonylContact O-C 3.53Å; L550-I729 VanDerWaalsContact O-CA 3.24Å; L550-I729 WeakPolarHBondContact O-CA 3.4Å; V552-I729 WeakPolarHBondContact CG2-O 3.33Å; F556-I729 HydrophobicContact CD1-CG2 3.88Å; F556-I729 HydrophobicContact CE1-CG2 3.99Å; L704-I729 HydrophobicContact CD1-CB 4.45Å; L704-I729 HydrophobicContact CD1-CD1 4.07Å; L704-I729 HydrophobicContact CD1-CG1 4.02Å; L704-I729 HydrophobicContact CD1-CG2 3.64Å; L704-I729 HydrophobicContact CD2-CD1 4.19Å; L704-I729 HydrophobicContact CG-CD1 4.27Å; L704-I729 HydrophobicContact CG-CG1 4.44Å; V705-I729 PolarHBondContact O-N 3.22Å; V706-I729 HydrophobicContact CB-CG1 4.39Å; V706-I729 HydrophobicContact CG1-CD1 4.38Å; V706-I729 HydrophobicContact CG1-CG1 4.42Å; V706-I729 HydrophobicContact CG2-CD1 4.05Å; V706-I729 HydrophobicContact CG2-CG1 4.26Å; W707-I729 VanDerWaalsContact CB-O 3.27Å; W707-I729 WeakPolarHBondContact CB-O 3.44Å; W707-I729 PolarHBondContact N-O 2.8Å; I729-Y743 HydrophobicContact CD1-CD1 3.53Å; I729-Y743 HydrophobicContact CD1-CD2 4.08Å; I729-Y743 HydrophobicContact CD1-CE1 3.15Å; I729-Y743 HydrophobicContact CD1-CE2 3.73Å; I729-Y743 HydrophobicContact CD1-CG 3.98Å; I729-L745 HydrophobicContact CG2-CD1 3.62Å
730	R	92.7	Very high	94.9	Very high	109 Å²	109	33.7 Å²	33.7	41%	0.411	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	129.1	-179.5	-171.9	174.9	174.3	-169.3	-4.6	110.4	L550 V552 P710	L550-R730 PolarHBondContact O-N 3.4Å; V552-R730 HydrophobicContact CG2-CB 3.83Å; P710-R730 PolarHBondContact O-NE 3.43Å; P710-R730 PolarHBondContact O-NH2 3.01Å
731	S	91.8	Very high	95.1	Very high	7 Å²	7	34.4 Å²	34.4	5%	0.049	17%	0.167	C	C	.	.			trans	-85.7	146.9	169.7	-56.4	0	0	0	0	111.3	V706 W707 N733 N738	V706-S731 WeakPolarHBondContact CG1-OG 3.49Å; W707-S731 WeakPolarHBondContact O-CB 3.39Å; W707-S731 PolarHBondContact O-N 3.07Å; W707-S731 PolarHBondContact O-OG 3.02Å; S731-N733 WeakPolarHBondContact CB-O 3.32Å; S731-N738 WeakPolarHBondContact CB-ND2 3.49Å; S731-N738 PolarHBondContact OG-ND2 3.1Å
732	Q	87	Confident	95.2	Very high	143 Å²	143	29.5 Å²	29.5	67%	0.668	14%	0.144	S	C	*	.	S	Bend	trans	-74.7	-28.9	176.7	-65.6	-65.1	-13.8	0	0	112.5
733	N	91.6	Very high	95.4	Very high	81 Å²	81	28.8 Å²	28.8	43%	0.433	14%	0.14	S	C	.	.	S	Bend	trans	-142.4	159.8	-179.5	59.2	1.8	0	0	0	110.3	N708 S731 S735 N738	N708-N733 PolarHBondContact OD1-O 2.85Å; S731-N733 WeakPolarHBondContact CB-O 3.32Å; N733-S735 PolarHBondContact O-N 2.94Å; N733-N738 PolarHBondContact O-ND2 2.82Å
734	N	93.2	Very high	95.6	Very high	53 Å²	53	28.7 Å²	28.7	28%	0.283	14%	0.142	S	C	.	.			trans	-78	99.9	172	-176.6	12.3	0	0	0	109.2	Y681 N708 F840	Y681-N734 HydrophobicContact CD2-CB 4.39Å; Y681-N734 HydrophobicContact CE2-CB 4.06Å; Y681-N734 VanDerWaalsContact CE2-ND2 3.25Å; Y681-N734 WeakPolarHBondContact CE2-ND2 3.29Å; N708-N734 PolarHBondContact ND2-OD1 3.05Å; N708-N734 WeakPolarHBondContact O-CA 3.44Å; N734-F840 WeakPolarHBondContact OD1-CZ 3.13Å
735	S	96	Very high	95.7	Very high	3 Å²	3	29 Å²	29	2%	0.021	14%	0.143	C	C	.	.			trans	-141.2	133	-176.4	147.7	0	0	0	0	110.5	N708 N733 N737 N738 N837	N708-S735 PolarHBondContact ND2-N 2.77Å; N708-S735 PolarHBondContact ND2-O 2.87Å; N708-S735 VanDerWaalsContact ND2-O 3.09Å; N708-S735 PolarHBondContact OD1-N 2.94Å; N708-S735 PolarHBondContact OD1-O 3.14Å; N733-S735 PolarHBondContact O-N 2.94Å; S735-N737 PolarHBondContact O-N 2.84Å; S735-N737 WeakPolarHBondContact OG-CB 3.35Å; S735-N737 PolarHBondContact OG-N 2.73Å; S735-N738 WeakPolarHBondContact O-CB 3.41Å; S735-N738 VanDerWaalsContact O-CG 3.3Å; S735-N738 PolarHBondContact O-N 2.93Å; S735-N738 PolarHBondContact O-ND2 2.76Å; S735-N738 PolarHBondContact OG-OD1 2.89Å; S735-N837 WeakPolarHBondContact CB-OD1 3.13Å; S735-N837 PolarHBondContact OG-OD1 3.12Å
736	L	95.7	Very high	95.8	Very high	19 Å²	19	27.3 Å²	27.3	10%	0.099	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-69.3	-23.3	176.6	-60.1	-178.9	0	0	0	112.1	L679 N738 V836 F840 E843 L877	L679-L736 HydrophobicContact CD2-CD2 4.02Å; L736-N738 PolarHBondContact O-N 2.59Å; L736-V836 HydrophobicContact CB-CG1 4.33Å; L736-F840 HydrophobicContact CD2-CE1 4.48Å; L736-F840 HydrophobicContact CD2-CZ 4.33Å; L736-F840 HydrophobicContact CG-CZ 4.48Å; L736-E843 HydrophobicContact CB-CB 4.17Å; L736-E843 HydrophobicContact CB-CG 4.03Å; L736-E843 WeakPolarHBondContact CD1-OE2 3.23Å; L736-L877 HydrophobicContact CD1-CD2 3.97Å
737	N	97.2	Very high	95.7	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.037	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-63.3	-21	175.5	-64.3	-73.3	0	0	0	112.7	S735 R739 F740 Y824 R833 V836 N837	S735-N737 PolarHBondContact O-N 2.84Å; S735-N737 WeakPolarHBondContact OG-CB 3.35Å; S735-N737 PolarHBondContact OG-N 2.73Å; N737-R739 PolarHBondContact O-N 2.96Å; N737-R739 VanDerWaalsContact O-N 3.1Å; N737-F740 PolarHBondContact O-N 3.29Å; N737-Y824 HydrophobicContact CB-CE1 4.31Å; N737-Y824 WeakPolarHBondContact OD1-CE1 3.25Å; N737-Y824 PolarHBondContact OD1-OH 3.01Å; N737-R833 PolarHBondContact ND2-O 2.72Å; N737-V836 WeakPolarHBondContact ND2-CG1 3.25Å; N737-N837 PolarHBondContact ND2-OD1 3.06Å
738	N	97.6	Very high	95.6	Very high	13 Å²	13	29.6 Å²	29.6	7%	0.07	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-62.8	-22	-172.8	-65.3	-14	0	0	0	112.5	L679 V706 N708 S731 N733 S735 L736 F740 L741 Y743	L679-N738 HydrophobicContact CD1-CB 4.18Å; V706-N738 HydrophobicContact CG1-CB 3.97Å; N708-N738 PolarHBondContact OD1-ND2 3.43Å; S731-N738 WeakPolarHBondContact CB-ND2 3.49Å; S731-N738 PolarHBondContact OG-ND2 3.1Å; N733-N738 PolarHBondContact O-ND2 2.82Å; S735-N738 WeakPolarHBondContact O-CB 3.41Å; S735-N738 VanDerWaalsContact O-CG 3.3Å; S735-N738 PolarHBondContact O-N 2.93Å; S735-N738 PolarHBondContact O-ND2 2.76Å; S735-N738 PolarHBondContact OG-OD1 2.89Å; L736-N738 PolarHBondContact O-N 2.59Å; N738-F740 VanDerWaalsContact C-N 3.28Å; N738-F740 PolarHBondContact O-N 2.97Å; N738-L741 HydrophobicContact CB-CD1 4.49Å; N738-Y743 WeakPolarHBondContact O-CE2 3.21Å; N738-Y743 VanDerWaalsContact O-CZ 3.25Å; N738-Y743 PolarHBondContact O-OH 3.19Å
739	R	96.9	Very high	95.6	Very high	6 Å²	6	30.3 Å²	30.3	2%	0.023	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-72	-18.2	175.8	78.5	-171.5	-56.9	165.9	12.9	114.4	V677 L679 N737 S753 I754 D755 T811 E843	V677-R739 HydrophobicContact CG1-CB 4.49Å; L679-R739 HydrophobicContact CB-CB 4.11Å; L679-R739 HydrophobicContact CD2-CB 4.39Å; N737-R739 PolarHBondContact O-N 2.96Å; N737-R739 VanDerWaalsContact O-N 3.1Å; R739-S753 PolarHBondContact NE-OG 3.33Å; R739-S753 PolarHBondContact NH2-OG 3.46Å; R739-I754 VanDerWaalsContact NH2-C 3.32Å; R739-I754 PolarHBondContact NH2-O 3.28Å; R739-I754 VanDerWaalsContact NH2-O 3.16Å; R739-D755 IonicContact CZ-OD1 2.94Å; R739-D755 IonicContact NH1-OD1 3.99Å; R739-D755 PolarHBondContact NH1-OD1 2.94Å; R739-D755 IonicContact NH2-OD1 3.16Å; R739-D755 PolarHBondContact NH2-OD1 3.24Å; R739-T811 PolarHBondContact NH2-O 3.46Å; R739-E843 IonicContact NH1-OE1 2.86Å
740	F	98.1	Very high	95.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-106.4	8.9	-176.1	-59	-48.8	0	0	0	113.9	N737 N738 T811 F816 T821 Y824 E843 M847	N737-F740 PolarHBondContact O-N 3.29Å; N738-F740 VanDerWaalsContact C-N 3.28Å; N738-F740 PolarHBondContact O-N 2.97Å; F740-T811 HydrophobicContact CE1-CG2 4.19Å; F740-T811 HydrophobicContact CZ-CG2 3.83Å; F740-T811 WeakPolarHBondContact CZ-OG1 3.34Å; F740-F816 HydrophobicContact CD1-CE1 4.33Å; F740-F816 AromaticContact CD1-CZ 3.86Å; F740-F816 HydrophobicContact CD1-CZ 3.86Å; F740-F816 HydrophobicContact CE1-CE1 4.04Å; F740-F816 HydrophobicContact CE1-CZ 4.04Å; F740-T821 VanDerWaalsContact O-CA 3.28Å; F740-T821 WeakPolarHBondContact O-CA 3.49Å; F740-T821 WeakPolarHBondContact O-CB 3.42Å; F740-Y824 HydrophobicContact CB-CD1 3.75Å; F740-Y824 HydrophobicContact CB-CE1 4.13Å; F740-Y824 HydrophobicContact CB-CG 4.01Å; F740-Y824 HydrophobicContact CD2-CD1 4.28Å; F740-Y824 HydrophobicContact CD2-CD2 4.23Å; F740-Y824 AromaticContact CD2-CE1 3.95Å; F740-Y824 HydrophobicContact CD2-CE1 3.95Å; F740-Y824 AromaticContact CD2-CE2 3.87Å; F740-Y824 HydrophobicContact CD2-CE2 3.87Å; F740-Y824 HydrophobicContact CD2-CG 4.43Å; F740-Y824 AromaticContact CD2-CZ 3.74Å; F740-Y824 HydrophobicContact CE2-CE2 4.33Å; F740-Y824 HydrophobicContact CG-CD1 4.44Å; F740-Y824 HydrophobicContact CG-CG 4.49Å; F740-E843 HydrophobicContact CD2-CB 4.47Å; F740-E843 HydrophobicContact CE2-CB 3.84Å; F740-E843 HydrophobicContact CE2-CG 3.67Å; F740-E843 HydrophobicContact CZ-CG 4.28Å; F740-M847 HydrophobicContact CE1-CG 4.44Å; F740-M847 HydrophobicContact CE2-CB 4.3Å; F740-M847 HydrophobicContact CZ-CB 4.21Å; F740-M847 HydrophobicContact CZ-CG 4.36Å
741	L	98	Very high	96	Very high	14 Å²	14	25 Å²	25	7%	0.073	13%	0.127	C	C	.	.	S	Bend	trans	-70.4	142.9	176.8	-64	174.6	0	0	0	110.5	W547 N738 Y743 T825	W547-L741 HydrophobicContact CB-CB 4.18Å; W547-L741 HydrophobicContact CD2-CB 4.38Å; W547-L741 HydrophobicContact CD2-CD1 3.9Å; W547-L741 HydrophobicContact CD2-CD2 4.13Å; W547-L741 HydrophobicContact CD2-CG 4.37Å; W547-L741 HydrophobicContact CE3-CD1 4.47Å; W547-L741 HydrophobicContact CE3-CD2 3.92Å; W547-L741 HydrophobicContact CG-CB 4.09Å; W547-L741 HydrophobicContact CG-CD1 4.14Å; W547-L741 HydrophobicContact CZ2-CD1 4.12Å; W547-L741 HydrophobicContact CZ3-CD2 4.15Å; N738-L741 HydrophobicContact CB-CD1 4.49Å; L741-Y743 HydrophobicContact CB-CD1 4.41Å; L741-Y743 HydrophobicContact CB-CD2 4.26Å; L741-Y743 HydrophobicContact CB-CE1 3.98Å; L741-Y743 HydrophobicContact CB-CE2 3.84Å; L741-Y743 HydrophobicContact CD1-CE1 4.15Å; L741-Y743 VanDerWaalsContact O-CD2 3.24Å; L741-Y743 WeakPolarHBondContact O-CD2 3.32Å; L741-Y743 PolarHBondContact O-N 3.28Å; L741-T825 HydrophobicContact CD2-CG2 3.98Å
742	P	97.3	Very high	96.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.			trans	-78.1	65.7	-179.3	32.5	-36.8	0	0	0	110.7	Q546 W547 D744 T821 F822 T825	Q546-P742 WeakPolarHBondContact CA-O 3.5Å; W547-P742 HydrophobicContact CB-CG 4.35Å; W547-P742 PolarHBondContact N-O 2.61Å; P742-D744 PolarHBondContact O-N 2.89Å; P742-T821 WeakPolarHBondContact CA-OG1 2.89Å; P742-T821 WeakPolarHBondContact CB-OG1 3.5Å; P742-F822 HydrophobicContact CB-CD1 3.65Å; P742-F822 HydrophobicContact CB-CD2 4.02Å; P742-F822 HydrophobicContact CB-CE1 3.64Å; P742-F822 HydrophobicContact CB-CE2 4.02Å; P742-F822 HydrophobicContact CB-CG 3.84Å; P742-F822 HydrophobicContact CB-CZ 3.83Å; P742-F822 HydrophobicContact CG-CD1 4.04Å; P742-F822 HydrophobicContact CG-CE1 4.25Å; P742-F822 HydrophobicContact CG-CG 4.47Å; P742-T825 VanDerWaalsContact CD-OG1 3.28Å; P742-T825 WeakPolarHBondContact CD-OG1 3.14Å
743	Y	98.3	Very high	96.9	Very high	6 Å²	6	17.9 Å²	17.9	2%	0.024	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-56.8	133.8	-177.3	-64.5	-68.2	0	0	0	111.9	W547 S549 L704 V706 I729 N738 L741 L745 I746	W547-Y743 HydrophobicContact CB-CD1 4.24Å; W547-Y743 AromaticContact CD1-CD1 3.79Å; W547-Y743 AromaticContact CD1-CE1 3.6Å; W547-Y743 HydrophobicContact CG-CD1 4.32Å; W547-Y743 HydrophobicContact CG-CE1 4.31Å; W547-Y743 WeakPolarHBondContact O-CA 3.3Å; S549-Y743 WeakPolarHBondContact OG-CD1 3.32Å; L704-Y743 HydrophobicContact CD2-CD2 3.48Å; L704-Y743 VanDerWaalsContact CD2-CD2 3.48Å; L704-Y743 HydrophobicContact CD2-CE2 4.15Å; L704-Y743 HydrophobicContact CD2-CG 3.84Å; V706-Y743 HydrophobicContact CG2-CE2 3.98Å; I729-Y743 HydrophobicContact CD1-CD1 3.53Å; I729-Y743 HydrophobicContact CD1-CD2 4.08Å; I729-Y743 HydrophobicContact CD1-CE1 3.15Å; I729-Y743 HydrophobicContact CD1-CE2 3.73Å; I729-Y743 HydrophobicContact CD1-CG 3.98Å; N738-Y743 WeakPolarHBondContact O-CE2 3.21Å; N738-Y743 VanDerWaalsContact O-CZ 3.25Å; N738-Y743 PolarHBondContact O-OH 3.19Å; L741-Y743 HydrophobicContact CB-CD1 4.41Å; L741-Y743 HydrophobicContact CB-CD2 4.26Å; L741-Y743 HydrophobicContact CB-CE1 3.98Å; L741-Y743 HydrophobicContact CB-CE2 3.84Å; L741-Y743 HydrophobicContact CD1-CE1 4.15Å; L741-Y743 VanDerWaalsContact O-CD2 3.24Å; L741-Y743 WeakPolarHBondContact O-CD2 3.32Å; L741-Y743 PolarHBondContact O-N 3.28Å; Y743-L745 PolarHBondContact O-N 2.99Å; Y743-I746 HydrophobicContact CD2-CD1 4.16Å; Y743-I746 PolarHBondContact O-N 3.5Å; Y743-I746 VanDerWaalsContact O-N 3.14Å
744	D	96	Very high	97.1	Very high	59 Å²	59	14 Å²	14	32%	0.316	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.5	173.9	56.5	-5	0	0	0	113.5	Q546 W547 S549 P742	Q546-D744 HydrophobicContact CB-CB 4.23Å; W547-D744 PolarHBondContact O-N 3.4Å; W547-D744 VanDerWaalsContact O-N 3.08Å; S549-D744 WeakPolarHBondContact CB-OD1 3.21Å; S549-D744 PolarHBondContact N-OD1 2.95Å; S549-D744 VanDerWaalsContact N-OD1 3.08Å; S549-D744 PolarHBondContact N-OD2 3.07Å; S549-D744 PolarHBondContact OG-OD1 3.41Å; P742-D744 PolarHBondContact O-N 2.89Å
745	L	97.3	Very high	97.2	Very high	23 Å²	23	13.3 Å²	13.3	12%	0.12	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-13.1	177.2	-62.6	178.7	0	0	0	115.2	S549 F556 L704 K727 I729 Y743 E747	S549-L745 WeakPolarHBondContact OG-CG 3.4Å; F556-L745 HydrophobicContact CD1-CD1 3.57Å; F556-L745 HydrophobicContact CD2-CD1 4.29Å; F556-L745 HydrophobicContact CD2-CD2 4.11Å; F556-L745 HydrophobicContact CE1-CD1 3.63Å; F556-L745 HydrophobicContact CE2-CD1 4.35Å; F556-L745 HydrophobicContact CE2-CD2 3.94Å; F556-L745 HydrophobicContact CG-CD1 3.91Å; F556-L745 HydrophobicContact CZ-CD1 4.03Å; F556-L745 HydrophobicContact CZ-CD2 4.21Å; F556-L745 HydrophobicContact CZ-CG 4.49Å; L704-L745 HydrophobicContact CD1-CB 4.4Å; L704-L745 HydrophobicContact CD1-CD1 3.97Å; K727-L745 HydrophobicContact CB-CD1 4.34Å; K727-L745 HydrophobicContact CD-CB 4.09Å; K727-L745 HydrophobicContact CD-CD1 4.17Å; K727-L745 HydrophobicContact CD-CD2 4.32Å; K727-L745 HydrophobicContact CD-CG 4.43Å; K727-L745 PolarHBondContact NZ-O 3.1Å; I729-L745 HydrophobicContact CG2-CD1 3.62Å; Y743-L745 PolarHBondContact O-N 2.99Å; L745-E747 PolarHBondContact O-N 3.21Å
746	I	97.9	Very high	97	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.01	7%	0.067	C	C	.	.			trans	-81.9	109.7	177.5	-62.6	172.1	0	0	0	108.1	T675 V677 L704 Y743 I751 K818	T675-I746 HydrophobicContact CG2-CG1 4.4Å; V677-I746 HydrophobicContact CG2-CD1 4.03Å; L704-I746 HydrophobicContact CD2-CD1 4.13Å; L704-I746 HydrophobicContact CD2-CG1 3.9Å; Y743-I746 HydrophobicContact CD2-CD1 4.16Å; Y743-I746 PolarHBondContact O-N 3.5Å; Y743-I746 VanDerWaalsContact O-N 3.14Å; I746-I751 HydrophobicContact CD1-CD1 4.02Å; I746-I751 HydrophobicContact CG2-CD1 4.01Å; I746-I751 HydrophobicContact CG2-CG1 3.94Å; I746-K818 HydrophobicContact CG2-CD 4.19Å; I746-K818 HydrophobicContact CG2-CG 4.49Å; I746-K818 WeakPolarHBondContact O-CE 3.31Å; I746-K818 PolarHBondContact O-NZ 3.11Å
747	E	95.6	Very high	96.8	Very high	74 Å²	74	13.5 Å²	13.5	35%	0.346	7%	0.069	S	C	.	.			trans	-106.2	3	-173.9	-67.8	166.9	-141.9	0	0	113.3	S586 S587 H701 K727 L745	S586-E747 PolarHBondContact OG-OE2 3.28Å; S587-E747 WeakPolarHBondContact CB-O 3.05Å; S587-E747 PolarHBondContact N-O 2.86Å; H701-E747 IonicContact CE1-OE2 2.6Å; H701-E747 PolarHBondContact CE1-OE2 3.11Å; H701-E747 IonicContact NE2-OE2 3.8Å; H701-E747 PolarHBondContact NE2-OE2 3.04Å; K727-E747 IonicContact NZ-OE1 3.37Å; K727-E747 PolarHBondContact NZ-OE1 2.91Å; L745-E747 PolarHBondContact O-N 3.21Å
748	T	96.9	Very high	96.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.			trans	-112.3	151.3	179.8	57.4	0	0	0	0	111.5	Q673 T675 H701 A750	Q673-T748 HydrophobicContact CB-CG2 4.38Å; Q673-T748 WeakPolarHBondContact O-CB 3.27Å; Q673-T748 WeakPolarHBondContact O-CG2 3.32Å; T675-T748 VanDerWaalsContact CB-OG1 3.23Å; T675-T748 WeakPolarHBondContact CB-OG1 3.03Å; T675-T748 PolarHBondContact N-OG1 3.01Å; T675-T748 PolarHBondContact OG1-OG1 3.48Å; H701-T748 HydrophobicContact CB-CG2 3.45Å; H701-T748 VanDerWaalsContact CB-CG2 3.45Å; T748-A750 PolarHBondContact OG1-O 2.95Å
749	D	95.8	Very high	95.8	Very high	15 Å²	15	18 Å²	18	8%	0.08	9%	0.089	C	C	.	.	S	Bend	trans	-74.2	-35.7	173.6	-61.9	-39.4	0	0	0	111.6	S587 S624 W772 H817 K818	S587-D749 VanDerWaalsContact CB-CG 3.48Å; S587-D749 WeakPolarHBondContact CB-OD2 3.45Å; S587-D749 PolarHBondContact OG-N 2.96Å; S587-D749 PolarHBondContact OG-OD2 2.74Å; S624-D749 WeakPolarHBondContact CB-OD1 3.07Å; S624-D749 PolarHBondContact OG-OD1 2.91Å; D749-W772 HydrophobicContact CB-CH2 4.27Å; D749-H817 CarbonylContact O-C 3.54Å; D749-H817 WeakPolarHBondContact O-CA 3.42Å; D749-K818 PolarHBondContact O-N 3.07Å
750	A	98.4	Very high	95.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	128	174.2	0	0	0	0	0	110.7	F674 T675 T748 F769 W772	F674-A750 WeakPolarHBondContact CA-O 3.08Å; F674-A750 HydrophobicContact CB-CB 3.54Å; T675-A750 PolarHBondContact N-O 3.49Å; T675-A750 VanDerWaalsContact N-O 3.11Å; T748-A750 PolarHBondContact OG1-O 2.95Å; A750-F769 HydrophobicContact CB-CD2 4.21Å; A750-F769 HydrophobicContact CB-CE2 3.62Å; A750-W772 VanDerWaalsContact CA-CH2 3.47Å; A750-W772 HydrophobicContact CB-CD2 4.29Å; A750-W772 HydrophobicContact CB-CE3 3.78Å; A750-W772 HydrophobicContact CB-CH2 3.42Å; A750-W772 VanDerWaalsContact CB-CH2 3.42Å; A750-W772 HydrophobicContact CB-CZ2 3.95Å; A750-W772 HydrophobicContact CB-CZ3 3.35Å
751	I	98.8	Very high	95	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.8	170.4	-61.6	171.4	0	0	0	107.9	T675 V677 I746 F815 F816 K818 T821	T675-I751 WeakPolarHBondContact O-CA 3.48Å; V677-I751 HydrophobicContact CB-CG2 4.25Å; V677-I751 HydrophobicContact CG2-CG2 3.69Å; I746-I751 HydrophobicContact CD1-CD1 4.02Å; I746-I751 HydrophobicContact CG2-CD1 4.01Å; I746-I751 HydrophobicContact CG2-CG1 3.94Å; I751-F815 VanDerWaalsContact O-CA 3.25Å; I751-F815 WeakPolarHBondContact O-CA 3.35Å; I751-F816 HydrophobicContact CB-CD2 4.44Å; I751-F816 HydrophobicContact CB-CE2 4.06Å; I751-F816 HydrophobicContact CB-CZ 4.19Å; I751-F816 HydrophobicContact CD1-CE2 3.93Å; I751-F816 HydrophobicContact CG2-CE1 4.31Å; I751-F816 HydrophobicContact CG2-CE2 4.16Å; I751-F816 HydrophobicContact CG2-CZ 3.81Å; I751-F816 PolarHBondContact N-O 3.34Å; I751-F816 PolarHBondContact O-N 2.86Å; I751-K818 HydrophobicContact CD1-CB 4.09Å; I751-K818 HydrophobicContact CD1-CG 4.29Å; I751-T821 HydrophobicContact CD1-CG2 3.61Å
752	L	98.8	Very high	94.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	105.6	163.9	176	55	0	0	0	108.2	F674 T675 I676 V677 I765 F815	F674-L752 HydrophobicContact CD2-CB 4.03Å; F674-L752 HydrophobicContact CE2-CB 4.41Å; F674-L752 HydrophobicContact CE2-CD2 4.15Å; T675-L752 PolarHBondContact O-N 2.71Å; I676-L752 CarbonylContact C-O 3.35Å; I676-L752 VanDerWaalsContact CA-O 3.29Å; I676-L752 WeakPolarHBondContact CA-O 3.46Å; I676-L752 HydrophobicContact CD1-CD2 4.3Å; I676-L752 HydrophobicContact CG1-CB 4.11Å; I676-L752 HydrophobicContact CG1-CD2 4.05Å; I676-L752 HydrophobicContact CG1-CG 4.34Å; V677-L752 PolarHBondContact N-O 2.63Å; L752-I765 HydrophobicContact CD2-CG1 4.48Å; L752-I765 HydrophobicContact CD2-CG2 3.74Å; L752-F815 HydrophobicContact CB-CD1 3.97Å; L752-F815 HydrophobicContact CB-CE1 3.64Å; L752-F815 HydrophobicContact CB-CE2 4.49Å; L752-F815 HydrophobicContact CB-CZ 3.92Å; L752-F815 HydrophobicContact CD1-CD2 3.94Å; L752-F815 HydrophobicContact CD1-CE1 4.44Å; L752-F815 HydrophobicContact CD1-CE2 3.82Å; L752-F815 HydrophobicContact CD1-CG 4.3Å; L752-F815 HydrophobicContact CD1-CZ 4.09Å; L752-F815 HydrophobicContact CD2-CE1 4.41Å; L752-F815 HydrophobicContact CD2-CE2 4.19Å; L752-F815 HydrophobicContact CD2-CZ 3.84Å; L752-F815 HydrophobicContact CG-CE1 4.38Å; L752-F815 HydrophobicContact CG-CE2 4.4Å; L752-F815 HydrophobicContact CG-CZ 4.17Å
753	S	98.6	Very high	94.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	123.5	169.4	174.7	0	0	0	0	108.7	R739 T811 A813 A814	R739-S753 PolarHBondContact NE-OG 3.33Å; R739-S753 PolarHBondContact NH2-OG 3.46Å; S753-T811 CarbonylContact C-O 3.52Å; S753-T811 VanDerWaalsContact CB-O 3.31Å; S753-T811 WeakPolarHBondContact CB-O 3.49Å; S753-T811 VanDerWaalsContact O-O 3.1Å; S753-T811 PolarHBondContact OG-O 3Å; S753-A813 VanDerWaalsContact O-CA 3.31Å; S753-A813 WeakPolarHBondContact O-CA 3.42Å; S753-A814 PolarHBondContact N-O 3.39Å; S753-A814 PolarHBondContact O-N 2.9Å
754	I	96.6	Very high	93.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	145.6	179.1	-156.1	177.5	0	0	0	111	I676 V677 V678 F694 R739 I758 L760 G812 A813	I676-I754 HydrophobicContact CG2-CG2 3.56Å; V677-I754 PolarHBondContact O-N 3.16Å; V678-I754 WeakPolarHBondContact CA-O 3.18Å; V678-I754 HydrophobicContact CG2-CG2 3.77Å; F694-I754 HydrophobicContact CE1-CD1 4.27Å; F694-I754 HydrophobicContact CE2-CG2 4.48Å; F694-I754 HydrophobicContact CZ-CD1 3.87Å; F694-I754 HydrophobicContact CZ-CG2 4.08Å; R739-I754 VanDerWaalsContact NH2-C 3.32Å; R739-I754 PolarHBondContact NH2-O 3.28Å; R739-I754 VanDerWaalsContact NH2-O 3.16Å; I754-I758 HydrophobicContact CD1-CB 3.94Å; I754-I758 HydrophobicContact CD1-CG2 3.88Å; I754-I758 HydrophobicContact CG1-CB 3.81Å; I754-I758 HydrophobicContact CG1-CG1 4.37Å; I754-I758 HydrophobicContact CG1-CG2 4.01Å; I754-L760 HydrophobicContact CD1-CD1 4.19Å; I754-G812 CarbonylContact C-O 3.43Å; I754-G812 WeakPolarHBondContact CA-O 3.46Å; I754-G812 WeakPolarHBondContact CG1-O 3.45Å; I754-A813 HydrophobicContact CG1-CB 4.46Å
755	D	94.7	Very high	93.8	Very high	37 Å²	37	18 Å²	18	20%	0.198	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	155	171.6	-63	-18.9	0	0	0	110.5	R739 D757 I758 G812	R739-D755 IonicContact CZ-OD1 2.94Å; R739-D755 IonicContact NH1-OD1 3.99Å; R739-D755 PolarHBondContact NH1-OD1 2.94Å; R739-D755 IonicContact NH2-OD1 3.16Å; R739-D755 PolarHBondContact NH2-OD1 3.24Å; D755-D757 WeakPolarHBondContact CB-OD1 3.42Å; D755-D757 PolarHBondContact O-N 2.81Å; D755-D757 VanDerWaalsContact O-N 3.16Å; D755-I758 HydrophobicContact CB-CG1 3.76Å; D755-I758 PolarHBondContact O-N 2.87Å; D755-G812 PolarHBondContact N-O 3.22Å; D755-G812 WeakPolarHBondContact OD1-CA 3.35Å; D755-G812 VanDerWaalsContact OD2-CA 3.26Å; D755-G812 WeakPolarHBondContact OD2-CA 3.41Å
756	D	93.1	Very high	93.6	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.011	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-3.1	-175.8	58.9	-19.9	0	0	0	114.1	V678 T680 R683 L687 T690	V678-D756 HydrophobicContact CG1-CB 3.7Å; T680-D756 WeakPolarHBondContact CA-OD2 3.34Å; T680-D756 VanDerWaalsContact CB-OD2 3.28Å; T680-D756 WeakPolarHBondContact CB-OD2 3.42Å; T680-D756 PolarHBondContact OG1-OD2 3.01Å; R683-D756 IonicContact CZ-OD1 3.95Å; R683-D756 IonicContact CZ-OD2 2.71Å; R683-D756 IonicContact NE-OD1 3.38Å; R683-D756 PolarHBondContact NE-OD1 3.36Å; R683-D756 IonicContact NE-OD2 3.4Å; R683-D756 PolarHBondContact NE-OD2 3.29Å; R683-D756 IonicContact NH2-OD1 3.27Å; R683-D756 PolarHBondContact NH2-OD1 3.12Å; R683-D756 IonicContact NH2-OD2 3.57Å; L687-D756 HydrophobicContact CB-CB 4.26Å; L687-D756 HydrophobicContact CD1-CB 3.92Å; T690-D756 WeakPolarHBondContact CB-O 3.41Å; T690-D756 PolarHBondContact OG1-O 3.39Å
757	D	90.1	Very high	93.3	Very high	25 Å²	25	17.3 Å²	17.3	13%	0.134	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	6.9	-179.2	56.4	8.9	0	0	0	114.2	R683 L686 D755 C870	R683-D757 IonicContact CZ-OD2 3.97Å; R683-D757 IonicContact NH1-OD2 3.79Å; R683-D757 PolarHBondContact NH1-OD2 2.92Å; R683-D757 IonicContact NH2-OD2 3.83Å; R683-D757 PolarHBondContact NH2-OD2 3.42Å; L686-D757 HydrophobicContact CD2-CB 3.56Å; L686-D757 HydrophobicContact CG-CB 4.15Å; D755-D757 WeakPolarHBondContact CB-OD1 3.42Å; D755-D757 PolarHBondContact O-N 2.81Å; D755-D757 VanDerWaalsContact O-N 3.16Å; D757-C870 HydrophobicContact CB-CB 4.16Å
758	I	90	Very high	93.3	Very high	13 Å²	13	13.8 Å²	13.8	7%	0.067	6%	0.064	C	C	.	.			trans	-99.7	124.4	-176	-53.9	-64.3	0	0	0	110.8	T690 I754 D755 L760 A813 F868	T690-I758 WeakPolarHBondContact CG2-O 3.41Å; I754-I758 HydrophobicContact CD1-CB 3.94Å; I754-I758 HydrophobicContact CD1-CG2 3.88Å; I754-I758 HydrophobicContact CG1-CB 3.81Å; I754-I758 HydrophobicContact CG1-CG1 4.37Å; I754-I758 HydrophobicContact CG1-CG2 4.01Å; D755-I758 HydrophobicContact CB-CG1 3.76Å; D755-I758 PolarHBondContact O-N 2.87Å; I758-L760 HydrophobicContact CG2-CD1 4.45Å; I758-L760 HydrophobicContact CG2-CG 4.16Å; I758-A813 HydrophobicContact CG2-CB 4.39Å; I758-F868 HydrophobicContact CD1-CB 3.42Å; I758-F868 VanDerWaalsContact CD1-CB 3.42Å; I758-F868 HydrophobicContact CD1-CD2 3.65Å; I758-F868 HydrophobicContact CD1-CG 3.71Å; I758-F868 HydrophobicContact CG1-CD2 4.48Å; I758-F868 HydrophobicContact CG2-CD1 3.98Å; I758-F868 HydrophobicContact CG2-CD2 3.89Å; I758-F868 HydrophobicContact CG2-CE1 4.08Å; I758-F868 HydrophobicContact CG2-CE2 3.95Å; I758-F868 HydrophobicContact CG2-CG 3.89Å; I758-F868 HydrophobicContact CG2-CZ 4.07Å
759	Q	85.4	Confident	93.2	Very high	100 Å²	100	13.8 Å²	13.8	47%	0.467	6%	0.064	S	C	.	.			trans	-105.8	118	171.2	-64.4	-173.2	-23.8	0	0	109.9
760	L	89.2	Confident	93.1	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.01	7%	0.065	C	C	.	.			trans	-118.7	147.7	175.2	-86	172.2	0	0	0	110	Q571 I754 I758 E764 I765 F782 A813 F868	Q571-L760 PolarHBondContact NE2-O 2.92Å; I754-L760 HydrophobicContact CD1-CD1 4.19Å; I758-L760 HydrophobicContact CG2-CD1 4.45Å; I758-L760 HydrophobicContact CG2-CG 4.16Å; L760-E764 HydrophobicContact CD2-CB 4.27Å; L760-I765 HydrophobicContact CB-CD1 3.93Å; L760-I765 HydrophobicContact CB-CG1 3.76Å; L760-I765 HydrophobicContact CD1-CG1 4.19Å; L760-F782 HydrophobicContact CD1-CD2 3.89Å; L760-F782 HydrophobicContact CD1-CE1 4.33Å; L760-F782 HydrophobicContact CD1-CE2 3.58Å; L760-F782 HydrophobicContact CD1-CG 4.41Å; L760-F782 HydrophobicContact CD1-CZ 3.83Å; L760-F782 HydrophobicContact CD2-CD1 3.92Å; L760-F782 HydrophobicContact CD2-CE1 3.93Å; L760-F782 HydrophobicContact CD2-CG 4.28Å; L760-F782 HydrophobicContact CD2-CZ 4.26Å; L760-A813 HydrophobicContact CD1-CB 4Å; L760-F868 HydrophobicContact CD1-CZ 4.41Å; L760-F868 HydrophobicContact CD2-CE1 3.59Å; L760-F868 HydrophobicContact CD2-CZ 3.64Å; L760-F868 HydrophobicContact CG-CE1 4.05Å; L760-F868 HydrophobicContact CG-CZ 4.04Å
761	R	88.5	Confident	93	Very high	70 Å²	70	14.9 Å²	14.9	26%	0.264	7%	0.069	S	C	.	.			trans	-77.6	150.3	174.5	-57.2	-179	-60.8	117.1	4.8	111.3	Q571 L574 D763 E764 I765 Y929	Q571-R761 VanDerWaalsContact OE1-CA 3.3Å; L574-R761 HydrophobicContact CD1-CB 4.03Å; R761-D763 VanDerWaalsContact C-N 3.26Å; R761-D763 WeakPolarHBondContact CB-OD1 3.47Å; R761-D763 IonicContact CZ-OD1 2.67Å; R761-D763 VanDerWaalsContact CZ-OD1 3.31Å; R761-D763 IonicContact CZ-OD2 2.84Å; R761-D763 IonicContact NE-OD1 3.25Å; R761-D763 VanDerWaalsContact NH1-CG 3.31Å; R761-D763 IonicContact NH1-OD1 3.44Å; R761-D763 PolarHBondContact NH1-OD1 2.95Å; R761-D763 IonicContact NH1-OD2 2.78Å; R761-D763 PolarHBondContact NH1-OD2 2.81Å; R761-D763 IonicContact NH2-OD1 2.78Å; R761-D763 IonicContact NH2-OD2 3.54Å; R761-D763 PolarHBondContact NH2-OD2 3.06Å; R761-D763 PolarHBondContact O-N 2.97Å; R761-E764 HydrophobicContact CB-CG 4.15Å; R761-E764 VanDerWaalsContact CB-OE2 3.26Å; R761-E764 WeakPolarHBondContact CB-OE2 3.24Å; R761-E764 WeakPolarHBondContact CG-OE2 3.24Å; R761-E764 IonicContact CZ-OE1 3.35Å; R761-E764 PolarHBondContact N-OE2 3.47Å; R761-E764 IonicContact NE-OE1 2.74Å; R761-E764 PolarHBondContact NE-OE1 3.48Å; R761-E764 IonicContact NE-OE2 3.25Å; R761-E764 PolarHBondContact NE-OE2 3.19Å; R761-E764 VanDerWaalsContact NH2-CD 3.31Å; R761-E764 IonicContact NH2-OE1 3.77Å; R761-E764 PolarHBondContact NH2-OE1 2.03Å; R761-E764 WeakPolarHBondContact O-CB 3.31Å; R761-E764 PolarHBondContact O-N 2.92Å; R761-I765 WeakPolarHBondContact O-CG1 3.14Å; R761-I765 PolarHBondContact O-N 2.85Å; R761-Y929 VanDerWaalsContact NH1-CD2 3.31Å
762	H	90.2	Very high	92.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-58.3	-39.5	-179.1	-72.9	176.9	0	0	0	112.5	D575 L578 S693 L695 L697 E764 I765 V766	D575-H762 IonicContact OD1-CE1 3.41Å; D575-H762 PolarHBondContact OD1-CE1 3.13Å; D575-H762 VanDerWaalsContact OD1-CE1 3.25Å; D575-H762 IonicContact OD1-CG 3.53Å; D575-H762 IonicContact OD1-ND1 2.58Å; D575-H762 PolarHBondContact OD1-ND1 2.95Å; L578-H762 HydrophobicContact CD1-CB 3.48Å; L578-H762 VanDerWaalsContact CD1-CB 3.48Å; S693-H762 PolarHBondContact O-NE2 2.94Å; L695-H762 PolarHBondContact O-CE1 3.08Å; L697-H762 HydrophobicContact CD1-CB 4.09Å; H762-E764 VanDerWaalsContact C-N 3.25Å; H762-E764 PolarHBondContact O-N 3.16Å; H762-I765 PolarHBondContact O-N 2.81Å; H762-V766 WeakPolarHBondContact O-CB 3.15Å; H762-V766 VanDerWaalsContact O-CG2 3.28Å; H762-V766 WeakPolarHBondContact O-CG2 3.34Å; H762-V766 PolarHBondContact O-N 2.86Å
763	D	88.6	Confident	92.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.8	-34.4	177.6	58.8	-27.7	0	0	0	111.4	L574 L578 R761 F767 Y927 I930	L574-D763 WeakPolarHBondContact CD1-OD1 3.38Å; L574-D763 HydrophobicContact CD2-CB 4.04Å; L578-D763 HydrophobicContact CD1-CB 3.97Å; L578-D763 VanDerWaalsContact CD1-N 3.31Å; L578-D763 HydrophobicContact CD2-CB 3.78Å; L578-D763 HydrophobicContact CG-CB 4.49Å; R761-D763 VanDerWaalsContact C-N 3.26Å; R761-D763 WeakPolarHBondContact CB-OD1 3.47Å; R761-D763 IonicContact CZ-OD1 2.67Å; R761-D763 VanDerWaalsContact CZ-OD1 3.31Å; R761-D763 IonicContact CZ-OD2 2.84Å; R761-D763 IonicContact NE-OD1 3.25Å; R761-D763 VanDerWaalsContact NH1-CG 3.31Å; R761-D763 IonicContact NH1-OD1 3.44Å; R761-D763 PolarHBondContact NH1-OD1 2.95Å; R761-D763 IonicContact NH1-OD2 2.78Å; R761-D763 PolarHBondContact NH1-OD2 2.81Å; R761-D763 IonicContact NH2-OD1 2.78Å; R761-D763 IonicContact NH2-OD2 3.54Å; R761-D763 PolarHBondContact NH2-OD2 3.06Å; R761-D763 PolarHBondContact O-N 2.97Å; D763-F767 WeakPolarHBondContact O-CB 3.08Å; D763-F767 PolarHBondContact O-N 2.7Å; D763-Y927 HydrophobicContact CB-CD1 4.19Å; D763-I930 HydrophobicContact CB-CD1 3.7Å; D763-I930 HydrophobicContact CB-CG1 4.47Å; D763-I930 WeakPolarHBondContact O-CD1 3.2Å; D763-I930 WeakPolarHBondContact OD2-CG1 3.34Å
764	E	91.4	Very high	92.4	Very high	14 Å²	14	21.5 Å²	21.5	7%	0.065	10%	0.099	C	C	.	.	H	α-helix	trans	-71.2	-43	-179.9	-66.7	170.9	153.5	0	0	111	L760 R761 H762 F767 G768 F782 H865 I930	L760-E764 HydrophobicContact CD2-CB 4.27Å; R761-E764 HydrophobicContact CB-CG 4.15Å; R761-E764 VanDerWaalsContact CB-OE2 3.26Å; R761-E764 WeakPolarHBondContact CB-OE2 3.24Å; R761-E764 WeakPolarHBondContact CG-OE2 3.24Å; R761-E764 IonicContact CZ-OE1 3.35Å; R761-E764 PolarHBondContact N-OE2 3.47Å; R761-E764 IonicContact NE-OE1 2.74Å; R761-E764 PolarHBondContact NE-OE1 3.48Å; R761-E764 IonicContact NE-OE2 3.25Å; R761-E764 PolarHBondContact NE-OE2 3.19Å; R761-E764 VanDerWaalsContact NH2-CD 3.31Å; R761-E764 IonicContact NH2-OE1 3.77Å; R761-E764 PolarHBondContact NH2-OE1 2.03Å; R761-E764 WeakPolarHBondContact O-CB 3.31Å; R761-E764 PolarHBondContact O-N 2.92Å; H762-E764 VanDerWaalsContact C-N 3.25Å; H762-E764 PolarHBondContact O-N 3.16Å; E764-F767 PolarHBondContact O-N 3.43Å; E764-G768 PolarHBondContact O-N 3.43Å; E764-F782 HydrophobicContact CB-CE1 3.97Å; E764-F782 WeakPolarHBondContact O-CZ 3.32Å; E764-H865 IonicContact OE1-CD2 2.88Å; E764-H865 IonicContact OE1-NE2 3.89Å; E764-H865 PolarHBondContact OE1-NE2 3.25Å; E764-H865 IonicContact OE2-NE2 2.64Å; E764-I930 VanDerWaalsContact CA-CD1 3.43Å; E764-I930 HydrophobicContact CB-CD1 4.15Å; E764-I930 HydrophobicContact CG-CD1 3.61Å; E764-I930 HydrophobicContact CG-CG1 4.04Å; E764-I930 VanDerWaalsContact N-CD1 3.31Å
765	I	93.7	Very high	92.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.6	-48.7	175.1	-62.5	170.5	0	0	0	110.2	F674 F694 L697 L752 L760 R761 H762 F767 G768 F769 F815	F674-I765 HydrophobicContact CE1-CG2 4.42Å; F674-I765 HydrophobicContact CE2-CG2 4.03Å; F674-I765 HydrophobicContact CZ-CG2 3.62Å; F694-I765 HydrophobicContact CD1-CD1 4.18Å; F694-I765 HydrophobicContact CE1-CD1 3.98Å; L697-I765 HydrophobicContact CD1-CB 4.21Å; L697-I765 HydrophobicContact CD1-CD1 4.33Å; L697-I765 HydrophobicContact CD1-CG2 4.14Å; L697-I765 HydrophobicContact CD2-CD1 3.82Å; L697-I765 HydrophobicContact CD2-CG2 4.1Å; L752-I765 HydrophobicContact CD2-CG1 4.48Å; L752-I765 HydrophobicContact CD2-CG2 3.74Å; L760-I765 HydrophobicContact CB-CD1 3.93Å; L760-I765 HydrophobicContact CB-CG1 3.76Å; L760-I765 HydrophobicContact CD1-CG1 4.19Å; R761-I765 WeakPolarHBondContact O-CG1 3.14Å; R761-I765 PolarHBondContact O-N 2.85Å; H762-I765 PolarHBondContact O-N 2.81Å; I765-F767 VanDerWaalsContact C-N 3.33Å; I765-F767 PolarHBondContact O-N 2.9Å; I765-G768 PolarHBondContact O-N 3.02Å; I765-F769 WeakPolarHBondContact O-CB 3.42Å; I765-F769 PolarHBondContact O-N 2.61Å; I765-F815 HydrophobicContact CG2-CE2 4.34Å; I765-F815 HydrophobicContact CG2-CZ 3.9Å; I765-F815 WeakPolarHBondContact O-CE2 3.44Å
766	V	92.5	Very high	92.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.8	-38.8	179.9	172.8	0	0	0	0	111.1	L578 L697 P698 Y699 H762 F769 R770 Y927	L578-V766 HydrophobicContact CB-CG2 4.38Å; L697-V766 HydrophobicContact CD1-CG2 4.32Å; P698-V766 HydrophobicContact CB-CG2 4.49Å; Y699-V766 HydrophobicContact CD2-CG1 4.32Å; Y699-V766 HydrophobicContact CD2-CG2 4.2Å; Y699-V766 HydrophobicContact CE2-CG1 3.97Å; Y699-V766 HydrophobicContact CE2-CG2 4.42Å; H762-V766 WeakPolarHBondContact O-CB 3.15Å; H762-V766 VanDerWaalsContact O-CG2 3.28Å; H762-V766 WeakPolarHBondContact O-CG2 3.34Å; H762-V766 PolarHBondContact O-N 2.86Å; V766-F769 PolarHBondContact O-N 3.07Å; V766-R770 WeakPolarHBondContact O-CG 3.44Å; V766-R770 PolarHBondContact O-N 3.39Å; V766-Y927 HydrophobicContact CG1-CE1 4.32Å
767	F	92.5	Very high	92.3	Very high	11 Å²	11	24 Å²	24	5%	0.048	11%	0.109	C	C	.	.	H	α-helix	trans	-62.1	-49.8	173.3	176.1	-108.6	0	0	0	111.9	D763 E764 I765 F769 R770 V771 V862 T863 A910 D911 Y927 I930	D763-F767 WeakPolarHBondContact O-CB 3.08Å; D763-F767 PolarHBondContact O-N 2.7Å; E764-F767 PolarHBondContact O-N 3.43Å; I765-F767 VanDerWaalsContact C-N 3.33Å; I765-F767 PolarHBondContact O-N 2.9Å; F767-F769 PolarHBondContact O-N 2.78Å; F767-R770 PolarHBondContact O-N 3.46Å; F767-R770 VanDerWaalsContact O-N 3.12Å; F767-V771 HydrophobicContact CD1-CG2 4.47Å; F767-V771 HydrophobicContact CD2-CG2 4.31Å; F767-V771 HydrophobicContact CE1-CG2 3.95Å; F767-V771 HydrophobicContact CE2-CG2 3.77Å; F767-V771 HydrophobicContact CZ-CG2 3.55Å; F767-V771 WeakPolarHBondContact O-CG2 3.32Å; F767-V771 PolarHBondContact O-N 2.82Å; F767-V862 HydrophobicContact CD1-CB 4.18Å; F767-V862 HydrophobicContact CD1-CG1 4.47Å; F767-V862 HydrophobicContact CE1-CB 3.88Å; F767-V862 HydrophobicContact CE1-CG1 4Å; F767-T863 HydrophobicContact CD1-CG2 3.86Å; F767-T863 HydrophobicContact CE1-CG2 4.28Å; F767-A910 WeakPolarHBondContact CE1-O 3.2Å; F767-A910 HydrophobicContact CZ-CB 4.31Å; F767-D911 VanDerWaalsContact CZ-CA 3.49Å; F767-Y927 WeakPolarHBondContact CA-OH 3.48Å; F767-Y927 HydrophobicContact CB-CD1 4.49Å; F767-Y927 HydrophobicContact CB-CE1 3.89Å; F767-Y927 HydrophobicContact CB-CE2 4.32Å; F767-Y927 HydrophobicContact CD2-CD2 4.32Å; F767-Y927 AromaticContact CD2-CE2 3.58Å; F767-Y927 HydrophobicContact CD2-CE2 3.58Å; F767-Y927 AromaticContact CD2-CZ 3.77Å; F767-Y927 HydrophobicContact CE2-CE2 4.43Å; F767-Y927 HydrophobicContact CG-CE2 4.37Å; F767-I930 HydrophobicContact CB-CD1 4Å; F767-I930 HydrophobicContact CD1-CG2 4.2Å; F767-I930 HydrophobicContact CG-CG2 4.29Å
768	G	95.5	Very high	92.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-56.4	-40.8	175.8	0	0	0	0	0	112.3	E764 I765 V771 W772	E764-G768 PolarHBondContact O-N 3.43Å; I765-G768 PolarHBondContact O-N 3.02Å; G768-V771 PolarHBondContact O-N 3.02Å; G768-W772 WeakPolarHBondContact O-CB 3.31Å; G768-W772 PolarHBondContact O-N 3.34Å
769	F	95.8	Very high	93	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-45.4	175.2	-179.6	-129.9	0	0	0	112.2	L665 E672 F674 Y699 A750 I765 V766 F767 V771 W772 R773 F815	L665-F769 HydrophobicContact CD1-CD1 3.98Å; L665-F769 HydrophobicContact CD1-CE1 3.97Å; L665-F769 HydrophobicContact CD2-CE1 3.83Å; E672-F769 HydrophobicContact CG-CE2 4.27Å; E672-F769 HydrophobicContact CG-CZ 3.63Å; E672-F769 WeakPolarHBondContact O-CZ 3.48Å; F674-F769 HydrophobicContact CB-CD2 4.24Å; F674-F769 HydrophobicContact CB-CE2 3.98Å; F674-F769 HydrophobicContact CD1-CB 4.42Å; F674-F769 AromaticContact CD1-CD1 3.93Å; F674-F769 HydrophobicContact CD1-CD1 3.93Å; F674-F769 AromaticContact CD1-CD2 3.78Å; F674-F769 HydrophobicContact CD1-CD2 3.78Å; F674-F769 HydrophobicContact CD1-CE1 4.02Å; F674-F769 AromaticContact CD1-CE2 3.89Å; F674-F769 HydrophobicContact CD1-CE2 3.89Å; F674-F769 AromaticContact CD1-CG 3.79Å; F674-F769 HydrophobicContact CD1-CG 3.79Å; F674-F769 AromaticContact CD1-CZ 3.97Å; F674-F769 HydrophobicContact CD1-CZ 3.97Å; F674-F769 HydrophobicContact CE1-CB 4.45Å; F674-F769 HydrophobicContact CE1-CD1 4.17Å; F674-F769 HydrophobicContact CE1-CG 4.18Å; F674-F769 HydrophobicContact CG-CD2 4.34Å; F674-F769 HydrophobicContact CG-CE2 4.4Å; Y699-F769 HydrophobicContact CD2-CD1 4.36Å; Y699-F769 HydrophobicContact CD2-CE1 4.42Å; Y699-F769 HydrophobicContact CG-CD1 4.46Å; Y699-F769 HydrophobicContact CG-CE1 4.09Å; A750-F769 HydrophobicContact CB-CD2 4.21Å; A750-F769 HydrophobicContact CB-CE2 3.62Å; I765-F769 WeakPolarHBondContact O-CB 3.42Å; I765-F769 PolarHBondContact O-N 2.61Å; V766-F769 PolarHBondContact O-N 3.07Å; F767-F769 PolarHBondContact O-N 2.78Å; F769-V771 PolarHBondContact O-N 3.14Å; F769-W772 HydrophobicContact CD2-CE3 4.03Å; F769-W772 AromaticContact CE2-CE3 3.98Å; F769-W772 HydrophobicContact CE2-CE3 3.98Å; F769-W772 HydrophobicContact CE2-CZ3 4.07Å; F769-W772 WeakPolarHBondContact O-CB 3.12Å; F769-W772 PolarHBondContact O-N 3.01Å; F769-R773 HydrophobicContact CD2-CG 4.46Å; F769-R773 HydrophobicContact CE2-CG 4.24Å; F769-R773 HydrophobicContact CZ-CG 4.42Å; F769-R773 WeakPolarHBondContact O-CG 3.34Å; F769-R773 PolarHBondContact O-N 3.06Å; F769-F815 HydrophobicContact CB-CE1 3.93Å; F769-F815 HydrophobicContact CB-CE2 4.15Å; F769-F815 HydrophobicContact CB-CZ 3.65Å; F769-F815 HydrophobicContact CD2-CD1 4.22Å; F769-F815 AromaticContact CD2-CE1 3.81Å; F769-F815 HydrophobicContact CD2-CE1 3.81Å; F769-F815 HydrophobicContact CD2-CZ 4.41Å; F769-F815 HydrophobicContact CG-CE1 4.24Å; F769-F815 HydrophobicContact CG-CZ 4.41Å
770	R	93.1	Very high	93.6	Very high	23 Å²	23	18.5 Å²	18.5	9%	0.087	8%	0.082	C	C	.	.	H	α-helix	trans	-61.5	-43.5	176.7	-69.8	-163.4	-161.3	173.6	-10	112.4	F661 N664 L665 V766 F767 W772 R773 Y927	F661-R770 VanDerWaalsContact O-CZ 3.25Å; F661-R770 PolarHBondContact O-NH1 3.18Å; F661-R770 PolarHBondContact O-NH2 3.22Å; N664-R770 PolarHBondContact O-NH2 3.42Å; L665-R770 HydrophobicContact CD1-CG 3.85Å; V766-R770 WeakPolarHBondContact O-CG 3.44Å; V766-R770 PolarHBondContact O-N 3.39Å; F767-R770 PolarHBondContact O-N 3.46Å; F767-R770 VanDerWaalsContact O-N 3.12Å; R770-W772 VanDerWaalsContact C-N 3.31Å; R770-W772 PolarHBondContact O-N 3.21Å; R770-R773 PolarHBondContact O-N 3.38Å; R770-Y927 WeakPolarHBondContact CD-OH 3.36Å; R770-Y927 PolarHBondContact NE-OH 3.15Å
771	V	95.5	Very high	94	Very high	14 Å²	14	18.4 Å²	18.4	9%	0.085	8%	0.082	C	C	.	.	H	α-helix	trans	-61.3	-43.1	175.2	176.3	0	0	0	0	110.4	F767 G768 F769 R773 E774 H775 V780 I860 V862 A910	F767-V771 HydrophobicContact CD1-CG2 4.47Å; F767-V771 HydrophobicContact CD2-CG2 4.31Å; F767-V771 HydrophobicContact CE1-CG2 3.95Å; F767-V771 HydrophobicContact CE2-CG2 3.77Å; F767-V771 HydrophobicContact CZ-CG2 3.55Å; F767-V771 WeakPolarHBondContact O-CG2 3.32Å; F767-V771 PolarHBondContact O-N 2.82Å; G768-V771 PolarHBondContact O-N 3.02Å; F769-V771 PolarHBondContact O-N 3.14Å; V771-R773 VanDerWaalsContact C-N 3.33Å; V771-R773 PolarHBondContact O-N 3.03Å; V771-E774 PolarHBondContact O-N 3.34Å; V771-H775 PolarHBondContact O-CD2 3.27Å; V771-H775 PolarHBondContact O-N 2.96Å; V771-H775 VanDerWaalsContact O-N 3.17Å; V771-V780 HydrophobicContact CB-CG1 4.07Å; V771-V780 HydrophobicContact CG1-CG1 3.72Å; V771-I860 HydrophobicContact CG1-CG2 3.99Å; V771-V862 HydrophobicContact CB-CG1 4.02Å; V771-V862 HydrophobicContact CG1-CG1 3.94Å; V771-V862 HydrophobicContact CG2-CG1 4.02Å; V771-A910 HydrophobicContact CG1-CB 3.95Å; V771-A910 HydrophobicContact CG2-CB 4Å
772	W	97.3	Very high	94.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.9	-38.4	176.6	173.8	83.1	0	0	0	113.1	D749 A750 G768 F769 R770 E774 H775 R776 V780 F815 H817	D749-W772 HydrophobicContact CB-CH2 4.27Å; A750-W772 VanDerWaalsContact CA-CH2 3.47Å; A750-W772 HydrophobicContact CB-CD2 4.29Å; A750-W772 HydrophobicContact CB-CE3 3.78Å; A750-W772 HydrophobicContact CB-CH2 3.42Å; A750-W772 VanDerWaalsContact CB-CH2 3.42Å; A750-W772 HydrophobicContact CB-CZ2 3.95Å; A750-W772 HydrophobicContact CB-CZ3 3.35Å; G768-W772 WeakPolarHBondContact O-CB 3.31Å; G768-W772 PolarHBondContact O-N 3.34Å; F769-W772 HydrophobicContact CD2-CE3 4.03Å; F769-W772 AromaticContact CE2-CE3 3.98Å; F769-W772 HydrophobicContact CE2-CE3 3.98Å; F769-W772 HydrophobicContact CE2-CZ3 4.07Å; F769-W772 WeakPolarHBondContact O-CB 3.12Å; F769-W772 PolarHBondContact O-N 3.01Å; R770-W772 VanDerWaalsContact C-N 3.31Å; R770-W772 PolarHBondContact O-N 3.21Å; W772-E774 PolarHBondContact O-N 3.15Å; W772-H775 CarbonylContact O-C 3.56Å; W772-H775 PolarHBondContact O-N 3.44Å; W772-R776 HydrophobicContact CH2-CG 4.26Å; W772-R776 VanDerWaalsContact CH2-NH1 3.32Å; W772-R776 HydrophobicContact CZ2-CB 4.45Å; W772-R776 HydrophobicContact CZ2-CG 4.2Å; W772-R776 WeakPolarHBondContact O-CA 3.37Å; W772-R776 PolarHBondContact O-N 2.67Å; W772-V780 HydrophobicContact CB-CB 4.13Å; W772-V780 HydrophobicContact CB-CG1 4.48Å; W772-V780 HydrophobicContact CB-CG2 4.1Å; W772-F815 HydrophobicContact CB-CB 3.72Å; W772-F815 HydrophobicContact CB-CG 4.22Å; W772-F815 HydrophobicContact CG-CB 3.65Å; W772-F815 HydrophobicContact CG-CG 4.41Å; W772-H817 HydrophobicContact CZ2-CB 3.99Å; W772-H817 AromaticContact CZ2-CD2 3.83Å
773	R	94.3	Very high	94.6	Very high	9 Å²	9	15.2 Å²	15.2	3%	0.034	7%	0.07	C	C	.	.	H	α-helix	trans	-59.3	-32.9	178.5	-67.9	173.8	78.3	-139	11.6	112.8	G666 Y669 P670 E672 F769 R770 V771 R776	G666-R773 PolarHBondContact O-NH1 3.25Å; Y669-R773 VanDerWaalsContact C-NH2 3.34Å; Y669-R773 VanDerWaalsContact CB-NH2 3.33Å; Y669-R773 HydrophobicContact CD2-CB 4.37Å; Y669-R773 WeakPolarHBondContact CE2-O 3.43Å; Y669-R773 VanDerWaalsContact CZ-O 3.25Å; Y669-R773 PolarHBondContact O-NH2 3.23Å; P670-R773 PolarHBondContact O-NH2 3.4Å; E672-R773 WeakPolarHBondContact OE1-CD 3.01Å; E672-R773 WeakPolarHBondContact OE1-CG 3.27Å; E672-R773 IonicContact OE1-CZ 3.29Å; E672-R773 IonicContact OE1-NE 3.44Å; E672-R773 PolarHBondContact OE1-NE 3.07Å; E672-R773 IonicContact OE1-NH2 2.94Å; E672-R773 PolarHBondContact OE1-NH2 3.18Å; F769-R773 HydrophobicContact CD2-CG 4.46Å; F769-R773 HydrophobicContact CE2-CG 4.24Å; F769-R773 HydrophobicContact CZ-CG 4.42Å; F769-R773 WeakPolarHBondContact O-CG 3.34Å; F769-R773 PolarHBondContact O-N 3.06Å; R770-R773 PolarHBondContact O-N 3.38Å; V771-R773 VanDerWaalsContact C-N 3.33Å; V771-R773 PolarHBondContact O-N 3.03Å; R773-R776 PolarHBondContact O-NE 2.85Å
774	E	92.6	Very high	95	Very high	132 Å²	132	15.2 Å²	15.2	62%	0.617	7%	0.07	S	C	*	.	H	α-helix	trans	-84	-17.9	176.6	-64.6	179.2	-159.7	0	0	112.9	V771 W772	V771-E774 PolarHBondContact O-N 3.34Å; W772-E774 PolarHBondContact O-N 3.15Å
775	H	94.6	Very high	95.2	Very high	47 Å²	47	15.9 Å²	15.9	22%	0.218	7%	0.072	C	C	.	.			trans	-132.2	46.7	-174.3	-64.3	-79	0	0	0	112.5	V771 W772 D777 Q778 V780 I860	V771-H775 PolarHBondContact O-CD2 3.27Å; V771-H775 PolarHBondContact O-N 2.96Å; V771-H775 VanDerWaalsContact O-N 3.17Å; W772-H775 CarbonylContact O-C 3.56Å; W772-H775 PolarHBondContact O-N 3.44Å; H775-D777 PolarHBondContact O-N 3.16Å; H775-Q778 PolarHBondContact ND1-OE1 2.77Å; H775-Q778 PolarHBondContact O-N 3.17Å; H775-V780 HydrophobicContact CB-CG2 4.26Å; H775-I860 HydrophobicContact CB-CD1 3.42Å; H775-I860 VanDerWaalsContact CB-CD1 3.42Å; H775-I860 VanDerWaalsContact CD2-CD1 3.48Å; H775-I860 WeakPolarHBondContact CD2-CD1 3.25Å; H775-I860 WeakPolarHBondContact ND1-CD1 3.37Å
776	R	94.2	Very high	95.3	Very high	26 Å²	26	16.1 Å²	16.1	10%	0.098	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.8	-173.4	-63.8	178.2	-175.2	-95	-9.9	114	P626 E672 W772 R773 Q778 H817	P626-R776 HydrophobicContact CB-CB 4.08Å; E672-R776 IonicContact OE1-CZ 2.67Å; E672-R776 IonicContact OE1-NH1 3.23Å; E672-R776 IonicContact OE1-NH2 2.7Å; E672-R776 PolarHBondContact OE1-NH2 3.35Å; E672-R776 IonicContact OE2-CZ 3.18Å; E672-R776 VanDerWaalsContact OE2-CZ 3.27Å; E672-R776 IonicContact OE2-NH1 3.84Å; E672-R776 PolarHBondContact OE2-NH1 2.94Å; E672-R776 IonicContact OE2-NH2 2.68Å; E672-R776 PolarHBondContact OE2-NH2 2.78Å; W772-R776 HydrophobicContact CH2-CG 4.26Å; W772-R776 VanDerWaalsContact CH2-NH1 3.32Å; W772-R776 HydrophobicContact CZ2-CB 4.45Å; W772-R776 HydrophobicContact CZ2-CG 4.2Å; W772-R776 WeakPolarHBondContact O-CA 3.37Å; W772-R776 PolarHBondContact O-N 2.67Å; R773-R776 PolarHBondContact O-NE 2.85Å; R776-Q778 VanDerWaalsContact C-N 3.31Å; R776-H817 WeakPolarHBondContact O-CB 3.48Å
777	D	93.6	Very high	95.5	Very high	18 Å²	18	16.3 Å²	16.3	10%	0.096	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	10.6	-178.2	75	-28.8	0	0	0	114.3	P626 W627 H775 Y820 T855 K857	P626-D777 HydrophobicContact CB-CB 3.86Å; W627-D777 HydrophobicContact CZ2-CB 4.4Å; W627-D777 VanDerWaalsContact NE1-CB 3.32Å; W627-D777 PolarHBondContact NE1-OD2 3.16Å; H775-D777 PolarHBondContact O-N 3.16Å; D777-Y820 VanDerWaalsContact C-OH 3.26Å; D777-Y820 WeakPolarHBondContact CA-OH 3.37Å; D777-Y820 PolarHBondContact O-OH 3.39Å; D777-T855 HydrophobicContact CB-CG2 4.48Å; D777-T855 VanDerWaalsContact O-CG2 3.24Å; D777-T855 WeakPolarHBondContact O-CG2 3.08Å; D777-K857 VanDerWaalsContact CG-NZ 3.27Å; D777-K857 IonicContact OD1-NZ 2.79Å; D777-K857 PolarHBondContact OD1-NZ 3.46Å; D777-K857 VanDerWaalsContact OD1-NZ 3.1Å; D777-K857 WeakPolarHBondContact OD2-CE 3.45Å; D777-K857 IonicContact OD2-NZ 3.59Å; D777-K857 PolarHBondContact OD2-NZ 3.06Å
778	Q	96.3	Very high	95.7	Very high	21 Å²	21	17.1 Å²	17.1	10%	0.098	8%	0.078	C	C	.	.	S	Bend	trans	-127.7	155.8	177.3	-65.2	174.3	-103.8	0	0	110.5	H775 R776 K857 P858 I860	H775-Q778 PolarHBondContact ND1-OE1 2.77Å; H775-Q778 PolarHBondContact O-N 3.17Å; R776-Q778 VanDerWaalsContact C-N 3.31Å; Q778-K857 HydrophobicContact CG-CB 3.93Å; Q778-K857 HydrophobicContact CG-CD 3.8Å; Q778-P858 PolarHBondContact NE2-O 3.3Å; Q778-I860 HydrophobicContact CB-CD1 4.39Å; Q778-I860 HydrophobicContact CB-CG1 4.36Å
779	L	98.4	Very high	95.8	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	10%	0.101	C	C	.	.			trans	-74.8	124.7	167.1	-170.8	62.4	0	0	0	107.9	I809 T811 A814 F816 N848 L851 P859 I860	L779-I809 HydrophobicContact CD2-CB 3.92Å; L779-I809 HydrophobicContact CD2-CG2 4.16Å; L779-I809 WeakPolarHBondContact CD2-O 3.36Å; L779-I809 HydrophobicContact CG-CB 4.26Å; L779-I809 HydrophobicContact CG-CG2 4.22Å; L779-T811 HydrophobicContact CD1-CG2 4.43Å; L779-T811 HydrophobicContact CD2-CG2 4.13Å; L779-A814 HydrophobicContact CD1-CB 3.71Å; L779-A814 HydrophobicContact CG-CB 4.1Å; L779-F816 HydrophobicContact CD1-CB 3.83Å; L779-F816 HydrophobicContact CD1-CD1 3.92Å; L779-F816 HydrophobicContact CD1-CG 4.3Å; L779-N848 WeakPolarHBondContact CD2-OD1 3.2Å; L779-L851 HydrophobicContact CB-CD2 3.91Å; L779-P859 HydrophobicContact CB-CB 4Å; L779-P859 CarbonylContact O-C 3.26Å; L779-P859 WeakPolarHBondContact O-CA 3.49Å; L779-P859 WeakPolarHBondContact O-CB 3.49Å; L779-I860 PolarHBondContact O-N 2.94Å
780	V	98.7	Very high	95.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.3	179.5	-177.7	0	0	0	0	108.8	V771 W772 H775 A814 F815 I860 V862	V771-V780 HydrophobicContact CB-CG1 4.07Å; V771-V780 HydrophobicContact CG1-CG1 3.72Å; W772-V780 HydrophobicContact CB-CB 4.13Å; W772-V780 HydrophobicContact CB-CG1 4.48Å; W772-V780 HydrophobicContact CB-CG2 4.1Å; H775-V780 HydrophobicContact CB-CG2 4.26Å; V780-A814 CarbonylContact O-C 3.48Å; V780-A814 WeakPolarHBondContact O-CA 3.38Å; V780-F815 HydrophobicContact CB-CB 4.44Å; V780-F815 PolarHBondContact N-O 2.87Å; V780-F815 PolarHBondContact O-N 3.43Å; V780-I860 WeakPolarHBondContact CA-O 3.42Å; V780-I860 HydrophobicContact CG1-CG2 4.48Å; V780-I860 HydrophobicContact CG2-CB 4.16Å; V780-I860 HydrophobicContact CG2-CD1 4.42Å; V780-V862 HydrophobicContact CG1-CG1 3.67Å
781	G	97.5	Very high	95.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	-171.4	-177.5	0	0	0	0	0	114.2	A813 I860 K861 V862	G781-A813 WeakPolarHBondContact CA-O 3.38Å; G781-I860 PolarHBondContact N-O 2.83Å; G781-K861 WeakPolarHBondContact O-CA 3.28Å; G781-V862 VanDerWaalsContact O-CG2 3.3Å; G781-V862 WeakPolarHBondContact O-CG2 3.12Å; G781-V862 PolarHBondContact O-N 3.24Å
782	F	95.6	Very high	95.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-96.2	-65.1	-162.7	-52.8	-103.5	0	0	0	112.4	L760 E764 A784 A813 K861 V862 T863 H865 F868	L760-F782 HydrophobicContact CD1-CD2 3.89Å; L760-F782 HydrophobicContact CD1-CE1 4.33Å; L760-F782 HydrophobicContact CD1-CE2 3.58Å; L760-F782 HydrophobicContact CD1-CG 4.41Å; L760-F782 HydrophobicContact CD1-CZ 3.83Å; L760-F782 HydrophobicContact CD2-CD1 3.92Å; L760-F782 HydrophobicContact CD2-CE1 3.93Å; L760-F782 HydrophobicContact CD2-CG 4.28Å; L760-F782 HydrophobicContact CD2-CZ 4.26Å; E764-F782 HydrophobicContact CB-CE1 3.97Å; E764-F782 WeakPolarHBondContact O-CZ 3.32Å; F782-A784 PolarHBondContact O-N 3.29Å; F782-A813 HydrophobicContact CD2-CB 3.69Å; F782-A813 VanDerWaalsContact CD2-O 3.31Å; F782-A813 WeakPolarHBondContact CD2-O 3.47Å; F782-A813 HydrophobicContact CE2-CB 4.37Å; F782-A813 HydrophobicContact CG-CB 4.47Å; F782-A813 PolarHBondContact N-O 2.84Å; F782-K861 PolarHBondContact O-NZ 3.07Å; F782-V862 HydrophobicContact CD1-CG2 3.73Å; F782-V862 HydrophobicContact CD2-CG2 4.33Å; F782-V862 HydrophobicContact CE1-CG2 3.73Å; F782-V862 HydrophobicContact CE2-CG2 4.35Å; F782-V862 HydrophobicContact CG-CG2 4.01Å; F782-V862 HydrophobicContact CZ-CG2 4.05Å; F782-T863 HydrophobicContact CD1-CG2 4.13Å; F782-T863 WeakPolarHBondContact CD1-OG1 3.5Å; F782-T863 HydrophobicContact CE1-CG2 4.01Å; F782-H865 CarbonylContact C-O 3.47Å; F782-H865 HydrophobicContact CB-CB 4.09Å; F782-F868 HydrophobicContact CB-CE2 4.17Å; F782-F868 HydrophobicContact CB-CZ 3.84Å; F782-F868 HydrophobicContact CG-CZ 4.27Å
783	P	95.1	Very high	95.3	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.019	20%	0.195	C	C	.	.			trans	-81.9	118.6	-174.6	-9.6	31	0	0	0	110.2	L810 F868	P783-L810 HydrophobicContact CB-CB 4.28Å; P783-L810 HydrophobicContact CB-CD1 3.9Å; P783-L810 HydrophobicContact CB-CG 4.14Å; P783-L810 HydrophobicContact CG-CB 4.32Å; P783-L810 HydrophobicContact CG-CD1 4.32Å; P783-L810 PolarHBondContact O-N 2.65Å; P783-F868 HydrophobicContact CG-CD2 3.75Å; P783-F868 HydrophobicContact CG-CE2 3.38Å; P783-F868 HydrophobicContact CG-CZ 4.39Å
784	A	95.9	Very high	95.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	145.7	177.5	0	0	0	0	0	111.7	F782 F806 M808 I809 K861 W866	F782-A784 PolarHBondContact O-N 3.29Å; A784-F806 HydrophobicContact CB-CB 3.76Å; A784-F806 HydrophobicContact CB-CD1 4.31Å; A784-F806 HydrophobicContact CB-CD2 3.95Å; A784-F806 HydrophobicContact CB-CG 3.75Å; A784-M808 WeakPolarHBondContact CA-O 3.42Å; A784-I809 HydrophobicContact CB-CD1 3.9Å; A784-K861 HydrophobicContact CB-CB 4.42Å; A784-K861 HydrophobicContact CB-CD 3.81Å; A784-K861 HydrophobicContact CB-CG 4.01Å; A784-W866 HydrophobicContact CB-CE3 4.29Å; A784-W866 HydrophobicContact CB-CZ3 3.83Å
785	R	96.3	Very high	95.4	Very high	28 Å²	28	35.5 Å²	35.5	11%	0.106	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	159.8	-179.7	-57.8	-69.7	-178.1	-126.9	-11.5	109.3	Y798 S800 F806 S807 M808 L810 W866	R785-Y798 HydrophobicContact CB-CE2 4.04Å; R785-Y798 WeakPolarHBondContact CD-OH 3.38Å; R785-Y798 HydrophobicContact CG-CE2 4.39Å; R785-Y798 WeakPolarHBondContact CG-OH 3.14Å; R785-S800 PolarHBondContact NH1-O 3.35Å; R785-F806 WeakPolarHBondContact O-CB 3.34Å; R785-S807 PolarHBondContact O-N 3.03Å; R785-M808 HydrophobicContact CB-CB 4.2Å; R785-M808 HydrophobicContact CB-CE 4.44Å; R785-M808 PolarHBondContact N-O 3.44Å; R785-M808 PolarHBondContact O-N 2.86Å; R785-M808 VanDerWaalsContact O-O 3.14Å; R785-L810 HydrophobicContact CG-CD1 4.46Å; R785-L810 HydrophobicContact CG-CD2 3.75Å; R785-L810 HydrophobicContact CG-CG 3.87Å; R785-W866 PolarHBondContact NH1-O 3.42Å; R785-W866 PolarHBondContact NH2-O 2.94Å
786	A	96.7	Very high	95.6	Very high	4 Å²	4	36 Å²	36	3%	0.033	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	163	-178.4	0	0	0	0	0	111.5	F788 N799 M808	A786-F788 HydrophobicContact CB-CD2 4.19Å; A786-F788 HydrophobicContact CB-CE1 4.25Å; A786-F788 HydrophobicContact CB-CE2 3.42Å; A786-F788 VanDerWaalsContact CB-CE2 3.42Å; A786-F788 HydrophobicContact CB-CZ 3.46Å; A786-F788 VanDerWaalsContact CB-CZ 3.46Å; A786-N799 HydrophobicContact CB-CB 4.44Å; A786-N799 PolarHBondContact N-O 3.35Å; A786-N799 PolarHBondContact O-N 2.87Å; A786-M808 VanDerWaalsContact C-CE 3.42Å; A786-M808 VanDerWaalsContact O-CE 3.23Å; A786-M808 WeakPolarHBondContact O-CE 3.3Å
787	H	96.9	Very high	95.7	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.019	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.3	163	71.7	-67.3	0	0	0	107.2	W796 F797 S807 M808 I891 N901 L903 Y905	H787-W796 AromaticContact CD2-CE3 3.57Å; H787-W796 AromaticContact CD2-CZ3 3.89Å; H787-F797 CarbonylContact C-O 3.6Å; H787-F797 VanDerWaalsContact CA-O 3.29Å; H787-F797 WeakPolarHBondContact CA-O 3.07Å; H787-S807 PolarHBondContact N-OG 3.29Å; H787-S807 VanDerWaalsContact ND1-CB 3.33Å; H787-S807 WeakPolarHBondContact ND1-CB 3.22Å; H787-S807 PolarHBondContact ND1-OG 3.48Å; H787-M808 HydrophobicContact CB-CE 4.13Å; H787-I891 HydrophobicContact CB-CD1 3.82Å; H787-I891 HydrophobicContact CB-CG2 4.46Å; H787-N901 PolarHBondContact CD2-ND2 3.37Å; H787-N901 PolarHBondContact NE2-ND2 3.3Å; H787-L903 HydrophobicContact CB-CD1 4.26Å; H787-L903 WeakPolarHBondContact CE1-CB 3.22Å; H787-Y905 AromaticContact CE1-CE1 3.78Å; H787-Y905 AromaticContact CE1-CE2 4Å; H787-Y905 AromaticContact CE1-CZ 3.5Å; H787-Y905 VanDerWaalsContact CE1-CZ 3.5Å; H787-Y905 AromaticContact ND1-CE1 3.91Å; H787-Y905 AromaticContact ND1-CZ 3.99Å; H787-Y905 AromaticContact NE2-CZ 3.78Å; H787-Y905 PolarHBondContact NE2-OH 3.1Å; H787-Y905 WeakPolarHBondContact O-CE1 3.47Å; H787-Y905 PolarHBondContact O-OH 3.1Å
788	F	96.6	Very high	95.8	Very high	29 Å²	29	38 Å²	38	13%	0.127	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	160.1	177.9	-65.7	-62.1	0	0	0	110.6	A786 W796 F797 N799 M803 E805 Y905	A786-F788 HydrophobicContact CB-CD2 4.19Å; A786-F788 HydrophobicContact CB-CE1 4.25Å; A786-F788 HydrophobicContact CB-CE2 3.42Å; A786-F788 VanDerWaalsContact CB-CE2 3.42Å; A786-F788 HydrophobicContact CB-CZ 3.46Å; A786-F788 VanDerWaalsContact CB-CZ 3.46Å; F788-W796 CarbonylContact O-C 3.49Å; F788-W796 WeakPolarHBondContact O-CA 3.48Å; F788-F797 HydrophobicContact CB-CD1 4.09Å; F788-F797 HydrophobicContact CB-CE1 3.44Å; F788-F797 VanDerWaalsContact CB-CE1 3.44Å; F788-F797 HydrophobicContact CB-CE2 4.18Å; F788-F797 HydrophobicContact CB-CZ 3.5Å; F788-F797 HydrophobicContact CD2-CE2 4.2Å; F788-F797 HydrophobicContact CD2-CZ 4.09Å; F788-F797 HydrophobicContact CG-CZ 4.24Å; F788-F797 PolarHBondContact N-O 2.68Å; F788-F797 VanDerWaalsContact O-CD1 3.25Å; F788-F797 WeakPolarHBondContact O-CD1 3.48Å; F788-F797 PolarHBondContact O-N 3.48Å; F788-N799 HydrophobicContact CD2-CB 3.6Å; F788-N799 HydrophobicContact CE2-CB 3.72Å; F788-N799 WeakPolarHBondContact CE2-ND2 3.03Å; F788-M803 HydrophobicContact CE2-CG 4.42Å; F788-E805 HydrophobicContact CE1-CG 3.89Å; F788-E805 WeakPolarHBondContact CE1-OE1 3.39Å; F788-E805 HydrophobicContact CZ-CG 3.91Å; F788-Y905 HydrophobicContact CD1-CE1 4.16Å; F788-Y905 AromaticContact CE1-CE1 3.95Å; F788-Y905 HydrophobicContact CE1-CE1 3.95Å
789	W	96.3	Very high	95.7	Very high	127 Å²	127	37.9 Å²	37.9	48%	0.481	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	125.2	177.2	-175.6	-109	0	0	0	110.4	S794 W796	W789-S794 WeakPolarHBondContact CH2-O 3.34Å; W789-S794 VanDerWaalsContact CZ2-CA 3.42Å; W789-W796 HydrophobicContact CB-CE3 4.03Å; W789-W796 HydrophobicContact CB-CH2 4.23Å; W789-W796 HydrophobicContact CB-CZ3 3.69Å; W789-W796 AromaticContact CE3-CD2 3.57Å; W789-W796 HydrophobicContact CE3-CD2 3.57Å; W789-W796 AromaticContact CE3-CE2 3.53Å; W789-W796 AromaticContact CE3-CE3 3.9Å; W789-W796 HydrophobicContact CE3-CE3 3.9Å; W789-W796 AromaticContact CE3-CG 4Å; W789-W796 HydrophobicContact CE3-CG 4Å; W789-W796 HydrophobicContact CE3-CH2 4.15Å; W789-W796 AromaticContact CE3-CZ2 3.84Å; W789-W796 HydrophobicContact CE3-CZ2 3.84Å; W789-W796 HydrophobicContact CE3-CZ3 4.18Å; W789-W796 AromaticContact CE3-NE1 3.91Å; W789-W796 AromaticContact CZ3-CD1 3.92Å; W789-W796 HydrophobicContact CZ3-CD2 4.1Å; W789-W796 AromaticContact CZ3-CE2 3.78Å; W789-W796 HydrophobicContact CZ3-CG 4.18Å; W789-W796 HydrophobicContact CZ3-CZ2 4.26Å; W789-W796 AromaticContact CZ3-NE1 3.67Å
790	N	94.8	Very high	95.3	Very high	43 Å²	43	38.9 Å²	38.9	23%	0.23	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	111.7	165.4	-174.1	-1.7	0	0	0	109.1	S792 D793 S794 S795 F797	N790-S792 VanDerWaalsContact C-N 3.25Å; N790-S792 PolarHBondContact O-N 3.05Å; N790-S792 WeakPolarHBondContact OD1-CB 3.48Å; N790-S792 PolarHBondContact OD1-N 3.31Å; N790-S792 PolarHBondContact OD1-OG 2.03Å; N790-D793 HydrophobicContact CB-CB 4.36Å; N790-D793 PolarHBondContact ND2-OD2 2.93Å; N790-S794 WeakPolarHBondContact O-CA 3.26Å; N790-S794 PolarHBondContact O-N 3.12Å; N790-S795 PolarHBondContact N-O 2.83Å; N790-S795 PolarHBondContact O-N 3.49Å; N790-F797 HydrophobicContact CB-CD1 3.91Å; N790-F797 HydrophobicContact CB-CE1 4.29Å
791	G	93	Very high	94.9	Very high	54 Å²	54	43.5 Å²	43.5	56%	0.557	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.9	177.2	0	0	0	0	0	113.8
792	S	93.8	Very high	94.4	Very high	109 Å²	109	50.8 Å²	50.8	76%	0.762	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-45.8	-178.9	-47.2	0	0	0	0	111.5	N790	N790-S792 VanDerWaalsContact C-N 3.25Å; N790-S792 PolarHBondContact O-N 3.05Å; N790-S792 WeakPolarHBondContact OD1-CB 3.48Å; N790-S792 PolarHBondContact OD1-N 3.31Å; N790-S792 PolarHBondContact OD1-OG 2.03Å
793	D	89.9	Confident	94.1	Very high	112 Å²	112	54.2 Å²	54.2	60%	0.599	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-8.3	-178.1	-60.1	-20.9	0	0	0	112.6	N790 S795	N790-D793 HydrophobicContact CB-CB 4.36Å; N790-D793 PolarHBondContact ND2-OD2 2.93Å; D793-S795 WeakPolarHBondContact CB-OG 3.44Å; D793-S795 PolarHBondContact O-N 2.83Å
794	S	94.3	Very high	93.9	Very high	85 Å²	85	59.7 Å²	59.7	59%	0.594	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	44.9	-170.8	-64.3	0	0	0	0	112.4	W789 N790	W789-S794 WeakPolarHBondContact CH2-O 3.34Å; W789-S794 VanDerWaalsContact CZ2-CA 3.42Å; N790-S794 WeakPolarHBondContact O-CA 3.26Å; N790-S794 PolarHBondContact O-N 3.12Å
795	S	96.1	Very high	93.8	Very high	33 Å²	33	63 Å²	63	23%	0.231	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	158.1	-178	68.2	0	0	0	0	111.7	N790 D793	N790-S795 PolarHBondContact N-O 2.83Å; N790-S795 PolarHBondContact O-N 3.49Å; D793-S795 WeakPolarHBondContact CB-OG 3.44Å; D793-S795 PolarHBondContact O-N 2.83Å
796	W	97.5	Very high	93.9	Very high	59 Å²	59	62 Å²	62	22%	0.223	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	140.1	173.4	-60.2	101.8	0	0	0	110.4	H787 F788 W789 I891 N892	H787-W796 AromaticContact CD2-CE3 3.57Å; H787-W796 AromaticContact CD2-CZ3 3.89Å; F788-W796 CarbonylContact O-C 3.49Å; F788-W796 WeakPolarHBondContact O-CA 3.48Å; W789-W796 HydrophobicContact CB-CE3 4.03Å; W789-W796 HydrophobicContact CB-CH2 4.23Å; W789-W796 HydrophobicContact CB-CZ3 3.69Å; W789-W796 AromaticContact CE3-CD2 3.57Å; W789-W796 HydrophobicContact CE3-CD2 3.57Å; W789-W796 AromaticContact CE3-CE2 3.53Å; W789-W796 AromaticContact CE3-CE3 3.9Å; W789-W796 HydrophobicContact CE3-CE3 3.9Å; W789-W796 AromaticContact CE3-CG 4Å; W789-W796 HydrophobicContact CE3-CG 4Å; W789-W796 HydrophobicContact CE3-CH2 4.15Å; W789-W796 AromaticContact CE3-CZ2 3.84Å; W789-W796 HydrophobicContact CE3-CZ2 3.84Å; W789-W796 HydrophobicContact CE3-CZ3 4.18Å; W789-W796 AromaticContact CE3-NE1 3.91Å; W789-W796 AromaticContact CZ3-CD1 3.92Å; W789-W796 HydrophobicContact CZ3-CD2 4.1Å; W789-W796 AromaticContact CZ3-CE2 3.78Å; W789-W796 HydrophobicContact CZ3-CG 4.18Å; W789-W796 HydrophobicContact CZ3-CZ2 4.26Å; W789-W796 AromaticContact CZ3-NE1 3.67Å; W796-I891 HydrophobicContact CB-CB 4.44Å; W796-I891 HydrophobicContact CB-CG2 3.54Å; W796-I891 HydrophobicContact CG-CG2 4.09Å; W796-N892 PolarHBondContact N-OD1 3.26Å; W796-N892 PolarHBondContact O-ND2 3.16Å
797	F	96	Very high	93.9	Very high	72 Å²	72	61.8 Å²	61.8	32%	0.316	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.1	170.6	72.9	-86.4	0	0	0	111.3	H787 F788 N790 N799	H787-F797 CarbonylContact C-O 3.6Å; H787-F797 VanDerWaalsContact CA-O 3.29Å; H787-F797 WeakPolarHBondContact CA-O 3.07Å; F788-F797 HydrophobicContact CB-CD1 4.09Å; F788-F797 HydrophobicContact CB-CE1 3.44Å; F788-F797 VanDerWaalsContact CB-CE1 3.44Å; F788-F797 HydrophobicContact CB-CE2 4.18Å; F788-F797 HydrophobicContact CB-CZ 3.5Å; F788-F797 HydrophobicContact CD2-CE2 4.2Å; F788-F797 HydrophobicContact CD2-CZ 4.09Å; F788-F797 HydrophobicContact CG-CZ 4.24Å; F788-F797 PolarHBondContact N-O 2.68Å; F788-F797 VanDerWaalsContact O-CD1 3.25Å; F788-F797 WeakPolarHBondContact O-CD1 3.48Å; F788-F797 PolarHBondContact O-N 3.48Å; N790-F797 HydrophobicContact CB-CD1 3.91Å; N790-F797 HydrophobicContact CB-CE1 4.29Å; F797-N799 HydrophobicContact CD2-CB 4.41Å; F797-N799 HydrophobicContact CE2-CB 4.05Å
798	Y	96.7	Very high	94	Very high	14 Å²	14	61.8 Å²	61.8	6%	0.055	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	134	174.3	176.6	-88.2	0	0	0	109.6	R785 M808 I845 Y884 R887 S888 I891	R785-Y798 HydrophobicContact CB-CE2 4.04Å; R785-Y798 WeakPolarHBondContact CD-OH 3.38Å; R785-Y798 HydrophobicContact CG-CE2 4.39Å; R785-Y798 WeakPolarHBondContact CG-OH 3.14Å; Y798-M808 HydrophobicContact CD2-CE 3.74Å; Y798-M808 HydrophobicContact CE2-CE 3.87Å; Y798-I845 HydrophobicContact CD2-CD1 4.03Å; Y798-I845 HydrophobicContact CE2-CD1 4.31Å; Y798-Y884 AromaticContact CD1-CD1 3.93Å; Y798-Y884 HydrophobicContact CD1-CD1 3.93Å; Y798-Y884 AromaticContact CE1-CD1 3.9Å; Y798-Y884 HydrophobicContact CE1-CD1 3.9Å; Y798-Y884 HydrophobicContact CE1-CE1 4.17Å; Y798-R887 HydrophobicContact CD1-CB 4.21Å; Y798-R887 HydrophobicContact CD2-CB 4.09Å; Y798-R887 VanDerWaalsContact CE2-NH2 3.33Å; Y798-R887 HydrophobicContact CG-CB 3.81Å; Y798-R887 PolarHBondContact OH-NE 3.38Å; Y798-R887 PolarHBondContact OH-NH2 3.14Å; Y798-S888 PolarHBondContact N-OG 2.93Å; Y798-I891 HydrophobicContact CD2-CD1 4.1Å; Y798-I891 HydrophobicContact CG-CD1 4.44Å
799	N	93.8	Very high	94.1	Very high	17 Å²	17	60.4 Å²	60.4	9%	0.091	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.1	178.2	-167.4	-16.5	0	0	0	111.3	A786 F788 F797 D801	A786-N799 HydrophobicContact CB-CB 4.44Å; A786-N799 PolarHBondContact N-O 3.35Å; A786-N799 PolarHBondContact O-N 2.87Å; F788-N799 HydrophobicContact CD2-CB 3.6Å; F788-N799 HydrophobicContact CE2-CB 3.72Å; F788-N799 WeakPolarHBondContact CE2-ND2 3.03Å; F797-N799 HydrophobicContact CD2-CB 4.41Å; F797-N799 HydrophobicContact CE2-CB 4.05Å; N799-D801 VanDerWaalsContact OD1-CB 3.24Å; N799-D801 WeakPolarHBondContact OD1-CB 3.3Å; N799-D801 VanDerWaalsContact OD1-CG 3.3Å; N799-D801 PolarHBondContact OD1-N 3.28Å; N799-D801 PolarHBondContact OD1-OD2 3.29Å
800	S	90.9	Very high	94.1	Very high	24 Å²	24	55.4 Å²	55.4	17%	0.168	31%	0.313	C	S	.	.			trans	-103.3	-5.9	176.2	50.5	0	0	0	0	115.1	R785 Y884	R785-S800 PolarHBondContact NH1-O 3.35Å; S800-Y884 VanDerWaalsContact OG-CE1 3.27Å; S800-Y884 WeakPolarHBondContact OG-CE1 3.37Å
801	D	88.6	Confident	94.2	Very high	97 Å²	97	53.3 Å²	53.3	52%	0.519	30%	0.302	S	S	.	.	S	Bend	trans	-65.6	160.9	-177.5	-61	-27.2	0	0	0	112.1	N799 M803	N799-D801 VanDerWaalsContact OD1-CB 3.24Å; N799-D801 WeakPolarHBondContact OD1-CB 3.3Å; N799-D801 VanDerWaalsContact OD1-CG 3.3Å; N799-D801 PolarHBondContact OD1-N 3.28Å; N799-D801 PolarHBondContact OD1-OD2 3.29Å; D801-M803 HydrophobicContact CB-CE 3.38Å; D801-M803 HydrophobicContact CB-CG 4.42Å; D801-M803 PolarHBondContact O-N 3.37Å
802	Y	87.6	Confident	94.2	Very high	152 Å²	152	51.1 Å²	51.1	60%	0.596	28%	0.279	S	S	*	.			trans	-73.9	109.1	176	-54.7	-25.7	0	0	0	110.1	W866	Y802-W866 HydrophobicContact CD1-CB 3.48Å; Y802-W866 VanDerWaalsContact CD1-CB 3.48Å; Y802-W866 AromaticContact CD1-CD2 3.77Å; Y802-W866 HydrophobicContact CD1-CD2 3.77Å; Y802-W866 HydrophobicContact CD1-CE3 4.05Å; Y802-W866 AromaticContact CD1-CG 3.55Å; Y802-W866 HydrophobicContact CD1-CG 3.55Å; Y802-W866 HydrophobicContact CE1-CB 3.13Å; Y802-W866 HydrophobicContact CE1-CD2 4.38Å; Y802-W866 AromaticContact CE1-CG 3.71Å; Y802-W866 HydrophobicContact CE1-CG 3.71Å; Y802-W866 HydrophobicContact CG-CD2 4.39Å; Y802-W866 HydrophobicContact CG-CG 4.27Å
803	M	88.6	Confident	94.3	Very high	72 Å²	72	45.9 Å²	45.9	36%	0.355	24%	0.243	S	C	.	.			trans	-125.5	157.6	-173.5	-65.9	-65.3	155.1	0	0	111.6	F788 D801 E805 W866	F788-M803 HydrophobicContact CE2-CG 4.42Å; D801-M803 HydrophobicContact CB-CE 3.38Å; D801-M803 HydrophobicContact CB-CG 4.42Å; D801-M803 PolarHBondContact O-N 3.37Å; M803-E805 WeakPolarHBondContact CB-O 3.09Å; M803-E805 PolarHBondContact O-N 3.39Å; M803-W866 WeakPolarHBondContact O-CH2 3.3Å
804	C	91.1	Very high	94.7	Very high	118 Å²	118	40.6 Å²	40.6	80%	0.797	22%	0.215	S	C	*	.	S	Bend	trans	-76.3	-10.9	175.3	-65.2	0	0	0	0	113.2	Q907	C804-Q907 WeakPolarHBondContact O-CG 3.36Å
805	E	95.2	Very high	94.9	Very high	70 Å²	70	36.5 Å²	36.5	33%	0.327	19%	0.186	S	C	.	.			trans	-131.8	148.3	176.8	67.5	-171.4	166	0	0	110.8	F788 M803 S906 Q907	F788-E805 HydrophobicContact CE1-CG 3.89Å; F788-E805 WeakPolarHBondContact CE1-OE1 3.39Å; F788-E805 HydrophobicContact CZ-CG 3.91Å; M803-E805 WeakPolarHBondContact CB-O 3.09Å; M803-E805 PolarHBondContact O-N 3.39Å; E805-S906 WeakPolarHBondContact CA-O 3.47Å; E805-Q907 HydrophobicContact CB-CG 4.02Å
806	F	97.3	Very high	95.1	Very high	7 Å²	7	35 Å²	35	3%	0.031	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-143.4	162.8	178.6	67.1	-83.5	0	0	0	109.8	A784 R785 I809 P859 K861 Y905 S906 Y908	A784-F806 HydrophobicContact CB-CB 3.76Å; A784-F806 HydrophobicContact CB-CD1 4.31Å; A784-F806 HydrophobicContact CB-CD2 3.95Å; A784-F806 HydrophobicContact CB-CG 3.75Å; R785-F806 WeakPolarHBondContact O-CB 3.34Å; F806-I809 HydrophobicContact CE2-CD1 4.44Å; F806-I809 HydrophobicContact CE2-CG1 4.49Å; F806-P859 HydrophobicContact CD2-CG 4.31Å; F806-P859 HydrophobicContact CE2-CG 4.12Å; F806-P859 WeakPolarHBondContact CE2-O 3.24Å; F806-K861 HydrophobicContact CE1-CB 3.97Å; F806-K861 HydrophobicContact CE2-CB 4.05Å; F806-K861 HydrophobicContact CZ-CB 3.63Å; F806-Y905 CarbonylContact O-C 3.57Å; F806-Y905 VanDerWaalsContact O-CA 3.31Å; F806-Y905 WeakPolarHBondContact O-CA 3.35Å; F806-S906 WeakPolarHBondContact CD1-O 3.46Å; F806-S906 WeakPolarHBondContact CE1-O 3.01Å; F806-S906 PolarHBondContact N-O 3.22Å; F806-S906 PolarHBondContact O-N 3.48Å; F806-Y908 VanDerWaalsContact CE1-O 3.3Å; F806-Y908 WeakPolarHBondContact CE1-O 3.3Å; F806-Y908 WeakPolarHBondContact CZ-O 3.43Å
807	S	98.1	Very high	95.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-137.1	-5.8	179.8	65.8	0	0	0	0	113.1	R785 H787 P859 M904	R785-S807 PolarHBondContact O-N 3.03Å; H787-S807 PolarHBondContact N-OG 3.29Å; H787-S807 VanDerWaalsContact ND1-CB 3.33Å; H787-S807 WeakPolarHBondContact ND1-CB 3.22Å; H787-S807 PolarHBondContact ND1-OG 3.48Å; S807-P859 WeakPolarHBondContact O-CD 3.49Å; S807-M904 WeakPolarHBondContact CA-O 3.38Å; S807-M904 WeakPolarHBondContact CB-O 3.45Å
808	M	98.3	Very high	95.1	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.015	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	150.4	-175.9	-68.2	176.4	-71.4	0	0	110	A784 R785 A786 H787 Y798 I845 N848 I891 L903	A784-M808 WeakPolarHBondContact CA-O 3.42Å; R785-M808 HydrophobicContact CB-CB 4.2Å; R785-M808 HydrophobicContact CB-CE 4.44Å; R785-M808 PolarHBondContact N-O 3.44Å; R785-M808 PolarHBondContact O-N 2.86Å; R785-M808 VanDerWaalsContact O-O 3.14Å; A786-M808 VanDerWaalsContact C-CE 3.42Å; A786-M808 VanDerWaalsContact O-CE 3.23Å; A786-M808 WeakPolarHBondContact O-CE 3.3Å; H787-M808 HydrophobicContact CB-CE 4.13Å; Y798-M808 HydrophobicContact CD2-CE 3.74Å; Y798-M808 HydrophobicContact CE2-CE 3.87Å; M808-I845 HydrophobicContact SD-CB 4.48Å; M808-I845 HydrophobicContact SD-CG1 4.08Å; M808-I845 HydrophobicContact SD-CG2 4.16Å; M808-N848 VanDerWaalsContact CA-OD1 3.28Å; M808-N848 WeakPolarHBondContact CA-OD1 3.36Å; M808-N848 HydrophobicContact CB-CB 4.37Å; M808-N848 HydrophobicContact CG-CB 3.9Å; M808-I891 HydrophobicContact CE-CD1 4.26Å; M808-L903 HydrophobicContact CE-CD1 4.35Å; M808-L903 HydrophobicContact CG-CD1 3.84Å; M808-L903 HydrophobicContact CG-CD2 3.97Å; M808-L903 HydrophobicContact SD-CD1 3.75Å
809	I	97.8	Very high	95.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134	168.5	-73	-71.8	0	0	0	108.4	L779 A784 F806 T811 A814 N848 P859 K861	L779-I809 HydrophobicContact CD2-CB 3.92Å; L779-I809 HydrophobicContact CD2-CG2 4.16Å; L779-I809 WeakPolarHBondContact CD2-O 3.36Å; L779-I809 HydrophobicContact CG-CB 4.26Å; L779-I809 HydrophobicContact CG-CG2 4.22Å; A784-I809 HydrophobicContact CB-CD1 3.9Å; F806-I809 HydrophobicContact CE2-CD1 4.44Å; F806-I809 HydrophobicContact CE2-CG1 4.49Å; I809-T811 PolarHBondContact O-N 3.16Å; I809-A814 HydrophobicContact CG2-CB 3.96Å; I809-N848 PolarHBondContact N-OD1 3.18Å; I809-N848 PolarHBondContact O-ND2 3.34Å; I809-P859 HydrophobicContact CB-CB 4.11Å; I809-P859 HydrophobicContact CB-CG 4.49Å; I809-P859 HydrophobicContact CG1-CB 3.66Å; I809-P859 HydrophobicContact CG1-CG 3.96Å; I809-K861 HydrophobicContact CD1-CB 3.99Å; I809-K861 HydrophobicContact CD1-CG 4.18Å
810	L	96.5	Very high	95.2	Very high	22 Å²	22	28 Å²	28	12%	0.115	15%	0.146	C	C	.	.			trans	-67.1	131.2	176	-64.2	-173.5	0	0	0	110.5	P783 R785 G812 A813 D844	P783-L810 HydrophobicContact CB-CB 4.28Å; P783-L810 HydrophobicContact CB-CD1 3.9Å; P783-L810 HydrophobicContact CB-CG 4.14Å; P783-L810 HydrophobicContact CG-CB 4.32Å; P783-L810 HydrophobicContact CG-CD1 4.32Å; P783-L810 PolarHBondContact O-N 2.65Å; R785-L810 HydrophobicContact CG-CD1 4.46Å; R785-L810 HydrophobicContact CG-CD2 3.75Å; R785-L810 HydrophobicContact CG-CG 3.87Å; L810-G812 PolarHBondContact O-N 3.49Å; L810-A813 PolarHBondContact O-N 2.99Å; L810-D844 WeakPolarHBondContact CD2-OD2 3.35Å
811	T	96.3	Very high	95.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	1	178.4	53.7	0	0	0	0	113.8	R739 F740 S753 L779 I809 A813 D844 M847	R739-T811 PolarHBondContact NH2-O 3.46Å; F740-T811 HydrophobicContact CE1-CG2 4.19Å; F740-T811 HydrophobicContact CZ-CG2 3.83Å; F740-T811 WeakPolarHBondContact CZ-OG1 3.34Å; S753-T811 CarbonylContact C-O 3.52Å; S753-T811 VanDerWaalsContact CB-O 3.31Å; S753-T811 WeakPolarHBondContact CB-O 3.49Å; S753-T811 VanDerWaalsContact O-O 3.1Å; S753-T811 PolarHBondContact OG-O 3Å; L779-T811 HydrophobicContact CD1-CG2 4.43Å; L779-T811 HydrophobicContact CD2-CG2 4.13Å; I809-T811 PolarHBondContact O-N 3.16Å; T811-A813 PolarHBondContact O-N 3.42Å; T811-D844 HydrophobicContact CG2-CB 4.18Å; T811-D844 WeakPolarHBondContact OG1-CB 3.47Å; T811-M847 HydrophobicContact CG2-CB 4.17Å; T811-M847 HydrophobicContact CG2-CG 4.14Å
812	G	93.3	Very high	96	Very high	7 Å²	7	22.4 Å²	22.4	7%	0.072	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-10	169	0	0	0	0	0	113.7	I754 D755 L810	I754-G812 CarbonylContact C-O 3.43Å; I754-G812 WeakPolarHBondContact CA-O 3.46Å; I754-G812 WeakPolarHBondContact CG1-O 3.45Å; D755-G812 PolarHBondContact N-O 3.22Å; D755-G812 WeakPolarHBondContact OD1-CA 3.35Å; D755-G812 VanDerWaalsContact OD2-CA 3.26Å; D755-G812 WeakPolarHBondContact OD2-CA 3.41Å; L810-G812 PolarHBondContact O-N 3.49Å
813	A	96.9	Very high	96.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	87.1	162.6	0	0	0	0	0	108.6	S753 I754 I758 L760 G781 F782 L810 T811 F868	S753-A813 VanDerWaalsContact O-CA 3.31Å; S753-A813 WeakPolarHBondContact O-CA 3.42Å; I754-A813 HydrophobicContact CG1-CB 4.46Å; I758-A813 HydrophobicContact CG2-CB 4.39Å; L760-A813 HydrophobicContact CD1-CB 4Å; G781-A813 WeakPolarHBondContact CA-O 3.38Å; F782-A813 HydrophobicContact CD2-CB 3.69Å; F782-A813 VanDerWaalsContact CD2-O 3.31Å; F782-A813 WeakPolarHBondContact CD2-O 3.47Å; F782-A813 HydrophobicContact CE2-CB 4.37Å; F782-A813 HydrophobicContact CG-CB 4.47Å; F782-A813 PolarHBondContact N-O 2.84Å; L810-A813 PolarHBondContact O-N 2.99Å; T811-A813 PolarHBondContact O-N 3.42Å; A813-F868 HydrophobicContact CB-CE2 3.74Å; A813-F868 HydrophobicContact CB-CZ 4.18Å
814	A	98.5	Very high	96.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	142.1	179	0	0	0	0	0	113.2	S753 L779 V780 I809	S753-A814 PolarHBondContact N-O 3.39Å; S753-A814 PolarHBondContact O-N 2.9Å; L779-A814 HydrophobicContact CD1-CB 3.71Å; L779-A814 HydrophobicContact CG-CB 4.1Å; V780-A814 CarbonylContact O-C 3.48Å; V780-A814 WeakPolarHBondContact O-CA 3.38Å; I809-A814 HydrophobicContact CG2-CB 3.96Å
815	F	98.8	Very high	97.1	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	134.8	166.4	-73.1	-86.4	0	0	0	111.4	F674 I751 L752 I765 F769 W772 V780	F674-F815 HydrophobicContact CB-CE1 3.98Å; F674-F815 HydrophobicContact CD1-CE1 4.1Å; F674-F815 HydrophobicContact CD1-CZ 4.48Å; F674-F815 AromaticContact CD2-CE1 3.88Å; F674-F815 HydrophobicContact CD2-CE1 3.88Å; F674-F815 HydrophobicContact CD2-CZ 4.31Å; F674-F815 HydrophobicContact CE2-CE1 4.38Å; F674-F815 HydrophobicContact CE2-CZ 4.36Å; F674-F815 AromaticContact CG-CE1 3.73Å; F674-F815 HydrophobicContact CG-CE1 3.73Å; F674-F815 HydrophobicContact CG-CZ 4.38Å; F674-F815 HydrophobicContact CZ-CZ 4.49Å; I751-F815 VanDerWaalsContact O-CA 3.25Å; I751-F815 WeakPolarHBondContact O-CA 3.35Å; L752-F815 HydrophobicContact CB-CD1 3.97Å; L752-F815 HydrophobicContact CB-CE1 3.64Å; L752-F815 HydrophobicContact CB-CE2 4.49Å; L752-F815 HydrophobicContact CB-CZ 3.92Å; L752-F815 HydrophobicContact CD1-CD2 3.94Å; L752-F815 HydrophobicContact CD1-CE1 4.44Å; L752-F815 HydrophobicContact CD1-CE2 3.82Å; L752-F815 HydrophobicContact CD1-CG 4.3Å; L752-F815 HydrophobicContact CD1-CZ 4.09Å; L752-F815 HydrophobicContact CD2-CE1 4.41Å; L752-F815 HydrophobicContact CD2-CE2 4.19Å; L752-F815 HydrophobicContact CD2-CZ 3.84Å; L752-F815 HydrophobicContact CG-CE1 4.38Å; L752-F815 HydrophobicContact CG-CE2 4.4Å; L752-F815 HydrophobicContact CG-CZ 4.17Å; I765-F815 HydrophobicContact CG2-CE2 4.34Å; I765-F815 HydrophobicContact CG2-CZ 3.9Å; I765-F815 WeakPolarHBondContact O-CE2 3.44Å; F769-F815 HydrophobicContact CB-CE1 3.93Å; F769-F815 HydrophobicContact CB-CE2 4.15Å; F769-F815 HydrophobicContact CB-CZ 3.65Å; F769-F815 HydrophobicContact CD2-CD1 4.22Å; F769-F815 AromaticContact CD2-CE1 3.81Å; F769-F815 HydrophobicContact CD2-CE1 3.81Å; F769-F815 HydrophobicContact CD2-CZ 4.41Å; F769-F815 HydrophobicContact CG-CE1 4.24Å; F769-F815 HydrophobicContact CG-CZ 4.41Å; W772-F815 HydrophobicContact CB-CB 3.72Å; W772-F815 HydrophobicContact CB-CG 4.22Å; W772-F815 HydrophobicContact CG-CB 3.65Å; W772-F815 HydrophobicContact CG-CG 4.41Å; V780-F815 HydrophobicContact CB-CB 4.44Å; V780-F815 PolarHBondContact N-O 2.87Å; V780-F815 PolarHBondContact O-N 3.43Å
816	F	98.7	Very high	97	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	162.6	167	57.7	-91.5	0	0	0	110.7	F740 I751 L779 Y820 T821 M847	F740-F816 HydrophobicContact CD1-CE1 4.33Å; F740-F816 AromaticContact CD1-CZ 3.86Å; F740-F816 HydrophobicContact CD1-CZ 3.86Å; F740-F816 HydrophobicContact CE1-CE1 4.04Å; F740-F816 HydrophobicContact CE1-CZ 4.04Å; I751-F816 HydrophobicContact CB-CD2 4.44Å; I751-F816 HydrophobicContact CB-CE2 4.06Å; I751-F816 HydrophobicContact CB-CZ 4.19Å; I751-F816 HydrophobicContact CD1-CE2 3.93Å; I751-F816 HydrophobicContact CG2-CE1 4.31Å; I751-F816 HydrophobicContact CG2-CE2 4.16Å; I751-F816 HydrophobicContact CG2-CZ 3.81Å; I751-F816 PolarHBondContact N-O 3.34Å; I751-F816 PolarHBondContact O-N 2.86Å; L779-F816 HydrophobicContact CD1-CB 3.83Å; L779-F816 HydrophobicContact CD1-CD1 3.92Å; L779-F816 HydrophobicContact CD1-CG 4.3Å; F816-Y820 HydrophobicContact CB-CD2 4.27Å; F816-T821 HydrophobicContact CE2-CG2 3.78Å; F816-M847 HydrophobicContact CB-CE 4.39Å; F816-M847 HydrophobicContact CD1-CE 4.23Å; F816-M847 HydrophobicContact CD2-CE 3.6Å; F816-M847 HydrophobicContact CE1-CE 4.42Å; F816-M847 HydrophobicContact CE2-CE 3.85Å; F816-M847 HydrophobicContact CG-CE 3.82Å; F816-M847 HydrophobicContact CZ-CE 4.27Å
817	H	97.8	Very high	96.6	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	140.5	179.5	-169.2	-82	0	0	0	112.3	S624 P626 D749 W772 R776 Y819 Y820	S624-H817 PolarHBondContact OG-CE1 3.49Å; S624-H817 VanDerWaalsContact OG-CE1 3.32Å; P626-H817 HydrophobicContact CB-CB 4.39Å; P626-H817 HydrophobicContact CG-CB 3.84Å; D749-H817 CarbonylContact O-C 3.54Å; D749-H817 WeakPolarHBondContact O-CA 3.42Å; W772-H817 HydrophobicContact CZ2-CB 3.99Å; W772-H817 AromaticContact CZ2-CD2 3.83Å; R776-H817 WeakPolarHBondContact O-CB 3.48Å; H817-Y819 VanDerWaalsContact ND1-CB 3.26Å; H817-Y819 WeakPolarHBondContact ND1-CB 3.21Å; H817-Y819 PolarHBondContact ND1-N 2.95Å; H817-Y819 VanDerWaalsContact ND1-N 3.11Å; H817-Y819 PolarHBondContact O-N 3.29Å; H817-Y819 VanDerWaalsContact O-N 3.08Å; H817-Y820 HydrophobicContact CB-CD2 3.94Å; H817-Y820 HydrophobicContact CB-CE2 3.93Å; H817-Y820 WeakPolarHBondContact O-CD2 3.39Å; H817-Y820 PolarHBondContact O-N 3.12Å
818	K	97.2	Very high	96.4	Very high	14 Å²	14	10.4 Å²	10.4	6%	0.061	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-38.9	-179.7	-178.3	179.9	177.6	177.2	0	113.5	I746 D749 I751 Y820 T821 F822	I746-K818 HydrophobicContact CG2-CD 4.19Å; I746-K818 HydrophobicContact CG2-CG 4.49Å; I746-K818 WeakPolarHBondContact O-CE 3.31Å; I746-K818 PolarHBondContact O-NZ 3.11Å; D749-K818 PolarHBondContact O-N 3.07Å; I751-K818 HydrophobicContact CD1-CB 4.09Å; I751-K818 HydrophobicContact CD1-CG 4.29Å; K818-Y820 PolarHBondContact O-N 2.81Å; K818-T821 WeakPolarHBondContact O-CB 3.45Å; K818-T821 PolarHBondContact O-N 3.38Å; K818-T821 PolarHBondContact O-OG1 3.14Å; K818-F822 HydrophobicContact CD-CE2 4.46Å; K818-F822 HydrophobicContact CG-CE2 4.08Å
819	Y	95	Very high	96.1	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.008	6%	0.057	C	C	.	.	H	α-helix	trans	-42.6	-40.8	172.4	173	-108.3	0	0	0	113.5	V616 F622 T625 P626 W627 H817 T821 F822 A823 E827	V616-Y819 HydrophobicContact CG1-CE2 4.39Å; F622-Y819 HydrophobicContact CB-CD2 4.42Å; F622-Y819 AromaticContact CD1-CD2 3.88Å; F622-Y819 HydrophobicContact CD1-CD2 3.88Å; F622-Y819 HydrophobicContact CD1-CE2 4.01Å; F622-Y819 HydrophobicContact CD2-CD2 4.13Å; F622-Y819 AromaticContact CD2-CE2 3.81Å; F622-Y819 HydrophobicContact CD2-CE2 3.81Å; F622-Y819 HydrophobicContact CE1-CD2 4.16Å; F622-Y819 AromaticContact CE1-CE2 3.88Å; F622-Y819 HydrophobicContact CE1-CE2 3.88Å; F622-Y819 HydrophobicContact CE2-CD2 4.37Å; F622-Y819 AromaticContact CE2-CE2 3.64Å; F622-Y819 HydrophobicContact CE2-CE2 3.64Å; F622-Y819 AromaticContact CG-CD2 3.87Å; F622-Y819 HydrophobicContact CG-CD2 3.87Å; F622-Y819 AromaticContact CG-CE2 3.98Å; F622-Y819 HydrophobicContact CG-CE2 3.98Å; F622-Y819 HydrophobicContact CZ-CD2 4.39Å; F622-Y819 AromaticContact CZ-CE2 3.68Å; F622-Y819 HydrophobicContact CZ-CE2 3.68Å; T625-Y819 HydrophobicContact CG2-CD2 4.42Å; P626-Y819 HydrophobicContact CG-CD1 4.09Å; P626-Y819 HydrophobicContact CG-CG 4.48Å; W627-Y819 HydrophobicContact CH2-CD1 4.19Å; W627-Y819 AromaticContact CH2-CE1 3.76Å; W627-Y819 HydrophobicContact CH2-CE1 3.76Å; W627-Y819 HydrophobicContact CZ3-CD1 4.04Å; W627-Y819 AromaticContact CZ3-CE1 3.74Å; W627-Y819 HydrophobicContact CZ3-CE1 3.74Å; H817-Y819 VanDerWaalsContact ND1-CB 3.26Å; H817-Y819 WeakPolarHBondContact ND1-CB 3.21Å; H817-Y819 PolarHBondContact ND1-N 2.95Å; H817-Y819 VanDerWaalsContact ND1-N 3.11Å; H817-Y819 PolarHBondContact O-N 3.29Å; H817-Y819 VanDerWaalsContact O-N 3.08Å; Y819-T821 VanDerWaalsContact C-N 3.26Å; Y819-T821 PolarHBondContact O-N 3.17Å; Y819-F822 WeakPolarHBondContact O-CB 3.34Å; Y819-F822 PolarHBondContact O-N 2.63Å; Y819-F822 VanDerWaalsContact O-N 3.07Å; Y819-A823 HydrophobicContact CE1-CB 4.31Å; Y819-A823 PolarHBondContact O-N 2.86Å; Y819-E827 PolarHBondContact OH-OE1 3.48Å
820	Y	97.7	Very high	96	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-69.9	-19.6	-177	-60.6	-61.6	0	0	0	113.9	P626 D777 F816 H817 K818 A823 Y824 M847 L851	P626-Y820 HydrophobicContact CG-CE2 3.97Å; D777-Y820 VanDerWaalsContact C-OH 3.26Å; D777-Y820 WeakPolarHBondContact CA-OH 3.37Å; D777-Y820 PolarHBondContact O-OH 3.39Å; F816-Y820 HydrophobicContact CB-CD2 4.27Å; H817-Y820 HydrophobicContact CB-CD2 3.94Å; H817-Y820 HydrophobicContact CB-CE2 3.93Å; H817-Y820 WeakPolarHBondContact O-CD2 3.39Å; H817-Y820 PolarHBondContact O-N 3.12Å; K818-Y820 PolarHBondContact O-N 2.81Å; Y820-A823 PolarHBondContact O-N 3.25Å; Y820-Y824 WeakPolarHBondContact O-CB 3.42Å; Y820-Y824 PolarHBondContact O-N 2.77Å; Y820-M847 VanDerWaalsContact CB-CE 3.41Å; Y820-M847 HydrophobicContact CG-CE 4.35Å; Y820-L851 HydrophobicContact CD1-CD1 3.69Å; Y820-L851 HydrophobicContact CD1-CD2 4.47Å; Y820-L851 HydrophobicContact CD1-CG 3.84Å; Y820-L851 HydrophobicContact CD2-CD1 4.22Å; Y820-L851 HydrophobicContact CD2-CD2 3.96Å; Y820-L851 HydrophobicContact CD2-CG 4.22Å; Y820-L851 HydrophobicContact CE1-CD1 4.15Å; Y820-L851 HydrophobicContact CE1-CD2 4.32Å; Y820-L851 HydrophobicContact CE1-CG 3.75Å; Y820-L851 HydrophobicContact CE2-CD2 3.79Å; Y820-L851 HydrophobicContact CE2-CG 4.13Å; Y820-L851 HydrophobicContact CG-CD1 3.74Å; Y820-L851 HydrophobicContact CG-CD2 4.3Å; Y820-L851 HydrophobicContact CG-CG 4.08Å
821	T	98.3	Very high	96	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-66.3	-39.3	169.5	63.9	0	0	0	0	111.7	F740 P742 I751 F816 K818 Y819 T825	F740-T821 VanDerWaalsContact O-CA 3.28Å; F740-T821 WeakPolarHBondContact O-CA 3.49Å; F740-T821 WeakPolarHBondContact O-CB 3.42Å; P742-T821 WeakPolarHBondContact CA-OG1 2.89Å; P742-T821 WeakPolarHBondContact CB-OG1 3.5Å; I751-T821 HydrophobicContact CD1-CG2 3.61Å; F816-T821 HydrophobicContact CE2-CG2 3.78Å; K818-T821 WeakPolarHBondContact O-CB 3.45Å; K818-T821 PolarHBondContact O-N 3.38Å; K818-T821 PolarHBondContact O-OG1 3.14Å; Y819-T821 VanDerWaalsContact C-N 3.26Å; Y819-T821 PolarHBondContact O-N 3.17Å; T821-T825 WeakPolarHBondContact O-CB 3.01Å; T821-T825 PolarHBondContact O-N 2.87Å; T821-T825 VanDerWaalsContact O-N 3.11Å; T821-T825 PolarHBondContact O-OG1 3.37Å
822	F	96.6	Very high	96	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-70	-44.6	174.4	-63.4	-91.2	0	0	0	111	A544 P545 Q546 F622 P623 P742 K818 Y819 Y824 T825 W826	A544-F822 HydrophobicContact CB-CD1 3.63Å; A544-F822 HydrophobicContact CB-CE1 3.75Å; A544-F822 HydrophobicContact CB-CG 4.4Å; P545-F822 WeakPolarHBondContact O-CD1 3.44Å; P545-F822 VanDerWaalsContact O-CE1 3.31Å; P545-F822 WeakPolarHBondContact O-CE1 3.39Å; Q546-F822 HydrophobicContact CG-CE1 4.02Å; Q546-F822 HydrophobicContact CG-CZ 4.01Å; F622-F822 HydrophobicContact CD1-CB 4Å; F622-F822 HydrophobicContact CD1-CD1 4.43Å; F622-F822 HydrophobicContact CD1-CD2 4.32Å; F622-F822 HydrophobicContact CD1-CG 4.03Å; F622-F822 HydrophobicContact CE1-CB 3.65Å; F622-F822 HydrophobicContact CE1-CG 4.12Å; P623-F822 HydrophobicContact CG-CE2 4.17Å; P623-F822 HydrophobicContact CG-CZ 3.9Å; P742-F822 HydrophobicContact CB-CD1 3.65Å; P742-F822 HydrophobicContact CB-CD2 4.02Å; P742-F822 HydrophobicContact CB-CE1 3.64Å; P742-F822 HydrophobicContact CB-CE2 4.02Å; P742-F822 HydrophobicContact CB-CG 3.84Å; P742-F822 HydrophobicContact CB-CZ 3.83Å; P742-F822 HydrophobicContact CG-CD1 4.04Å; P742-F822 HydrophobicContact CG-CE1 4.25Å; P742-F822 HydrophobicContact CG-CG 4.47Å; K818-F822 HydrophobicContact CD-CE2 4.46Å; K818-F822 HydrophobicContact CG-CE2 4.08Å; Y819-F822 WeakPolarHBondContact O-CB 3.34Å; Y819-F822 PolarHBondContact O-N 2.63Å; Y819-F822 VanDerWaalsContact O-N 3.07Å; F822-Y824 VanDerWaalsContact C-N 3.34Å; F822-Y824 PolarHBondContact O-N 3.42Å; F822-T825 PolarHBondContact O-N 3.15Å; F822-W826 WeakPolarHBondContact O-CB 3.41Å; F822-W826 PolarHBondContact O-N 3.34Å
823	A	95.5	Very high	96.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	I	π-helix	trans	-61.3	-42.8	177.4	0	0	0	0	0	111.5	Y819 Y820 T825 E827 M828 L850 I854	Y819-A823 HydrophobicContact CE1-CB 4.31Å; Y819-A823 PolarHBondContact O-N 2.86Å; Y820-A823 PolarHBondContact O-N 3.25Å; A823-T825 VanDerWaalsContact C-N 3.31Å; A823-T825 PolarHBondContact O-N 3.49Å; A823-E827 HydrophobicContact CB-CB 4.45Å; A823-E827 HydrophobicContact CB-CG 4.46Å; A823-E827 CarbonylContact O-C 3.43Å; A823-E827 WeakPolarHBondContact O-CA 3.38Å; A823-E827 WeakPolarHBondContact O-CB 3.04Å; A823-E827 PolarHBondContact O-N 3.49Å; A823-M828 PolarHBondContact O-N 3.31Å; A823-L850 HydrophobicContact CB-CD2 4.01Å; A823-I854 HydrophobicContact CB-CD1 4.1Å
824	Y	97.9	Very high	96.2	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	12%	0.123	C	C	.	.	I	π-helix	trans	-63.3	-35.5	176.7	-169.3	-83.6	0	0	0	112.8	N737 F740 Y820 F822 M828 R833 A846 M847 L850	N737-Y824 HydrophobicContact CB-CE1 4.31Å; N737-Y824 WeakPolarHBondContact OD1-CE1 3.25Å; N737-Y824 PolarHBondContact OD1-OH 3.01Å; F740-Y824 HydrophobicContact CB-CD1 3.75Å; F740-Y824 HydrophobicContact CB-CE1 4.13Å; F740-Y824 HydrophobicContact CB-CG 4.01Å; F740-Y824 HydrophobicContact CD2-CD1 4.28Å; F740-Y824 HydrophobicContact CD2-CD2 4.23Å; F740-Y824 AromaticContact CD2-CE1 3.95Å; F740-Y824 HydrophobicContact CD2-CE1 3.95Å; F740-Y824 AromaticContact CD2-CE2 3.87Å; F740-Y824 HydrophobicContact CD2-CE2 3.87Å; F740-Y824 HydrophobicContact CD2-CG 4.43Å; F740-Y824 AromaticContact CD2-CZ 3.74Å; F740-Y824 HydrophobicContact CE2-CE2 4.33Å; F740-Y824 HydrophobicContact CG-CD1 4.44Å; F740-Y824 HydrophobicContact CG-CG 4.49Å; Y820-Y824 WeakPolarHBondContact O-CB 3.42Å; Y820-Y824 PolarHBondContact O-N 2.77Å; F822-Y824 VanDerWaalsContact C-N 3.34Å; F822-Y824 PolarHBondContact O-N 3.42Å; Y824-M828 HydrophobicContact CD2-CE 3.58Å; Y824-M828 HydrophobicContact CD2-SD 4.05Å; Y824-M828 HydrophobicContact CE2-CE 3.8Å; Y824-M828 HydrophobicContact CE2-SD 3.97Å; Y824-M828 HydrophobicContact CG-CE 4.34Å; Y824-M828 HydrophobicContact CG-SD 4.48Å; Y824-M828 WeakPolarHBondContact O-CB 3.41Å; Y824-R833 HydrophobicContact CD1-CG 4.42Å; Y824-R833 HydrophobicContact CE1-CG 3.81Å; Y824-R833 PolarHBondContact O-NH1 3.27Å; Y824-A846 HydrophobicContact CE2-CB 3.98Å; Y824-M847 HydrophobicContact CD2-SD 3.87Å; Y824-M847 HydrophobicContact CE2-CB 4.46Å; Y824-L850 HydrophobicContact CD2-CD2 4.23Å
825	T	96.6	Very high	96.2	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.018	12%	0.124	C	C	.	.	I	π-helix	trans	-89	-39.4	-174.7	-56.7	0	0	0	0	113.1	L741 P742 T821 F822 A823 R833	L741-T825 HydrophobicContact CD2-CG2 3.98Å; P742-T825 VanDerWaalsContact CD-OG1 3.28Å; P742-T825 WeakPolarHBondContact CD-OG1 3.14Å; T821-T825 WeakPolarHBondContact O-CB 3.01Å; T821-T825 PolarHBondContact O-N 2.87Å; T821-T825 VanDerWaalsContact O-N 3.11Å; T821-T825 PolarHBondContact O-OG1 3.37Å; F822-T825 PolarHBondContact O-N 3.15Å; A823-T825 VanDerWaalsContact C-N 3.31Å; A823-T825 PolarHBondContact O-N 3.49Å; T825-R833 PolarHBondContact O-NH1 3.26Å; T825-R833 PolarHBondContact O-NH2 3.2Å
826	W	92.8	Very high	96.1	Very high	107 Å²	107	24.6 Å²	24.6	41%	0.405	12%	0.124	S	C	.	.	I	π-helix	trans	-114	-26	-169.2	-53.8	125.9	0	0	0	114.4	P545 W547 F822	P545-W826 HydrophobicContact CB-CZ2 3.98Å; P545-W826 PolarHBondContact O-NE1 2.95Å; W547-W826 HydrophobicContact CE3-CH2 4.32Å; W547-W826 HydrophobicContact CE3-CZ2 4.32Å; W547-W826 HydrophobicContact CZ3-CH2 4.24Å; F822-W826 WeakPolarHBondContact O-CB 3.41Å; F822-W826 PolarHBondContact O-N 3.34Å
827	E	90.7	Very high	96	Very high	51 Å²	51	27.2 Å²	27.2	24%	0.238	14%	0.138	C	C	.	.	I	π-helix	trans	-98	-40.7	179.8	-58.2	-170.6	-145.3	0	0	112.4	R517 N617 Y819 A823	R517-E827 IonicContact NH2-OE2 3.83Å; R517-E827 PolarHBondContact NH2-OE2 2.96Å; N617-E827 HydrophobicContact CB-CG 4.12Å; N617-E827 WeakPolarHBondContact CB-OE1 3.32Å; Y819-E827 PolarHBondContact OH-OE1 3.48Å; A823-E827 HydrophobicContact CB-CB 4.45Å; A823-E827 HydrophobicContact CB-CG 4.46Å; A823-E827 CarbonylContact O-C 3.43Å; A823-E827 WeakPolarHBondContact O-CA 3.38Å; A823-E827 WeakPolarHBondContact O-CB 3.04Å; A823-E827 PolarHBondContact O-N 3.49Å
828	M	93.1	Very high	95.9	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.03	17%	0.173	C	C	.	.	S	Bend	trans	-65.6	138.6	176.5	-175.5	-172.6	-75	0	0	110.6	A823 Y824 I832 R833 A846 L850	A823-M828 PolarHBondContact O-N 3.31Å; Y824-M828 HydrophobicContact CD2-CE 3.58Å; Y824-M828 HydrophobicContact CD2-SD 4.05Å; Y824-M828 HydrophobicContact CE2-CE 3.8Å; Y824-M828 HydrophobicContact CE2-SD 3.97Å; Y824-M828 HydrophobicContact CG-CE 4.34Å; Y824-M828 HydrophobicContact CG-SD 4.48Å; Y824-M828 WeakPolarHBondContact O-CB 3.41Å; M828-I832 HydrophobicContact CG-CB 4.01Å; M828-I832 HydrophobicContact CG-CD1 3.48Å; M828-I832 VanDerWaalsContact CG-CD1 3.48Å; M828-I832 HydrophobicContact CG-CG1 4.3Å; M828-I832 HydrophobicContact CG-CG2 4.26Å; M828-I832 HydrophobicContact SD-CB 3.78Å; M828-I832 HydrophobicContact SD-CD1 4.06Å; M828-I832 HydrophobicContact SD-CG2 3.42Å; M828-I832 WeakPolarHBondContact SD-CG2 3.24Å; M828-R833 PolarHBondContact O-NH1 3.16Å; M828-A846 HydrophobicContact CE-CB 4.42Å; M828-A846 WeakPolarHBondContact CE-O 3.36Å; M828-L850 HydrophobicContact CB-CD1 4.31Å; M828-L850 HydrophobicContact CE-CB 3.5Å; M828-L850 HydrophobicContact CE-CD1 3.86Å; M828-L850 HydrophobicContact CE-CD2 3.92Å; M828-L850 HydrophobicContact CE-CG 3.94Å
829	S	92.9	Very high	95.5	Very high	33 Å²	33	36.4 Å²	36.4	23%	0.231	18%	0.183	C	C	.	.			trans	-50.7	130.1	176.7	179.8	0	0	0	0	111.7	D831 I832 H897	S829-D831 PolarHBondContact O-N 3.01Å; S829-D831 VanDerWaalsContact O-N 3.14Å; S829-D831 PolarHBondContact OG-N 2.92Å; S829-I832 WeakPolarHBondContact O-CB 3.35Å; S829-I832 PolarHBondContact O-N 3.28Å; S829-H897 WeakPolarHBondContact CB-NE2 3.45Å; S829-H897 PolarHBondContact OG-NE2 3.49Å; S829-H897 VanDerWaalsContact OG-NE2 3.13Å
830	P	94.9	Very high	95.4	Very high	74 Å²	74	38.7 Å²	38.7	48%	0.481	19%	0.193	S	C	.	.	H	α-helix	trans	-55.8	-28.9	174.5	-25.2	34.3	0	0	0	113.4	I832 R833 N834	P830-I832 PolarHBondContact O-N 2.82Å; P830-R833 PolarHBondContact O-N 3.39Å; P830-N834 VanDerWaalsContact O-CG 3.31Å; P830-N834 PolarHBondContact O-N 2.89Å; P830-N834 PolarHBondContact O-ND2 3.07Å
831	D	95.7	Very high	95.2	Very high	87 Å²	87	39.1 Å²	39.1	47%	0.465	20%	0.195	S	C	.	.	H	α-helix	trans	-60.6	-32.9	177.4	-62.8	-28.4	0	0	0	112.1	S829 N834 M835 W893 H897	S829-D831 PolarHBondContact O-N 3.01Å; S829-D831 VanDerWaalsContact O-N 3.14Å; S829-D831 PolarHBondContact OG-N 2.92Å; D831-N834 PolarHBondContact O-N 3.17Å; D831-M835 WeakPolarHBondContact O-CB 3.36Å; D831-M835 PolarHBondContact O-N 3.33Å; D831-W893 HydrophobicContact CB-CH2 4.05Å; D831-W893 HydrophobicContact CB-CZ2 4.41Å; D831-W893 WeakPolarHBondContact O-CH2 3.41Å; D831-H897 IonicContact OD2-CE1 3.18Å
832	I	97.3	Very high	95.1	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-68.3	-44.4	177.9	-63.2	165.4	0	0	0	110.2	M828 S829 P830 N834 M835 V836 A846 W893 L894 Y898	M828-I832 HydrophobicContact CG-CB 4.01Å; M828-I832 HydrophobicContact CG-CD1 3.48Å; M828-I832 VanDerWaalsContact CG-CD1 3.48Å; M828-I832 HydrophobicContact CG-CG1 4.3Å; M828-I832 HydrophobicContact CG-CG2 4.26Å; M828-I832 HydrophobicContact SD-CB 3.78Å; M828-I832 HydrophobicContact SD-CD1 4.06Å; M828-I832 HydrophobicContact SD-CG2 3.42Å; M828-I832 WeakPolarHBondContact SD-CG2 3.24Å; S829-I832 WeakPolarHBondContact O-CB 3.35Å; S829-I832 PolarHBondContact O-N 3.28Å; P830-I832 PolarHBondContact O-N 2.82Å; I832-N834 VanDerWaalsContact C-N 3.31Å; I832-N834 PolarHBondContact O-N 3.15Å; I832-M835 HydrophobicContact CG2-CE 4.24Å; I832-M835 WeakPolarHBondContact O-CB 3.11Å; I832-M835 PolarHBondContact O-N 2.94Å; I832-V836 WeakPolarHBondContact O-CG2 3.47Å; I832-V836 PolarHBondContact O-N 3.37Å; I832-A846 HydrophobicContact CG2-CB 3.86Å; I832-W893 HydrophobicContact CB-CZ3 4.32Å; I832-W893 HydrophobicContact CG1-CH2 4.17Å; I832-W893 HydrophobicContact CG1-CZ3 3.82Å; I832-L894 HydrophobicContact CB-CD2 4.45Å; I832-L894 HydrophobicContact CD1-CD2 4.33Å; I832-L894 HydrophobicContact CG1-CD2 4.02Å; I832-L894 HydrophobicContact CG2-CD2 3.67Å; I832-Y898 HydrophobicContact CD1-CE2 3.73Å
833	R	97	Very high	95.1	Very high	45 Å²	45	39.9 Å²	39.9	17%	0.17	20%	0.199	C	C	.	.	H	α-helix	trans	-66.1	-35.5	176.1	-64.2	-168.4	-63.4	-82	1.2	111.8	N737 Y824 T825 M828 P830 V836 N837	N737-R833 PolarHBondContact ND2-O 2.72Å; Y824-R833 HydrophobicContact CD1-CG 4.42Å; Y824-R833 HydrophobicContact CE1-CG 3.81Å; Y824-R833 PolarHBondContact O-NH1 3.27Å; T825-R833 PolarHBondContact O-NH1 3.26Å; T825-R833 PolarHBondContact O-NH2 3.2Å; M828-R833 PolarHBondContact O-NH1 3.16Å; P830-R833 PolarHBondContact O-N 3.39Å; R833-V836 PolarHBondContact O-N 3.17Å; R833-N837 PolarHBondContact O-N 2.93Å; R833-N837 PolarHBondContact O-ND2 3.49Å
834	N	97.6	Very high	95.2	Very high	82 Å²	82	40.2 Å²	40.2	44%	0.439	20%	0.201	S	C	.	.	H	α-helix	trans	-64.7	-40.9	172.4	-69.2	-21.8	0	0	0	111.7	P830 D831 I832 V836 N837 N838	P830-N834 VanDerWaalsContact O-CG 3.31Å; P830-N834 PolarHBondContact O-N 2.89Å; P830-N834 PolarHBondContact O-ND2 3.07Å; D831-N834 PolarHBondContact O-N 3.17Å; I832-N834 VanDerWaalsContact C-N 3.31Å; I832-N834 PolarHBondContact O-N 3.15Å; N834-V836 PolarHBondContact O-N 3.46Å; N834-N837 PolarHBondContact O-N 2.86Å; N834-N838 WeakPolarHBondContact O-CB 3.48Å; N834-N838 PolarHBondContact O-N 3.44Å; N834-N838 PolarHBondContact O-ND2 3.16Å; N834-N838 PolarHBondContact O-OD1 3.41Å
835	M	97.2	Very high	95.2	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.03	20%	0.201	C	C	.	.	H	α-helix	trans	-58.2	-47.6	173.1	177.2	-80.6	-63.8	0	0	110.9	D831 I832 N837 N838 Y839 C842 C890 W893 L894	D831-M835 WeakPolarHBondContact O-CB 3.36Å; D831-M835 PolarHBondContact O-N 3.33Å; I832-M835 HydrophobicContact CG2-CE 4.24Å; I832-M835 WeakPolarHBondContact O-CB 3.11Å; I832-M835 PolarHBondContact O-N 2.94Å; M835-N837 VanDerWaalsContact C-N 3.29Å; M835-N837 PolarHBondContact O-N 3.28Å; M835-N838 PolarHBondContact O-N 3.02Å; M835-N838 VanDerWaalsContact O-N 3.12Å; M835-Y839 HydrophobicContact CG-CD2 3.65Å; M835-Y839 HydrophobicContact CG-CE2 3.73Å; M835-Y839 WeakPolarHBondContact O-CD2 3.06Å; M835-Y839 PolarHBondContact O-N 2.85Å; M835-Y839 HydrophobicContact SD-CD2 3.59Å; M835-Y839 VanDerWaalsContact SD-CD2 3.59Å; M835-Y839 HydrophobicContact SD-CE2 4.05Å; M835-C842 HydrophobicContact SD-CB 4.32Å; M835-C890 HydrophobicContact SD-CB 4.17Å; M835-C890 VanDerWaalsContact SD-SG 3.65Å; M835-W893 HydrophobicContact CB-CD2 4.35Å; M835-W893 HydrophobicContact CB-CE3 4.02Å; M835-W893 HydrophobicContact CB-CH2 3.85Å; M835-W893 HydrophobicContact CB-CZ2 4.18Å; M835-W893 HydrophobicContact CB-CZ3 3.75Å; M835-W893 HydrophobicContact CE-CE3 3.92Å; M835-W893 HydrophobicContact CE-CZ3 4.05Å; M835-W893 HydrophobicContact CG-CD2 3.83Å; M835-W893 HydrophobicContact CG-CE3 3.64Å; M835-W893 HydrophobicContact CG-CG 4.41Å; M835-W893 HydrophobicContact CG-CH2 4.36Å; M835-W893 HydrophobicContact CG-CZ3 3.91Å; M835-W893 HydrophobicContact SD-CE3 4.47Å; M835-L894 HydrophobicContact CE-CD1 4.16Å; M835-L894 HydrophobicContact CE-CD2 3.83Å; M835-L894 HydrophobicContact CE-CG 3.87Å
836	V	97.2	Very high	95.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-56.6	-43.4	175.4	168.7	0	0	0	0	111.6	L736 N737 I832 R833 N834 F840 N841 E843 A846	L736-V836 HydrophobicContact CB-CG1 4.33Å; N737-V836 WeakPolarHBondContact ND2-CG1 3.25Å; I832-V836 WeakPolarHBondContact O-CG2 3.47Å; I832-V836 PolarHBondContact O-N 3.37Å; R833-V836 PolarHBondContact O-N 3.17Å; N834-V836 PolarHBondContact O-N 3.46Å; V836-F840 WeakPolarHBondContact O-CA 3.41Å; V836-F840 PolarHBondContact O-N 3.45Å; V836-N841 WeakPolarHBondContact CA-O 3.09Å; V836-N841 WeakPolarHBondContact CG1-O 2.99Å; V836-N841 PolarHBondContact O-N 3.18Å; V836-E843 HydrophobicContact CG1-CB 3.69Å; V836-E843 HydrophobicContact CG2-CB 4.46Å; V836-A846 HydrophobicContact CG2-CB 4.21Å
837	N	96.2	Very high	95.6	Very high	55 Å²	55	35 Å²	35	29%	0.294	18%	0.181	S	C	.	.	H	α-helix	trans	-66	-41.1	176.5	-71.6	-23.1	0	0	0	112.5	S735 N737 R833 N834 M835 F840	S735-N837 WeakPolarHBondContact CB-OD1 3.13Å; S735-N837 PolarHBondContact OG-OD1 3.12Å; N737-N837 PolarHBondContact ND2-OD1 3.06Å; R833-N837 PolarHBondContact O-N 2.93Å; R833-N837 PolarHBondContact O-ND2 3.49Å; N834-N837 PolarHBondContact O-N 2.86Å; M835-N837 VanDerWaalsContact C-N 3.29Å; M835-N837 PolarHBondContact O-N 3.28Å; N837-F840 PolarHBondContact O-N 3Å
838	N	95.3	Very high	96	Very high	137 Å²	137	32.8 Å²	32.8	73%	0.733	17%	0.17	S	C	*	.	H	α-helix	trans	-67.6	-41	-178.6	-69.5	-18.2	0	0	0	112.3	N834 M835 F840	N834-N838 WeakPolarHBondContact O-CB 3.48Å; N834-N838 PolarHBondContact O-N 3.44Å; N834-N838 PolarHBondContact O-ND2 3.16Å; N834-N838 PolarHBondContact O-OD1 3.41Å; M835-N838 PolarHBondContact O-N 3.02Å; M835-N838 VanDerWaalsContact O-N 3.12Å; N838-F840 VanDerWaalsContact C-N 3.35Å
839	Y	90.8	Very high	96.2	Very high	71 Å²	71	32.5 Å²	32.5	28%	0.278	17%	0.169	S	C	.	.	H	α-helix	trans	-79.7	-20.8	174.1	-77.3	-80.5	0	0	0	112.6	M835 N841 A886 R889	M835-Y839 HydrophobicContact CG-CD2 3.65Å; M835-Y839 HydrophobicContact CG-CE2 3.73Å; M835-Y839 WeakPolarHBondContact O-CD2 3.06Å; M835-Y839 PolarHBondContact O-N 2.85Å; M835-Y839 HydrophobicContact SD-CD2 3.59Å; M835-Y839 VanDerWaalsContact SD-CD2 3.59Å; M835-Y839 HydrophobicContact SD-CE2 4.05Å; Y839-N841 PolarHBondContact O-N 3.35Å; Y839-A886 HydrophobicContact CD1-CB 4.15Å; Y839-R889 HydrophobicContact CE1-CB 4.13Å
840	F	92.3	Very high	96.4	Very high	51 Å²	51	31.2 Å²	31.2	22%	0.224	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	46.4	-168.4	-159	-100.7	0	0	0	111.1	N734 L736 V836 N837 N838 L877	N734-F840 WeakPolarHBondContact OD1-CZ 3.13Å; L736-F840 HydrophobicContact CD2-CE1 4.48Å; L736-F840 HydrophobicContact CD2-CZ 4.33Å; L736-F840 HydrophobicContact CG-CZ 4.48Å; V836-F840 WeakPolarHBondContact O-CA 3.41Å; V836-F840 PolarHBondContact O-N 3.45Å; N837-F840 PolarHBondContact O-N 3Å; N838-F840 VanDerWaalsContact C-N 3.35Å; F840-L877 HydrophobicContact CD1-CD1 3.81Å; F840-L877 HydrophobicContact CD1-CD2 4.39Å; F840-L877 HydrophobicContact CE1-CD1 4.04Å
841	N	92.2	Very high	96.5	Very high	8 Å²	8	28 Å²	28	4%	0.043	14%	0.138	C	C	.	.			trans	-165.1	-179.7	-175.8	-158.7	-32	0	0	0	108.5	V836 Y839 E843 H883 R887	V836-N841 WeakPolarHBondContact CA-O 3.09Å; V836-N841 WeakPolarHBondContact CG1-O 2.99Å; V836-N841 PolarHBondContact O-N 3.18Å; Y839-N841 PolarHBondContact O-N 3.35Å; N841-E843 VanDerWaalsContact C-N 3.31Å; N841-E843 PolarHBondContact O-N 2.98Å; N841-H883 PolarHBondContact ND2-CE1 3.45Å; N841-H883 PolarHBondContact ND2-ND1 3.3Å; N841-R887 PolarHBondContact OD1-NH1 3.07Å
842	C	96.6	Very high	96.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.			trans	72.7	9.8	164.5	-48.8	0	0	0	0	116.5	M835 D844 I845 A846 C890	M835-C842 HydrophobicContact SD-CB 4.32Å; C842-D844 VanDerWaalsContact C-N 3.25Å; C842-D844 PolarHBondContact O-N 3.38Å; C842-I845 HydrophobicContact CB-CB 4.41Å; C842-I845 HydrophobicContact CB-CD1 4.27Å; C842-I845 PolarHBondContact O-N 3.37Å; C842-A846 WeakPolarHBondContact O-CB 3.06Å; C842-A846 PolarHBondContact O-N 3.29Å; C842-C890 HydrophobicContact CB-CB 3.53Å; C842-C890 WeakPolarHBondContact CB-SG 3.41Å; C842-C890 WeakPolarHBondContact SG-CB 3.48Å; C842-C890 CovalentContact SG-SG 2.02Å; C842-C890 PolarHBondContact SG-SG 3.47Å
843	E	97.2	Very high	96.4	Very high	18 Å²	18	25.3 Å²	25.3	8%	0.084	12%	0.124	C	C	.	.	H	α-helix	trans	-61.7	-37.8	173.3	81.2	-67.7	174.3	0	0	111.3	L736 R739 F740 V836 N841 A846 M847	L736-E843 HydrophobicContact CB-CB 4.17Å; L736-E843 HydrophobicContact CB-CG 4.03Å; L736-E843 WeakPolarHBondContact CD1-OE2 3.23Å; R739-E843 IonicContact NH1-OE1 2.86Å; F740-E843 HydrophobicContact CD2-CB 4.47Å; F740-E843 HydrophobicContact CE2-CB 3.84Å; F740-E843 HydrophobicContact CE2-CG 3.67Å; F740-E843 HydrophobicContact CZ-CG 4.28Å; V836-E843 HydrophobicContact CG1-CB 3.69Å; V836-E843 HydrophobicContact CG2-CB 4.46Å; N841-E843 VanDerWaalsContact C-N 3.31Å; N841-E843 PolarHBondContact O-N 2.98Å; E843-A846 PolarHBondContact O-N 2.71Å; E843-M847 WeakPolarHBondContact O-CB 3.37Å; E843-M847 PolarHBondContact O-N 3.23Å
844	D	97.6	Very high	96.1	Very high	8 Å²	8	24 Å²	24	4%	0.043	12%	0.12	C	C	.	.	H	α-helix	trans	-69.3	-40.9	176.7	64.3	-17.7	0	0	0	112	L810 T811 C842 M847 N848 R887	L810-D844 WeakPolarHBondContact CD2-OD2 3.35Å; T811-D844 HydrophobicContact CG2-CB 4.18Å; T811-D844 WeakPolarHBondContact OG1-CB 3.47Å; C842-D844 VanDerWaalsContact C-N 3.25Å; C842-D844 PolarHBondContact O-N 3.38Å; D844-M847 PolarHBondContact O-N 3.23Å; D844-N848 PolarHBondContact O-N 2.92Å; D844-N848 PolarHBondContact O-ND2 3.43Å; D844-R887 IonicContact OD1-CZ 3.86Å; D844-R887 VanDerWaalsContact OD1-CZ 3.27Å; D844-R887 IonicContact OD1-NH1 3.5Å; D844-R887 PolarHBondContact OD1-NH1 3.11Å; D844-R887 IonicContact OD1-NH2 2.84Å; D844-R887 PolarHBondContact OD1-NH2 3.36Å; D844-R887 IonicContact OD2-CZ 3.87Å; D844-R887 IonicContact OD2-NH1 3.19Å; D844-R887 PolarHBondContact OD2-NH1 2.7Å; D844-R887 IonicContact OD2-NH2 2.99Å; D844-R887 PolarHBondContact OD2-NH2 3.5Å
845	I	98.6	Very high	95.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.4	-46.9	172.9	-60.7	174.4	0	0	0	109.3	Y798 M808 C842 M847 N848 F849 R887 C890 I891 L894	Y798-I845 HydrophobicContact CD2-CD1 4.03Å; Y798-I845 HydrophobicContact CE2-CD1 4.31Å; M808-I845 HydrophobicContact SD-CB 4.48Å; M808-I845 HydrophobicContact SD-CG1 4.08Å; M808-I845 HydrophobicContact SD-CG2 4.16Å; C842-I845 HydrophobicContact CB-CB 4.41Å; C842-I845 HydrophobicContact CB-CD1 4.27Å; C842-I845 PolarHBondContact O-N 3.37Å; I845-M847 VanDerWaalsContact C-N 3.29Å; I845-M847 PolarHBondContact O-N 3.35Å; I845-N848 PolarHBondContact O-N 3.49Å; I845-F849 HydrophobicContact CG2-CD2 3.68Å; I845-F849 HydrophobicContact CG2-CE2 3.67Å; I845-F849 WeakPolarHBondContact O-CD2 3.3Å; I845-F849 PolarHBondContact O-N 3.34Å; I845-R887 HydrophobicContact CD1-CB 3.85Å; I845-R887 HydrophobicContact CD1-CG 4.08Å; I845-R887 VanDerWaalsContact CG1-NH2 3.31Å; I845-C890 HydrophobicContact CD1-CB 4.42Å; I845-I891 HydrophobicContact CD1-CG1 4.27Å; I845-I891 HydrophobicContact CG2-CG1 4.02Å; I845-L894 HydrophobicContact CB-CD1 4.47Å; I845-L894 HydrophobicContact CG2-CD1 3.62Å
846	A	98.6	Very high	95.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59	-41.2	178.4	0	0	0	0	0	111.6	Y824 M828 I832 V836 C842 E843 F849 L850	Y824-A846 HydrophobicContact CE2-CB 3.98Å; M828-A846 HydrophobicContact CE-CB 4.42Å; M828-A846 WeakPolarHBondContact CE-O 3.36Å; I832-A846 HydrophobicContact CG2-CB 3.86Å; V836-A846 HydrophobicContact CG2-CB 4.21Å; C842-A846 WeakPolarHBondContact O-CB 3.06Å; C842-A846 PolarHBondContact O-N 3.29Å; E843-A846 PolarHBondContact O-N 2.71Å; A846-F849 PolarHBondContact O-N 3Å; A846-L850 WeakPolarHBondContact O-CB 3.45Å; A846-L850 PolarHBondContact O-N 3.34Å
847	M	98.6	Very high	95.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.5	-43.4	175.5	-169.9	61.7	165.6	0	0	112.3	F740 T811 F816 Y820 Y824 E843 D844 I845 L850 L851	F740-M847 HydrophobicContact CE1-CG 4.44Å; F740-M847 HydrophobicContact CE2-CB 4.3Å; F740-M847 HydrophobicContact CZ-CB 4.21Å; F740-M847 HydrophobicContact CZ-CG 4.36Å; T811-M847 HydrophobicContact CG2-CB 4.17Å; T811-M847 HydrophobicContact CG2-CG 4.14Å; F816-M847 HydrophobicContact CB-CE 4.39Å; F816-M847 HydrophobicContact CD1-CE 4.23Å; F816-M847 HydrophobicContact CD2-CE 3.6Å; F816-M847 HydrophobicContact CE1-CE 4.42Å; F816-M847 HydrophobicContact CE2-CE 3.85Å; F816-M847 HydrophobicContact CG-CE 3.82Å; F816-M847 HydrophobicContact CZ-CE 4.27Å; Y820-M847 VanDerWaalsContact CB-CE 3.41Å; Y820-M847 HydrophobicContact CG-CE 4.35Å; Y824-M847 HydrophobicContact CD2-SD 3.87Å; Y824-M847 HydrophobicContact CE2-CB 4.46Å; E843-M847 WeakPolarHBondContact O-CB 3.37Å; E843-M847 PolarHBondContact O-N 3.23Å; D844-M847 PolarHBondContact O-N 3.23Å; I845-M847 VanDerWaalsContact C-N 3.29Å; I845-M847 PolarHBondContact O-N 3.35Å; M847-L850 WeakPolarHBondContact O-CB 3.46Å; M847-L850 PolarHBondContact O-N 3.45Å; M847-L850 HydrophobicContact SD-CD2 4.17Å; M847-L851 HydrophobicContact CE-CD1 3.79Å; M847-L851 HydrophobicContact CG-CD1 4.12Å; M847-L851 VanDerWaalsContact O-CD1 3.26Å; M847-L851 WeakPolarHBondContact O-CD1 3.42Å; M847-L851 PolarHBondContact O-N 2.92Å; M847-L851 HydrophobicContact SD-CD1 3.75Å
848	N	98.7	Very high	95.7	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.027	13%	0.13	C	C	.	.	H	α-helix	trans	-63.7	-41.7	175	-79.1	-91.5	0	0	0	112	L779 M808 I809 D844 I845 L850 L851 A852 L903	L779-N848 WeakPolarHBondContact CD2-OD1 3.2Å; M808-N848 VanDerWaalsContact CA-OD1 3.28Å; M808-N848 WeakPolarHBondContact CA-OD1 3.36Å; M808-N848 HydrophobicContact CB-CB 4.37Å; M808-N848 HydrophobicContact CG-CB 3.9Å; I809-N848 PolarHBondContact N-OD1 3.18Å; I809-N848 PolarHBondContact O-ND2 3.34Å; D844-N848 PolarHBondContact O-N 2.92Å; D844-N848 PolarHBondContact O-ND2 3.43Å; I845-N848 PolarHBondContact O-N 3.49Å; N848-L850 VanDerWaalsContact C-N 3.34Å; N848-L850 PolarHBondContact O-N 3.16Å; N848-L851 PolarHBondContact O-N 2.91Å; N848-A852 VanDerWaalsContact O-CB 3.29Å; N848-A852 WeakPolarHBondContact O-CB 3.45Å; N848-A852 PolarHBondContact O-N 3.42Å; N848-L903 HydrophobicContact CB-CD2 3.89Å
849	F	98.4	Very high	95.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.1	-44.8	174.1	-96.1	-111.9	0	0	0	111.5	I845 A846 H853 I891 L894 Y898 P902 L903	I845-F849 HydrophobicContact CG2-CD2 3.68Å; I845-F849 HydrophobicContact CG2-CE2 3.67Å; I845-F849 WeakPolarHBondContact O-CD2 3.3Å; I845-F849 PolarHBondContact O-N 3.34Å; A846-F849 PolarHBondContact O-N 3Å; F849-H853 WeakPolarHBondContact O-CB 3.31Å; F849-H853 PolarHBondContact O-N 3.24Å; F849-I891 HydrophobicContact CE2-CG1 4.49Å; F849-I891 HydrophobicContact CE2-CG2 4.44Å; F849-I891 HydrophobicContact CZ-CG2 4.12Å; F849-L894 HydrophobicContact CD1-CB 3.68Å; F849-L894 HydrophobicContact CD1-CD1 4.26Å; F849-L894 HydrophobicContact CD1-CG 4.44Å; F849-L894 HydrophobicContact CD2-CD1 3.85Å; F849-L894 HydrophobicContact CE1-CB 3.41Å; F849-L894 VanDerWaalsContact CE1-CB 3.41Å; F849-L894 HydrophobicContact CE1-CD1 4.42Å; F849-L894 HydrophobicContact CE1-CG 4.5Å; F849-L894 HydrophobicContact CE2-CB 4.33Å; F849-L894 HydrophobicContact CE2-CD1 4.01Å; F849-L894 HydrophobicContact CG-CB 4.26Å; F849-L894 HydrophobicContact CG-CD1 3.98Å; F849-L894 HydrophobicContact CZ-CB 3.78Å; F849-L894 HydrophobicContact CZ-CD1 4.31Å; F849-Y898 HydrophobicContact CB-CE2 4.23Å; F849-Y898 AromaticContact CD1-CD2 3.88Å; F849-Y898 HydrophobicContact CD1-CD2 3.88Å; F849-Y898 HydrophobicContact CD1-CE2 4.02Å; F849-P902 HydrophobicContact CB-CG 4.21Å; F849-P902 HydrophobicContact CD1-CG 3.38Å; F849-P902 HydrophobicContact CE1-CG 3.94Å; F849-P902 HydrophobicContact CG-CG 3.93Å; F849-L903 HydrophobicContact CD2-CD1 3.91Å; F849-L903 HydrophobicContact CD2-CD2 3.75Å; F849-L903 HydrophobicContact CD2-CG 3.73Å; F849-L903 HydrophobicContact CE2-CD1 3.4Å; F849-L903 HydrophobicContact CE2-CD2 4.12Å; F849-L903 HydrophobicContact CE2-CG 3.59Å; F849-L903 HydrophobicContact CG-CD2 4.4Å; F849-L903 HydrophobicContact CG-CG 4.44Å; F849-L903 HydrophobicContact CZ-CD1 4.13Å; F849-L903 HydrophobicContact CZ-CG 4.17Å
850	L	97.4	Very high	96.2	Very high	6 Å²	6	17.9 Å²	17.9	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	-57.5	-55.1	177.6	-177.1	64.4	0	0	0	111.3	A823 Y824 M828 A846 M847 N848 A852 H853 I854	A823-L850 HydrophobicContact CB-CD2 4.01Å; Y824-L850 HydrophobicContact CD2-CD2 4.23Å; M828-L850 HydrophobicContact CB-CD1 4.31Å; M828-L850 HydrophobicContact CE-CB 3.5Å; M828-L850 HydrophobicContact CE-CD1 3.86Å; M828-L850 HydrophobicContact CE-CD2 3.92Å; M828-L850 HydrophobicContact CE-CG 3.94Å; A846-L850 WeakPolarHBondContact O-CB 3.45Å; A846-L850 PolarHBondContact O-N 3.34Å; M847-L850 WeakPolarHBondContact O-CB 3.46Å; M847-L850 PolarHBondContact O-N 3.45Å; M847-L850 HydrophobicContact SD-CD2 4.17Å; N848-L850 VanDerWaalsContact C-N 3.34Å; N848-L850 PolarHBondContact O-N 3.16Å; L850-A852 PolarHBondContact O-N 2.95Å; L850-H853 PolarHBondContact O-N 2.92Å; L850-I854 HydrophobicContact CD1-CD1 3.58Å; L850-I854 HydrophobicContact CD1-CG1 4.25Å; L850-I854 HydrophobicContact CG-CD1 3.8Å; L850-I854 WeakPolarHBondContact O-CB 3.41Å; L850-I854 VanDerWaalsContact O-CG1 3.25Å; L850-I854 WeakPolarHBondContact O-CG1 3.16Å; L850-I854 PolarHBondContact O-N 3.08Å
851	L	96.5	Very high	96.4	Very high	6 Å²	6	15.6 Å²	15.6	3%	0.031	8%	0.075	C	C	.	.	H	α-helix	trans	-63.7	-46	-176.3	-89	75.4	0	0	0	110.8	L779 Y820 M847 N848 H853 I854 T855	L779-L851 HydrophobicContact CB-CD2 3.91Å; Y820-L851 HydrophobicContact CD1-CD1 3.69Å; Y820-L851 HydrophobicContact CD1-CD2 4.47Å; Y820-L851 HydrophobicContact CD1-CG 3.84Å; Y820-L851 HydrophobicContact CD2-CD1 4.22Å; Y820-L851 HydrophobicContact CD2-CD2 3.96Å; Y820-L851 HydrophobicContact CD2-CG 4.22Å; Y820-L851 HydrophobicContact CE1-CD1 4.15Å; Y820-L851 HydrophobicContact CE1-CD2 4.32Å; Y820-L851 HydrophobicContact CE1-CG 3.75Å; Y820-L851 HydrophobicContact CE2-CD2 3.79Å; Y820-L851 HydrophobicContact CE2-CG 4.13Å; Y820-L851 HydrophobicContact CG-CD1 3.74Å; Y820-L851 HydrophobicContact CG-CD2 4.3Å; Y820-L851 HydrophobicContact CG-CG 4.08Å; M847-L851 HydrophobicContact CE-CD1 3.79Å; M847-L851 HydrophobicContact CG-CD1 4.12Å; M847-L851 VanDerWaalsContact O-CD1 3.26Å; M847-L851 WeakPolarHBondContact O-CD1 3.42Å; M847-L851 PolarHBondContact O-N 2.92Å; M847-L851 HydrophobicContact SD-CD1 3.75Å; N848-L851 PolarHBondContact O-N 2.91Å; L851-H853 VanDerWaalsContact C-N 3.28Å; L851-H853 PolarHBondContact O-N 3.19Å; L851-I854 PolarHBondContact O-N 2.9Å; L851-T855 PolarHBondContact O-N 2.89Å; L851-T855 PolarHBondContact O-OG1 3Å
852	A	96.6	Very high	96.5	Very high	4 Å²	4	15.2 Å²	15.2	3%	0.033	7%	0.073	C	C	.	.	H	α-helix	trans	-64.6	-32.8	178.7	0	0	0	0	0	112.7	N848 L850 R856 P902 L903	N848-A852 VanDerWaalsContact O-CB 3.29Å; N848-A852 WeakPolarHBondContact O-CB 3.45Å; N848-A852 PolarHBondContact O-N 3.42Å; L850-A852 PolarHBondContact O-N 2.95Å; A852-R856 VanDerWaalsContact O-CA 3.28Å; A852-R856 WeakPolarHBondContact O-CA 3.25Å; A852-R856 PolarHBondContact O-N 3.37Å; A852-P902 HydrophobicContact CB-CB 4.37Å; A852-P902 VanDerWaalsContact CB-O 3.31Å; A852-P902 WeakPolarHBondContact CB-O 3.1Å; A852-L903 HydrophobicContact CB-CD2 4.4Å
853	H	94	Very high	96.1	Very high	30 Å²	30	15.5 Å²	15.5	14%	0.139	8%	0.075	C	C	.	.	H	α-helix	trans	-68.3	-43	174.8	-178.4	88.6	0	0	0	111.9	R509 F849 L850 L851 Y898 Y900 P902	R509-H853 PolarHBondContact NH1-O 3.02Å; F849-H853 WeakPolarHBondContact O-CB 3.31Å; F849-H853 PolarHBondContact O-N 3.24Å; L850-H853 PolarHBondContact O-N 2.92Å; L851-H853 VanDerWaalsContact C-N 3.28Å; L851-H853 PolarHBondContact O-N 3.19Å; H853-Y898 HydrophobicContact CB-CE1 4.02Å; H853-Y898 AromaticContact CE1-CD1 3.75Å; H853-Y898 AromaticContact CG-CD1 3.93Å; H853-Y898 AromaticContact CG-CE1 3.62Å; H853-Y898 AromaticContact ND1-CD1 3.38Å; H853-Y898 WeakPolarHBondContact ND1-CD1 3.42Å; H853-Y898 AromaticContact ND1-CE1 3.58Å; H853-Y900 AromaticContact CE1-CE1 3.74Å; H853-Y900 AromaticContact ND1-CE1 3.41Å; H853-Y900 WeakPolarHBondContact ND1-CE1 3.07Å; H853-Y900 AromaticContact ND1-CZ 3.51Å; H853-Y900 PolarHBondContact ND1-OH 2.87Å; H853-P902 HydrophobicContact CB-CB 3.86Å; H853-P902 HydrophobicContact CB-CG 4.25Å
854	I	91.3	Very high	95.6	Very high	17 Å²	17	19.1 Å²	19.1	9%	0.087	10%	0.095	C	C	.	.	H	α-helix	trans	-73.8	-49.4	-176.8	-72.1	179.8	0	0	0	110.8	V615 W627 A823 L850 L851	V615-I854 HydrophobicContact CG1-CB 4.31Å; V615-I854 HydrophobicContact CG1-CG2 3.11Å; W627-I854 HydrophobicContact CH2-CG2 3.98Å; W627-I854 HydrophobicContact CZ2-CG2 4.26Å; A823-I854 HydrophobicContact CB-CD1 4.1Å; L850-I854 HydrophobicContact CD1-CD1 3.58Å; L850-I854 HydrophobicContact CD1-CG1 4.25Å; L850-I854 HydrophobicContact CG-CD1 3.8Å; L850-I854 WeakPolarHBondContact O-CB 3.41Å; L850-I854 VanDerWaalsContact O-CG1 3.25Å; L850-I854 WeakPolarHBondContact O-CG1 3.16Å; L850-I854 PolarHBondContact O-N 3.08Å; L851-I854 PolarHBondContact O-N 2.9Å
855	T	92.2	Very high	95	Very high	22 Å²	22	21.2 Å²	21.2	14%	0.135	10%	0.104	C	C	.	.	H	α-helix	trans	-98.7	-16.6	-168.5	70.9	0	0	0	0	114.1	W627 D777 L851 K857	W627-T855 HydrophobicContact CZ2-CG2 3.98Å; D777-T855 HydrophobicContact CB-CG2 4.48Å; D777-T855 VanDerWaalsContact O-CG2 3.24Å; D777-T855 WeakPolarHBondContact O-CG2 3.08Å; L851-T855 PolarHBondContact O-N 2.89Å; L851-T855 PolarHBondContact O-OG1 3Å; T855-K857 PolarHBondContact O-N 3.02Å; T855-K857 WeakPolarHBondContact OG1-CB 3.5Å; T855-K857 PolarHBondContact OG1-N 3.43Å
856	R	93.2	Very high	94.3	Very high	78 Å²	78	24 Å²	24	29%	0.294	12%	0.115	S	C	.	.			trans	56.7	26	-171.1	-50.7	-61.2	-69	133.6	4	112.9	E506 A852 P902	E506-R856 IonicContact OE2-NE 2.68Å; A852-R856 VanDerWaalsContact O-CA 3.28Å; A852-R856 WeakPolarHBondContact O-CA 3.25Å; A852-R856 PolarHBondContact O-N 3.37Å; R856-P902 PolarHBondContact NH1-O 3.17Å
857	K	95.3	Very high	93.5	Very high	78 Å²	78	26 Å²	26	34%	0.339	13%	0.128	S	C	.	.			trans	-114.9	148.9	177.2	-65	179.1	176.2	-177.9	0	111.4	D777 Q778 T855	D777-K857 VanDerWaalsContact CG-NZ 3.27Å; D777-K857 IonicContact OD1-NZ 2.79Å; D777-K857 PolarHBondContact OD1-NZ 3.46Å; D777-K857 VanDerWaalsContact OD1-NZ 3.1Å; D777-K857 WeakPolarHBondContact OD2-CE 3.45Å; D777-K857 IonicContact OD2-NZ 3.59Å; D777-K857 PolarHBondContact OD2-NZ 3.06Å; Q778-K857 HydrophobicContact CG-CB 3.93Å; Q778-K857 HydrophobicContact CG-CD 3.8Å; T855-K857 PolarHBondContact O-N 3.02Å; T855-K857 WeakPolarHBondContact OG1-CB 3.5Å; T855-K857 PolarHBondContact OG1-N 3.43Å
858	P	97.7	Very high	92.8	Very high	32 Å²	32	28 Å²	28	21%	0.208	14%	0.137	C	C	.	.			trans	-71.9	164.5	168.6	32.3	-35.5	0	0	0	111	Q778 M904	Q778-P858 PolarHBondContact NE2-O 3.3Å; P858-M904 HydrophobicContact CB-CB 3.98Å; P858-M904 WeakPolarHBondContact CB-O 3.5Å
859	P	98.3	Very high	91.9	Very high	8 Å²	8	34.6 Å²	34.6	5%	0.052	17%	0.172	C	C	.	.			trans	-71.5	168.3	167.3	33.4	-36.3	0	0	0	111.5	L779 F806 S807 I809	L779-P859 HydrophobicContact CB-CB 4Å; L779-P859 CarbonylContact O-C 3.26Å; L779-P859 WeakPolarHBondContact O-CA 3.49Å; L779-P859 WeakPolarHBondContact O-CB 3.49Å; F806-P859 HydrophobicContact CD2-CG 4.31Å; F806-P859 HydrophobicContact CE2-CG 4.12Å; F806-P859 WeakPolarHBondContact CE2-O 3.24Å; S807-P859 WeakPolarHBondContact O-CD 3.49Å; I809-P859 HydrophobicContact CB-CB 4.11Å; I809-P859 HydrophobicContact CB-CG 4.49Å; I809-P859 HydrophobicContact CG1-CB 3.66Å; I809-P859 HydrophobicContact CG1-CG 3.96Å
860	I	98.4	Very high	91.1	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.9	177.7	-60.4	179.8	0	0	0	109.9	V771 H775 Q778 L779 V780 G781 Y908 A910	V771-I860 HydrophobicContact CG1-CG2 3.99Å; H775-I860 HydrophobicContact CB-CD1 3.42Å; H775-I860 VanDerWaalsContact CB-CD1 3.42Å; H775-I860 VanDerWaalsContact CD2-CD1 3.48Å; H775-I860 WeakPolarHBondContact CD2-CD1 3.25Å; H775-I860 WeakPolarHBondContact ND1-CD1 3.37Å; Q778-I860 HydrophobicContact CB-CD1 4.39Å; Q778-I860 HydrophobicContact CB-CG1 4.36Å; L779-I860 PolarHBondContact O-N 2.94Å; V780-I860 WeakPolarHBondContact CA-O 3.42Å; V780-I860 HydrophobicContact CG1-CG2 4.48Å; V780-I860 HydrophobicContact CG2-CB 4.16Å; V780-I860 HydrophobicContact CG2-CD1 4.42Å; G781-I860 PolarHBondContact N-O 2.83Å; I860-Y908 HydrophobicContact CG2-CD1 4.31Å; I860-Y908 HydrophobicContact CG2-CE1 4.04Å; I860-A910 HydrophobicContact CG2-CB 4.16Å
861	K	97.2	Very high	90.1	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.017	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	133.1	170.9	-169.1	-166.7	-171.9	-35.9	0	110.2	G781 F782 A784 F806 I809 T863 H865 R909 A910	G781-K861 WeakPolarHBondContact O-CA 3.28Å; F782-K861 PolarHBondContact O-NZ 3.07Å; A784-K861 HydrophobicContact CB-CB 4.42Å; A784-K861 HydrophobicContact CB-CD 3.81Å; A784-K861 HydrophobicContact CB-CG 4.01Å; F806-K861 HydrophobicContact CE1-CB 3.97Å; F806-K861 HydrophobicContact CE2-CB 4.05Å; F806-K861 HydrophobicContact CZ-CB 3.63Å; I809-K861 HydrophobicContact CD1-CB 3.99Å; I809-K861 HydrophobicContact CD1-CG 4.18Å; K861-T863 PolarHBondContact NZ-O 3.35Å; K861-H865 PolarHBondContact NZ-O 3.01Å; K861-R909 HydrophobicContact CB-CG 4.28Å; K861-R909 HydrophobicContact CD-CG 4.11Å; K861-R909 HydrophobicContact CG-CG 4.25Å; K861-R909 WeakPolarHBondContact O-CA 3.43Å; K861-R909 WeakPolarHBondContact O-CG 3.47Å; K861-A910 PolarHBondContact O-N 3.22Å
862	V	95.3	Very high	89.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	149	168.4	-64.9	0	0	0	0	111.3	F767 V771 V780 G781 F782 A910	F767-V862 HydrophobicContact CD1-CB 4.18Å; F767-V862 HydrophobicContact CD1-CG1 4.47Å; F767-V862 HydrophobicContact CE1-CB 3.88Å; F767-V862 HydrophobicContact CE1-CG1 4Å; V771-V862 HydrophobicContact CB-CG1 4.02Å; V771-V862 HydrophobicContact CG1-CG1 3.94Å; V771-V862 HydrophobicContact CG2-CG1 4.02Å; V780-V862 HydrophobicContact CG1-CG1 3.67Å; G781-V862 VanDerWaalsContact O-CG2 3.3Å; G781-V862 WeakPolarHBondContact O-CG2 3.12Å; G781-V862 PolarHBondContact O-N 3.24Å; F782-V862 HydrophobicContact CD1-CG2 3.73Å; F782-V862 HydrophobicContact CD2-CG2 4.33Å; F782-V862 HydrophobicContact CE1-CG2 3.73Å; F782-V862 HydrophobicContact CE2-CG2 4.35Å; F782-V862 HydrophobicContact CG-CG2 4.01Å; F782-V862 HydrophobicContact CZ-CG2 4.05Å; V862-A910 HydrophobicContact CG1-CB 4.23Å
863	T	87.2	Confident	88.2	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.031	25%	0.253	C	S	.	.	S	Bend	trans	57.8	-176.3	171.9	80.4	0	0	0	0	115.3	F767 F782 K861 R909 A910 I930	F767-T863 HydrophobicContact CD1-CG2 3.86Å; F767-T863 HydrophobicContact CE1-CG2 4.28Å; F782-T863 HydrophobicContact CD1-CG2 4.13Å; F782-T863 WeakPolarHBondContact CD1-OG1 3.5Å; F782-T863 HydrophobicContact CE1-CG2 4.01Å; K861-T863 PolarHBondContact NZ-O 3.35Å; T863-R909 WeakPolarHBondContact O-CD 3.37Å; T863-A910 PolarHBondContact N-O 2.95Å; T863-I930 HydrophobicContact CG2-CG2 4.42Å
864	L	86.3	Confident	87.1	Confident	95 Å²	95	53 Å²	53	50%	0.497	29%	0.289	S	S	.	.	S	Bend	trans	-84.6	-12.3	-175.5	-60.3	179.1	0	0	0	115	W866 R909 F915	L864-W866 PolarHBondContact O-N 3.16Å; L864-R909 VanDerWaalsContact CD2-NH1 3.28Å; L864-F915 HydrophobicContact CD1-CZ 4.29Å; L864-F915 HydrophobicContact CD2-CZ 4.45Å; L864-F915 HydrophobicContact CG-CZ 4.5Å
865	H	85.5	Confident	86	Confident	52 Å²	52	56.7 Å²	56.7	24%	0.241	32%	0.317	C	S	.	.			trans	-62	125.7	-175.7	-75.5	-74.6	0	0	0	112.3	E764 F782 K861 F868	E764-H865 IonicContact OE1-CD2 2.88Å; E764-H865 IonicContact OE1-NE2 3.89Å; E764-H865 PolarHBondContact OE1-NE2 3.25Å; E764-H865 IonicContact OE2-NE2 2.64Å; F782-H865 CarbonylContact C-O 3.47Å; F782-H865 HydrophobicContact CB-CB 4.09Å; K861-H865 PolarHBondContact NZ-O 3.01Å; H865-F868 HydrophobicContact CB-CE1 4.09Å; H865-F868 HydrophobicContact CB-CZ 4Å; H865-F868 AromaticContact CE1-CE1 3.85Å; H865-F868 AromaticContact CG-CE1 3.63Å; H865-F868 AromaticContact CG-CZ 3.99Å; H865-F868 AromaticContact ND1-CD1 3.91Å; H865-F868 AromaticContact ND1-CE1 3.48Å; H865-F868 WeakPolarHBondContact ND1-CE1 3.5Å
866	W	82.7	Confident	85.1	Confident	59 Å²	59	57.4 Å²	57.4	22%	0.223	32%	0.321	C	S	.	.	S	Bend	trans	-112.8	-20.7	172.9	-72	100.3	0	0	0	113.2	A784 R785 Y802 M803 L864	A784-W866 HydrophobicContact CB-CE3 4.29Å; A784-W866 HydrophobicContact CB-CZ3 3.83Å; R785-W866 PolarHBondContact NH1-O 3.42Å; R785-W866 PolarHBondContact NH2-O 2.94Å; Y802-W866 HydrophobicContact CD1-CB 3.48Å; Y802-W866 VanDerWaalsContact CD1-CB 3.48Å; Y802-W866 AromaticContact CD1-CD2 3.77Å; Y802-W866 HydrophobicContact CD1-CD2 3.77Å; Y802-W866 HydrophobicContact CD1-CE3 4.05Å; Y802-W866 AromaticContact CD1-CG 3.55Å; Y802-W866 HydrophobicContact CD1-CG 3.55Å; Y802-W866 HydrophobicContact CE1-CB 3.13Å; Y802-W866 HydrophobicContact CE1-CD2 4.38Å; Y802-W866 AromaticContact CE1-CG 3.71Å; Y802-W866 HydrophobicContact CE1-CG 3.71Å; Y802-W866 HydrophobicContact CG-CD2 4.39Å; Y802-W866 HydrophobicContact CG-CG 4.27Å; M803-W866 WeakPolarHBondContact O-CH2 3.3Å; L864-W866 PolarHBondContact O-N 3.16Å
867	S	83.4	Confident	84	Confident	40 Å²	40	56 Å²	56	28%	0.28	32%	0.319	S	S	.	.			trans	-152.5	163.3	174.7	49.1	0	0	0	0	108.2
868	F	83.8	Confident	82.9	Confident	43 Å²	43	56 Å²	56	19%	0.189	32%	0.321	C	S	.	.			trans	-123	127.4	168.6	-63.7	-75.7	0	0	0	106.8	I758 L760 F782 P783 A813 H865	I758-F868 HydrophobicContact CD1-CB 3.42Å; I758-F868 VanDerWaalsContact CD1-CB 3.42Å; I758-F868 HydrophobicContact CD1-CD2 3.65Å; I758-F868 HydrophobicContact CD1-CG 3.71Å; I758-F868 HydrophobicContact CG1-CD2 4.48Å; I758-F868 HydrophobicContact CG2-CD1 3.98Å; I758-F868 HydrophobicContact CG2-CD2 3.89Å; I758-F868 HydrophobicContact CG2-CE1 4.08Å; I758-F868 HydrophobicContact CG2-CE2 3.95Å; I758-F868 HydrophobicContact CG2-CG 3.89Å; I758-F868 HydrophobicContact CG2-CZ 4.07Å; L760-F868 HydrophobicContact CD1-CZ 4.41Å; L760-F868 HydrophobicContact CD2-CE1 3.59Å; L760-F868 HydrophobicContact CD2-CZ 3.64Å; L760-F868 HydrophobicContact CG-CE1 4.05Å; L760-F868 HydrophobicContact CG-CZ 4.04Å; F782-F868 HydrophobicContact CB-CE2 4.17Å; F782-F868 HydrophobicContact CB-CZ 3.84Å; F782-F868 HydrophobicContact CG-CZ 4.27Å; P783-F868 HydrophobicContact CG-CD2 3.75Å; P783-F868 HydrophobicContact CG-CE2 3.38Å; P783-F868 HydrophobicContact CG-CZ 4.39Å; A813-F868 HydrophobicContact CB-CE2 3.74Å; A813-F868 HydrophobicContact CB-CZ 4.18Å; H865-F868 HydrophobicContact CB-CE1 4.09Å; H865-F868 HydrophobicContact CB-CZ 4Å; H865-F868 AromaticContact CE1-CE1 3.85Å; H865-F868 AromaticContact CG-CE1 3.63Å; H865-F868 AromaticContact CG-CZ 3.99Å; H865-F868 AromaticContact ND1-CD1 3.91Å; H865-F868 AromaticContact ND1-CE1 3.48Å; H865-F868 WeakPolarHBondContact ND1-CE1 3.5Å
869	D	79	Confident	81.6	Confident	143 Å²	143	59.5 Å²	59.5	77%	0.765	34%	0.338	S	S	*	.			trans	-96.4	124.1	-179.9	-60.6	-30.6	0	0	0	108.7
870	C	81.5	Confident	80.5	Confident	32 Å²	32	65 Å²	65	22%	0.216	36%	0.357	C	S	.	.			trans	-96.1	96.6	176.3	178.6	0	0	0	0	110.5	D757 Y872 C873	D757-C870 HydrophobicContact CB-CB 4.16Å; C870-Y872 PolarHBondContact O-N 3.12Å; C870-C873 HydrophobicContact CB-CB 3.67Å; C870-C873 WeakPolarHBondContact CB-SG 3.35Å; C870-C873 PolarHBondContact O-N 3.32Å; C870-C873 WeakPolarHBondContact SG-CB 3.5Å; C870-C873 PolarHBondContact SG-N 3.11Å; C870-C873 CovalentContact SG-SG 2.03Å; C870-C873 PolarHBondContact SG-SG 3.28Å
871	V	76.5	Confident	79.5	Confident	128 Å²	128	71.2 Å²	71.2	78%	0.776	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.4	179.8	-177.4	0	0	0	0	112.4
872	Y	76.1	Confident	78.8	Confident	157 Å²	157	74.6 Å²	74.6	62%	0.616	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-0.3	-177.3	-55.9	-68.9	0	0	0	113.9	L686 Q689 C870	L686-Y872 HydrophobicContact CD1-CD2 4.35Å; Q689-Y872 VanDerWaalsContact OE1-CD2 3.25Å; Q689-Y872 VanDerWaalsContact OE1-CE2 3.3Å; C870-Y872 PolarHBondContact O-N 3.12Å
873	C	76.5	Confident	78.2	Confident	27 Å²	27	74.7 Å²	74.7	18%	0.182	42%	0.42	C	S	.	.			trans	-88	127.7	-179.9	-68.1	0	0	0	0	110.2	L686 C870 T876	L686-C873 VanDerWaalsContact CD2-SG 3.51Å; C870-C873 HydrophobicContact CB-CB 3.67Å; C870-C873 WeakPolarHBondContact CB-SG 3.35Å; C870-C873 PolarHBondContact O-N 3.32Å; C870-C873 WeakPolarHBondContact SG-CB 3.5Å; C870-C873 PolarHBondContact SG-N 3.11Å; C870-C873 CovalentContact SG-SG 2.03Å; C870-C873 PolarHBondContact SG-SG 3.28Å; C873-T876 HydrophobicContact CB-CG2 3.8Å
874	G	71	Confident	78.3	Confident	88 Å²	88	80.1 Å²	80.1	91%	0.907	44%	0.44	S	S	*	.	S	Bend	trans	-74.8	-45.6	172	0	0	0	0	0	112.6
875	S	68.3	Low	78.6	Confident	96 Å²	96	78.1 Å²	78.1	67%	0.671	44%	0.438	S	S	*	.			trans	-149.5	140.9	171.8	61.4	0	0	0	0	109.8	D879	S875-D879 VanDerWaalsContact CA-OD2 3.27Å; S875-D879 WeakPolarHBondContact CA-OD2 3.28Å
876	T	73	Confident	78.9	Confident	36 Å²	36	75.9 Å²	75.9	22%	0.221	43%	0.428	C	S	.	.			trans	-110.7	167.1	177.2	71.4	0	0	0	0	111.1	C873 H878 D879	C873-T876 HydrophobicContact CB-CG2 3.8Å; T876-H878 PolarHBondContact O-N 2.75Å; T876-H878 PolarHBondContact OG1-N 2.68Å; T876-D879 PolarHBondContact N-OD2 2.94Å; T876-D879 WeakPolarHBondContact O-CB 3.42Å; T876-D879 PolarHBondContact O-N 2.98Å; T876-D879 VanDerWaalsContact O-N 3.15Å; T876-D879 VanDerWaalsContact OG1-CG 3.28Å; T876-D879 PolarHBondContact OG1-OD1 3.47Å; T876-D879 PolarHBondContact OG1-OD2 3.39Å
877	L	70.2	Confident	79.6	Confident	48 Å²	48	73.2 Å²	73.2	25%	0.251	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-63.1	-24.4	175.1	-168.6	68.1	0	0	0	112.5	L736 F840 D879 R880 H883	L736-L877 HydrophobicContact CD1-CD2 3.97Å; F840-L877 HydrophobicContact CD1-CD1 3.81Å; F840-L877 HydrophobicContact CD1-CD2 4.39Å; F840-L877 HydrophobicContact CE1-CD1 4.04Å; L877-D879 VanDerWaalsContact C-N 3.33Å; L877-R880 VanDerWaalsContact CD1-CZ 3.41Å; L877-H883 PolarHBondContact O-ND1 3.26Å
878	H	72.3	Confident	80.2	Confident	80 Å²	80	72.3 Å²	72.3	37%	0.37	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-75	-19.2	177.3	-66	-72.2	0	0	0	113.3	T876 R880 H883	T876-H878 PolarHBondContact O-N 2.75Å; T876-H878 PolarHBondContact OG1-N 2.68Å; H878-R880 PolarHBondContact O-N 3.29Å; H878-H883 AromaticContact CE1-CE1 3.54Å; H878-H883 AromaticContact CE1-NE2 3.37Å; H878-H883 PolarHBondContact CE1-NE2 3.08Å; H878-H883 AromaticContact CG-CE1 3.82Å; H878-H883 AromaticContact CG-NE2 3.85Å; H878-H883 AromaticContact ND1-CD2 3.59Å; H878-H883 AromaticContact ND1-CE1 3.05Å; H878-H883 PolarHBondContact ND1-CE1 3.4Å; H878-H883 AromaticContact ND1-ND1 3.94Å; H878-H883 AromaticContact ND1-NE2 2.78Å; H878-H883 PolarHBondContact ND1-NE2 3.39Å
879	D	70.3	Confident	80.9	Confident	105 Å²	105	75.9 Å²	75.9	56%	0.561	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-76.8	-6.8	-178.6	-59.8	-21.5	0	0	0	113.4	S875 T876 L877 S881	S875-D879 VanDerWaalsContact CA-OD2 3.27Å; S875-D879 WeakPolarHBondContact CA-OD2 3.28Å; T876-D879 PolarHBondContact N-OD2 2.94Å; T876-D879 WeakPolarHBondContact O-CB 3.42Å; T876-D879 PolarHBondContact O-N 2.98Å; T876-D879 VanDerWaalsContact O-N 3.15Å; T876-D879 VanDerWaalsContact OG1-CG 3.28Å; T876-D879 PolarHBondContact OG1-OD1 3.47Å; T876-D879 PolarHBondContact OG1-OD2 3.39Å; L877-D879 VanDerWaalsContact C-N 3.33Å; D879-S881 PolarHBondContact O-N 3.22Å
880	R	76	Confident	81.8	Confident	124 Å²	124	69 Å²	69	47%	0.468	39%	0.387	S	S	.	.	S	Bend	trans	-65.6	131.9	176.5	-65	-177	179.1	176.6	2.6	110.1	L877 H878 D882 H883	L877-R880 VanDerWaalsContact CD1-CZ 3.41Å; H878-R880 PolarHBondContact O-N 3.29Å; R880-D882 PolarHBondContact O-N 3.36Å; R880-D882 VanDerWaalsContact O-N 3.1Å; R880-H883 HydrophobicContact CB-CB 4.3Å; R880-H883 WeakPolarHBondContact O-CB 3.41Å; R880-H883 PolarHBondContact O-N 2.99Å
881	S	77.2	Confident	82.6	Confident	134 Å²	134	67.5 Å²	67.5	94%	0.937	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.5	-176.4	57.6	0	0	0	0	114	D879	D879-S881 PolarHBondContact O-N 3.22Å
882	D	83.2	Confident	83.6	Confident	74 Å²	74	63.7 Å²	63.7	40%	0.396	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	5.2	179.4	76.2	-41.3	0	0	0	113.5	R880 Y884 A885 A886 R889	R880-D882 PolarHBondContact O-N 3.36Å; R880-D882 VanDerWaalsContact O-N 3.1Å; D882-Y884 PolarHBondContact O-N 3.47Å; D882-A885 PolarHBondContact O-N 3.05Å; D882-A885 VanDerWaalsContact O-N 3.16Å; D882-A886 WeakPolarHBondContact O-CB 3.43Å; D882-A886 PolarHBondContact O-N 3.36Å; D882-R889 IonicContact OD2-NH2 3.71Å
883	H	82.9	Confident	84.5	Confident	3 Å²	3	60.3 Å²	60.3	1%	0.014	34%	0.338	C	S	.	.	H	α-helix	trans	-55.5	-53.2	-170.2	-175.7	90.7	0	0	0	112.7	N841 L877 H878 R880 A885 A886 R887	N841-H883 PolarHBondContact ND2-CE1 3.45Å; N841-H883 PolarHBondContact ND2-ND1 3.3Å; L877-H883 PolarHBondContact O-ND1 3.26Å; H878-H883 AromaticContact CE1-CE1 3.54Å; H878-H883 AromaticContact CE1-NE2 3.37Å; H878-H883 PolarHBondContact CE1-NE2 3.08Å; H878-H883 AromaticContact CG-CE1 3.82Å; H878-H883 AromaticContact CG-NE2 3.85Å; H878-H883 AromaticContact ND1-CD2 3.59Å; H878-H883 AromaticContact ND1-CE1 3.05Å; H878-H883 PolarHBondContact ND1-CE1 3.4Å; H878-H883 AromaticContact ND1-ND1 3.94Å; H878-H883 AromaticContact ND1-NE2 2.78Å; H878-H883 PolarHBondContact ND1-NE2 3.39Å; R880-H883 HydrophobicContact CB-CB 4.3Å; R880-H883 WeakPolarHBondContact O-CB 3.41Å; R880-H883 PolarHBondContact O-N 2.99Å; H883-A885 PolarHBondContact O-N 3.19Å; H883-A886 PolarHBondContact O-N 2.96Å; H883-R887 VanDerWaalsContact NE2-CD 3.29Å; H883-R887 WeakPolarHBondContact NE2-CD 3.25Å; H883-R887 WeakPolarHBondContact O-CG 3.49Å; H883-R887 PolarHBondContact O-N 3.15Å; H883-R887 VanDerWaalsContact O-N 3.1Å
884	Y	89.1	Confident	85.5	Confident	118 Å²	118	59 Å²	59	46%	0.463	33%	0.33	S	S	.	.	H	α-helix	trans	-70.1	-32.1	180	-60.5	-70.6	0	0	0	113.1	Y798 S800 D882 R887 S888	Y798-Y884 AromaticContact CD1-CD1 3.93Å; Y798-Y884 HydrophobicContact CD1-CD1 3.93Å; Y798-Y884 AromaticContact CE1-CD1 3.9Å; Y798-Y884 HydrophobicContact CE1-CD1 3.9Å; Y798-Y884 HydrophobicContact CE1-CE1 4.17Å; S800-Y884 VanDerWaalsContact OG-CE1 3.27Å; S800-Y884 WeakPolarHBondContact OG-CE1 3.37Å; D882-Y884 PolarHBondContact O-N 3.47Å; Y884-R887 PolarHBondContact O-N 2.71Å; Y884-S888 PolarHBondContact O-N 3.22Å; Y884-S888 PolarHBondContact O-OG 3.42Å
885	A	91.6	Very high	86.7	Confident	54 Å²	54	55.9 Å²	55.9	45%	0.446	29%	0.293	S	S	.	.	H	α-helix	trans	-68	-40	174.7	0	0	0	0	0	111.4	D882 H883 S888 R889	D882-A885 PolarHBondContact O-N 3.05Å; D882-A885 VanDerWaalsContact O-N 3.16Å; H883-A885 PolarHBondContact O-N 3.19Å; A885-S888 PolarHBondContact O-N 2.03Å; A885-R889 WeakPolarHBondContact O-CG 3.32Å; A885-R889 PolarHBondContact O-N 3.33Å
886	A	93.3	Very high	88	Confident	4 Å²	4	54.6 Å²	54.6	3%	0.033	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-45.4	171.9	0	0	0	0	0	111.4	Y839 D882 H883 S888 R889 C890	Y839-A886 HydrophobicContact CD1-CB 4.15Å; D882-A886 WeakPolarHBondContact O-CB 3.43Å; D882-A886 PolarHBondContact O-N 3.36Å; H883-A886 PolarHBondContact O-N 2.96Å; A886-S888 PolarHBondContact O-N 3.35Å; A886-R889 WeakPolarHBondContact O-CB 3.5Å; A886-R889 PolarHBondContact O-N 3.38Å; A886-R889 VanDerWaalsContact O-N 3.14Å; A886-C890 PolarHBondContact O-N 3.36Å; A886-C890 PolarHBondContact O-SG 3.36Å
887	R	96.6	Very high	89	Confident	3 Å²	3	56 Å²	56	1%	0.011	29%	0.288	C	S	.	.	H	α-helix	trans	-62.6	-40.1	177.2	-68.4	-178.2	74.5	83.6	-4.4	113	Y798 N841 D844 I845 H883 Y884 C890 I891	Y798-R887 HydrophobicContact CD1-CB 4.21Å; Y798-R887 HydrophobicContact CD2-CB 4.09Å; Y798-R887 VanDerWaalsContact CE2-NH2 3.33Å; Y798-R887 HydrophobicContact CG-CB 3.81Å; Y798-R887 PolarHBondContact OH-NE 3.38Å; Y798-R887 PolarHBondContact OH-NH2 3.14Å; N841-R887 PolarHBondContact OD1-NH1 3.07Å; D844-R887 IonicContact OD1-CZ 3.86Å; D844-R887 VanDerWaalsContact OD1-CZ 3.27Å; D844-R887 IonicContact OD1-NH1 3.5Å; D844-R887 PolarHBondContact OD1-NH1 3.11Å; D844-R887 IonicContact OD1-NH2 2.84Å; D844-R887 PolarHBondContact OD1-NH2 3.36Å; D844-R887 IonicContact OD2-CZ 3.87Å; D844-R887 IonicContact OD2-NH1 3.19Å; D844-R887 PolarHBondContact OD2-NH1 2.7Å; D844-R887 IonicContact OD2-NH2 2.99Å; D844-R887 PolarHBondContact OD2-NH2 3.5Å; I845-R887 HydrophobicContact CD1-CB 3.85Å; I845-R887 HydrophobicContact CD1-CG 4.08Å; I845-R887 VanDerWaalsContact CG1-NH2 3.31Å; H883-R887 VanDerWaalsContact NE2-CD 3.29Å; H883-R887 WeakPolarHBondContact NE2-CD 3.25Å; H883-R887 WeakPolarHBondContact O-CG 3.49Å; H883-R887 PolarHBondContact O-N 3.15Å; H883-R887 VanDerWaalsContact O-N 3.1Å; Y884-R887 PolarHBondContact O-N 2.71Å; R887-C890 WeakPolarHBondContact O-CB 3.24Å; R887-C890 PolarHBondContact O-N 3.46Å; R887-I891 WeakPolarHBondContact O-CG1 3.23Å; R887-I891 PolarHBondContact O-N 3.49Å
888	S	96.9	Very high	90.1	Very high	22 Å²	22	55.6 Å²	55.6	15%	0.154	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-42.3	172.7	-58.7	0	0	0	0	111.8	Y798 Y884 A885 A886 C890 I891 N892	Y798-S888 PolarHBondContact N-OG 2.93Å; Y884-S888 PolarHBondContact O-N 3.22Å; Y884-S888 PolarHBondContact O-OG 3.42Å; A885-S888 PolarHBondContact O-N 2.03Å; A886-S888 PolarHBondContact O-N 3.35Å; S888-C890 VanDerWaalsContact C-N 3.33Å; S888-C890 PolarHBondContact O-N 3.11Å; S888-I891 PolarHBondContact O-N 2.87Å; S888-N892 PolarHBondContact O-N 3.2Å; S888-N892 PolarHBondContact O-ND2 2.98Å
889	R	96.7	Very high	91	Very high	117 Å²	117	52.3 Å²	52.3	44%	0.442	27%	0.271	S	S	.	.	H	α-helix	trans	-60.3	-41.5	172.7	-73.1	-178.4	-72.6	178.7	0.1	112	Y839 D882 A885 A886 N892 W893	Y839-R889 HydrophobicContact CE1-CB 4.13Å; D882-R889 IonicContact OD2-NH2 3.71Å; A885-R889 WeakPolarHBondContact O-CG 3.32Å; A885-R889 PolarHBondContact O-N 3.33Å; A886-R889 WeakPolarHBondContact O-CB 3.5Å; A886-R889 PolarHBondContact O-N 3.38Å; A886-R889 VanDerWaalsContact O-N 3.14Å; R889-N892 PolarHBondContact O-N 2.97Å; R889-W893 WeakPolarHBondContact O-CB 3.46Å; R889-W893 PolarHBondContact O-N 3.05Å
890	C	97.8	Very high	92.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-44.9	176.1	-65.5	0	0	0	0	112.5	M835 C842 I845 A886 R887 S888 N892 W893 L894	M835-C890 HydrophobicContact SD-CB 4.17Å; M835-C890 VanDerWaalsContact SD-SG 3.65Å; C842-C890 HydrophobicContact CB-CB 3.53Å; C842-C890 WeakPolarHBondContact CB-SG 3.41Å; C842-C890 WeakPolarHBondContact SG-CB 3.48Å; C842-C890 CovalentContact SG-SG 2.02Å; C842-C890 PolarHBondContact SG-SG 3.47Å; I845-C890 HydrophobicContact CD1-CB 4.42Å; A886-C890 PolarHBondContact O-N 3.36Å; A886-C890 PolarHBondContact O-SG 3.36Å; R887-C890 WeakPolarHBondContact O-CB 3.24Å; R887-C890 PolarHBondContact O-N 3.46Å; S888-C890 VanDerWaalsContact C-N 3.33Å; S888-C890 PolarHBondContact O-N 3.11Å; C890-N892 PolarHBondContact O-N 3.33Å; C890-W893 PolarHBondContact O-N 3.48Å; C890-L894 WeakPolarHBondContact O-CB 3.46Å; C890-L894 VanDerWaalsContact O-CG 3.26Å; C890-L894 WeakPolarHBondContact O-CG 3.38Å; C890-L894 PolarHBondContact O-N 3.49Å
891	I	98.4	Very high	93.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-45.9	178.3	-66.1	169.8	0	0	0	110.8	H787 W796 Y798 M808 I845 F849 R887 S888 T895	H787-I891 HydrophobicContact CB-CD1 3.82Å; H787-I891 HydrophobicContact CB-CG2 4.46Å; W796-I891 HydrophobicContact CB-CB 4.44Å; W796-I891 HydrophobicContact CB-CG2 3.54Å; W796-I891 HydrophobicContact CG-CG2 4.09Å; Y798-I891 HydrophobicContact CD2-CD1 4.1Å; Y798-I891 HydrophobicContact CG-CD1 4.44Å; M808-I891 HydrophobicContact CE-CD1 4.26Å; I845-I891 HydrophobicContact CD1-CG1 4.27Å; I845-I891 HydrophobicContact CG2-CG1 4.02Å; F849-I891 HydrophobicContact CE2-CG1 4.49Å; F849-I891 HydrophobicContact CE2-CG2 4.44Å; F849-I891 HydrophobicContact CZ-CG2 4.12Å; R887-I891 WeakPolarHBondContact O-CG1 3.23Å; R887-I891 PolarHBondContact O-N 3.49Å; S888-I891 PolarHBondContact O-N 2.87Å; I891-T895 VanDerWaalsContact O-CB 3.28Å; I891-T895 WeakPolarHBondContact O-CB 3.48Å; I891-T895 PolarHBondContact O-N 2.98Å; I891-T895 PolarHBondContact O-OG1 3.21Å
892	N	97.2	Very high	94.1	Very high	48 Å²	48	37.1 Å²	37.1	26%	0.257	19%	0.188	S	C	.	.	H	α-helix	trans	-66.2	-42.2	178.6	-72.1	-72.9	0	0	0	111.9	W796 S888 R889 C890 T895 S896	W796-N892 PolarHBondContact N-OD1 3.26Å; W796-N892 PolarHBondContact O-ND2 3.16Å; S888-N892 PolarHBondContact O-N 3.2Å; S888-N892 PolarHBondContact O-ND2 2.98Å; R889-N892 PolarHBondContact O-N 2.97Å; C890-N892 PolarHBondContact O-N 3.33Å; N892-T895 PolarHBondContact O-N 2.62Å; N892-S896 PolarHBondContact O-N 3.04Å
893	W	96.8	Very high	94.8	Very high	85 Å²	85	34.1 Å²	34.1	32%	0.322	17%	0.171	S	C	.	.	H	α-helix	trans	-62.4	-46.3	177.3	-174	93.1	0	0	0	111.5	D831 I832 M835 R889 C890 S896 H897	D831-W893 HydrophobicContact CB-CH2 4.05Å; D831-W893 HydrophobicContact CB-CZ2 4.41Å; D831-W893 WeakPolarHBondContact O-CH2 3.41Å; I832-W893 HydrophobicContact CB-CZ3 4.32Å; I832-W893 HydrophobicContact CG1-CH2 4.17Å; I832-W893 HydrophobicContact CG1-CZ3 3.82Å; M835-W893 HydrophobicContact CB-CD2 4.35Å; M835-W893 HydrophobicContact CB-CE3 4.02Å; M835-W893 HydrophobicContact CB-CH2 3.85Å; M835-W893 HydrophobicContact CB-CZ2 4.18Å; M835-W893 HydrophobicContact CB-CZ3 3.75Å; M835-W893 HydrophobicContact CE-CE3 3.92Å; M835-W893 HydrophobicContact CE-CZ3 4.05Å; M835-W893 HydrophobicContact CG-CD2 3.83Å; M835-W893 HydrophobicContact CG-CE3 3.64Å; M835-W893 HydrophobicContact CG-CG 4.41Å; M835-W893 HydrophobicContact CG-CH2 4.36Å; M835-W893 HydrophobicContact CG-CZ3 3.91Å; M835-W893 HydrophobicContact SD-CE3 4.47Å; R889-W893 WeakPolarHBondContact O-CB 3.46Å; R889-W893 PolarHBondContact O-N 3.05Å; C890-W893 PolarHBondContact O-N 3.48Å; W893-S896 PolarHBondContact O-N 3.39Å; W893-H897 HydrophobicContact CE3-CB 4.36Å; W893-H897 HydrophobicContact CH2-CB 4.3Å; W893-H897 AromaticContact CH2-ND1 3.73Å; W893-H897 HydrophobicContact CZ3-CB 4.12Å; W893-H897 WeakPolarHBondContact O-CB 3.27Å; W893-H897 PolarHBondContact O-N 3.35Å
894	L	97.4	Very high	95.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-44.1	175.5	-73.3	167.5	0	0	0	111.4	I832 M835 I845 F849 C890 S896 H897 Y898	I832-L894 HydrophobicContact CB-CD2 4.45Å; I832-L894 HydrophobicContact CD1-CD2 4.33Å; I832-L894 HydrophobicContact CG1-CD2 4.02Å; I832-L894 HydrophobicContact CG2-CD2 3.67Å; M835-L894 HydrophobicContact CE-CD1 4.16Å; M835-L894 HydrophobicContact CE-CD2 3.83Å; M835-L894 HydrophobicContact CE-CG 3.87Å; I845-L894 HydrophobicContact CB-CD1 4.47Å; I845-L894 HydrophobicContact CG2-CD1 3.62Å; F849-L894 HydrophobicContact CD1-CB 3.68Å; F849-L894 HydrophobicContact CD1-CD1 4.26Å; F849-L894 HydrophobicContact CD1-CG 4.44Å; F849-L894 HydrophobicContact CD2-CD1 3.85Å; F849-L894 HydrophobicContact CE1-CB 3.41Å; F849-L894 VanDerWaalsContact CE1-CB 3.41Å; F849-L894 HydrophobicContact CE1-CD1 4.42Å; F849-L894 HydrophobicContact CE1-CG 4.5Å; F849-L894 HydrophobicContact CE2-CB 4.33Å; F849-L894 HydrophobicContact CE2-CD1 4.01Å; F849-L894 HydrophobicContact CG-CB 4.26Å; F849-L894 HydrophobicContact CG-CD1 3.98Å; F849-L894 HydrophobicContact CZ-CB 3.78Å; F849-L894 HydrophobicContact CZ-CD1 4.31Å; C890-L894 WeakPolarHBondContact O-CB 3.46Å; C890-L894 VanDerWaalsContact O-CG 3.26Å; C890-L894 WeakPolarHBondContact O-CG 3.38Å; C890-L894 PolarHBondContact O-N 3.49Å; L894-S896 VanDerWaalsContact C-N 3.28Å; L894-S896 PolarHBondContact O-N 2.66Å; L894-H897 PolarHBondContact O-N 2.87Å; L894-H897 VanDerWaalsContact O-N 3.12Å; L894-Y898 HydrophobicContact CD2-CE2 4.26Å; L894-Y898 WeakPolarHBondContact O-CB 3.43Å; L894-Y898 WeakPolarHBondContact O-CD2 3.29Å; L894-Y898 PolarHBondContact O-N 3.22Å
895	T	96.4	Very high	95.9	Very high	22 Å²	22	36 Å²	36	14%	0.135	18%	0.182	C	C	.	.	H	α-helix	trans	-57.1	-43.9	175.9	-62.6	0	0	0	0	111.2	I891 N892 G899 Y900 N901	I891-T895 VanDerWaalsContact O-CB 3.28Å; I891-T895 WeakPolarHBondContact O-CB 3.48Å; I891-T895 PolarHBondContact O-N 2.98Å; I891-T895 PolarHBondContact O-OG1 3.21Å; N892-T895 PolarHBondContact O-N 2.62Å; T895-G899 CarbonylContact O-C 3.54Å; T895-G899 WeakPolarHBondContact O-CA 3.45Å; T895-G899 PolarHBondContact O-N 3.09Å; T895-Y900 PolarHBondContact O-N 3.36Å; T895-Y900 VanDerWaalsContact O-N 3.09Å; T895-N901 HydrophobicContact CG2-CB 4.03Å
896	S	94.2	Very high	96.2	Very high	69 Å²	69	34.2 Å²	34.2	48%	0.483	17%	0.166	S	C	.	.	H	α-helix	trans	-67.4	-38.8	175.7	-174.8	0	0	0	0	112.5	P324 N892 W893 L894 G899	P324-S896 WeakPolarHBondContact CG-O 3.36Å; N892-S896 PolarHBondContact O-N 3.04Å; W893-S896 PolarHBondContact O-N 3.39Å; L894-S896 VanDerWaalsContact C-N 3.28Å; L894-S896 PolarHBondContact O-N 2.66Å; S896-G899 PolarHBondContact O-N 3.11Å
897	H	93.8	Very high	96.4	Very high	67 Å²	67	41.1 Å²	41.1	31%	0.31	20%	0.198	S	C	.	.	H	α-helix	trans	-69	-43.7	-178.7	-168.5	87.2	0	0	0	111.9	S829 D831 W893 L894 G899	S829-H897 WeakPolarHBondContact CB-NE2 3.45Å; S829-H897 PolarHBondContact OG-NE2 3.49Å; S829-H897 VanDerWaalsContact OG-NE2 3.13Å; D831-H897 IonicContact OD2-CE1 3.18Å; W893-H897 HydrophobicContact CE3-CB 4.36Å; W893-H897 HydrophobicContact CH2-CB 4.3Å; W893-H897 AromaticContact CH2-ND1 3.73Å; W893-H897 HydrophobicContact CZ3-CB 4.12Å; W893-H897 WeakPolarHBondContact O-CB 3.27Å; W893-H897 PolarHBondContact O-N 3.35Å; L894-H897 PolarHBondContact O-N 2.87Å; L894-H897 VanDerWaalsContact O-N 3.12Å; H897-G899 VanDerWaalsContact C-N 3.3Å
898	Y	93	Very high	96.2	Very high	39 Å²	39	47 Å²	47	15%	0.153	22%	0.221	C	C	.	.	H	α-helix	trans	-74.2	-19.2	174.7	-82.6	-83.1	0	0	0	113.2	I832 F849 H853 L894 Y900	I832-Y898 HydrophobicContact CD1-CE2 3.73Å; F849-Y898 HydrophobicContact CB-CE2 4.23Å; F849-Y898 AromaticContact CD1-CD2 3.88Å; F849-Y898 HydrophobicContact CD1-CD2 3.88Å; F849-Y898 HydrophobicContact CD1-CE2 4.02Å; H853-Y898 HydrophobicContact CB-CE1 4.02Å; H853-Y898 AromaticContact CE1-CD1 3.75Å; H853-Y898 AromaticContact CG-CD1 3.93Å; H853-Y898 AromaticContact CG-CE1 3.62Å; H853-Y898 AromaticContact ND1-CD1 3.38Å; H853-Y898 WeakPolarHBondContact ND1-CD1 3.42Å; H853-Y898 AromaticContact ND1-CE1 3.58Å; L894-Y898 HydrophobicContact CD2-CE2 4.26Å; L894-Y898 WeakPolarHBondContact O-CB 3.43Å; L894-Y898 WeakPolarHBondContact O-CD2 3.29Å; L894-Y898 PolarHBondContact O-N 3.22Å; Y898-Y900 WeakPolarHBondContact CB-O 3.46Å; Y898-Y900 PolarHBondContact O-N 3.19Å
899	G	92.8	Very high	96.1	Very high	11 Å²	11	50.1 Å²	50.1	11%	0.113	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	2.4	-174	0	0	0	0	0	114.5	L325 S326 L327 T895 S896 H897	L325-G899 VanDerWaalsContact O-CA 3.28Å; L325-G899 WeakPolarHBondContact O-CA 3.42Å; S326-G899 VanDerWaalsContact CA-O 3.25Å; S326-G899 WeakPolarHBondContact CA-O 3.4Å; L327-G899 PolarHBondContact N-O 3.24Å; T895-G899 CarbonylContact O-C 3.54Å; T895-G899 WeakPolarHBondContact O-CA 3.45Å; T895-G899 PolarHBondContact O-N 3.09Å; S896-G899 PolarHBondContact O-N 3.11Å; H897-G899 VanDerWaalsContact C-N 3.3Å
900	Y	94.9	Very high	96	Very high	17 Å²	17	44.9 Å²	44.9	7%	0.067	21%	0.211	C	C	.	.	S	Bend	trans	-165.8	167.8	174.4	78.3	-63.1	0	0	0	109.4	L327 R509 H853 T895 Y898 P902	L327-Y900 HydrophobicContact CB-CG 4.5Å; L327-Y900 HydrophobicContact CD1-CD1 3.49Å; L327-Y900 VanDerWaalsContact CD1-CD1 3.49Å; L327-Y900 HydrophobicContact CD1-CD2 4.18Å; L327-Y900 HydrophobicContact CD1-CE1 3.76Å; L327-Y900 HydrophobicContact CD1-CE2 4.39Å; L327-Y900 HydrophobicContact CD1-CG 3.72Å; L327-Y900 HydrophobicContact CG-CD1 4.17Å; L327-Y900 HydrophobicContact CG-CG 4.34Å; R509-Y900 WeakPolarHBondContact CD-OH 3.31Å; H853-Y900 AromaticContact CE1-CE1 3.74Å; H853-Y900 AromaticContact ND1-CE1 3.41Å; H853-Y900 WeakPolarHBondContact ND1-CE1 3.07Å; H853-Y900 AromaticContact ND1-CZ 3.51Å; H853-Y900 PolarHBondContact ND1-OH 2.87Å; T895-Y900 PolarHBondContact O-N 3.36Å; T895-Y900 VanDerWaalsContact O-N 3.09Å; Y898-Y900 WeakPolarHBondContact CB-O 3.46Å; Y898-Y900 PolarHBondContact O-N 3.19Å; Y900-P902 HydrophobicContact CE1-CB 4.45Å; Y900-P902 HydrophobicContact CE2-CB 3.84Å; Y900-P902 WeakPolarHBondContact O-CD 3.15Å
901	N	96.5	Very high	95.7	Very high	27 Å²	27	46.9 Å²	46.9	14%	0.144	22%	0.222	C	C	.	.			trans	-93.3	111.6	171.6	-169.2	-24.3	0	0	0	109.1	H787 T895 L903	H787-N901 PolarHBondContact CD2-ND2 3.37Å; H787-N901 PolarHBondContact NE2-ND2 3.3Å; T895-N901 HydrophobicContact CG2-CB 4.03Å; N901-L903 VanDerWaalsContact OD1-CB 3.3Å; N901-L903 WeakPolarHBondContact OD1-CB 3.28Å; N901-L903 WeakPolarHBondContact OD1-CG 3.48Å; N901-L903 PolarHBondContact OD1-N 2.78Å
902	P	96.5	Very high	95.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.226	C	C	.	.			trans	-79.1	-16.5	-178.8	32.7	-35.1	0	0	0	113.7	F849 A852 H853 R856 Y900	F849-P902 HydrophobicContact CB-CG 4.21Å; F849-P902 HydrophobicContact CD1-CG 3.38Å; F849-P902 HydrophobicContact CE1-CG 3.94Å; F849-P902 HydrophobicContact CG-CG 3.93Å; A852-P902 HydrophobicContact CB-CB 4.37Å; A852-P902 VanDerWaalsContact CB-O 3.31Å; A852-P902 WeakPolarHBondContact CB-O 3.1Å; H853-P902 HydrophobicContact CB-CB 3.86Å; H853-P902 HydrophobicContact CB-CG 4.25Å; R856-P902 PolarHBondContact NH1-O 3.17Å; Y900-P902 HydrophobicContact CE1-CB 4.45Å; Y900-P902 HydrophobicContact CE2-CB 3.84Å; Y900-P902 WeakPolarHBondContact O-CD 3.15Å
903	L	98.6	Very high	94.6	Very high	10 Å²	10	51.9 Å²	51.9	5%	0.052	25%	0.254	C	S	.	.			trans	-59.2	138.2	-175.4	-66.5	-179.7	0	0	0	110.9	H787 M808 N848 F849 A852 N901	H787-L903 HydrophobicContact CB-CD1 4.26Å; H787-L903 WeakPolarHBondContact CE1-CB 3.22Å; M808-L903 HydrophobicContact CE-CD1 4.35Å; M808-L903 HydrophobicContact CG-CD1 3.84Å; M808-L903 HydrophobicContact CG-CD2 3.97Å; M808-L903 HydrophobicContact SD-CD1 3.75Å; N848-L903 HydrophobicContact CB-CD2 3.89Å; F849-L903 HydrophobicContact CD2-CD1 3.91Å; F849-L903 HydrophobicContact CD2-CD2 3.75Å; F849-L903 HydrophobicContact CD2-CG 3.73Å; F849-L903 HydrophobicContact CE2-CD1 3.4Å; F849-L903 HydrophobicContact CE2-CD2 4.12Å; F849-L903 HydrophobicContact CE2-CG 3.59Å; F849-L903 HydrophobicContact CG-CD2 4.4Å; F849-L903 HydrophobicContact CG-CG 4.44Å; F849-L903 HydrophobicContact CZ-CD1 4.13Å; F849-L903 HydrophobicContact CZ-CG 4.17Å; A852-L903 HydrophobicContact CB-CD2 4.4Å; N901-L903 VanDerWaalsContact OD1-CB 3.3Å; N901-L903 WeakPolarHBondContact OD1-CB 3.28Å; N901-L903 WeakPolarHBondContact OD1-CG 3.48Å; N901-L903 PolarHBondContact OD1-N 2.78Å
904	M	97.5	Very high	93.9	Very high	69 Å²	69	50.5 Å²	50.5	34%	0.34	25%	0.253	S	S	.	.			trans	-116.1	136.4	-178.3	-60.8	-67.4	-72.4	0	0	108.9	S807 P858	S807-M904 WeakPolarHBondContact CA-O 3.38Å; S807-M904 WeakPolarHBondContact CB-O 3.45Å; P858-M904 HydrophobicContact CB-CB 3.98Å; P858-M904 WeakPolarHBondContact CB-O 3.5Å
905	Y	97.9	Very high	93.3	Very high	92 Å²	92	52.7 Å²	52.7	36%	0.361	26%	0.262	S	S	.	.			trans	-76.9	151.2	175	-62.3	-76.4	0	0	0	111.6	H787 F788 F806	H787-Y905 AromaticContact CE1-CE1 3.78Å; H787-Y905 AromaticContact CE1-CE2 4Å; H787-Y905 AromaticContact CE1-CZ 3.5Å; H787-Y905 VanDerWaalsContact CE1-CZ 3.5Å; H787-Y905 AromaticContact ND1-CE1 3.91Å; H787-Y905 AromaticContact ND1-CZ 3.99Å; H787-Y905 AromaticContact NE2-CZ 3.78Å; H787-Y905 PolarHBondContact NE2-OH 3.1Å; H787-Y905 WeakPolarHBondContact O-CE1 3.47Å; H787-Y905 PolarHBondContact O-OH 3.1Å; F788-Y905 HydrophobicContact CD1-CE1 4.16Å; F788-Y905 AromaticContact CE1-CE1 3.95Å; F788-Y905 HydrophobicContact CE1-CE1 3.95Å; F806-Y905 CarbonylContact O-C 3.57Å; F806-Y905 VanDerWaalsContact O-CA 3.31Å; F806-Y905 WeakPolarHBondContact O-CA 3.35Å
906	S	97.7	Very high	92.6	Very high	16 Å²	16	59.5 Å²	59.5	11%	0.112	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-145.4	146.8	172.1	-176.3	0	0	0	0	109.9	E805 F806 Y908	E805-S906 WeakPolarHBondContact CA-O 3.47Å; F806-S906 WeakPolarHBondContact CD1-O 3.46Å; F806-S906 WeakPolarHBondContact CE1-O 3.01Å; F806-S906 PolarHBondContact N-O 3.22Å; F806-S906 PolarHBondContact O-N 3.48Å; S906-Y908 WeakPolarHBondContact OG-CB 3.41Å; S906-Y908 PolarHBondContact OG-N 3.38Å
907	Q	95.9	Very high	92.1	Very high	150 Å²	150	59.2 Å²	59.2	70%	0.701	29%	0.286	S	S	*	.			trans	-112.6	4.4	168	-56.6	-179.9	-13.8	0	0	110.5	C804 E805	C804-Q907 WeakPolarHBondContact O-CG 3.36Å; E805-Q907 HydrophobicContact CB-CG 4.02Å
908	Y	94.2	Very high	91.7	Very high	125 Å²	125	67.6 Å²	67.6	49%	0.49	32%	0.315	S	S	.	.			trans	-84.4	124.8	-176.6	175.8	-96.6	0	0	0	110.8	F806 I860 S906 A910	F806-Y908 VanDerWaalsContact CE1-O 3.3Å; F806-Y908 WeakPolarHBondContact CE1-O 3.3Å; F806-Y908 WeakPolarHBondContact CZ-O 3.43Å; I860-Y908 HydrophobicContact CG2-CD1 4.31Å; I860-Y908 HydrophobicContact CG2-CE1 4.04Å; S906-Y908 WeakPolarHBondContact OG-CB 3.41Å; S906-Y908 PolarHBondContact OG-N 3.38Å; Y908-A910 HydrophobicContact CE1-CB 4.17Å
909	R	93.7	Very high	91	Very high	88 Å²	88	68.4 Å²	68.4	33%	0.332	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.7	168.8	-176.7	-175.8	77.8	-162	2.1	109	K861 T863 L864 D911	K861-R909 HydrophobicContact CB-CG 4.28Å; K861-R909 HydrophobicContact CD-CG 4.11Å; K861-R909 HydrophobicContact CG-CG 4.25Å; K861-R909 WeakPolarHBondContact O-CA 3.43Å; K861-R909 WeakPolarHBondContact O-CG 3.47Å; T863-R909 WeakPolarHBondContact O-CD 3.37Å; L864-R909 VanDerWaalsContact CD2-NH1 3.28Å; R909-D911 IonicContact CZ-OD1 3.17Å; R909-D911 IonicContact CZ-OD2 2.78Å; R909-D911 IonicContact NE-OD1 3.7Å; R909-D911 PolarHBondContact NE-OD1 3.12Å; R909-D911 IonicContact NE-OD2 3.5Å; R909-D911 PolarHBondContact NE-OD2 2.91Å; R909-D911 IonicContact NH2-OD1 3.5Å; R909-D911 IonicContact NH2-OD2 3.31Å; R909-D911 PolarHBondContact NH2-OD2 3.49Å
910	A	94.8	Very high	90.6	Very high	7 Å²	7	72.1 Å²	72.1	6%	0.058	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.7	171.3	0	0	0	0	0	110.3	F767 V771 I860 K861 V862 T863 Y908	F767-A910 WeakPolarHBondContact CE1-O 3.2Å; F767-A910 HydrophobicContact CZ-CB 4.31Å; V771-A910 HydrophobicContact CG1-CB 3.95Å; V771-A910 HydrophobicContact CG2-CB 4Å; I860-A910 HydrophobicContact CG2-CB 4.16Å; K861-A910 PolarHBondContact O-N 3.22Å; V862-A910 HydrophobicContact CG1-CB 4.23Å; T863-A910 PolarHBondContact N-O 2.95Å; Y908-A910 HydrophobicContact CE1-CB 4.17Å
911	D	91.7	Very high	89.6	Confident	42 Å²	42	80.6 Å²	80.6	23%	0.225	39%	0.388	C	S	.	.			trans	-125	167.2	168.1	-69.5	-53.9	0	0	0	109	F767 R909 V913 F915	F767-D911 VanDerWaalsContact CZ-CA 3.49Å; R909-D911 IonicContact CZ-OD1 3.17Å; R909-D911 IonicContact CZ-OD2 2.78Å; R909-D911 IonicContact NE-OD1 3.7Å; R909-D911 PolarHBondContact NE-OD1 3.12Å; R909-D911 IonicContact NE-OD2 3.5Å; R909-D911 PolarHBondContact NE-OD2 2.91Å; R909-D911 IonicContact NH2-OD1 3.5Å; R909-D911 IonicContact NH2-OD2 3.31Å; R909-D911 PolarHBondContact NH2-OD2 3.49Å; D911-V913 PolarHBondContact O-N 2.98Å; D911-F915 HydrophobicContact CB-CB 3.95Å; D911-F915 HydrophobicContact CB-CD1 3.73Å; D911-F915 HydrophobicContact CB-CE1 4.47Å; D911-F915 HydrophobicContact CB-CG 4.06Å
912	S	87.6	Confident	88.5	Confident	13 Å²	13	82 Å²	82	9%	0.091	41%	0.41	C	S	.	.			trans	-57.7	141.6	172.3	-176.1	0	0	0	0	110.6	L914 F915 Y927	S912-L914 PolarHBondContact O-N 3.09Å; S912-F915 WeakPolarHBondContact O-CB 3.47Å; S912-F915 PolarHBondContact O-N 3.15Å; S912-Y927 WeakPolarHBondContact OG-CD2 3.49Å
913	V	84.8	Confident	87.5	Confident	141 Å²	141	86.3 Å²	86.3	86%	0.855	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-31.9	179.5	177.4	0	0	0	0	112.7	D911	D911-V913 PolarHBondContact O-N 2.98Å
914	L	83.1	Confident	86.4	Confident	56 Å²	56	88.6 Å²	88.6	29%	0.293	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	20.5	178.4	-60.2	178.9	0	0	0	113.1	S912 K916 T917 I919 K925	S912-L914 PolarHBondContact O-N 3.09Å; L914-K916 PolarHBondContact O-N 3Å; L914-T917 HydrophobicContact CD2-CG2 4.3Å; L914-T917 WeakPolarHBondContact O-CB 3.42Å; L914-T917 PolarHBondContact O-N 3.14Å; L914-T917 VanDerWaalsContact O-N 3.13Å; L914-I919 HydrophobicContact CD1-CG2 4.4Å; L914-K925 HydrophobicContact CB-CD 4.17Å; L914-K925 HydrophobicContact CB-CG 4.19Å; L914-K925 HydrophobicContact CD1-CG 4.37Å; L914-K925 VanDerWaalsContact O-CE 3.32Å; L914-K925 WeakPolarHBondContact O-CE 3.47Å; L914-K925 PolarHBondContact O-NZ 3.4Å
915	F	83	Confident	85.6	Confident	45 Å²	45	87.5 Å²	87.5	20%	0.197	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	131.7	176.4	177.5	-134.5	0	0	0	110.7	L864 D911 S912 T917 I930	L864-F915 HydrophobicContact CD1-CZ 4.29Å; L864-F915 HydrophobicContact CD2-CZ 4.45Å; L864-F915 HydrophobicContact CG-CZ 4.5Å; D911-F915 HydrophobicContact CB-CB 3.95Å; D911-F915 HydrophobicContact CB-CD1 3.73Å; D911-F915 HydrophobicContact CB-CE1 4.47Å; D911-F915 HydrophobicContact CB-CG 4.06Å; S912-F915 WeakPolarHBondContact O-CB 3.47Å; S912-F915 PolarHBondContact O-N 3.15Å; F915-T917 PolarHBondContact O-N 3.39Å; F915-T917 PolarHBondContact O-OG1 3.3Å; F915-I930 VanDerWaalsContact CD2-C 3.47Å; F915-I930 WeakPolarHBondContact CD2-OXT 3.48Å; F915-I930 WeakPolarHBondContact CE2-OXT 3.46Å; F915-I930 WeakPolarHBondContact CG-OXT 3.44Å
916	K	82.2	Confident	84.7	Confident	166 Å²	166	84.3 Å²	84.3	72%	0.722	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	4.4	-174.3	-64.2	-174.8	176.4	-177.6	0	116.3	L914	L914-K916 PolarHBondContact O-N 3Å
917	T	83.9	Confident	83.9	Confident	63 Å²	63	84.1 Å²	84.1	39%	0.387	42%	0.42	S	S	.	.			trans	-77.5	127.7	174.3	-56.2	0	0	0	0	110.3	L914 F915 I919 K925	L914-T917 HydrophobicContact CD2-CG2 4.3Å; L914-T917 WeakPolarHBondContact O-CB 3.42Å; L914-T917 PolarHBondContact O-N 3.14Å; L914-T917 VanDerWaalsContact O-N 3.13Å; F915-T917 PolarHBondContact O-N 3.39Å; F915-T917 PolarHBondContact O-OG1 3.3Å; T917-I919 HydrophobicContact CG2-CG2 4.46Å; T917-K925 WeakPolarHBondContact O-CE 3.32Å; T917-K925 PolarHBondContact O-NZ 3.11Å
918	R	84.7	Confident	82.9	Confident	243 Å²	243	81.2 Å²	81.2	92%	0.917	41%	0.405	S	S	*	.			trans	-78.2	128.6	170.7	-67.6	-177.5	-177.2	178.7	0.7	108.9
919	I	80.1	Confident	81.9	Confident	55 Å²	55	80.9 Å²	80.9	28%	0.282	40%	0.404	S	S	.	.			trans	-114	149.8	177.3	61.8	175.1	0	0	0	110.7	L914 T917 K923 K925	L914-I919 HydrophobicContact CD1-CG2 4.4Å; T917-I919 HydrophobicContact CG2-CG2 4.46Å; I919-K923 HydrophobicContact CB-CB 4.19Å; I919-K923 VanDerWaalsContact CD1-C 3.44Å; I919-K923 HydrophobicContact CD1-CB 4.2Å; I919-K923 WeakPolarHBondContact CD1-O 3.47Å; I919-K923 HydrophobicContact CG1-CB 4.43Å; I919-K925 HydrophobicContact CD1-CB 4.43Å; I919-K925 HydrophobicContact CD1-CG 3.54Å; I919-K925 HydrophobicContact CG1-CG 4.35Å
920	P	82.8	Confident	80.7	Confident	90 Å²	90	77.4 Å²	77.4	58%	0.584	39%	0.391	S	S	*	.			trans	-58.1	156	177.7	-24.3	32.9	0	0	0	113.5	G922 K923	P920-G922 PolarHBondContact O-N 3.21Å; P920-K923 HydrophobicContact CB-CG 3.94Å; P920-K923 HydrophobicContact CG-CG 4.09Å; P920-K923 WeakPolarHBondContact O-CB 3.32Å; P920-K923 PolarHBondContact O-N 3.45Å
921	L	73.8	Confident	80	Confident	194 Å²	194	80.9 Å²	80.9	100%	1.016	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-24.2	-175.8	-79	149.3	0	0	0	115.5
922	G	73.5	Confident	79.4	Confident	57 Å²	57	82.9 Å²	82.9	59%	0.588	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	11.9	177.6	0	0	0	0	0	115	P920	P920-G922 PolarHBondContact O-N 3.21Å
923	K	75.6	Confident	78.9	Confident	90 Å²	90	86.8 Å²	86.8	39%	0.391	44%	0.436	S	S	.	.			trans	-123.2	144.1	-170.3	-59.3	-70.1	173.4	177.9	0	108.6	L656 I919 P920	L656-K923 HydrophobicContact CD1-CB 3.36Å; L656-K923 HydrophobicContact CD1-CD 3.13Å; L656-K923 HydrophobicContact CD1-CG 3.76Å; L656-K923 HydrophobicContact CD2-CD 3.67Å; L656-K923 HydrophobicContact CG-CB 4.39Å; L656-K923 HydrophobicContact CG-CD 3.23Å; L656-K923 HydrophobicContact CG-CG 4.37Å; I919-K923 HydrophobicContact CB-CB 4.19Å; I919-K923 VanDerWaalsContact CD1-C 3.44Å; I919-K923 HydrophobicContact CD1-CB 4.2Å; I919-K923 WeakPolarHBondContact CD1-O 3.47Å; I919-K923 HydrophobicContact CG1-CB 4.43Å; P920-K923 HydrophobicContact CB-CG 3.94Å; P920-K923 HydrophobicContact CG-CG 4.09Å; P920-K923 WeakPolarHBondContact O-CB 3.32Å; P920-K923 PolarHBondContact O-N 3.45Å
924	Q	76.8	Confident	78.6	Confident	59 Å²	59	83.6 Å²	83.6	28%	0.276	41%	0.411	S	S	.	.			trans	-121.8	145.9	-180	-164.8	178.8	5.5	0	0	111.7	F577 N662	F577-Q924 VanDerWaalsContact CD1-NE2 3.3Å; F577-Q924 VanDerWaalsContact CE1-NE2 3.31Å; N662-Q924 PolarHBondContact ND2-NE2 3.13Å; N662-Q924 VanDerWaalsContact ND2-NE2 3.12Å
925	K	80.1	Confident	78.3	Confident	45 Å²	45	85.4 Å²	85.4	20%	0.196	42%	0.419	C	S	.	.			trans	-84.6	161.7	170.9	-61.8	-169	-175.9	-170.4	0	111.7	N662 L914 T917 I919 Y927	N662-K925 PolarHBondContact ND2-O 3.44Å; N662-K925 PolarHBondContact OD1-O 2.83Å; L914-K925 HydrophobicContact CB-CD 4.17Å; L914-K925 HydrophobicContact CB-CG 4.19Å; L914-K925 HydrophobicContact CD1-CG 4.37Å; L914-K925 VanDerWaalsContact O-CE 3.32Å; L914-K925 WeakPolarHBondContact O-CE 3.47Å; L914-K925 PolarHBondContact O-NZ 3.4Å; T917-K925 WeakPolarHBondContact O-CE 3.32Å; T917-K925 PolarHBondContact O-NZ 3.11Å; I919-K925 HydrophobicContact CD1-CB 4.43Å; I919-K925 HydrophobicContact CD1-CG 3.54Å; I919-K925 HydrophobicContact CG1-CG 4.35Å; K925-Y927 VanDerWaalsContact CB-O 3.28Å; K925-Y927 WeakPolarHBondContact CB-O 3.12Å; K925-Y927 PolarHBondContact O-N 3.18Å
926	C	79.6	Confident	78	Confident	26 Å²	26	88.1 Å²	88.1	18%	0.176	43%	0.433	C	S	.	.	S	Bend	trans	-69.9	-17.1	172.3	-55.9	0	0	0	0	114.2	F661 N662	F661-C926 HydrophobicContact CB-CB 4.28Å; N662-C926 WeakPolarHBondContact OD1-CA 3.43Å; N662-C926 PolarHBondContact OD1-O 3.19Å
927	Y	79.9	Confident	77.7	Confident	12 Å²	12	82.5 Å²	82.5	5%	0.047	41%	0.413	C	S	.	.			trans	-142.6	146.6	176.3	-57.9	-80.9	0	0	0	108.7	L578 D763 V766 F767 R770 S912 K925 I930	L578-Y927 HydrophobicContact CD2-CD1 4.05Å; L578-Y927 HydrophobicContact CD2-CE1 4.31Å; D763-Y927 HydrophobicContact CB-CD1 4.19Å; V766-Y927 HydrophobicContact CG1-CE1 4.32Å; F767-Y927 WeakPolarHBondContact CA-OH 3.48Å; F767-Y927 HydrophobicContact CB-CD1 4.49Å; F767-Y927 HydrophobicContact CB-CE1 3.89Å; F767-Y927 HydrophobicContact CB-CE2 4.32Å; F767-Y927 HydrophobicContact CD2-CD2 4.32Å; F767-Y927 AromaticContact CD2-CE2 3.58Å; F767-Y927 HydrophobicContact CD2-CE2 3.58Å; F767-Y927 AromaticContact CD2-CZ 3.77Å; F767-Y927 HydrophobicContact CE2-CE2 4.43Å; F767-Y927 HydrophobicContact CG-CE2 4.37Å; R770-Y927 WeakPolarHBondContact CD-OH 3.36Å; R770-Y927 PolarHBondContact NE-OH 3.15Å; S912-Y927 WeakPolarHBondContact OG-CD2 3.49Å; K925-Y927 VanDerWaalsContact CB-O 3.28Å; K925-Y927 WeakPolarHBondContact CB-O 3.12Å; K925-Y927 PolarHBondContact O-N 3.18Å; Y927-I930 HydrophobicContact CD1-CD1 4.46Å; Y927-I930 HydrophobicContact CG-CB 4.45Å
928	K	73.9	Confident	77.2	Confident	88 Å²	88	84 Å²	84	38%	0.383	42%	0.415	S	S	.	.	S	Bend	trans	-77.7	-45.3	-177.7	-170.3	177.6	-179.9	-173.5	0	112.1	D573 L574	D573-K928 IonicContact OD1-NZ 2.72Å; D573-K928 PolarHBondContact OD1-NZ 2.84Å; D573-K928 IonicContact OD2-NZ 3.95Å; D573-K928 PolarHBondContact OD2-NZ 2.92Å; L574-K928 HydrophobicContact CD2-CB 4.31Å
929	Y	74.8	Confident	76.6	Confident	119 Å²	119	70.8 Å²	70.8	47%	0.467	37%	0.373	S	S	.	.			trans	-114.9	-14.3	-169.8	-60.9	-61.9	0	0	0	114.9	D573 L574 R761	D573-Y929 PolarHBondContact OD2-OH 2.98Å; L574-Y929 HydrophobicContact CD1-CD2 4.21Å; L574-Y929 HydrophobicContact CD1-CE2 4.34Å; L574-Y929 HydrophobicContact CD2-CD2 3.34Å; L574-Y929 HydrophobicContact CD2-CE2 3.52Å; L574-Y929 HydrophobicContact CG-CD2 3.98Å; L574-Y929 HydrophobicContact CG-CE2 3.83Å; R761-Y929 VanDerWaalsContact NH1-CD2 3.31Å
930	I	68.2	Low	76.3	Confident	14 Å²	14	72.2 Å²	72.2	7%	0.072	38%	0.381	C	S	.	.			trans	-92.3	0	-175.9	-59.6	166.4	0	0	0	113.3	D763 E764 F767 T863 F915 Y927	D763-I930 HydrophobicContact CB-CD1 3.7Å; D763-I930 HydrophobicContact CB-CG1 4.47Å; D763-I930 WeakPolarHBondContact O-CD1 3.2Å; D763-I930 WeakPolarHBondContact OD2-CG1 3.34Å; E764-I930 VanDerWaalsContact CA-CD1 3.43Å; E764-I930 HydrophobicContact CB-CD1 4.15Å; E764-I930 HydrophobicContact CG-CD1 3.61Å; E764-I930 HydrophobicContact CG-CG1 4.04Å; E764-I930 VanDerWaalsContact N-CD1 3.31Å; F767-I930 HydrophobicContact CB-CD1 4Å; F767-I930 HydrophobicContact CD1-CG2 4.2Å; F767-I930 HydrophobicContact CG-CG2 4.29Å; T863-I930 HydrophobicContact CG2-CG2 4.42Å; F915-I930 VanDerWaalsContact CD2-C 3.47Å; F915-I930 WeakPolarHBondContact CD2-OXT 3.48Å; F915-I930 WeakPolarHBondContact CE2-OXT 3.46Å; F915-I930 WeakPolarHBondContact CG-OXT 3.44Å; Y927-I930 HydrophobicContact CD1-CD1 4.46Å; Y927-I930 HydrophobicContact CG-CB 4.45Å

Retrieved 930 of 930 residues in 2092.7 ms (Link to these results)

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